smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C(=O)[O-])C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC001594757733 981681295 /nfs/dbraw/zinc/68/12/95/981681295.db2.gz MXSZFTBBFXHRAO-SECBINFHSA-N -1 0 331.122 2.407 20 5 EEBDRM CC[C@H](C)C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(=O)[O-] ZINC001594954112 982684710 /nfs/dbraw/zinc/68/47/10/982684710.db2.gz ZBXQYDMQWXPGOZ-CABZTGNLSA-N -1 0 344.389 2.300 20 5 EEBDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC001599888205 984662237 /nfs/dbraw/zinc/66/22/37/984662237.db2.gz FEMDPGNDLYBTGT-LLVKDONJSA-N -1 0 331.328 2.049 20 5 EEBDRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC001596875716 985721749 /nfs/dbraw/zinc/72/17/49/985721749.db2.gz KJCTXGJNEJUHRX-LLVKDONJSA-N -1 0 344.751 2.118 20 5 EEBDRM Cc1c(Br)cc(C(=O)NC2(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001599970424 985997230 /nfs/dbraw/zinc/99/72/30/985997230.db2.gz IUKDSJPKWSKUMP-UHFFFAOYSA-N -1 0 343.133 2.013 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001597563390 988314607 /nfs/dbraw/zinc/31/46/07/988314607.db2.gz IPOWXZQDWMOKRW-UHFFFAOYSA-N -1 0 329.312 2.432 20 5 EEBDRM CSc1nnc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])s1 ZINC001599829290 988644987 /nfs/dbraw/zinc/64/49/87/988644987.db2.gz RRAJKTKLMOKDSB-UHFFFAOYSA-N -1 0 326.359 2.479 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001599877300 989436332 /nfs/dbraw/zinc/43/63/32/989436332.db2.gz PVKAOBFNXHGXAO-NXEZZACHSA-N -1 0 331.328 2.401 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001597899032 989768224 /nfs/dbraw/zinc/76/82/24/989768224.db2.gz BOHUSOPKIIDJIG-NSHDSACASA-N -1 0 344.327 2.030 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)n1 ZINC001597899549 989770827 /nfs/dbraw/zinc/77/08/27/989770827.db2.gz LNYDUGWRQKPBEX-UHFFFAOYSA-N -1 0 332.316 2.081 20 5 EEBDRM CCn1nncc1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001597975425 990036784 /nfs/dbraw/zinc/03/67/84/990036784.db2.gz DFEYEYGZSJKWDT-UHFFFAOYSA-N -1 0 325.712 2.170 20 5 EEBDRM CC(C)(C)c1ccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1[N+](=O)[O-] ZINC001590475653 990050159 /nfs/dbraw/zinc/05/01/59/990050159.db2.gz RGBLRQZRGXJZFS-YABSGUDNSA-N -1 0 332.356 2.295 20 5 EEBDRM CC(C)(CS(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001590812199 990644029 /nfs/dbraw/zinc/64/40/29/990644029.db2.gz KOPLZEXQJJPYGB-UHFFFAOYSA-N -1 0 337.737 2.068 20 5 EEBDRM CC(C)(NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCOCC1 ZINC001590858257 990745076 /nfs/dbraw/zinc/74/50/76/990745076.db2.gz BUXPUCBUICWAQB-UHFFFAOYSA-N -1 0 336.344 2.228 20 5 EEBDRM CC(C)[C@]1(C)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001591061861 991505430 /nfs/dbraw/zinc/50/54/30/991505430.db2.gz PHWCKWATDVFXNC-JSGCOSHPSA-N -1 0 342.373 2.006 20 5 EEBDRM COc1cncc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC001599726756 991640167 /nfs/dbraw/zinc/64/01/67/991640167.db2.gz SVPXOJCDQOMVDX-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM C[S@@](=O)C1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001599776451 992308576 /nfs/dbraw/zinc/30/85/76/992308576.db2.gz WJZNKLWDRBKMBV-OAQYLSRUSA-N -1 0 332.765 2.269 20 5 EEBDRM CN(Cc1cccnc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598532215 992796028 /nfs/dbraw/zinc/79/60/28/992796028.db2.gz XNIAVMZWRYUMFK-UHFFFAOYSA-N -1 0 331.328 2.085 20 5 EEBDRM COc1ccc(NC(=O)N2CCC(CC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC001599591906 993695684 /nfs/dbraw/zinc/69/56/84/993695684.db2.gz MIJKAVQYKKJQTQ-UHFFFAOYSA-N -1 0 337.332 2.322 20 5 EEBDRM C[C@@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1cccc([N+](=O)[O-])c1 ZINC001593098685 993726232 /nfs/dbraw/zinc/72/62/32/993726232.db2.gz MHYUCPIWVPNCLA-SECBINFHSA-N -1 0 333.300 2.446 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NCc2cccs2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169722 994021669 /nfs/dbraw/zinc/02/16/69/994021669.db2.gz CWZQCXVCYYXUEM-SECBINFHSA-N -1 0 349.368 2.471 20 5 EEBDRM COc1cccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)c1[N+](=O)[O-] ZINC001599640732 994355080 /nfs/dbraw/zinc/35/50/80/994355080.db2.gz KVPRPICAPHNLHT-UHFFFAOYSA-N -1 0 348.286 2.474 20 5 EEBDRM COc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001599642785 994382662 /nfs/dbraw/zinc/38/26/62/994382662.db2.gz SNZOQHYDSOHYJN-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM C[C@](NCc1cn2ccnc2s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593309982 994769517 /nfs/dbraw/zinc/76/95/17/994769517.db2.gz DNGKQHIBYJSEIC-OAHLLOKOSA-N -1 0 346.368 2.394 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC001599195021 997199624 /nfs/dbraw/zinc/19/96/24/997199624.db2.gz OHQZZFUUFBOTJO-CQSZACIVSA-N -1 0 337.357 2.275 20 5 EEBDRM CO[C@H]1COCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599137346 998065478 /nfs/dbraw/zinc/06/54/78/998065478.db2.gz AWAJSCKUQOJLDU-KWQFWETISA-N -1 0 344.751 2.410 20 5 EEBDRM CC1=C(C(=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1CC1CC1 ZINC001594098332 998080989 /nfs/dbraw/zinc/08/09/89/998080989.db2.gz SGYMXHBFSWCSDY-CQSZACIVSA-N -1 0 331.328 2.430 20 5 EEBDRM COc1cc(C(=O)NCC2(CC(=O)[O-])CCCC2)ccc1[N+](=O)[O-] ZINC001599354292 998151420 /nfs/dbraw/zinc/15/14/20/998151420.db2.gz OYOSWQLLRCLTQY-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM COC(=O)c1cccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001598995066 998772187 /nfs/dbraw/zinc/77/21/87/998772187.db2.gz XDYFEZSPQUZTIX-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM CO[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC001599027200 999024244 /nfs/dbraw/zinc/02/42/44/999024244.db2.gz OOKRXKZKIQPFID-CQSZACIVSA-N -1 0 346.295 2.325 20 5 EEBDRM C[C@@H]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594359515 999359054 /nfs/dbraw/zinc/35/90/54/999359054.db2.gz INRZHWZGFTYLSS-ZJUUUORDSA-N -1 0 342.373 2.008 20 5 EEBDRM C[C@H]1CCn2cc(C(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)nc2C1 ZINC001594452767 999653480 /nfs/dbraw/zinc/65/34/80/999653480.db2.gz YFDRKRTTZJZHHH-VIFPVBQESA-N -1 0 345.311 2.291 20 5 EEBDRM Nc1c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC000192941582 237351075 /nfs/dbraw/zinc/35/10/75/237351075.db2.gz QCNOYZJSVAFMQH-LLVKDONJSA-N -1 0 327.296 2.006 20 5 EEBDRM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029955533 201065421 /nfs/dbraw/zinc/06/54/21/201065421.db2.gz UNUHXOPVDWRPKN-UHFFFAOYSA-N -1 0 327.296 2.437 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000261609634 201194414 /nfs/dbraw/zinc/19/44/14/201194414.db2.gz AWRWNJRXKPDMOO-GXSJLCMTSA-N -1 0 338.385 2.500 20 5 EEBDRM COC1(C(F)(F)F)CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000416271494 239152906 /nfs/dbraw/zinc/15/29/06/239152906.db2.gz XFWQLKAVEHVGLM-UHFFFAOYSA-N -1 0 348.277 2.484 20 5 EEBDRM O=C(NCc1ccc(OC(F)F)cn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000447188572 242252595 /nfs/dbraw/zinc/25/25/95/242252595.db2.gz YFLQAANIFMELLB-UHFFFAOYSA-N -1 0 339.254 2.227 20 5 EEBDRM C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[C@@H]1C(=O)[O-] ZINC000262908836 245245271 /nfs/dbraw/zinc/24/52/71/245245271.db2.gz IOLWRBKJWRLQOS-MFKMUULPSA-N -1 0 345.355 2.188 20 5 EEBDRM O=C([O-])c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)s1 ZINC000103926801 204088657 /nfs/dbraw/zinc/08/86/57/204088657.db2.gz FMMDYPODGONKLM-UHFFFAOYSA-N -1 0 332.135 2.362 20 5 EEBDRM CC(C)(CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263173679 245352063 /nfs/dbraw/zinc/35/20/63/245352063.db2.gz YYPWHFOMORWOHC-UHFFFAOYSA-N -1 0 335.360 2.400 20 5 EEBDRM CCC[C@@](C)(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000236981585 204241694 /nfs/dbraw/zinc/24/16/94/204241694.db2.gz BXGOBEBNBYNHDF-MRXNPFEDSA-N -1 0 346.343 2.154 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000236996491 204259418 /nfs/dbraw/zinc/25/94/18/204259418.db2.gz UECGXILUCGEGMZ-HZMBPMFUSA-N -1 0 346.343 2.010 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)n2)c([N+](=O)[O-])c1 ZINC000162387960 255806062 /nfs/dbraw/zinc/80/60/62/255806062.db2.gz QNURSGDHBIMYJO-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000347372929 304267909 /nfs/dbraw/zinc/26/79/09/304267909.db2.gz QUJCOGYCHVQNLP-UHFFFAOYSA-N -1 0 343.339 2.064 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000190848534 256003403 /nfs/dbraw/zinc/00/34/03/256003403.db2.gz ASKCKUVWLSCPAJ-BONVTDFDSA-N -1 0 343.339 2.490 20 5 EEBDRM CN(CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000273254829 256281337 /nfs/dbraw/zinc/28/13/37/256281337.db2.gz DYUIFFQXOWRGSM-UHFFFAOYSA-N -1 0 325.321 2.106 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C(C)(C)C(=O)[O-] ZINC000262491371 152283909 /nfs/dbraw/zinc/28/39/09/152283909.db2.gz WNTHGSCCNNPPCD-VIFPVBQESA-N -1 0 326.374 2.397 20 5 EEBDRM C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])NC(=O)c1ccccc1 ZINC000092546405 159222598 /nfs/dbraw/zinc/22/25/98/159222598.db2.gz UIJBZUNHANZBBZ-NSHDSACASA-N -1 0 343.339 2.448 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000237341444 160221089 /nfs/dbraw/zinc/22/10/89/160221089.db2.gz OAKZBSFMQOQATA-LLVKDONJSA-N -1 0 343.339 2.410 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000237978388 160226734 /nfs/dbraw/zinc/22/67/34/160226734.db2.gz LHHVSHCPXOGVLZ-UHFFFAOYSA-N -1 0 343.339 2.441 20 5 EEBDRM COCC(C)(C)CCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000344887164 161253862 /nfs/dbraw/zinc/25/38/62/161253862.db2.gz QJCVEIDOOBXGST-UHFFFAOYSA-N -1 0 348.396 2.465 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C)c(C)nn2)cc1C ZINC000345873693 161338834 /nfs/dbraw/zinc/33/88/34/161338834.db2.gz DNLBRQLGSKQBPR-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM COCc1cccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000347511288 161459128 /nfs/dbraw/zinc/45/91/28/161459128.db2.gz FCVXJTQOAIVWCN-UHFFFAOYSA-N -1 0 344.323 2.369 20 5 EEBDRM Cn1ccc2c(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cccc2c1=O ZINC000355807292 163308176 /nfs/dbraw/zinc/30/81/76/163308176.db2.gz QZXOIEKAJICXRC-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000362473557 164689622 /nfs/dbraw/zinc/68/96/22/164689622.db2.gz OBJXDTDGOQUFEM-UHFFFAOYSA-N -1 0 333.344 2.309 20 5 EEBDRM O=C(N[C@@H]1CCc2ccccc2OC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000374876472 167058828 /nfs/dbraw/zinc/05/88/28/167058828.db2.gz MYIWGNFXGGMMKO-CYBMUJFWSA-N -1 0 328.324 2.424 20 5 EEBDRM C[C@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000362634201 298767355 /nfs/dbraw/zinc/76/73/55/298767355.db2.gz DKKIREXPGZFDPO-VXGBXAGGSA-N -1 0 349.387 2.282 20 5 EEBDRM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000274984745 269081836 /nfs/dbraw/zinc/08/18/36/269081836.db2.gz DMLISERPCNVTKS-RNCFNFMXSA-N -1 0 344.389 2.023 20 5 EEBDRM Cc1cc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000277736465 269176762 /nfs/dbraw/zinc/17/67/62/269176762.db2.gz UYBNPRDZJNEAHF-UHFFFAOYSA-N -1 0 333.266 2.299 20 5 EEBDRM CCOC(=O)C(C)(C)O[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000295698107 293792091 /nfs/dbraw/zinc/79/20/91/293792091.db2.gz NYOUPKHXYIEMEG-UHFFFAOYSA-N -1 0 338.360 2.262 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2ccc3c(n2)CCC3)ccc1[N+](=O)[O-] ZINC000296833703 294078760 /nfs/dbraw/zinc/07/87/60/294078760.db2.gz WRWIFFTULJSHFB-UHFFFAOYSA-N -1 0 349.368 2.288 20 5 EEBDRM CC(C)(CO)O[N-]C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000297268840 294197691 /nfs/dbraw/zinc/19/76/91/294197691.db2.gz RVQNMOTXEGRPMK-UHFFFAOYSA-N -1 0 334.781 2.159 20 5 EEBDRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299424290 294739902 /nfs/dbraw/zinc/73/99/02/294739902.db2.gz USKWZFZMTSLPAD-MRVPVSSYSA-N -1 0 329.740 2.281 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000355475013 301012584 /nfs/dbraw/zinc/01/25/84/301012584.db2.gz SUJMGPFQXLNFBF-VIFPVBQESA-N -1 0 342.373 2.165 20 5 EEBDRM C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000322280644 311598194 /nfs/dbraw/zinc/59/81/94/311598194.db2.gz NPTBYHBEVSWBJX-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM Cc1ccc(-c2cc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)n[nH]2)o1 ZINC000350910866 312351745 /nfs/dbraw/zinc/35/17/45/312351745.db2.gz QMDWUVITXNMKPY-UHFFFAOYSA-N -1 0 341.287 2.337 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000431655706 314648608 /nfs/dbraw/zinc/64/86/08/314648608.db2.gz PBYGSYGZQBOAFK-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436944882 315015504 /nfs/dbraw/zinc/01/55/04/315015504.db2.gz CTUJXBQODOINOX-UHFFFAOYSA-N -1 0 330.296 2.301 20 5 EEBDRM O=C(Nc1cccc(N2CCNC2=O)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436952783 315015691 /nfs/dbraw/zinc/01/56/91/315015691.db2.gz YNJNVRGQRVMUBU-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000436971461 315017779 /nfs/dbraw/zinc/01/77/79/315017779.db2.gz IZNHOGRNZKJZNH-ZDUSSCGKSA-N -1 0 342.307 2.217 20 5 EEBDRM CC(C)(C)OC(=O)NCc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000496850984 316297217 /nfs/dbraw/zinc/29/72/17/316297217.db2.gz YQZBNVIOZKTUQG-UHFFFAOYSA-N -1 0 336.304 2.375 20 5 EEBDRM Cc1cc(NC[C@H](CO)Cc2ccco2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516972676 316623972 /nfs/dbraw/zinc/62/39/72/316623972.db2.gz FYXAMQOCLURUQX-LLVKDONJSA-N -1 0 334.328 2.458 20 5 EEBDRM CC(=O)N1CCc2c1cccc2NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000545305212 318215737 /nfs/dbraw/zinc/21/57/37/318215737.db2.gz GBEVNTQBBSBYIX-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM CCCN(CC1CC1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000564326685 319078443 /nfs/dbraw/zinc/07/84/43/319078443.db2.gz MLTXEJCJVPYSAG-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM O=C([O-])c1ccnc(N[C@H]2CCO[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000566293471 319270453 /nfs/dbraw/zinc/27/04/53/319270453.db2.gz UNWPUNWBNDGSMO-LKFCYVNXSA-N -1 0 339.373 2.155 20 5 EEBDRM CC(C)CC[C@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567052815 319343629 /nfs/dbraw/zinc/34/36/29/319343629.db2.gz KCFQUKHZZCLZPD-JTQLQIEISA-N -1 0 344.389 2.396 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000569922919 319620926 /nfs/dbraw/zinc/62/09/26/319620926.db2.gz CHTKSVXNFKKPDP-GFCCVEGCSA-N -1 0 342.373 2.020 20 5 EEBDRM C[C@@H]1CCCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000573809025 319968825 /nfs/dbraw/zinc/96/88/25/319968825.db2.gz WRYUXHRNJUFFFH-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM CC[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000574316465 320015047 /nfs/dbraw/zinc/01/50/47/320015047.db2.gz HUFMEUYHQXFHFK-SNVBAGLBSA-N -1 0 342.373 2.022 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000576878364 320212007 /nfs/dbraw/zinc/21/20/07/320212007.db2.gz ACGKIGUHBANLBT-KRWDZBQOSA-N -1 0 344.371 2.352 20 5 EEBDRM CC(C)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000582908224 324556087 /nfs/dbraw/zinc/55/60/87/324556087.db2.gz ORAOKYPDKAIWPZ-NSHDSACASA-N -1 0 342.373 2.102 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000230922489 464205979 /nfs/dbraw/zinc/20/59/79/464205979.db2.gz PPDDDARHTJZNPD-RQJHMYQMSA-N -1 0 330.138 2.418 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccsc1 ZINC000358397223 465099378 /nfs/dbraw/zinc/09/93/78/465099378.db2.gz WNXOTLHRVKASLH-LBPRGKRZSA-N -1 0 336.325 2.006 20 5 EEBDRM Cn1cc(-c2ncccc2NC(=O)c2cccc([N+](=O)[O-])c2[O-])cn1 ZINC000590551984 468270311 /nfs/dbraw/zinc/27/03/11/468270311.db2.gz VSXVWVOLEIVDGX-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2c(O)cccc2Cl)ccc1[O-] ZINC000590597552 468281225 /nfs/dbraw/zinc/28/12/25/468281225.db2.gz BZBCOCSLZNKRCY-UHFFFAOYSA-N -1 0 344.732 2.460 20 5 EEBDRM O=C(NC[C@@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000088429539 462630392 /nfs/dbraw/zinc/63/03/92/462630392.db2.gz HQGWRVKKUQZHGE-CQSZACIVSA-N -1 0 330.340 2.196 20 5 EEBDRM C[C@@H](N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000093882661 463051187 /nfs/dbraw/zinc/05/11/87/463051187.db2.gz XSTQYONGQRDGBW-SNVBAGLBSA-N -1 0 333.310 2.369 20 5 EEBDRM O=C1CCc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2N1 ZINC000157910745 463184669 /nfs/dbraw/zinc/18/46/69/463184669.db2.gz ZBXKBEZZQIPCEW-UHFFFAOYSA-N -1 0 347.352 2.280 20 5 EEBDRM Cc1cccn2cc(CCNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)nc12 ZINC000097112854 463328608 /nfs/dbraw/zinc/32/86/08/463328608.db2.gz QEECCOXYTOHEJG-UHFFFAOYSA-N -1 0 340.339 2.229 20 5 EEBDRM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000124209307 463399357 /nfs/dbraw/zinc/39/93/57/463399357.db2.gz PLUQWPSDUWMSAR-NSHDSACASA-N -1 0 348.396 2.057 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000083955497 463568371 /nfs/dbraw/zinc/56/83/71/463568371.db2.gz HSMFSKVCXSEWIQ-UHFFFAOYSA-N -1 0 340.386 2.433 20 5 EEBDRM Cn1cnnc1-c1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164180908 463616473 /nfs/dbraw/zinc/61/64/73/463616473.db2.gz UFDGUQQBTZBDFJ-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM Cc1ccc([C@@H]2COCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])o1 ZINC000152162016 463655748 /nfs/dbraw/zinc/65/57/48/463655748.db2.gz VUEGFNBTKDRSOJ-ZDUSSCGKSA-N -1 0 332.312 2.416 20 5 EEBDRM C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000262094219 463944320 /nfs/dbraw/zinc/94/43/20/463944320.db2.gz BFBQADIPLJWVER-ZETCQYMHSA-N -1 0 334.250 2.454 20 5 EEBDRM CCC[C@@H](NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262189482 463968567 /nfs/dbraw/zinc/96/85/67/463968567.db2.gz UDNJQMKQPMUUSH-SECBINFHSA-N -1 0 342.373 2.308 20 5 EEBDRM COc1ccc2c(c1)[nH]nc2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000195000156 463973475 /nfs/dbraw/zinc/97/34/75/463973475.db2.gz OGJJYKFPSHEDEY-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM O=C(NCCc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000172041741 463975903 /nfs/dbraw/zinc/97/59/03/463975903.db2.gz KHEKSTNVNYGTQC-UHFFFAOYSA-N -1 0 328.324 2.208 20 5 EEBDRM COc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000263282840 464077287 /nfs/dbraw/zinc/07/72/87/464077287.db2.gz XOWWGOMVDOVTQA-MWLCHTKSSA-N -1 0 336.344 2.237 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nncn3c2)c1C ZINC000180113904 464245630 /nfs/dbraw/zinc/24/56/30/464245630.db2.gz RPAPSZFUBDVZJQ-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1noc([C@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000286469133 464929946 /nfs/dbraw/zinc/92/99/46/464929946.db2.gz QAROAJNKIZBANC-GFCCVEGCSA-N -1 0 332.316 2.359 20 5 EEBDRM CC(=O)Nc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356357105 465334833 /nfs/dbraw/zinc/33/48/33/465334833.db2.gz IONHETOOOZMQTM-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM CCCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC)C(=O)[O-] ZINC000359088509 465376595 /nfs/dbraw/zinc/37/65/95/465376595.db2.gz PHQDQVAZRBAPOH-LBPRGKRZSA-N -1 0 344.389 2.079 20 5 EEBDRM CC(C)C[C@H]1C[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC(=O)N1 ZINC000361664046 466186965 /nfs/dbraw/zinc/18/69/65/466186965.db2.gz ZGQPPNWPXJJYKB-JQWIXIFHSA-N -1 0 335.360 2.180 20 5 EEBDRM COc1cc([C@H]2NC(=O)c3cccc(OC)c3O2)cc([N+](=O)[O-])c1[O-] ZINC000340676352 466256168 /nfs/dbraw/zinc/25/61/68/466256168.db2.gz NARVLTQWECDFFA-INIZCTEOSA-N -1 0 346.295 2.139 20 5 EEBDRM COC[C@@](C)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000340679621 466257902 /nfs/dbraw/zinc/25/79/02/466257902.db2.gz NXFOEZNVUZGOJZ-MRXNPFEDSA-N -1 0 334.328 2.434 20 5 EEBDRM CCO[C@@H](CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(C)C ZINC000569366863 468481207 /nfs/dbraw/zinc/48/12/07/468481207.db2.gz NYXAAJBGYLWFSJ-LBPRGKRZSA-N -1 0 325.365 2.860 20 5 EEBDRM CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331975473 466329985 /nfs/dbraw/zinc/32/99/85/466329985.db2.gz XEBPPGUULPXSPC-BHYGNILZSA-N -1 0 336.388 2.316 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)c([N+](=O)[O-])c1 ZINC000320968265 466616123 /nfs/dbraw/zinc/61/61/23/466616123.db2.gz KHCNZSMNCVIHFK-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM COc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000324594817 466648204 /nfs/dbraw/zinc/64/82/04/466648204.db2.gz FIZVWKJWQVNKIM-UHFFFAOYSA-N -1 0 330.296 2.335 20 5 EEBDRM Cc1c(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000398892264 467451512 /nfs/dbraw/zinc/45/15/12/467451512.db2.gz ZOKKLQOTLBKFNS-ZWNOBZJWSA-N -1 0 335.360 2.155 20 5 EEBDRM Cc1ccc(-c2cc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)[nH]n2)o1 ZINC000447797358 467588498 /nfs/dbraw/zinc/58/84/98/467588498.db2.gz JAXBAHLHWHPZSY-UHFFFAOYSA-N -1 0 328.284 2.844 20 5 EEBDRM CC[C@H](C)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000520575564 468258814 /nfs/dbraw/zinc/25/88/14/468258814.db2.gz USPPFJNGJTWQBC-IUCAKERBSA-N -1 0 330.362 2.006 20 5 EEBDRM Cc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C(=O)[O-])cc1C ZINC000556140853 468511030 /nfs/dbraw/zinc/51/10/30/468511030.db2.gz QIVTYQIWGVETLD-CQSZACIVSA-N -1 0 331.328 2.106 20 5 EEBDRM Cc1cc(N2CCC(n3cc(C(=O)[O-])cn3)CC2)ncc1[N+](=O)[O-] ZINC000569976999 468573371 /nfs/dbraw/zinc/57/33/71/468573371.db2.gz DGBQVXWADVEBIX-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM C[C@H](Cc1ccco1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600881696 468674579 /nfs/dbraw/zinc/67/45/79/468674579.db2.gz OUGKGYNNRDZIKR-DIFFPNOSSA-N -1 0 346.339 2.483 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000592420931 468694736 /nfs/dbraw/zinc/69/47/36/468694736.db2.gz PWLWPKCHEOKPSK-PWSUYJOCSA-N -1 0 333.344 2.152 20 5 EEBDRM COc1cc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000595244892 468791883 /nfs/dbraw/zinc/79/18/83/468791883.db2.gz LINZGDNQXNIQFX-HZRBXJLLSA-N -1 0 336.344 2.367 20 5 EEBDRM COc1cc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc([N+](=O)[O-])c1C ZINC000595253063 468793553 /nfs/dbraw/zinc/79/35/53/468793553.db2.gz VHWNDCSUEOINNV-GFCCVEGCSA-N -1 0 336.344 2.143 20 5 EEBDRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000595252490 468793578 /nfs/dbraw/zinc/79/35/78/468793578.db2.gz ZWAABXCWIUOECB-WBMJQRKESA-N -1 0 331.328 2.449 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000595252267 468793707 /nfs/dbraw/zinc/79/37/07/468793707.db2.gz WHNYAKJCGBUDOB-XJKSGUPXSA-N -1 0 335.360 2.156 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3ccccc3)C2)n1 ZINC000595280392 468799367 /nfs/dbraw/zinc/79/93/67/468799367.db2.gz FZECRVALMZGINN-GFCCVEGCSA-N -1 0 329.312 2.346 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)CC1CC1 ZINC000584634888 468908242 /nfs/dbraw/zinc/90/82/42/468908242.db2.gz PJVPHODBBIKQKH-GFCCVEGCSA-N -1 0 345.355 2.236 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598660491 468949791 /nfs/dbraw/zinc/94/97/91/468949791.db2.gz TWMAELVZOIWPSL-MNOVXSKESA-N -1 0 331.328 2.449 20 5 EEBDRM O=[N+]([O-])c1ncccc1S(=O)(=O)NCC[C@@H]1CCc2ccccc21 ZINC000562552006 468990044 /nfs/dbraw/zinc/99/00/44/468990044.db2.gz SBRWJTWIDBMWFH-ZDUSSCGKSA-N -1 0 347.396 2.388 20 5 EEBDRM COc1ccc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c(C)c1 ZINC000573092664 469059494 /nfs/dbraw/zinc/05/94/94/469059494.db2.gz DGICSRLUVSXIHC-UHFFFAOYSA-N -1 0 331.328 2.926 20 5 EEBDRM COC(=O)c1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000595988335 469107443 /nfs/dbraw/zinc/10/74/43/469107443.db2.gz HLRMDDUIRJITQV-LLVKDONJSA-N -1 0 338.316 2.067 20 5 EEBDRM COC[C@@H](C)Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596012282 469118595 /nfs/dbraw/zinc/11/85/95/469118595.db2.gz UJUBAQWGPHJTDH-DAGBOUIGSA-N -1 0 347.327 2.380 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](C)Oc2ccccc2F)n1 ZINC000563208084 469199393 /nfs/dbraw/zinc/19/93/93/469199393.db2.gz PAFOPVFDVMSIDU-SNVBAGLBSA-N -1 0 349.318 3.015 20 5 EEBDRM CCC[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])OCC ZINC000599368580 469230763 /nfs/dbraw/zinc/23/07/63/469230763.db2.gz YQUNRUUPSIYJCC-JTQLQIEISA-N -1 0 334.369 2.217 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000616331249 469425002 /nfs/dbraw/zinc/42/50/02/469425002.db2.gz QHKIRKJCYHEXKG-LLVKDONJSA-N -1 0 344.389 2.084 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000619467792 469616719 /nfs/dbraw/zinc/61/67/19/469616719.db2.gz FEFFHMILAXCULE-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000191674159 534379296 /nfs/dbraw/zinc/37/92/96/534379296.db2.gz KXWZWBDTLODCDG-QMMMGPOBSA-N -1 0 347.327 2.431 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263095877 536886676 /nfs/dbraw/zinc/88/66/76/536886676.db2.gz JKABQMXTNMDBNL-UWVGGRQHSA-N -1 0 337.332 2.178 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C)coc1CC(=O)[O-] ZINC000263066808 536955168 /nfs/dbraw/zinc/95/51/68/536955168.db2.gz XUGZDEXXHACJRB-UHFFFAOYSA-N -1 0 348.311 2.062 20 5 EEBDRM Cc1c(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000738260978 578006551 /nfs/dbraw/zinc/00/65/51/578006551.db2.gz HZARTQKKXATFMZ-NSHDSACASA-N -1 0 339.304 2.041 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000738351876 578010403 /nfs/dbraw/zinc/01/04/03/578010403.db2.gz OIUSBMIGGQNMAJ-UHFFFAOYSA-N -1 0 334.284 2.442 20 5 EEBDRM COC[C@@H]1CCCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737751187 576072804 /nfs/dbraw/zinc/07/28/04/576072804.db2.gz CUFXCCQOMCMJJG-SECBINFHSA-N -1 0 339.304 2.064 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000734876532 577333005 /nfs/dbraw/zinc/33/30/05/577333005.db2.gz DEXXXWUXVOZMPD-ZDUSSCGKSA-N -1 0 328.328 2.206 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000774094212 577382924 /nfs/dbraw/zinc/38/29/24/577382924.db2.gz JDUHFDDPUNWCGV-UHFFFAOYSA-N -1 0 344.389 2.099 20 5 EEBDRM CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770859243 577604933 /nfs/dbraw/zinc/60/49/33/577604933.db2.gz WHWQJTPHCRSZTC-OQLLNIDSSA-N -1 0 341.323 2.416 20 5 EEBDRM O=C([N-]N1CCc2ccccc2C1=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000762646454 577705212 /nfs/dbraw/zinc/70/52/12/577705212.db2.gz VCRGTJMCFDPFPL-UHFFFAOYSA-N -1 0 329.287 2.077 20 5 EEBDRM O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000763223687 577717167 /nfs/dbraw/zinc/71/71/67/577717167.db2.gz FHQBDJKEDOXDNR-WQAKAFBOSA-N -1 0 340.426 2.410 20 5 EEBDRM CCc1cccnc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751596379 577755911 /nfs/dbraw/zinc/75/59/11/577755911.db2.gz KTDPQEXGCLXWEQ-UHFFFAOYSA-N -1 0 325.321 2.492 20 5 EEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cnc(C)nc2)cc1[N+](=O)[O-] ZINC000753080413 577781204 /nfs/dbraw/zinc/78/12/04/577781204.db2.gz QUIFTEODXGKZFS-UHFFFAOYSA-N -1 0 342.764 2.456 20 5 EEBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000754747346 577811935 /nfs/dbraw/zinc/81/19/35/577811935.db2.gz LAIAUKRZKWLFPM-UHFFFAOYSA-N -1 0 344.414 2.319 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000744152475 577893669 /nfs/dbraw/zinc/89/36/69/577893669.db2.gz QAVTYKBMSCYPEQ-AWEZNQCLSA-N -1 0 346.364 2.048 20 5 EEBDRM Cc1noc(CCCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000738947673 578032151 /nfs/dbraw/zinc/03/21/51/578032151.db2.gz NGAZPOGBJNDHTD-ALCCZGGFSA-N -1 0 332.316 2.429 20 5 EEBDRM O=C([O-])COc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000739835192 578069373 /nfs/dbraw/zinc/06/93/73/578069373.db2.gz XBGOSKMDQQGOLJ-UHFFFAOYSA-N -1 0 348.286 2.127 20 5 EEBDRM O=C([O-])N1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000740305886 578089637 /nfs/dbraw/zinc/08/96/37/578089637.db2.gz NFRZMEASYSJEBY-SNVBAGLBSA-N -1 0 334.332 2.034 20 5 EEBDRM CC(C)(C(=O)Nc1cccc(NC(=O)[O-])c1)n1cc([N+](=O)[O-])cn1 ZINC000736230139 578188737 /nfs/dbraw/zinc/18/87/37/578188737.db2.gz CITBAVCBPXJUIR-UHFFFAOYSA-N -1 0 333.304 2.255 20 5 EEBDRM C[C@@H](CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736563885 578211442 /nfs/dbraw/zinc/21/14/42/578211442.db2.gz WFZOVFLKZDZBDE-NSHDSACASA-N -1 0 336.344 2.075 20 5 EEBDRM C[C@@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000736826295 578225895 /nfs/dbraw/zinc/22/58/95/578225895.db2.gz VFTZAQJUYZPFIX-SSDOTTSWSA-N -1 0 327.318 2.143 20 5 EEBDRM COc1ccc(-c2noc(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)n2)cn1 ZINC000737912007 578272715 /nfs/dbraw/zinc/27/27/15/578272715.db2.gz IXPBATWLWMGYCA-UHFFFAOYSA-N -1 0 342.267 2.414 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000036966050 597223330 /nfs/dbraw/zinc/22/33/30/597223330.db2.gz QGPOUJBWQJYVDD-SNVBAGLBSA-N -1 0 345.149 2.196 20 5 EEBDRM CNC(=O)c1ccc(N[C@@H](Cc2ccccc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000820640468 598180405 /nfs/dbraw/zinc/18/04/05/598180405.db2.gz ALHDOXOOYCKOBC-AWEZNQCLSA-N -1 0 343.339 2.062 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000833318967 600902178 /nfs/dbraw/zinc/90/21/78/600902178.db2.gz ADFFDGTXMLSHTE-UHFFFAOYSA-N -1 0 336.281 2.336 20 5 EEBDRM Cn1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000833047818 601320419 /nfs/dbraw/zinc/32/04/19/601320419.db2.gz SSHSXOIMJLCGQB-UHFFFAOYSA-N -1 0 335.341 2.362 20 5 EEBDRM C[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccncc1 ZINC000827497156 601324606 /nfs/dbraw/zinc/32/46/06/601324606.db2.gz KTVUFRGSKUGJBD-SNVBAGLBSA-N -1 0 329.312 2.222 20 5 EEBDRM CCCCC[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000829340470 601403525 /nfs/dbraw/zinc/40/35/25/601403525.db2.gz PSYQENLJLBGSNU-ZDUSSCGKSA-N -1 0 344.389 2.048 20 5 EEBDRM CC[C@@H]1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829133819 601563054 /nfs/dbraw/zinc/56/30/54/601563054.db2.gz FRIAMLSVFKCUKG-GHMZBOCLSA-N -1 0 335.360 2.034 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832476536 601821577 /nfs/dbraw/zinc/82/15/77/601821577.db2.gz PQFUBNDSOCDFTL-CQSZACIVSA-N -1 0 348.286 2.298 20 5 EEBDRM O=C([O-])c1ccc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)s1 ZINC000833317959 601890550 /nfs/dbraw/zinc/89/05/50/601890550.db2.gz QDMYIZMBXPXMNK-UHFFFAOYSA-N -1 0 331.309 2.113 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@H]2CCCc3n[nH]cc32)cc([N+](=O)[O-])c1 ZINC000833301665 602038345 /nfs/dbraw/zinc/03/83/45/602038345.db2.gz UYYJLIBVNQNYAO-NSHDSACASA-N -1 0 330.300 2.075 20 5 EEBDRM Cc1nn(CN(CC(=O)[O-])CC(F)(F)F)c2ccc([N+](=O)[O-])cc12 ZINC000833016738 602187033 /nfs/dbraw/zinc/18/70/33/602187033.db2.gz FDBLMDIHIJYXMN-UHFFFAOYSA-N -1 0 346.265 2.159 20 5 EEBDRM COC(=O)c1cc(N2CCC3(C[C@H]3C(=O)[O-])CC2)cc(C)c1[N+](=O)[O-] ZINC000831252167 602318243 /nfs/dbraw/zinc/31/82/43/602318243.db2.gz QFLFNNQJNKEHQJ-ZDUSSCGKSA-N -1 0 348.355 2.381 20 5 EEBDRM C[C@@H]1CN(CCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000828451941 604263511 /nfs/dbraw/zinc/26/35/11/604263511.db2.gz XMXQEOQPRYKNBU-SECBINFHSA-N -1 0 343.767 2.079 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000833209733 604530308 /nfs/dbraw/zinc/53/03/08/604530308.db2.gz MDHNGYYVHWLITQ-JTQLQIEISA-N -1 0 341.751 2.397 20 5 EEBDRM CC(C)(C)OC(=O)N1CC(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833432279 605185881 /nfs/dbraw/zinc/18/58/81/605185881.db2.gz HFGYCFQQPASVLP-UHFFFAOYSA-N -1 0 337.332 2.324 20 5 EEBDRM CC(=O)NC1CCC(N(C)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833396287 605385990 /nfs/dbraw/zinc/38/59/90/605385990.db2.gz QKIWVVVWBXMXFV-UHFFFAOYSA-N -1 0 335.360 2.177 20 5 EEBDRM COCC1(C)CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000262886639 688614298 /nfs/dbraw/zinc/61/42/98/688614298.db2.gz YMNTTZATXPPKFT-UHFFFAOYSA-N -1 0 336.344 2.182 20 5 EEBDRM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073067709 1193334214 /nfs/dbraw/zinc/33/42/14/1193334214.db2.gz KTRQXXJYXPVQCF-UHFFFAOYSA-N -1 0 346.299 2.051 20 5 EEBDRM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000083955102 1211514462 /nfs/dbraw/zinc/51/44/62/1211514462.db2.gz XITRCPLESOFJKH-UHFFFAOYSA-N -1 0 341.776 2.483 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903616855 1241186676 /nfs/dbraw/zinc/18/66/76/1241186676.db2.gz MFWDXLVLPSMSDN-AAEUAGOBSA-N -1 0 326.324 2.379 20 5 EEBDRM C[C@H](CCNC(=O)OC(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000860956297 1295189997 /nfs/dbraw/zinc/18/99/97/1295189997.db2.gz DIEPEAUSLNBXBC-SECBINFHSA-N -1 0 327.337 2.383 20 5 EEBDRM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780324940 1299623150 /nfs/dbraw/zinc/62/31/50/1299623150.db2.gz CMMBPFGOAWODPQ-UHFFFAOYSA-N -1 0 346.299 2.051 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1[n-]c(=O)nc2ccccc21 ZINC001226977434 1301634753 /nfs/dbraw/zinc/63/47/53/1301634753.db2.gz QBMPFUNTWJDJMM-VIFPVBQESA-N -1 0 329.316 2.216 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1n[n-]c(=O)c(Cl)c1Cl ZINC001227602117 1301904854 /nfs/dbraw/zinc/90/48/54/1301904854.db2.gz NINWPXXWNKZMOK-RXMQYKEDSA-N -1 0 348.146 2.370 20 5 EEBDRM C[C@@H]1c2cnccc2C[C@@H]1Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228609761 1302335650 /nfs/dbraw/zinc/33/56/50/1302335650.db2.gz HZKZPFWKCIJECI-PELKAZGASA-N -1 0 328.328 2.470 20 5 EEBDRM COc1cccc(OC[C@@H](C)Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001229382980 1302755389 /nfs/dbraw/zinc/75/53/89/1302755389.db2.gz YDVXFTWYRDJIDI-SECBINFHSA-N -1 0 335.316 2.254 20 5 EEBDRM O=C([O-])CC[C@@H](O)C(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001230768675 1303443051 /nfs/dbraw/zinc/44/30/51/1303443051.db2.gz OFXVINZGXNTCJG-MRVPVSSYSA-N -1 0 338.099 2.033 20 5 EEBDRM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1[N+](=O)[O-] ZINC000782812309 1304126184 /nfs/dbraw/zinc/12/61/84/1304126184.db2.gz XUFWQBXWSJBMCH-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM COC(=O)[C@](C)(COC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1 ZINC000783147212 1304196931 /nfs/dbraw/zinc/19/69/31/1304196931.db2.gz LIRJXEOCGSHLNL-MRXNPFEDSA-N -1 0 332.312 2.211 20 5 EEBDRM O=C(N[C@@H](CCO)Cc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000799801921 1305437466 /nfs/dbraw/zinc/43/74/66/1305437466.db2.gz LIQDZQJGQDPRBO-AWEZNQCLSA-N -1 0 330.340 2.024 20 5 EEBDRM CSc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000835329798 1314912267 /nfs/dbraw/zinc/91/22/67/1314912267.db2.gz FQCIMPZLFFYNMD-UHFFFAOYSA-N -1 0 346.430 2.049 20 5 EEBDRM COc1ccc(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)nc1 ZINC001247986534 1310811411 /nfs/dbraw/zinc/81/14/11/1310811411.db2.gz FTPITBGZADSMJL-UHFFFAOYSA-N -1 0 328.284 2.345 20 5 EEBDRM C[C@@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000835276164 1314908894 /nfs/dbraw/zinc/90/88/94/1314908894.db2.gz KXBQHDPZWBRGMP-OTYXRUKQSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000836756888 1315023065 /nfs/dbraw/zinc/02/30/65/1315023065.db2.gz YEIOEVJKCQWKDV-DGCLKSJQSA-N -1 0 347.371 2.130 20 5 EEBDRM O=C(NC1C(=O)N=CN=C1[O-])c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153417747 1316825607 /nfs/dbraw/zinc/82/56/07/1316825607.db2.gz IMFNELXTIPPSKF-UHFFFAOYSA-N -1 0 349.302 2.400 20 5 EEBDRM CS(=O)(=O)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3[O-])nc2c1 ZINC001251272592 1317443263 /nfs/dbraw/zinc/44/32/63/1317443263.db2.gz ZDJZOLSPTQEKIJ-UHFFFAOYSA-N -1 0 333.325 2.247 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(Nc2cccc([N+](=O)[O-])c2F)cc1 ZINC001210386432 1325261617 /nfs/dbraw/zinc/26/16/17/1325261617.db2.gz RHIWNEICIARIAQ-UHFFFAOYSA-N -1 0 333.275 2.292 20 5 EEBDRM O=C([O-])[C@@H](CC1CC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001608532981 1351711240 /nfs/dbraw/zinc/71/12/40/1351711240.db2.gz BQHMUWBTFWZZDE-LLVKDONJSA-N -1 0 328.271 2.056 20 5 EEBDRM Cc1cc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)c(N)c([N+](=O)[O-])c1 ZINC001600085377 1349968483 /nfs/dbraw/zinc/96/84/83/1349968483.db2.gz LNYGUXSELQEAMO-UHFFFAOYSA-N -1 0 341.323 2.387 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001601813644 1350370650 /nfs/dbraw/zinc/37/06/50/1350370650.db2.gz BYBARLVOWXSCHC-NEPJUHHUSA-N -1 0 347.320 2.086 20 5 EEBDRM O=C([O-])[C@@H](c1ccc(Cl)cc1)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001608559999 1351715788 /nfs/dbraw/zinc/71/57/88/1351715788.db2.gz WADIDDIWQMXGLG-SNVBAGLBSA-N -1 0 326.652 2.027 20 5 EEBDRM Cc1cc(NC(=O)NCc2ncc(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC001607690833 1351540612 /nfs/dbraw/zinc/54/06/12/1351540612.db2.gz VJOPQNJWFUOABB-UHFFFAOYSA-N -1 0 336.329 2.380 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)n1 ZINC001607709569 1351543982 /nfs/dbraw/zinc/54/39/82/1351543982.db2.gz JMQMGPBNRVEJJK-AWEZNQCLSA-N -1 0 341.323 2.122 20 5 EEBDRM O=C([O-])[C@@H](CCF)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001608317480 1351669781 /nfs/dbraw/zinc/66/97/81/1351669781.db2.gz CKQAILUUKJLMPG-LLVKDONJSA-N -1 0 332.715 2.110 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001608575861 1351719348 /nfs/dbraw/zinc/71/93/48/1351719348.db2.gz OLDKWMYZXVJENB-LBPRGKRZSA-N -1 0 347.140 2.356 20 5 EEBDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001608772983 1351759906 /nfs/dbraw/zinc/75/99/06/1351759906.db2.gz UODDDZLINDXQSL-OLZOCXBDSA-N -1 0 335.360 2.080 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)cc([N+](=O)[O-])c1 ZINC001608835443 1351774853 /nfs/dbraw/zinc/77/48/53/1351774853.db2.gz ITSVZNXJRKLKJQ-WDEREUQCSA-N -1 0 326.255 2.020 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@]2(c3ccccc3)C[C@@H](O)C2)c1[N+](=O)[O-] ZINC001608953766 1351802339 /nfs/dbraw/zinc/80/23/39/1351802339.db2.gz NPPQNBZULMLCJF-QASKLWRZSA-N -1 0 343.339 2.193 20 5 EEBDRM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cc1 ZINC001320978898 1332991007 /nfs/dbraw/zinc/99/10/07/1332991007.db2.gz UEVXOCKNPJFAAB-HXUWFJFHSA-N -1 0 346.411 2.195 20 5 EEBDRM CC(=O)NCC[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001609621572 1352043011 /nfs/dbraw/zinc/04/30/11/1352043011.db2.gz PDPFWRNZHRKBIN-CYBMUJFWSA-N -1 0 349.387 2.344 20 5 EEBDRM C[C@H](C(=O)NC(C)(C)c1nocc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001609634607 1352046811 /nfs/dbraw/zinc/04/68/11/1352046811.db2.gz JEYQTTSXYLOWRC-VIFPVBQESA-N -1 0 347.327 2.436 20 5 EEBDRM CC(C)(CCC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])[N+](=O)[O-] ZINC001609673921 1352055815 /nfs/dbraw/zinc/05/58/15/1352055815.db2.gz UTORKDWNEMBATA-LBPRGKRZSA-N -1 0 340.351 2.021 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccn1 ZINC001609728444 1352070829 /nfs/dbraw/zinc/07/08/29/1352070829.db2.gz HLNPRBWDPZVHJN-MRXNPFEDSA-N -1 0 347.302 2.249 20 5 EEBDRM C[C@@H]1CN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2C)CCS1 ZINC001338561665 1336877147 /nfs/dbraw/zinc/87/71/47/1336877147.db2.gz QUUIMYMEUFLLDE-SECBINFHSA-N -1 0 335.389 2.038 20 5 EEBDRM CCOC(=O)C(C)(C)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610011822 1352140252 /nfs/dbraw/zinc/14/02/52/1352140252.db2.gz JTKAZHDZOKGCLT-UHFFFAOYSA-N -1 0 338.316 2.211 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC001610083094 1352158714 /nfs/dbraw/zinc/15/87/14/1352158714.db2.gz QPHSZMPGHQUNKH-UHFFFAOYSA-N -1 0 338.707 2.415 20 5 EEBDRM C[C@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892946 1338366962 /nfs/dbraw/zinc/36/69/62/1338366962.db2.gz MDYIIASCUCHYOH-SNVBAGLBSA-N -1 0 343.405 2.257 20 5 EEBDRM Cc1c(NC(=O)COc2cccnc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610418096 1352219668 /nfs/dbraw/zinc/21/96/68/1352219668.db2.gz AOVJMECUYNVNJB-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM Cc1c(NC(=O)N2CCC(=O)[C@@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610422003 1352220033 /nfs/dbraw/zinc/22/00/33/1352220033.db2.gz QWDZQJSANGZLSX-QMMMGPOBSA-N -1 0 335.316 2.044 20 5 EEBDRM Cc1cc(N(C)CCCNC(=O)C2CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001610466344 1352227479 /nfs/dbraw/zinc/22/74/79/1352227479.db2.gz HYPFYTBYNIPKBT-UHFFFAOYSA-N -1 0 349.387 2.344 20 5 EEBDRM Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610550987 1352243443 /nfs/dbraw/zinc/24/34/43/1352243443.db2.gz RCMIUBONTGMXQD-QMMMGPOBSA-N -1 0 346.343 2.450 20 5 EEBDRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001610881460 1352290189 /nfs/dbraw/zinc/29/01/89/1352290189.db2.gz JMQIRTPUWUIIQT-SFHVURJKSA-N -1 0 340.335 2.463 20 5 EEBDRM CC(C)(CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001589292541 1348979608 /nfs/dbraw/zinc/97/96/08/1348979608.db2.gz PYFQLHADAHDTKF-UHFFFAOYSA-N -1 0 347.379 2.035 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC001600106677 1349972252 /nfs/dbraw/zinc/97/22/52/1349972252.db2.gz JDTNWGYIMXYSGL-STQMWFEESA-N -1 0 334.376 2.425 20 5 EEBDRM Cc1cc(COC(=O)COc2ccccc2[N+](=O)[O-])oc1C(=O)[O-] ZINC001600214227 1349994927 /nfs/dbraw/zinc/99/49/27/1349994927.db2.gz JKQHNWMKKIBWRU-UHFFFAOYSA-N -1 0 335.268 2.317 20 5 EEBDRM Cc1cc(N(C)Cc2noc(C3CC3)n2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600235827 1349998640 /nfs/dbraw/zinc/99/86/40/1349998640.db2.gz SVVNJLPETPGJIY-UHFFFAOYSA-N -1 0 332.316 2.498 20 5 EEBDRM Cc1cc(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600243556 1350000680 /nfs/dbraw/zinc/00/06/80/1350000680.db2.gz OSNSEZOUZLJHFU-WCBMZHEXSA-N -1 0 348.277 2.208 20 5 EEBDRM Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)nc(C)c1C(=O)[O-] ZINC001600258341 1350003681 /nfs/dbraw/zinc/00/36/81/1350003681.db2.gz RPLCVMLESUFDIP-UHFFFAOYSA-N -1 0 329.312 2.486 20 5 EEBDRM Cc1cc(N[C@H](C)C(=O)NCC(F)(F)F)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600278378 1350009535 /nfs/dbraw/zinc/00/95/35/1350009535.db2.gz YDMUMAFOUMMPEX-SSDOTTSWSA-N -1 0 349.265 2.080 20 5 EEBDRM Cc1cc(NCC(C)(C)[C@@]2(O)CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600279660 1350009680 /nfs/dbraw/zinc/00/96/80/1350009680.db2.gz QMIGWYJQWRAMBF-MRXNPFEDSA-N -1 0 338.360 2.191 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])oc1C(=O)[O-] ZINC001600301199 1350014565 /nfs/dbraw/zinc/01/45/65/1350014565.db2.gz ZOUJRVVKZQRLFN-UHFFFAOYSA-N -1 0 345.260 2.101 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001600488611 1350064019 /nfs/dbraw/zinc/06/40/19/1350064019.db2.gz YWRIRAONPILJJN-ZBEGNZNMSA-N -1 0 333.344 2.270 20 5 EEBDRM Cc1nc(NCc2nc3cc(C(=O)[O-])ccc3[nH]2)ccc1[N+](=O)[O-] ZINC001600718445 1350120355 /nfs/dbraw/zinc/12/03/55/1350120355.db2.gz VCXJFNKHBXRGGH-UHFFFAOYSA-N -1 0 327.300 2.485 20 5 EEBDRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001601408285 1350277680 /nfs/dbraw/zinc/27/76/80/1350277680.db2.gz FNZDROYYYPHXRU-LDYMZIIASA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001601571271 1350309855 /nfs/dbraw/zinc/30/98/55/1350309855.db2.gz HQORRWLIFCLMOZ-MUWHJKNJSA-N -1 0 333.127 2.495 20 5 EEBDRM O=C([O-])[C@H](C[C@H]1CCCOC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001601641623 1350326253 /nfs/dbraw/zinc/32/62/53/1350326253.db2.gz JURREYULZZSOJG-MFKMUULPSA-N -1 0 349.343 2.096 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC001601805909 1350368857 /nfs/dbraw/zinc/36/88/57/1350368857.db2.gz UXTVNGKNDMNNDT-VHSXEESVSA-N -1 0 332.316 2.322 20 5 EEBDRM O=C([O-])CSCCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001602099507 1350437478 /nfs/dbraw/zinc/43/74/78/1350437478.db2.gz YZGAAIZRMXGZFG-UHFFFAOYSA-N -1 0 346.792 2.115 20 5 EEBDRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001602107178 1350439741 /nfs/dbraw/zinc/43/97/41/1350439741.db2.gz NIGPHOHASUALIK-NWDGAFQWSA-N -1 0 336.344 2.123 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001602120630 1350443692 /nfs/dbraw/zinc/44/36/92/1350443692.db2.gz GIEINPLJUWZSJA-CYBMUJFWSA-N -1 0 342.355 2.396 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@H](CO)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC001602126918 1350445410 /nfs/dbraw/zinc/44/54/10/1350445410.db2.gz YOADDWVBTVADML-ZDUSSCGKSA-N -1 0 334.328 2.078 20 5 EEBDRM O=C([O-])Cc1ccc(OC[C@H](O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001602129360 1350446014 /nfs/dbraw/zinc/44/60/14/1350446014.db2.gz BLTVHOAEUSEMIZ-AWEZNQCLSA-N -1 0 335.287 2.473 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001602212458 1350467419 /nfs/dbraw/zinc/46/74/19/1350467419.db2.gz UYVDSVQHXSCGDP-GFCCVEGCSA-N -1 0 326.736 2.256 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1N(c1ncnc3sc([N+](=O)[O-])cc31)CC2 ZINC001602222699 1350469724 /nfs/dbraw/zinc/46/97/24/1350469724.db2.gz WCXIPGAACGREQP-OTYXRUKQSA-N -1 0 334.357 2.433 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001602391855 1350509531 /nfs/dbraw/zinc/50/95/31/1350509531.db2.gz BWVSSIOAFKWHLL-UHFFFAOYSA-N -1 0 339.300 2.406 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC001602403897 1350511424 /nfs/dbraw/zinc/51/14/24/1350511424.db2.gz TVROQTFNQDTYOK-CYBMUJFWSA-N -1 0 347.371 2.132 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2cnn(C[C@H]3CCCO3)c2)c1 ZINC001602408091 1350512885 /nfs/dbraw/zinc/51/28/85/1350512885.db2.gz NPQZNSKARITIKM-GFCCVEGCSA-N -1 0 332.316 2.412 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC[C@@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC001602480552 1350528677 /nfs/dbraw/zinc/52/86/77/1350528677.db2.gz VBFGRQSXEBAUKH-GFCCVEGCSA-N -1 0 335.360 2.331 20 5 EEBDRM O=C([O-])c1cncc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC001602540142 1350541698 /nfs/dbraw/zinc/54/16/98/1350541698.db2.gz LOYXIQMWKZMHET-UHFFFAOYSA-N -1 0 331.284 2.071 20 5 EEBDRM C/C(=C\C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001602951503 1350609740 /nfs/dbraw/zinc/60/97/40/1350609740.db2.gz PVXVGFJECSCUNR-IUJLQVPDSA-N -1 0 330.340 2.464 20 5 EEBDRM CC(C)(CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)CC(=O)[O-] ZINC001603638916 1350732680 /nfs/dbraw/zinc/73/26/80/1350732680.db2.gz KMPAWSLNUOXWES-UHFFFAOYSA-N -1 0 347.327 2.079 20 5 EEBDRM CC1(C)C[C@H](CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC001604514051 1350952669 /nfs/dbraw/zinc/95/26/69/1350952669.db2.gz IQGDPPXCPUVGPM-SNVBAGLBSA-N -1 0 336.344 2.228 20 5 EEBDRM CCCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)[O-] ZINC001605300023 1351129728 /nfs/dbraw/zinc/12/97/28/1351129728.db2.gz VYNZWHZUZZXXSN-VIFPVBQESA-N -1 0 330.287 2.398 20 5 EEBDRM CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC001605403584 1351154429 /nfs/dbraw/zinc/15/44/29/1351154429.db2.gz NNVRKSJJXMFDAQ-UHFFFAOYSA-N -1 0 332.316 2.176 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001605774643 1351222022 /nfs/dbraw/zinc/22/20/22/1351222022.db2.gz AHKZWDJPHJNHJG-GFCCVEGCSA-N -1 0 346.343 2.216 20 5 EEBDRM COc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)ccc1[N+](=O)[O-] ZINC001607076091 1351407178 /nfs/dbraw/zinc/40/71/78/1351407178.db2.gz RFYQBBKNVTWJBQ-LBPRGKRZSA-N -1 0 336.344 2.367 20 5 EEBDRM COc1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])cc1F ZINC001607158346 1351440368 /nfs/dbraw/zinc/44/03/68/1351440368.db2.gz YKBWLRRCNWTMFS-LLVKDONJSA-N -1 0 338.335 2.429 20 5 EEBDRM COc1cc(COC(=O)C[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607165207 1351441549 /nfs/dbraw/zinc/44/15/49/1351441549.db2.gz SJMFLVAMHCENBH-QMMMGPOBSA-N -1 0 329.280 2.287 20 5 EEBDRM COc1ccc([C@H](O)CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001607235789 1351455966 /nfs/dbraw/zinc/45/59/66/1351455966.db2.gz WFASYQPBSLHQDN-OAHLLOKOSA-N -1 0 332.312 2.447 20 5 EEBDRM COc1cccc([C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)[O-])c1 ZINC001607316451 1351472077 /nfs/dbraw/zinc/47/20/77/1351472077.db2.gz UIRNOYBHXLLKBJ-ZDUSSCGKSA-N -1 0 325.317 2.200 20 5 EEBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OC1(C(=O)[O-])CC1 ZINC001607503460 1351506804 /nfs/dbraw/zinc/50/68/04/1351506804.db2.gz XLAISWAURBOKFX-UHFFFAOYSA-N -1 0 344.117 2.440 20 5 EEBDRM Cc1ccc(NC(=O)c2ccsc2CC(=O)[O-])c(N)c1[N+](=O)[O-] ZINC001607806790 1351563256 /nfs/dbraw/zinc/56/32/56/1351563256.db2.gz PWYJXLSRNPLJAD-UHFFFAOYSA-N -1 0 335.341 2.426 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCSC[C@H]2CC(=O)[O-])c1C ZINC001607825460 1351565981 /nfs/dbraw/zinc/56/59/81/1351565981.db2.gz ULADJTWAEWMEEF-LLVKDONJSA-N -1 0 338.385 2.244 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1/C=C(/CN1CCC(=O)CC1)C(=O)[O-] ZINC001607825416 1351566070 /nfs/dbraw/zinc/56/60/70/1351566070.db2.gz XWTOXGXFDLMCDU-LCYFTJDESA-N -1 0 332.356 2.345 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC001608041755 1351612206 /nfs/dbraw/zinc/61/22/06/1351612206.db2.gz IFQLZFZRJDRYEX-UHFFFAOYSA-N -1 0 345.260 2.101 20 5 EEBDRM NC(=O)c1cc(NC[C@@H](CC2CCCC2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001608239872 1351654288 /nfs/dbraw/zinc/65/42/88/1351654288.db2.gz UUIIFBASEGNKAG-LLVKDONJSA-N -1 0 335.360 2.387 20 5 EEBDRM C[C@H](OC[C@@H]1CCCCO1)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837477167 1372787419 /nfs/dbraw/zinc/78/74/19/1372787419.db2.gz ZFNFLANJHSZECQ-FZMZJTMJSA-N -1 0 339.344 2.318 20 5 EEBDRM C/C=C(/C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC ZINC000839062457 1372887523 /nfs/dbraw/zinc/88/75/23/1372887523.db2.gz QTOWJOYLTXOMNK-YHYXMXQVSA-N -1 0 341.389 2.188 20 5 EEBDRM O=C([N-]O[C@H]1CCCCO1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580912 1373158779 /nfs/dbraw/zinc/15/87/79/1373158779.db2.gz FRXXZQIHVCUTRD-NSHDSACASA-N -1 0 332.259 2.141 20 5 EEBDRM CCOc1cccc(Cl)c1Cn1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1 ZINC001578400227 1403747483 /nfs/dbraw/zinc/74/74/83/1403747483.db2.gz DZSJCSWTELLRRA-UHFFFAOYSA-N -1 0 349.738 2.072 20 5 EEBDRM O=C(OCc1ncc(Br)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000785036369 759496106 /nfs/dbraw/zinc/49/61/06/759496106.db2.gz SOCXRYSAQHQMNF-UHFFFAOYSA-N -1 0 332.135 2.499 20 5 EEBDRM Nc1c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc(F)cc1[N+](=O)[O-] ZINC000238061214 774625431 /nfs/dbraw/zinc/62/54/31/774625431.db2.gz XYFXVBYINJAGQB-VIFPVBQESA-N -1 0 339.323 2.033 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccccc1Cl ZINC000112160471 775431474 /nfs/dbraw/zinc/43/14/74/775431474.db2.gz RDQVMLHWKABEOB-UHFFFAOYSA-N -1 0 346.773 2.428 20 5 EEBDRM O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N-]Oc1ccccc1 ZINC000816684973 784196315 /nfs/dbraw/zinc/19/63/15/784196315.db2.gz YNWXBCXRXJYPNV-UHFFFAOYSA-N -1 0 349.730 2.088 20 5 EEBDRM CCOC(=O)c1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1O ZINC000819365483 785534938 /nfs/dbraw/zinc/53/49/38/785534938.db2.gz LYHKZYWWDHQDFF-UHFFFAOYSA-N -1 0 346.295 2.435 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2CCC3(CC2)OCCO3)n1 ZINC000844206571 788925367 /nfs/dbraw/zinc/92/53/67/788925367.db2.gz LZFRRXACKASTFG-UHFFFAOYSA-N -1 0 337.332 2.094 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@H]2COC3(CCCCC3)O2)c1[N+](=O)[O-] ZINC000844210782 788928538 /nfs/dbraw/zinc/92/85/38/788928538.db2.gz IBJBAQIJSHAUKL-JTQLQIEISA-N -1 0 337.332 2.176 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@H]2CSCCS2)c([N+](=O)[O-])c1 ZINC000844211758 788929529 /nfs/dbraw/zinc/92/95/29/788929529.db2.gz XJFXYAMUBNAOTO-SNVBAGLBSA-N -1 0 328.415 2.482 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@H]2CCn3ccnc3C2)c([N+](=O)[O-])c1 ZINC000844215503 788934161 /nfs/dbraw/zinc/93/41/61/788934161.db2.gz QMXXUXSYXCXUNP-KMOQFTEPSA-N -1 0 328.328 2.316 20 5 EEBDRM Cn1ccnc1[C@@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844215990 788934322 /nfs/dbraw/zinc/93/43/22/788934322.db2.gz VZWOHOQARMZVSX-CYBMUJFWSA-N -1 0 344.371 2.339 20 5 EEBDRM Nc1c2c(=O)nccc-2[n-]n1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900058 797129038 /nfs/dbraw/zinc/12/90/38/797129038.db2.gz BLDKLPYOFWMEOA-GFCCVEGCSA-N -1 0 339.355 2.287 20 5 EEBDRM O=C([O-])c1cc(Nc2ccnn2Br)cc([N+](=O)[O-])c1 ZINC001176678053 798525445 /nfs/dbraw/zinc/52/54/45/798525445.db2.gz JTLBIZDPGQPXEY-UHFFFAOYSA-N -1 0 327.094 2.391 20 5 EEBDRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000797151125 800582138 /nfs/dbraw/zinc/58/21/38/800582138.db2.gz SMCBHSSIUJHHMV-GFCCVEGCSA-N -1 0 342.417 2.410 20 5 EEBDRM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc([O-])ccc1[N+](=O)[O-] ZINC000788264969 807452411 /nfs/dbraw/zinc/45/24/11/807452411.db2.gz DLZWHWUJEFTXNJ-UHFFFAOYSA-N -1 0 346.299 2.051 20 5 EEBDRM Cc1c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cnn1C ZINC000794031338 810668413 /nfs/dbraw/zinc/66/84/13/810668413.db2.gz ZNBMPGJEPPIUGB-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000804488898 810896868 /nfs/dbraw/zinc/89/68/68/810896868.db2.gz VUKZJSKXRXMBDH-ZBEGNZNMSA-N -1 0 330.340 2.461 20 5 EEBDRM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000808337366 812604899 /nfs/dbraw/zinc/60/48/99/812604899.db2.gz HIFQMKOOEBMEBQ-AMIZOPFISA-N -1 0 340.382 2.457 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1 ZINC000346016603 939128435 /nfs/dbraw/zinc/12/84/35/939128435.db2.gz OEICKEVCIHFBNU-OAHLLOKOSA-N -1 0 344.323 2.468 20 5 EEBDRM C[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC001602796755 971563570 /nfs/dbraw/zinc/56/35/70/971563570.db2.gz FOMSBFICXIDSNC-QMMMGPOBSA-N -1 0 334.250 2.206 20 5 EEBDRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC001595002233 951145540 /nfs/dbraw/zinc/14/55/40/951145540.db2.gz GCSXCMDFEUUIIG-GXTWGEPZSA-N -1 0 348.355 2.144 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001589310680 953791035 /nfs/dbraw/zinc/79/10/35/953791035.db2.gz WGTYVZXZANUGHN-RNFRBKRXSA-N -1 0 336.270 2.037 20 5 EEBDRM C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001589335538 953992041 /nfs/dbraw/zinc/99/20/41/953992041.db2.gz GOEOTLWXTSMDMT-VXGBXAGGSA-N -1 0 334.372 2.442 20 5 EEBDRM CN(C)c1cc(F)c(C(=O)Nc2ccnc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001593710774 954185287 /nfs/dbraw/zinc/18/52/87/954185287.db2.gz KYQQLDDQHVUQON-UHFFFAOYSA-N -1 0 348.290 2.145 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(C(=O)[O-])c2)n1 ZINC001593886534 955754910 /nfs/dbraw/zinc/75/49/10/955754910.db2.gz HOJCMGWGMDRDQD-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM C[C@](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589095389 955982422 /nfs/dbraw/zinc/98/24/22/955982422.db2.gz CGBWKFCOMWTEFK-QGZVFWFLSA-N -1 0 346.314 2.393 20 5 EEBDRM C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001603174310 972271719 /nfs/dbraw/zinc/27/17/19/972271719.db2.gz HXCNTARNAPCCAF-BZPMIXESSA-N -1 0 349.387 2.451 20 5 EEBDRM COc1cccc(C(=O)N(CC(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001594121115 958600335 /nfs/dbraw/zinc/60/03/35/958600335.db2.gz SWJZVWDDUORZTG-UHFFFAOYSA-N -1 0 330.296 2.335 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001594381380 958625905 /nfs/dbraw/zinc/62/59/05/958625905.db2.gz WOVBWKFHJPOPRJ-VIFPVBQESA-N -1 0 331.284 2.309 20 5 EEBDRM C[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C(=O)[O-] ZINC001573727854 960422374 /nfs/dbraw/zinc/42/23/74/960422374.db2.gz ZYASBVJCBVIUHN-HZMBPMFUSA-N -1 0 345.355 2.188 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001603301399 972578176 /nfs/dbraw/zinc/57/81/76/972578176.db2.gz UUISQNQRCZTAEH-UHFFFAOYSA-N -1 0 341.751 2.157 20 5 EEBDRM C[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001605041890 972655298 /nfs/dbraw/zinc/65/52/98/972655298.db2.gz JSNRWNPRZUNUPG-VHRBIJSZSA-N -1 0 336.344 2.042 20 5 EEBDRM O=C([O-])C1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC=CC1 ZINC001605934210 972862479 /nfs/dbraw/zinc/86/24/79/972862479.db2.gz BSHDQBLDXLQMHC-UHFFFAOYSA-N -1 0 342.311 2.344 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001603450358 973252051 /nfs/dbraw/zinc/25/20/51/973252051.db2.gz ULTWRJUPDALZBH-TUAOUCFPSA-N -1 0 335.360 2.408 20 5 EEBDRM COc1cc(C(=O)N2CCC(C)(C(=O)[O-])CC2)c([N+](=O)[O-])cc1F ZINC001604684776 973875614 /nfs/dbraw/zinc/87/56/14/973875614.db2.gz BYYUCMWVJSZUIQ-UHFFFAOYSA-N -1 0 340.307 2.069 20 5 EEBDRM O=C([O-])C1=CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000702219723 977070325 /nfs/dbraw/zinc/07/03/25/977070325.db2.gz NGWRKLULTUFJAP-ZETCQYMHSA-N -1 0 328.122 2.338 20 5 EEBDRM C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1CC(=O)[O-] ZINC000722685063 978163220 /nfs/dbraw/zinc/16/32/20/978163220.db2.gz MPOFCTXPQPGQAH-HTQZYQBOSA-N -1 0 344.165 2.299 20 5 EEBDRM C[C@H](CNC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592663717 978648399 /nfs/dbraw/zinc/64/83/99/978648399.db2.gz ILZNGJRQCRORDC-PEBVRCNWSA-N -1 0 349.387 2.451 20 5 EEBDRM C[C@H](CNC(=O)c1cccc(C(=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC001592699131 979158372 /nfs/dbraw/zinc/15/83/72/979158372.db2.gz ZHFZOUZMLBVXLV-SNVBAGLBSA-N -1 0 329.312 2.222 20 5 EEBDRM C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)c1nncn1C ZINC001592728883 979238825 /nfs/dbraw/zinc/23/88/25/979238825.db2.gz HHOGPIAVSYIFJQ-SSDOTTSWSA-N -1 0 339.739 2.291 20 5 EEBDRM CCC(CC)(NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)[O-] ZINC001595097859 979397290 /nfs/dbraw/zinc/39/72/90/979397290.db2.gz UXWKLUFQJLUSKF-UHFFFAOYSA-N -1 0 346.343 2.154 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001595211500 979993220 /nfs/dbraw/zinc/99/32/20/979993220.db2.gz GYALFNGTGXPHEO-NSHDSACASA-N -1 0 346.343 2.234 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901892353 980606096 /nfs/dbraw/zinc/60/60/96/980606096.db2.gz SVFHRCARVBZQHN-JTQLQIEISA-N -1 0 330.793 2.498 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001594975111 982747816 /nfs/dbraw/zinc/74/78/16/982747816.db2.gz YRMLDYUFRDXCRO-SNVBAGLBSA-N -1 0 326.374 2.399 20 5 EEBDRM CCCN1C[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1=O ZINC001595902860 982965585 /nfs/dbraw/zinc/96/55/85/982965585.db2.gz UOCDNTBWQBEWIR-LLVKDONJSA-N -1 0 335.360 2.272 20 5 EEBDRM CCNc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1[N+](=O)[O-] ZINC001596501375 984254993 /nfs/dbraw/zinc/25/49/93/984254993.db2.gz RONWCVFVKBNPCC-ZYHUDNBSSA-N -1 0 335.360 2.352 20 5 EEBDRM CC(C)(C(=O)OC1CC(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001589680440 987702899 /nfs/dbraw/zinc/70/28/99/987702899.db2.gz AIHOZHSMEKLVDX-UHFFFAOYSA-N -1 0 325.292 2.418 20 5 EEBDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001589704605 987812591 /nfs/dbraw/zinc/81/25/91/987812591.db2.gz CIZDKCPYGDNBTK-NSHDSACASA-N -1 0 334.332 2.090 20 5 EEBDRM CCc1ccc(S(=O)(=O)N(C)C(C)(C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001597557487 988297649 /nfs/dbraw/zinc/29/76/49/988297649.db2.gz IVTMVIGWAPLFTO-UHFFFAOYSA-N -1 0 344.389 2.031 20 5 EEBDRM C[C@@]12CSC[C@@H]1CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC001599885027 989541166 /nfs/dbraw/zinc/54/11/66/989541166.db2.gz UWUGQRLTNSCVQC-XHDPSFHLSA-N -1 0 336.369 2.118 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001599621906 994095902 /nfs/dbraw/zinc/09/59/02/994095902.db2.gz HCZXSYSZUNDNSD-UHFFFAOYSA-N -1 0 334.284 2.133 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001599622047 994097689 /nfs/dbraw/zinc/09/76/89/994097689.db2.gz MPIYUGRZQCRYGG-SGMGOOAPSA-N -1 0 348.355 2.319 20 5 EEBDRM C[C@H](NCc1cccnc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593304396 994746293 /nfs/dbraw/zinc/74/62/93/994746293.db2.gz MOHOAVNAYPKDJB-NSHDSACASA-N -1 0 331.328 2.304 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C(=O)[O-])C1CC1 ZINC001593667547 996058698 /nfs/dbraw/zinc/05/86/98/996058698.db2.gz PXFMGURTNZMBDL-PRHODGIISA-N -1 0 325.342 2.482 20 5 EEBDRM CC1(C(=O)[O-])CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001593802647 996529789 /nfs/dbraw/zinc/52/97/89/996529789.db2.gz BJHOGYPXSSFCDO-UHFFFAOYSA-N -1 0 326.736 2.114 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC001599190740 997119113 /nfs/dbraw/zinc/11/91/13/997119113.db2.gz MWXXNIWDLBQYQU-XSLBHYSZSA-N -1 0 348.355 2.090 20 5 EEBDRM COCc1cncc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001599298732 997195228 /nfs/dbraw/zinc/19/52/28/997195228.db2.gz UBBLQDDZZDNFAB-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1cc(N2CCSC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1C ZINC001599427731 997705877 /nfs/dbraw/zinc/70/58/77/997705877.db2.gz BFHMWDVHEDBYBP-JTQLQIEISA-N -1 0 326.374 2.166 20 5 EEBDRM C[C@]1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC=CCC1 ZINC001594061646 997853530 /nfs/dbraw/zinc/85/35/30/997853530.db2.gz KNZBCISAXXISTG-AWEZNQCLSA-N -1 0 340.357 2.070 20 5 EEBDRM CO[C@@H]1CN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)[C@](C)(C(=O)[O-])C1 ZINC001599129476 997915007 /nfs/dbraw/zinc/91/50/07/997915007.db2.gz DYXYJXJKBLBZJO-DCMZOXEDSA-N -1 0 348.355 2.089 20 5 EEBDRM CO[C@@H]1CN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)[C@](C)(C(=O)[O-])C1 ZINC001599129478 997915567 /nfs/dbraw/zinc/91/55/67/997915567.db2.gz DYXYJXJKBLBZJO-RMHUIEEYSA-N -1 0 348.355 2.089 20 5 EEBDRM COC[C@](C)(O)CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001599156157 998375530 /nfs/dbraw/zinc/37/55/30/998375530.db2.gz AQVOYSUCPWQNAL-CYBMUJFWSA-N -1 0 332.740 2.146 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001599377829 998517429 /nfs/dbraw/zinc/51/74/29/998517429.db2.gz AZMBTNSBTBLRFU-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM C[C@H]1[C@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CCN1C ZINC001594177834 998691130 /nfs/dbraw/zinc/69/11/30/998691130.db2.gz ADKVVNPISZIBKP-IUCAKERBSA-N -1 0 327.768 2.475 20 5 EEBDRM COC(=O)c1cccc(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001598995559 998776761 /nfs/dbraw/zinc/77/67/61/998776761.db2.gz IVLFZCJAZFRCOM-UHFFFAOYSA-N -1 0 345.311 2.129 20 5 EEBDRM CO[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)[C@H]1CCOC1 ZINC001599055789 999228490 /nfs/dbraw/zinc/22/84/90/999228490.db2.gz QPJUXAULMJKLQI-KWQFWETISA-N -1 0 344.751 2.410 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000238040295 304104096 /nfs/dbraw/zinc/10/40/96/304104096.db2.gz SLJAPIRDZYKKLZ-AWEZNQCLSA-N -1 0 347.371 2.274 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424073115 240824446 /nfs/dbraw/zinc/82/44/46/240824446.db2.gz ZYUBDKNANOTBKO-UHFFFAOYSA-N -1 0 344.389 2.162 20 5 EEBDRM COc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(OC)c1 ZINC000427925697 241496107 /nfs/dbraw/zinc/49/61/07/241496107.db2.gz OSXALZNRMSMAAE-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)c(F)c1 ZINC000446970667 242235357 /nfs/dbraw/zinc/23/53/57/242235357.db2.gz FLEWXNJZVLMEQP-UHFFFAOYSA-N -1 0 338.320 2.202 20 5 EEBDRM Cc1noc(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000070014485 203070029 /nfs/dbraw/zinc/07/00/29/203070029.db2.gz FLUNQNJKVWJJGB-UHFFFAOYSA-N -1 0 329.309 2.448 20 5 EEBDRM CC(C)(CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262978238 245278387 /nfs/dbraw/zinc/27/83/87/245278387.db2.gz KLGRKSJWXJJEJM-UHFFFAOYSA-N -1 0 346.343 2.011 20 5 EEBDRM CC(C)(C)OC(=O)NC(C)(C)COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000494678178 247002387 /nfs/dbraw/zinc/00/23/87/247002387.db2.gz YMIHYVOFHXRYLB-UHFFFAOYSA-N -1 0 327.337 2.383 20 5 EEBDRM CC(C)(C)[C@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000270650383 256157156 /nfs/dbraw/zinc/15/71/56/256157156.db2.gz QJPMFIAJQMFTGJ-BXUZGUMPSA-N -1 0 342.417 2.467 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000119752255 292248249 /nfs/dbraw/zinc/24/82/49/292248249.db2.gz ZEKDRTSXUUMUPV-GFCCVEGCSA-N -1 0 348.277 2.076 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC000262714979 152311511 /nfs/dbraw/zinc/31/15/11/152311511.db2.gz CNWMFKGQPAWFOC-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM CCOc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263116750 152379343 /nfs/dbraw/zinc/37/93/43/152379343.db2.gz VBJPXBTVSGOIEM-ZWNOBZJWSA-N -1 0 336.344 2.319 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000354151976 153140253 /nfs/dbraw/zinc/14/02/53/153140253.db2.gz ZECIVPKEZLCFPP-LBPRGKRZSA-N -1 0 344.371 2.365 20 5 EEBDRM COc1cc(O)cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000355831535 153158806 /nfs/dbraw/zinc/15/88/06/153158806.db2.gz OLMOLLBMZOMKGN-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM COC[C@](C)(NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000340677719 160946377 /nfs/dbraw/zinc/94/63/77/160946377.db2.gz LQVIYZJODOPLGO-INIZCTEOSA-N -1 0 334.328 2.434 20 5 EEBDRM CC(C)c1nnc(CCNC(=O)c2cccc([O-])c2[N+](=O)[O-])s1 ZINC000345624301 161317436 /nfs/dbraw/zinc/31/74/36/161317436.db2.gz NTQJAYKMKAPIAH-UHFFFAOYSA-N -1 0 336.373 2.248 20 5 EEBDRM COc1ccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC000358429562 163906770 /nfs/dbraw/zinc/90/67/70/163906770.db2.gz FQBNGBGZARYWMH-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NCCC1(C)CC1 ZINC000359390225 164125379 /nfs/dbraw/zinc/12/53/79/164125379.db2.gz YSMIFDFJWOUTGE-UHFFFAOYSA-N -1 0 342.373 2.070 20 5 EEBDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(OC)c([N+](=O)[O-])c1 ZINC000359861805 164187517 /nfs/dbraw/zinc/18/75/17/164187517.db2.gz XPLHMAFCJGNQML-UHFFFAOYSA-N -1 0 344.370 2.474 20 5 EEBDRM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000275261243 269105439 /nfs/dbraw/zinc/10/54/39/269105439.db2.gz IXMMDDKGDUFHDN-CYBMUJFWSA-N -1 0 344.389 2.023 20 5 EEBDRM CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000275206436 274227093 /nfs/dbraw/zinc/22/70/93/274227093.db2.gz ZJWFGSZDJUVGDX-BXKDBHETSA-N -1 0 344.389 2.023 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H]1C ZINC000337683220 301012520 /nfs/dbraw/zinc/01/25/20/301012520.db2.gz WSGRMXYYXOCRKU-KWQFWETISA-N -1 0 342.373 2.068 20 5 EEBDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])c1C ZINC000359403735 301176399 /nfs/dbraw/zinc/17/63/99/301176399.db2.gz HOZBNWDMGXAALM-UHFFFAOYSA-N -1 0 335.385 2.446 20 5 EEBDRM COc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000326162753 311603117 /nfs/dbraw/zinc/60/31/17/311603117.db2.gz LVBUAUDGEJJKDN-SNVBAGLBSA-N -1 0 337.332 2.322 20 5 EEBDRM CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000391649165 312440212 /nfs/dbraw/zinc/44/02/12/312440212.db2.gz DHYGYWFUAHGJHI-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000415650681 313161353 /nfs/dbraw/zinc/16/13/53/313161353.db2.gz SIWWJFJQUMXZAC-UHFFFAOYSA-N -1 0 346.343 2.411 20 5 EEBDRM O=[N+]([O-])c1ccc(NCCN2c3ccccc3[N-]S2(=O)=O)cc1 ZINC000430550597 314543260 /nfs/dbraw/zinc/54/32/60/314543260.db2.gz VSLYUHSKJYXCGK-UHFFFAOYSA-N -1 0 334.357 2.184 20 5 EEBDRM NC(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000432494586 314707444 /nfs/dbraw/zinc/70/74/44/314707444.db2.gz NRPRHAMLUPKAND-UHFFFAOYSA-N -1 0 335.703 2.305 20 5 EEBDRM COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1O ZINC000433202145 314753483 /nfs/dbraw/zinc/75/34/83/314753483.db2.gz OVXUTZXDCYJTRG-UHFFFAOYSA-N -1 0 332.312 2.287 20 5 EEBDRM COC(=O)c1sc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc1C ZINC000436558503 314975162 /nfs/dbraw/zinc/97/51/62/314975162.db2.gz YDAHWLNQVZRNSE-UHFFFAOYSA-N -1 0 337.313 2.104 20 5 EEBDRM CCOC(=O)C[C@@](C)(NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)C ZINC000436584725 314978004 /nfs/dbraw/zinc/97/80/04/314978004.db2.gz QBTDLJDTYCBTKE-MRXNPFEDSA-N -1 0 338.360 2.398 20 5 EEBDRM COC(=O)c1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436911549 315012141 /nfs/dbraw/zinc/01/21/41/315012141.db2.gz SYKJBUCBCGEBMM-UHFFFAOYSA-N -1 0 344.323 2.359 20 5 EEBDRM CCOC(=O)c1cnc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436935265 315013975 /nfs/dbraw/zinc/01/39/75/315013975.db2.gz OIYSBQWYZQYSDB-UHFFFAOYSA-N -1 0 345.311 2.433 20 5 EEBDRM COC(=O)C1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCC(C)CC1 ZINC000436951078 315015994 /nfs/dbraw/zinc/01/59/94/315015994.db2.gz PGIMMYVYBNPVOB-UHFFFAOYSA-N -1 0 336.344 2.152 20 5 EEBDRM CN1CCc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2C1=O ZINC000436975315 315018592 /nfs/dbraw/zinc/01/85/92/315018592.db2.gz JJEMOJZZSDKGBB-UHFFFAOYSA-N -1 0 341.323 2.181 20 5 EEBDRM O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436977249 315018906 /nfs/dbraw/zinc/01/89/06/315018906.db2.gz QVUDHHGIRGQAGB-LBPRGKRZSA-N -1 0 348.330 2.021 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2c([O-])cccc2F)cc([N+](=O)[O-])c1 ZINC000436993218 315021056 /nfs/dbraw/zinc/02/10/56/315021056.db2.gz ZVAXDZFGDQMQDC-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM CN(C)C(=O)OC[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000495730101 316076982 /nfs/dbraw/zinc/07/69/82/316076982.db2.gz PKCZAUWZMPPQIF-ZDUSSCGKSA-N -1 0 337.376 2.353 20 5 EEBDRM COC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000525702748 317068816 /nfs/dbraw/zinc/06/88/16/317068816.db2.gz WKCPZFKDCGCDLM-SNVBAGLBSA-N -1 0 336.797 2.198 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(Cc2ccsc2)CC1 ZINC000548444421 318389369 /nfs/dbraw/zinc/38/93/69/318389369.db2.gz UDQWPMHGXOXDGT-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM O=C(NCCc1ccc2n[nH]cc2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000560512849 318799322 /nfs/dbraw/zinc/79/93/22/318799322.db2.gz WWJWAQPIXGCYKC-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM CO[C@H]1C[C@H](CC(=O)[O-])N(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000563213503 318984865 /nfs/dbraw/zinc/98/48/65/318984865.db2.gz ZPOZRIWTRNEIQU-MNOVXSKESA-N -1 0 331.328 2.211 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000565382082 319177738 /nfs/dbraw/zinc/17/77/38/319177738.db2.gz QNPDGLJULIOZNG-OAHLLOKOSA-N -1 0 349.387 2.470 20 5 EEBDRM Cc1cc(N[C@H](C)[C@H](C)N2CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566291536 319270179 /nfs/dbraw/zinc/27/01/79/319270179.db2.gz LTEMZOGMRFKHJF-NEPJUHHUSA-N -1 0 337.376 2.123 20 5 EEBDRM CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567506169 319386496 /nfs/dbraw/zinc/38/64/96/319386496.db2.gz GAPLYIOFRBQSTG-SNVBAGLBSA-N -1 0 344.389 2.396 20 5 EEBDRM CCC(CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000567803275 319420706 /nfs/dbraw/zinc/42/07/06/319420706.db2.gz WCUUXQVBRGVIBF-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM C[C@]1(CO)CCC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000569974268 319625620 /nfs/dbraw/zinc/62/56/20/319625620.db2.gz FCENIHSIYLNXNI-SMDDNHRTSA-N -1 0 328.752 2.235 20 5 EEBDRM COCCOC[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000570931406 319711682 /nfs/dbraw/zinc/71/16/82/319711682.db2.gz OCLSHRBSFGHMFW-GFCCVEGCSA-N -1 0 338.360 2.091 20 5 EEBDRM CC(C)CN(CC(=O)[O-])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000581612903 324290397 /nfs/dbraw/zinc/29/03/97/324290397.db2.gz JGEPJEBYFUQXDN-UHFFFAOYSA-N -1 0 334.332 2.187 20 5 EEBDRM O=C([O-])c1cnc(N[C@@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000583696007 324714107 /nfs/dbraw/zinc/71/41/07/324714107.db2.gz AZUVPIXPHAOWJA-QMTHXVAHSA-N -1 0 339.373 2.155 20 5 EEBDRM Cn1cnc2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000083577550 463551072 /nfs/dbraw/zinc/55/10/72/463551072.db2.gz ABLFPYLMQCYHJT-UHFFFAOYSA-N -1 0 332.341 2.282 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000327321454 465050699 /nfs/dbraw/zinc/05/06/99/465050699.db2.gz BXWAVFMETCDYQB-CQSZACIVSA-N -1 0 344.323 2.202 20 5 EEBDRM CCOC(=O)C(C)(C)ONC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000296515940 465220059 /nfs/dbraw/zinc/22/00/59/465220059.db2.gz CROUBZSQMZWQTP-UHFFFAOYSA-N -1 0 325.321 2.298 20 5 EEBDRM CC[C@]1(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000578886531 468274848 /nfs/dbraw/zinc/27/48/48/468274848.db2.gz ZBAHPNRBFLPENJ-CQSZACIVSA-N -1 0 342.373 2.104 20 5 EEBDRM Cc1ccnc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C2CC2)n1 ZINC000134317605 463025403 /nfs/dbraw/zinc/02/54/03/463025403.db2.gz KTYCCBSBICLVAI-AWEZNQCLSA-N -1 0 328.328 2.280 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)ccc1[O-] ZINC000024101123 463078146 /nfs/dbraw/zinc/07/81/46/463078146.db2.gz AZZAUAJJUVRPQY-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM CCc1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000161895996 463465891 /nfs/dbraw/zinc/46/58/91/463465891.db2.gz NADPVGHCTYLSTN-UHFFFAOYSA-N -1 0 342.764 2.401 20 5 EEBDRM Cc1nnc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000083955828 463568296 /nfs/dbraw/zinc/56/82/96/463568296.db2.gz LFSCJMZXDHEHJE-UHFFFAOYSA-N -1 0 328.375 2.172 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000178280602 463873049 /nfs/dbraw/zinc/87/30/49/463873049.db2.gz QAIVYLIWLOFCIH-MRXNPFEDSA-N -1 0 336.347 2.314 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCSC2)c(F)c1 ZINC000287507687 463909533 /nfs/dbraw/zinc/90/95/33/463909533.db2.gz SGIRQXABZUPSTB-SECBINFHSA-N -1 0 334.394 2.155 20 5 EEBDRM Cc1cc([C@@H]2CCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000283695295 463975961 /nfs/dbraw/zinc/97/59/61/463975961.db2.gz XMOWSHWZMHOEJF-LLVKDONJSA-N -1 0 330.344 2.352 20 5 EEBDRM Nc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262221703 463976327 /nfs/dbraw/zinc/97/63/27/463976327.db2.gz XHKFRBCXWVYWLM-BHYNMZESSA-N -1 0 333.344 2.035 20 5 EEBDRM COc1cc(C(=O)NC2(CC(=O)[O-])CCCC2)cc([N+](=O)[O-])c1C ZINC000263510652 464120512 /nfs/dbraw/zinc/12/05/12/464120512.db2.gz CGRHBSZNWZHKOU-UHFFFAOYSA-N -1 0 336.344 2.429 20 5 EEBDRM C[S@](=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000179501793 464149338 /nfs/dbraw/zinc/14/93/38/464149338.db2.gz VKXJFELUZDSJOA-QHCPKHFHSA-N -1 0 334.353 2.431 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000236609108 464214461 /nfs/dbraw/zinc/21/44/61/464214461.db2.gz LOTJHQQMRZDVDY-CQSZACIVSA-N -1 0 346.343 2.010 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236968924 464246993 /nfs/dbraw/zinc/24/69/93/464246993.db2.gz IMIJHFUZINBUQV-XHDPSFHLSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([N-]OC1CCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271662112 464356660 /nfs/dbraw/zinc/35/66/60/464356660.db2.gz KPZSTFPGBQVGND-UHFFFAOYSA-N -1 0 327.724 2.177 20 5 EEBDRM C[C@@](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)(C(=O)[O-])C1CC1 ZINC000237728319 464369547 /nfs/dbraw/zinc/36/95/47/464369547.db2.gz ORIJLWHDKWSZNI-INIZCTEOSA-N -1 0 333.344 2.152 20 5 EEBDRM O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180776965 464393535 /nfs/dbraw/zinc/39/35/35/464393535.db2.gz SKRDFPAAQCAUSX-NSHDSACASA-N -1 0 327.296 2.365 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1n1ccnc1 ZINC000182106664 464572368 /nfs/dbraw/zinc/57/23/68/464572368.db2.gz RCRAMAMZRLUTTR-RISCZKNCSA-N -1 0 330.344 2.220 20 5 EEBDRM CO[C@H](C)c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000272364529 464578775 /nfs/dbraw/zinc/57/87/75/464578775.db2.gz GAINFTNUGLRRMT-MRVPVSSYSA-N -1 0 337.357 2.394 20 5 EEBDRM COc1ccc(C)nc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000183383937 464858764 /nfs/dbraw/zinc/85/87/64/464858764.db2.gz WPDPYGMZKNCMKE-UHFFFAOYSA-N -1 0 337.357 2.249 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)Nc2c[nH]c(=O)cc2C)c1[N+](=O)[O-] ZINC000358792759 465326088 /nfs/dbraw/zinc/32/60/88/465326088.db2.gz WAPIZTBOEZCIKQ-UHFFFAOYSA-N -1 0 337.357 2.421 20 5 EEBDRM COCCNc1ccccc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356799669 465547711 /nfs/dbraw/zinc/54/77/11/465547711.db2.gz HIEHTUAAIYKOFQ-UHFFFAOYSA-N -1 0 345.355 2.289 20 5 EEBDRM CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000600050308 468443969 /nfs/dbraw/zinc/44/39/69/468443969.db2.gz YSUFZXWOXVXSGG-UHFFFAOYSA-N -1 0 348.315 2.231 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000357345029 465966469 /nfs/dbraw/zinc/96/64/69/465966469.db2.gz WWOQGRRDVUDHFS-UHFFFAOYSA-N -1 0 338.389 2.483 20 5 EEBDRM COc1cc(CNc2ccc(C(N)=O)c(C)c2)cc([N+](=O)[O-])c1[O-] ZINC000340562367 466173768 /nfs/dbraw/zinc/17/37/68/466173768.db2.gz PFILPRAGTWAKAZ-UHFFFAOYSA-N -1 0 331.328 2.328 20 5 EEBDRM Cc1cc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)cc([N+](=O)[O-])c1 ZINC000331926107 466309913 /nfs/dbraw/zinc/30/99/13/466309913.db2.gz OZGMCYSKEQJCHZ-LBPRGKRZSA-N -1 0 331.332 2.094 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1C(N)=O ZINC000354219336 466388222 /nfs/dbraw/zinc/38/82/22/466388222.db2.gz PWSOAUIRTGNEAK-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1ccc(CN(C)S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000320322880 466607705 /nfs/dbraw/zinc/60/77/05/466607705.db2.gz NJEKWUPXPQYNAP-UHFFFAOYSA-N -1 0 336.369 2.430 20 5 EEBDRM CCN(c1cccc(O)c1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000322884901 466635391 /nfs/dbraw/zinc/63/53/91/466635391.db2.gz WCUNZOGAWSCNSI-UHFFFAOYSA-N -1 0 338.341 2.221 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000324784957 466649651 /nfs/dbraw/zinc/64/96/51/466649651.db2.gz JLTWPLILCYWAIX-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000427731438 467175327 /nfs/dbraw/zinc/17/53/27/467175327.db2.gz OEWAFAAIUBLKIF-LBPRGKRZSA-N -1 0 338.363 2.134 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc2n(n1)CCCO2 ZINC000432144852 467219721 /nfs/dbraw/zinc/21/97/21/467219721.db2.gz MCMKKXRUCVMQDL-UHFFFAOYSA-N -1 0 338.707 2.185 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378602703 467352490 /nfs/dbraw/zinc/35/24/90/467352490.db2.gz XZURWPHMYFLMMY-QGZVFWFLSA-N -1 0 346.314 2.173 20 5 EEBDRM CCC(=O)c1ccc([O-])c(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 ZINC000436652089 467549307 /nfs/dbraw/zinc/54/93/07/467549307.db2.gz ZZEVYKXNHTWLHH-UHFFFAOYSA-N -1 0 332.316 2.037 20 5 EEBDRM COC[C@@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436793109 467554555 /nfs/dbraw/zinc/55/45/55/467554555.db2.gz ZEZQGJVTIGMGDX-CYBMUJFWSA-N -1 0 330.340 2.288 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C[C@@H](CO)Cc2ccccc21 ZINC000590408556 468249491 /nfs/dbraw/zinc/24/94/91/468249491.db2.gz VSIMLZIHJFCIEI-NSHDSACASA-N -1 0 328.324 2.112 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000578769841 468255398 /nfs/dbraw/zinc/25/53/98/468255398.db2.gz AEJBYTSWEQHQBS-GWCFXTLKSA-N -1 0 336.344 2.176 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCc2nn[nH]c21 ZINC000590445365 468258711 /nfs/dbraw/zinc/25/87/11/468258711.db2.gz NGNNXYXFLRSPAF-SSDOTTSWSA-N -1 0 337.723 2.131 20 5 EEBDRM CCOC(=O)c1[nH]c(C)c(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1C ZINC000600510045 468576639 /nfs/dbraw/zinc/57/66/39/468576639.db2.gz GYYXHSXJHRIIMZ-AATRIKPKSA-N -1 0 348.315 2.088 20 5 EEBDRM COc1cccc([C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])OC)c1 ZINC000600677658 468618290 /nfs/dbraw/zinc/61/82/90/468618290.db2.gz HWOYOXRBJOCLHM-CQSZACIVSA-N -1 0 347.327 2.496 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nnc(C3CC3)o2)c1 ZINC000583063979 468636021 /nfs/dbraw/zinc/63/60/21/468636021.db2.gz QWGABPNUDXMWTE-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000600800113 468660898 /nfs/dbraw/zinc/66/08/98/468660898.db2.gz HZHKWVDUAYVMNK-GHMZBOCLSA-N -1 0 336.344 2.237 20 5 EEBDRM CC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000600872521 468672222 /nfs/dbraw/zinc/67/22/22/468672222.db2.gz QHZJOPISWCKYJG-AWEZNQCLSA-N -1 0 336.344 2.228 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000600873696 468673028 /nfs/dbraw/zinc/67/30/28/468673028.db2.gz MWSQZCFKGDZANV-UHFFFAOYSA-N -1 0 343.339 2.158 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H]2COC[C@@H]21 ZINC000592805030 468790700 /nfs/dbraw/zinc/79/07/00/468790700.db2.gz ZCLVBROJDHLMHC-PELKAZGASA-N -1 0 326.736 2.205 20 5 EEBDRM COc1ccc(CN(C)c2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC ZINC000592966652 468830355 /nfs/dbraw/zinc/83/03/55/468830355.db2.gz IEHQDFMKTFFWBG-UHFFFAOYSA-N -1 0 347.327 2.342 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000592969254 468831211 /nfs/dbraw/zinc/83/12/11/468831211.db2.gz MXXYSHYAEOLWCF-CQSZACIVSA-N -1 0 347.302 2.405 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1NCCc1ccc(OCC(=O)[O-])cc1 ZINC000592981069 468833555 /nfs/dbraw/zinc/83/35/55/468833555.db2.gz GQJAFRINQVPISM-UHFFFAOYSA-N -1 0 348.359 2.238 20 5 EEBDRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598584130 468922844 /nfs/dbraw/zinc/92/28/44/468922844.db2.gz JLCGWQGCMBOFRI-SNVBAGLBSA-N -1 0 344.389 2.085 20 5 EEBDRM C[C@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C(C)(C)C ZINC000572957670 469028643 /nfs/dbraw/zinc/02/86/43/469028643.db2.gz QCYWBWQTHXGIBE-VIFPVBQESA-N -1 0 344.389 2.348 20 5 EEBDRM CC(C)O[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000593696639 469100241 /nfs/dbraw/zinc/10/02/41/469100241.db2.gz AEZNRZBRKFEOSD-CQSZACIVSA-N -1 0 336.344 2.323 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC(c2nc3ccccc3[nH]2)C1 ZINC000610884570 469103605 /nfs/dbraw/zinc/10/36/05/469103605.db2.gz VMHCGIOKIOPANN-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](O)C1 ZINC000595978807 469105468 /nfs/dbraw/zinc/10/54/68/469105468.db2.gz PAYBPCXMZSZOLO-FZYJTZEISA-N -1 0 334.250 2.250 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC000573613821 469171167 /nfs/dbraw/zinc/17/11/67/469171167.db2.gz IYGXKFMUNRCORX-JTQLQIEISA-N -1 0 328.328 2.229 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000563195633 469193812 /nfs/dbraw/zinc/19/38/12/469193812.db2.gz SBPBBQNBRXHFMR-VHSXEESVSA-N -1 0 340.763 2.452 20 5 EEBDRM COc1ccc(CCCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000563205874 469198455 /nfs/dbraw/zinc/19/84/55/469198455.db2.gz DJPJYWVJICPVNJ-UHFFFAOYSA-N -1 0 331.328 2.741 20 5 EEBDRM O=C([O-])C1(NC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000618939883 469477133 /nfs/dbraw/zinc/47/71/33/469477133.db2.gz FVNDOQUEEVNLCR-UHFFFAOYSA-N -1 0 341.323 2.339 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(C)noc1C ZINC000619467241 469616710 /nfs/dbraw/zinc/61/67/10/469616710.db2.gz WCCSDVHTCAOLCH-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM COC(=O)c1ccccc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000619868871 469692257 /nfs/dbraw/zinc/69/22/57/469692257.db2.gz GWMKFTGJUDKELR-UHFFFAOYSA-N -1 0 330.296 2.017 20 5 EEBDRM COc1ccc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000609145267 469896619 /nfs/dbraw/zinc/89/66/19/469896619.db2.gz HCNAGOGORAYDIJ-YUMQZZPRSA-N -1 0 328.346 2.137 20 5 EEBDRM C[C@@H](Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1)C(=O)[O-] ZINC000191408839 534232952 /nfs/dbraw/zinc/23/29/52/534232952.db2.gz RLIXCFBWRLSSAW-NSHDSACASA-N -1 0 346.343 2.083 20 5 EEBDRM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181944159 528528479 /nfs/dbraw/zinc/52/84/79/528528479.db2.gz LXGWDWHIWZOTQJ-GFCCVEGCSA-N -1 0 349.387 2.069 20 5 EEBDRM Cc1nn(C)c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c1[N+](=O)[O-] ZINC000738906047 576116781 /nfs/dbraw/zinc/11/67/81/576116781.db2.gz QJVFYYNVDLLUSS-UHFFFAOYSA-N -1 0 329.272 2.052 20 5 EEBDRM CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])on1 ZINC000741248892 577049618 /nfs/dbraw/zinc/04/96/18/577049618.db2.gz BLOIWTNCIOXEGC-UHFFFAOYSA-N -1 0 345.764 2.277 20 5 EEBDRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000734735000 577323350 /nfs/dbraw/zinc/32/33/50/577323350.db2.gz MGYCVIRDYVBPKV-NTMALXAHSA-N -1 0 326.374 2.455 20 5 EEBDRM CN1CCOc2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])ccc21 ZINC000773352052 577335709 /nfs/dbraw/zinc/33/57/09/577335709.db2.gz UNICCFNBPUTTOH-UHFFFAOYSA-N -1 0 329.312 2.381 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000777315231 577476454 /nfs/dbraw/zinc/47/64/54/577476454.db2.gz PLNXNDBGFJWAFK-UHFFFAOYSA-N -1 0 328.390 2.020 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000767076278 577530325 /nfs/dbraw/zinc/53/03/25/577530325.db2.gz XSOGSDIILDSPHD-AWEZNQCLSA-N -1 0 335.360 2.156 20 5 EEBDRM CCC(CC)CC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000759529850 577644867 /nfs/dbraw/zinc/64/48/67/577644867.db2.gz BARAUYZEKDSXKL-UHFFFAOYSA-N -1 0 344.389 2.235 20 5 EEBDRM CCCC1(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000761006573 577673993 /nfs/dbraw/zinc/67/39/93/577673993.db2.gz XEGAGZQBRWDKQR-UHFFFAOYSA-N -1 0 326.374 2.121 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000739425724 578053055 /nfs/dbraw/zinc/05/30/55/578053055.db2.gz GRQBSIFHCBIYGN-UHFFFAOYSA-N -1 0 345.311 2.494 20 5 EEBDRM O=Cc1ccccc1OCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000740318079 578090072 /nfs/dbraw/zinc/09/00/72/578090072.db2.gz LLJZCAPRZVVMKF-UHFFFAOYSA-N -1 0 344.279 2.123 20 5 EEBDRM CC(C)[C@@H]1CCCN1c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000736397125 578201344 /nfs/dbraw/zinc/20/13/44/578201344.db2.gz ZZECALGAMVBGQB-LBPRGKRZSA-N -1 0 335.360 2.034 20 5 EEBDRM C[C@@H](NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000736644516 578216151 /nfs/dbraw/zinc/21/61/51/578216151.db2.gz APQIBFBDJBHRBS-ZYHUDNBSSA-N -1 0 336.348 2.097 20 5 EEBDRM CC1=C(C(=O)[O-])[C@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1 ZINC000736748680 578221667 /nfs/dbraw/zinc/22/16/67/578221667.db2.gz YYCRTAHCZAXJNX-JTQLQIEISA-N -1 0 327.749 2.126 20 5 EEBDRM CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000736861165 578227155 /nfs/dbraw/zinc/22/71/55/578227155.db2.gz GXGNNUUVSNUPOZ-GFCCVEGCSA-N -1 0 345.149 2.340 20 5 EEBDRM CC[C@@](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000736916511 578229471 /nfs/dbraw/zinc/22/94/71/578229471.db2.gz IXFVUWVCGOCOJY-KRWDZBQOSA-N -1 0 343.339 2.297 20 5 EEBDRM CC[C@@](NC(=O)c1ccc([N+](=O)[O-])n1C)(C(=O)[O-])c1ccccc1 ZINC000736917202 578229495 /nfs/dbraw/zinc/22/94/95/578229495.db2.gz RVTFZSFCDYJWHE-INIZCTEOSA-N -1 0 331.328 2.053 20 5 EEBDRM COC(=O)/C=C/c1ccc(N[C@@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000737597012 578266244 /nfs/dbraw/zinc/26/62/44/578266244.db2.gz INLHYQSXZALKFA-HOSRBBHYSA-N -1 0 349.343 2.335 20 5 EEBDRM COc1ccc(CC(=O)OCc2ccoc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737985478 578275431 /nfs/dbraw/zinc/27/54/31/578275431.db2.gz XWRWXSULFMNEOO-UHFFFAOYSA-N -1 0 335.268 2.181 20 5 EEBDRM COc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000738002979 578276160 /nfs/dbraw/zinc/27/61/60/578276160.db2.gz AMSJUEXJXYYPRK-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000819351491 597100255 /nfs/dbraw/zinc/10/02/55/597100255.db2.gz PFMSWUMXVYRFIL-GFCCVEGCSA-N -1 0 345.355 2.263 20 5 EEBDRM C[C@@H](CO)Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000827518118 601209087 /nfs/dbraw/zinc/20/90/87/601209087.db2.gz YMMJMQGPDOBFBD-JTQLQIEISA-N -1 0 344.323 2.317 20 5 EEBDRM Nc1c(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC000833089976 601287248 /nfs/dbraw/zinc/28/72/48/601287248.db2.gz KAWCYOWSEGDQSD-JTQLQIEISA-N -1 0 341.323 2.396 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000833235071 601509942 /nfs/dbraw/zinc/50/99/42/601509942.db2.gz XGFUQSYUTABGRR-UHFFFAOYSA-N -1 0 335.341 2.168 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000833234884 601510895 /nfs/dbraw/zinc/51/08/95/601510895.db2.gz PYILJDINEXKXND-UHFFFAOYSA-N -1 0 347.302 2.246 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000832958345 601589040 /nfs/dbraw/zinc/58/90/40/601589040.db2.gz WJLFFSMHTQBZJU-CQSZACIVSA-N -1 0 325.296 2.242 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1F ZINC000833125464 601746213 /nfs/dbraw/zinc/74/62/13/601746213.db2.gz WVOXUOAWOFAHRF-ZDUSSCGKSA-N -1 0 336.250 2.429 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCC(=O)N2CCCCC2)cc1Cl ZINC000833308395 602252514 /nfs/dbraw/zinc/25/25/14/602252514.db2.gz WOEYEJPHQPLYOK-UHFFFAOYSA-N -1 0 341.751 2.371 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000833211896 604468636 /nfs/dbraw/zinc/46/86/36/604468636.db2.gz QSKRNWWVPZEKOH-LBPRGKRZSA-N -1 0 347.371 2.274 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000826976423 604471383 /nfs/dbraw/zinc/47/13/83/604471383.db2.gz XAUZYGKCAKUFOK-LBPRGKRZSA-N -1 0 335.360 2.177 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC1(CCO)CCC1 ZINC000833307466 604645788 /nfs/dbraw/zinc/64/57/88/604645788.db2.gz NUGJXDPPFLMJFY-UHFFFAOYSA-N -1 0 339.304 2.166 20 5 EEBDRM Cc1cccc([C@@H](O)CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000832965770 604714603 /nfs/dbraw/zinc/71/46/03/604714603.db2.gz WYVCGTPTTQFKHN-HNNXBMFYSA-N -1 0 344.323 2.065 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(Br)n1C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833581342 605235673 /nfs/dbraw/zinc/23/56/73/605235673.db2.gz NBEKJZYOQSDFPU-ZETCQYMHSA-N -1 0 346.137 2.010 20 5 EEBDRM CC(C)CC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833481026 605388506 /nfs/dbraw/zinc/38/85/06/605388506.db2.gz PGTMQAYUHHPSIG-JTQLQIEISA-N -1 0 344.389 2.396 20 5 EEBDRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262204740 676400098 /nfs/dbraw/zinc/40/00/98/676400098.db2.gz JWLBFZCDJHCNEP-CYBMUJFWSA-N -1 0 347.371 2.178 20 5 EEBDRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](Nc3cc(C)ccc3[N+](=O)[O-])C2)c1[O-] ZINC001059189054 683140733 /nfs/dbraw/zinc/14/07/33/683140733.db2.gz UYNSWCZBBYEJIY-XYPYZODXSA-N -1 0 345.359 2.013 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000122585414 683405590 /nfs/dbraw/zinc/40/55/90/683405590.db2.gz LCGFZAMTUQBGFI-GFCCVEGCSA-N -1 0 348.380 2.345 20 5 EEBDRM CCCC[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(=O)[O-] ZINC000263537850 690080026 /nfs/dbraw/zinc/08/00/26/690080026.db2.gz AQMIIGSTFSSFPD-NSHDSACASA-N -1 0 330.362 2.054 20 5 EEBDRM CCC(CC)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000133530483 1249078991 /nfs/dbraw/zinc/07/89/91/1249078991.db2.gz JBSGUYRDZVRZDC-UHFFFAOYSA-N -1 0 349.796 2.072 20 5 EEBDRM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000800442687 1234138160 /nfs/dbraw/zinc/13/81/60/1234138160.db2.gz GMZRMNRHCLFOHS-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM COc1cc(C(=O)OCc2n[n-]c(C)cc2=O)cc([N+](=O)[O-])c1C ZINC000802171313 1237046354 /nfs/dbraw/zinc/04/63/54/1237046354.db2.gz VCTHOKPHXNLUDG-UHFFFAOYSA-N -1 0 333.300 2.073 20 5 EEBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000851702885 1277719641 /nfs/dbraw/zinc/71/96/41/1277719641.db2.gz KYPLDKMEULBMDF-UHFFFAOYSA-N -1 0 339.304 2.076 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2N)c([N+](=O)[O-])c1 ZINC001214174483 1296333049 /nfs/dbraw/zinc/33/30/49/1296333049.db2.gz XGNJEDWJVNNLTM-UHFFFAOYSA-N -1 0 325.321 2.425 20 5 EEBDRM CCCSc1nc(OC2CCC(O)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001218368497 1297645175 /nfs/dbraw/zinc/64/51/75/1297645175.db2.gz NFYIDCISECJULM-UHFFFAOYSA-N -1 0 329.378 2.275 20 5 EEBDRM Cc1ccc(N2CCC(Oc3[n-]c(=O)ncc3[N+](=O)[O-])CC2)cc1 ZINC001226329263 1301360559 /nfs/dbraw/zinc/36/05/59/1301360559.db2.gz GIKVLZLPZBPNPM-UHFFFAOYSA-N -1 0 330.344 2.447 20 5 EEBDRM CC[C@H]1CCCC[C@@H]1Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226652404 1301494979 /nfs/dbraw/zinc/49/49/79/1301494979.db2.gz LEHOLKQAJPABCT-IUCAKERBSA-N -1 0 325.321 2.225 20 5 EEBDRM Cc1nc(OC[C@@H]2CCC(c3ccccc3)=NO2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378267 1302754472 /nfs/dbraw/zinc/75/44/72/1302754472.db2.gz JPIAHGCABWDXSQ-LBPRGKRZSA-N -1 0 344.327 2.361 20 5 EEBDRM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001117831603 1306184130 /nfs/dbraw/zinc/18/41/30/1306184130.db2.gz RPVYHPXTMCJVNC-QMTHXVAHSA-N -1 0 326.374 2.226 20 5 EEBDRM CCOC(=O)C(C)(C)ONC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000839784323 1315244364 /nfs/dbraw/zinc/24/43/64/1315244364.db2.gz VBNKEKLXWGYVMG-QWHCGFSZSA-N -1 0 336.344 2.088 20 5 EEBDRM O=C(NC1C(=O)N=CN=C1[O-])c1ccnc2c1ccc1cccnc12 ZINC001155808542 1317742818 /nfs/dbraw/zinc/74/28/18/1317742818.db2.gz BGIHAJYCNFQANW-UHFFFAOYSA-N -1 0 333.307 2.237 20 5 EEBDRM Cn1ccc(S(=O)(=O)[N-]c2cccc3nc4ccccc4nc23)n1 ZINC001259944403 1319749061 /nfs/dbraw/zinc/74/90/61/1319749061.db2.gz VFNPXLJVAOPFLO-UHFFFAOYSA-N -1 0 339.380 2.317 20 5 EEBDRM CC(C)(C)C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(=O)[O-] ZINC001603328637 1350688714 /nfs/dbraw/zinc/68/87/14/1350688714.db2.gz YDHPQNLPWKFYDY-LLVKDONJSA-N -1 0 344.389 2.300 20 5 EEBDRM O=C([O-])[C@@H](CNc1ncc([N+](=O)[O-])cc1F)Cc1ccc(O)cc1 ZINC001608540326 1351712614 /nfs/dbraw/zinc/71/26/14/1351712614.db2.gz QNYULQLFUBSQJF-SNVBAGLBSA-N -1 0 335.291 2.190 20 5 EEBDRM O=C([O-])[C@H](c1ccc(Cl)cc1)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001608559998 1351715959 /nfs/dbraw/zinc/71/59/59/1351715959.db2.gz WADIDDIWQMXGLG-JTQLQIEISA-N -1 0 326.652 2.027 20 5 EEBDRM Cc1cc(OCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC001607700688 1351541835 /nfs/dbraw/zinc/54/18/35/1351541835.db2.gz HZZIMWCVDXCMJM-LLVKDONJSA-N -1 0 342.323 2.037 20 5 EEBDRM O=C([O-])c1ncccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001608356511 1351677685 /nfs/dbraw/zinc/67/76/85/1351677685.db2.gz QDKKAWVBSFXSCB-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM O=C([O-])[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])Cc2ccccc21 ZINC001608645763 1351732777 /nfs/dbraw/zinc/73/27/77/1351732777.db2.gz CAYHJBBWNMQEMG-CYBMUJFWSA-N -1 0 338.323 2.431 20 5 EEBDRM O=C([O-])CC1CC(OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001608693279 1351743532 /nfs/dbraw/zinc/74/35/32/1351743532.db2.gz BJUQOFKFBDZKHP-UHFFFAOYSA-N -1 0 345.311 2.191 20 5 EEBDRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001608705093 1351745138 /nfs/dbraw/zinc/74/51/38/1351745138.db2.gz CYRNLKBFCGXOCQ-NSHDSACASA-N -1 0 338.364 2.252 20 5 EEBDRM O=C([O-])c1ccc(OCc2cnn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC001608908093 1351791547 /nfs/dbraw/zinc/79/15/47/1351791547.db2.gz DHQDCQWGYZWHAF-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCC2N=NC(=S)N2C2CC2)c1 ZINC001608915438 1351793313 /nfs/dbraw/zinc/79/33/13/1351793313.db2.gz VURINSBLRGNQRG-UHFFFAOYSA-N -1 0 349.372 2.163 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CSCc2ncnn2CCF)c1 ZINC001608914833 1351793323 /nfs/dbraw/zinc/79/33/23/1351793323.db2.gz MGRCCFOSZDRROQ-UHFFFAOYSA-N -1 0 340.336 2.287 20 5 EEBDRM O=C([O-])c1ccccc1CCS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001608946211 1351800638 /nfs/dbraw/zinc/80/06/38/1351800638.db2.gz GSNKJZGVELHBOQ-UHFFFAOYSA-N -1 0 335.337 2.309 20 5 EEBDRM CSC[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001338058370 1336783061 /nfs/dbraw/zinc/78/30/61/1336783061.db2.gz CHOIHSLBSDLBKL-LLVKDONJSA-N -1 0 349.416 2.428 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC001609811232 1352091110 /nfs/dbraw/zinc/09/11/10/1352091110.db2.gz LHJSVZNLQBZCIM-KRWDZBQOSA-N -1 0 347.371 2.178 20 5 EEBDRM C[C@@]1(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCC(=O)N1 ZINC001609822717 1352094407 /nfs/dbraw/zinc/09/44/07/1352094407.db2.gz RJCQBKBEBQHVKV-ZDUSSCGKSA-N -1 0 327.724 2.027 20 5 EEBDRM CC1=C(C(=O)[O-])[C@@H](c2cc([N+](=O)[O-])ccc2Cl)NC(=S)N1 ZINC001609825914 1352095097 /nfs/dbraw/zinc/09/50/97/1352095097.db2.gz BBBVIYYQHYJXSH-SNVBAGLBSA-N -1 0 327.749 2.126 20 5 EEBDRM CCc1ncnc(CC)c1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610072993 1352156218 /nfs/dbraw/zinc/15/62/18/1352156218.db2.gz MGBRTONYOKQRIT-UHFFFAOYSA-N -1 0 344.327 2.460 20 5 EEBDRM COC(=O)[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(C(=O)[O-])c1 ZINC001610155816 1352175241 /nfs/dbraw/zinc/17/52/41/1352175241.db2.gz GILVITCJRJTSSC-HNNXBMFYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1nc([C@H]2CCCCN2c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])no1 ZINC001610437882 1352222176 /nfs/dbraw/zinc/22/21/76/1352222176.db2.gz XMLWHJQPDJCOPZ-LLVKDONJSA-N -1 0 347.331 2.419 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccn3ccnc3c2)n1 ZINC001610439670 1352222649 /nfs/dbraw/zinc/22/26/49/1352222649.db2.gz BAOLYTAYWCIJIY-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM Cc1cc(C)n([C@H](C)C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001610455336 1352225216 /nfs/dbraw/zinc/22/52/16/1352225216.db2.gz JOMQXRYKENQTNC-SNVBAGLBSA-N -1 0 333.300 2.273 20 5 EEBDRM Cc1cc(C)n([C@@H](C)C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001610455319 1352225353 /nfs/dbraw/zinc/22/53/53/1352225353.db2.gz JOMQXRYKENQTNC-JTQLQIEISA-N -1 0 333.300 2.273 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1 ZINC001610514978 1352236475 /nfs/dbraw/zinc/23/64/75/1352236475.db2.gz KBPCZCJSJBAYBT-MRXNPFEDSA-N -1 0 336.344 2.042 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001610749249 1352268588 /nfs/dbraw/zinc/26/85/88/1352268588.db2.gz VQQWALGVRCOHCN-SECBINFHSA-N -1 0 344.776 2.138 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(SCC(=O)OC(C)(C)C)n1 ZINC001600106148 1349972153 /nfs/dbraw/zinc/97/21/53/1349972153.db2.gz CEYAZBJJIOLJEM-UHFFFAOYSA-N -1 0 328.346 2.430 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H](CC(=O)[O-])C2CC2)c1F ZINC001600303852 1350015568 /nfs/dbraw/zinc/01/55/68/1350015568.db2.gz HLUKCABCFASBEO-VIFPVBQESA-N -1 0 342.298 2.412 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(CCC(=O)[O-])ccc2O)n1 ZINC001600304539 1350015653 /nfs/dbraw/zinc/01/56/53/1350015653.db2.gz XCXQSKRJXBOFFR-UHFFFAOYSA-N -1 0 345.311 2.273 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1OC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001600360763 1350030116 /nfs/dbraw/zinc/03/01/16/1350030116.db2.gz ANAIOHRNSPCSFO-CYBMUJFWSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ccc(NC(=O)N2CCSC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600452697 1350055674 /nfs/dbraw/zinc/05/56/74/1350055674.db2.gz UGXOPUDFAIZVEN-JTQLQIEISA-N -1 0 339.373 2.185 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(CCC(=O)[O-])C(C)C)c1 ZINC001600487696 1350063395 /nfs/dbraw/zinc/06/33/95/1350063395.db2.gz MAXJYTWGAZVGMC-UHFFFAOYSA-N -1 0 338.360 2.384 20 5 EEBDRM Cc1cccc2c1C[C@@H](C(=O)[O-])N2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001600555358 1350081418 /nfs/dbraw/zinc/08/14/18/1350081418.db2.gz KJJFCXMGXKTLBF-INIZCTEOSA-N -1 0 340.335 2.488 20 5 EEBDRM Cc1noc(COC(=O)CCc2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC001600814943 1350143270 /nfs/dbraw/zinc/14/32/70/1350143270.db2.gz QCBNWPSZYMTSBE-UHFFFAOYSA-N -1 0 334.284 2.265 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001600874250 1350157313 /nfs/dbraw/zinc/15/73/13/1350157313.db2.gz ILNNYTWTZBCBLO-UHFFFAOYSA-N -1 0 338.345 2.115 20 5 EEBDRM Cn1c(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])nnc1C1CCC1 ZINC001600917707 1350167764 /nfs/dbraw/zinc/16/77/64/1350167764.db2.gz JTZLBPXCAUYDMC-UHFFFAOYSA-N -1 0 331.332 2.301 20 5 EEBDRM Cn1ncc([N+](=O)[O-])c1C(=O)OCc1c(Cl)cccc1C(=O)[O-] ZINC001601028898 1350193933 /nfs/dbraw/zinc/19/39/33/1350193933.db2.gz LBDCTRBQAPVHMZ-UHFFFAOYSA-N -1 0 339.691 2.037 20 5 EEBDRM Nc1ccc(NCc2ccc(OCCCC(=O)[O-])cc2)nc1[N+](=O)[O-] ZINC001601216887 1350234043 /nfs/dbraw/zinc/23/40/43/1350234043.db2.gz UXVHBLGNDRNRSH-UHFFFAOYSA-N -1 0 346.343 2.428 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccs1 ZINC001601280182 1350247627 /nfs/dbraw/zinc/24/76/27/1350247627.db2.gz AQQDXFFXMUZFNS-AWEZNQCLSA-N -1 0 349.368 2.400 20 5 EEBDRM O=C([O-])C1CC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC001601434641 1350283338 /nfs/dbraw/zinc/28/33/38/1350283338.db2.gz QJRIYDSIEKXGCM-UHFFFAOYSA-N -1 0 336.347 2.274 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001601578049 1350311100 /nfs/dbraw/zinc/31/11/00/1350311100.db2.gz FPKMQEUZIPGYEQ-OSXSSCDZSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC001601578042 1350311393 /nfs/dbraw/zinc/31/13/93/1350311393.db2.gz FKLPWGRKVXRYDJ-DQRYNJFASA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001601703987 1350343263 /nfs/dbraw/zinc/34/32/63/1350343263.db2.gz BAPFTZOCOYBFQI-NSHDSACASA-N -1 0 349.221 2.346 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]([C@@H]2CCCO2)C1 ZINC001601826954 1350374249 /nfs/dbraw/zinc/37/42/49/1350374249.db2.gz CCODKHCQCDIWKA-YUELXQCFSA-N -1 0 348.355 2.079 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001601857908 1350382009 /nfs/dbraw/zinc/38/20/09/1350382009.db2.gz NNDROTKJTCZRSC-AWEZNQCLSA-N -1 0 346.364 2.390 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CSC1 ZINC001602030679 1350422065 /nfs/dbraw/zinc/42/20/65/1350422065.db2.gz ABOSVJFHKGZXBO-UHFFFAOYSA-N -1 0 342.398 2.007 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NC(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC001602074890 1350431398 /nfs/dbraw/zinc/43/13/98/1350431398.db2.gz VHVIVZNTUVDZGR-UHFFFAOYSA-N -1 0 333.344 2.010 20 5 EEBDRM O=C([O-])Cc1ccc(NC2CCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001602126912 1350445403 /nfs/dbraw/zinc/44/54/03/1350445403.db2.gz YGHIXSUMAYKESL-UHFFFAOYSA-N -1 0 347.371 2.035 20 5 EEBDRM O=C([O-])c1cc(F)c(COC(=O)c2ccc([N+](=O)[O-])cn2)c(F)c1 ZINC001602269125 1350482087 /nfs/dbraw/zinc/48/20/87/1350482087.db2.gz HDJRQAGSERDYIR-UHFFFAOYSA-N -1 0 338.222 2.323 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@@H](O)C(F)(F)C2)cc1Cl ZINC001602298679 1350487741 /nfs/dbraw/zinc/48/77/41/1350487741.db2.gz DRJANQAQJWLBTP-SNVBAGLBSA-N -1 0 336.678 2.153 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC([C@H]2CCOC2)C1 ZINC001602299968 1350488296 /nfs/dbraw/zinc/48/82/96/1350488296.db2.gz VQVXSYAZLBNMDW-QMMMGPOBSA-N -1 0 326.736 2.419 20 5 EEBDRM O=C([O-])c1ccc(CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC001602334363 1350496252 /nfs/dbraw/zinc/49/62/52/1350496252.db2.gz RZRVPRPLQCJXAU-UHFFFAOYSA-N -1 0 340.335 2.420 20 5 EEBDRM O=C([O-])c1cccc(OS(=O)(=O)c2cccc(F)c2)c1[N+](=O)[O-] ZINC001602452637 1350522206 /nfs/dbraw/zinc/52/22/06/1350522206.db2.gz STGYTCACTVDFRJ-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC[C@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC001602480557 1350528902 /nfs/dbraw/zinc/52/89/02/1350528902.db2.gz VBFGRQSXEBAUKH-LBPRGKRZSA-N -1 0 335.360 2.331 20 5 EEBDRM CC(=O)c1ccc(N[C@@H](CC2CCOCC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001603112569 1350642810 /nfs/dbraw/zinc/64/28/10/1350642810.db2.gz UKMBNBGTDNOCGD-AWEZNQCLSA-N -1 0 336.344 2.479 20 5 EEBDRM C[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N(C)CC(F)(F)F ZINC001603175989 1350656330 /nfs/dbraw/zinc/65/63/30/1350656330.db2.gz YUWJZCVDIRFJJO-SSDOTTSWSA-N -1 0 349.265 2.114 20 5 EEBDRM CC(C)[C@]1(C)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001603744833 1350756638 /nfs/dbraw/zinc/75/66/38/1350756638.db2.gz CJJQVGPZKZKOHG-OCCSQVGLSA-N -1 0 342.373 2.006 20 5 EEBDRM CC(C)CCN(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001603793206 1350768630 /nfs/dbraw/zinc/76/86/30/1350768630.db2.gz XCSQTTLYJXMXSM-NSHDSACASA-N -1 0 337.376 2.280 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(F)c1 ZINC001604086576 1350851701 /nfs/dbraw/zinc/85/17/01/1350851701.db2.gz UUHBVCULVBXZDU-HNNXBMFYSA-N -1 0 335.291 2.182 20 5 EEBDRM CN(Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1(C(F)(F)F)CC1 ZINC001604807215 1351011129 /nfs/dbraw/zinc/01/11/29/1351011129.db2.gz JGDSXWZLBFUPDE-UHFFFAOYSA-N -1 0 342.281 2.302 20 5 EEBDRM CC[C@@](C)(CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])OC ZINC001604906147 1351029663 /nfs/dbraw/zinc/02/96/63/1351029663.db2.gz KUQWHRBWJCGDQG-ZDUSSCGKSA-N -1 0 327.293 2.428 20 5 EEBDRM CC[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC001605116171 1351080612 /nfs/dbraw/zinc/08/06/12/1351080612.db2.gz LAWSDMUZLLEEJD-IINYFYTJSA-N -1 0 347.327 2.437 20 5 EEBDRM CC[C@H](OC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1)C(=O)[O-] ZINC001605119680 1351081098 /nfs/dbraw/zinc/08/10/98/1351081098.db2.gz CSVMFTNOSPTTNQ-ZDUSSCGKSA-N -1 0 347.327 2.168 20 5 EEBDRM CCCc1[nH]nc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1[N+](=O)[O-] ZINC001605363903 1351144685 /nfs/dbraw/zinc/14/46/85/1351144685.db2.gz GZFFBUKUOOGPTC-SSDOTTSWSA-N -1 0 337.288 2.480 20 5 EEBDRM CCCc1[nH]nc(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001605364965 1351145279 /nfs/dbraw/zinc/14/52/79/1351145279.db2.gz WETGHKRJIZLESA-LBPRGKRZSA-N -1 0 347.327 2.123 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001605774644 1351222095 /nfs/dbraw/zinc/22/20/95/1351222095.db2.gz AHKZWDJPHJNHJG-LBPRGKRZSA-N -1 0 346.343 2.216 20 5 EEBDRM CO[C@H](CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(F)(F)F ZINC001606671358 1351339914 /nfs/dbraw/zinc/33/99/14/1351339914.db2.gz WBDVLSWMRGRQJT-SECBINFHSA-N -1 0 337.206 2.166 20 5 EEBDRM CO[C@@H]1CCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC001606748230 1351350915 /nfs/dbraw/zinc/35/09/15/1351350915.db2.gz GAIUGTHHKAUHIH-RQFGCTGCSA-N -1 0 348.355 2.089 20 5 EEBDRM COc1cc(/C=C\C(=O)[O-])ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC001607155026 1351439179 /nfs/dbraw/zinc/43/91/79/1351439179.db2.gz WVCOFTCTJMFFIC-XQRVVYSFSA-N -1 0 347.327 2.285 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001607292202 1351466151 /nfs/dbraw/zinc/46/61/51/1351466151.db2.gz ZDDZCVZMRKUAOP-CJNGLKHVSA-N -1 0 334.328 2.073 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC001607292216 1351466191 /nfs/dbraw/zinc/46/61/91/1351466191.db2.gz ZLSJWZPDHUODIZ-MLGOLLRUSA-N -1 0 336.344 2.367 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](c3cccnc3)C2)n1 ZINC001607589466 1351520708 /nfs/dbraw/zinc/52/07/08/1351520708.db2.gz XXNHMCALPDVLOQ-LBPRGKRZSA-N -1 0 328.328 2.385 20 5 EEBDRM Cc1[nH]c(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC001607784141 1351558031 /nfs/dbraw/zinc/55/80/31/1351558031.db2.gz UEBGCUNRMCBCFD-UHFFFAOYSA-N -1 0 331.328 2.476 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1cc(C(=O)[O-])co1 ZINC001607826693 1351566374 /nfs/dbraw/zinc/56/63/74/1351566374.db2.gz YXHURMUPUKLTDQ-UHFFFAOYSA-N -1 0 325.298 2.168 20 5 EEBDRM Cc1noc(C)c1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001608023097 1351608499 /nfs/dbraw/zinc/60/84/99/1351608499.db2.gz CVAHMMWOARFUKF-UHFFFAOYSA-N -1 0 333.300 2.387 20 5 EEBDRM Nc1nc(SCc2ccc(C3(C(=O)[O-])CC3)cc2)ncc1[N+](=O)[O-] ZINC001608276825 1351661567 /nfs/dbraw/zinc/66/15/67/1351661567.db2.gz MERZGJHRUCCNLP-UHFFFAOYSA-N -1 0 346.368 2.376 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCC1 ZINC000838793699 1372863002 /nfs/dbraw/zinc/86/30/02/1372863002.db2.gz DEJWFQBKUFJQDZ-MRVPVSSYSA-N -1 0 346.792 2.489 20 5 EEBDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000785080205 759936971 /nfs/dbraw/zinc/93/69/71/759936971.db2.gz YNABAAHPAPVWTN-JTQLQIEISA-N -1 0 328.390 2.117 20 5 EEBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000785093652 760115948 /nfs/dbraw/zinc/11/59/48/760115948.db2.gz COCKNBVEVMGVFA-MRVPVSSYSA-N -1 0 332.403 2.175 20 5 EEBDRM Cc1cc(C(=O)OCC(=O)[N-]OCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000920899868 770894167 /nfs/dbraw/zinc/89/41/67/770894167.db2.gz GUKDIAPBXRBBAB-UHFFFAOYSA-N -1 0 344.323 2.308 20 5 EEBDRM O=C(NCc1nc(C2CC2)no1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843773093 781546130 /nfs/dbraw/zinc/54/61/30/781546130.db2.gz KOZSTBKBOPXEHE-UHFFFAOYSA-N -1 0 338.707 2.144 20 5 EEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cccc2nonc21 ZINC000820800513 786477951 /nfs/dbraw/zinc/47/79/51/786477951.db2.gz RURKVYUBELVREH-UHFFFAOYSA-N -1 0 334.313 2.073 20 5 EEBDRM Cc1occc1-c1nnc(SCc2cc([O-])ccc2[N+](=O)[O-])n1N ZINC000821063066 786582973 /nfs/dbraw/zinc/58/29/73/786582973.db2.gz BXGHSVVVQHACPX-UHFFFAOYSA-N -1 0 347.356 2.466 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000910320535 786651010 /nfs/dbraw/zinc/65/10/10/786651010.db2.gz RJPLDBNNTRSSPU-MRVPVSSYSA-N -1 0 348.327 2.450 20 5 EEBDRM CC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(OC)OC ZINC000844137300 788873948 /nfs/dbraw/zinc/87/39/48/788873948.db2.gz ONMLJZCPNHAANL-SECBINFHSA-N -1 0 332.740 2.081 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000844207915 788926287 /nfs/dbraw/zinc/92/62/87/788926287.db2.gz OIYANJHPMAFAEI-GFCCVEGCSA-N -1 0 330.344 2.329 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000845445733 789781506 /nfs/dbraw/zinc/78/15/06/789781506.db2.gz DQLGXBCZXVDWKB-MGCOHNPYSA-N -1 0 344.364 2.365 20 5 EEBDRM O=Cc1ccc(OCC(=O)[N-]OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000913587950 792890989 /nfs/dbraw/zinc/89/09/89/792890989.db2.gz LJWWGORZXRYNIS-UHFFFAOYSA-N -1 0 330.296 2.034 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(O)c1 ZINC000785491166 806501815 /nfs/dbraw/zinc/50/18/15/806501815.db2.gz OVIQRELKNFDRTR-UHFFFAOYSA-N -1 0 330.343 2.171 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc3c(c2)NC(=O)CO3)cc1[N+](=O)[O-] ZINC001174505186 797784964 /nfs/dbraw/zinc/78/49/64/797784964.db2.gz TUGZLDMLQLBWBU-UHFFFAOYSA-N -1 0 329.268 2.368 20 5 EEBDRM CCOC(=O)c1ncncc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176672690 798523617 /nfs/dbraw/zinc/52/36/17/798523617.db2.gz NISVKRKWONRRRN-UHFFFAOYSA-N -1 0 332.272 2.003 20 5 EEBDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])c1 ZINC000359411652 799274130 /nfs/dbraw/zinc/27/41/30/799274130.db2.gz MZNYWGFUWIXYLH-UHFFFAOYSA-N -1 0 344.352 2.069 20 5 EEBDRM CC1(C)CCC[C@](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)(C(=O)[O-])C1 ZINC000864170478 939255063 /nfs/dbraw/zinc/25/50/63/939255063.db2.gz YCXOMKAYCGTCBB-MRXNPFEDSA-N -1 0 335.360 2.330 20 5 EEBDRM O=C([O-])c1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 ZINC001602429979 971192643 /nfs/dbraw/zinc/19/26/43/971192643.db2.gz BXSVVBPFBPYWKU-UHFFFAOYSA-N -1 0 326.268 2.329 20 5 EEBDRM CC[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC001589577463 948973286 /nfs/dbraw/zinc/97/32/86/948973286.db2.gz KJNFJSJWPBKBOH-QMMMGPOBSA-N -1 0 332.106 2.377 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001589302880 953702501 /nfs/dbraw/zinc/70/25/01/953702501.db2.gz LOQILAFLLQWYNC-NXEZZACHSA-N -1 0 331.328 2.401 20 5 EEBDRM C[C@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC001589344155 954037572 /nfs/dbraw/zinc/03/75/72/954037572.db2.gz MIPQEZJWQYIBLE-WPRPVWTQSA-N -1 0 325.296 2.308 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001594841011 954079661 /nfs/dbraw/zinc/07/96/61/954079661.db2.gz SKQRNVHLDFARHQ-ZNMIVQPWSA-N -1 0 332.356 2.315 20 5 EEBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@H]1C(=O)[O-] ZINC001589359362 954146980 /nfs/dbraw/zinc/14/69/80/954146980.db2.gz GLGFLBRFKLSWFA-QMTHXVAHSA-N -1 0 347.371 2.034 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001594925671 954815168 /nfs/dbraw/zinc/81/51/68/954815168.db2.gz FWRRWPATZVROOH-SECBINFHSA-N -1 0 330.300 2.081 20 5 EEBDRM CC(C)[C@@H](CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001589051559 955665059 /nfs/dbraw/zinc/66/50/59/955665059.db2.gz BPRZGGMOSOBSQX-WCQYABFASA-N -1 0 337.376 2.354 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001594687855 956721417 /nfs/dbraw/zinc/72/14/17/956721417.db2.gz NAXAKWXMZATRJN-UHFFFAOYSA-N -1 0 333.275 2.398 20 5 EEBDRM O=C([O-])c1cccnc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001594705472 956838232 /nfs/dbraw/zinc/83/82/32/956838232.db2.gz RJFRWAJMXHKGFF-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM CSc1cccc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC001594192710 959172121 /nfs/dbraw/zinc/17/21/21/959172121.db2.gz HGWPPSKUVVCBPH-SNVBAGLBSA-N -1 0 326.374 2.403 20 5 EEBDRM Cc1cc(N[C@H]2CCN(c3cnn(C)c3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001261502907 960737052 /nfs/dbraw/zinc/73/70/52/960737052.db2.gz DEURIEHKEHBTCG-NSHDSACASA-N -1 0 345.359 2.026 20 5 EEBDRM CC[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001573798161 960794062 /nfs/dbraw/zinc/79/40/62/960794062.db2.gz QPUVNEVNIDJKJF-VIFPVBQESA-N -1 0 343.767 2.201 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCCCC1 ZINC001326040879 961069443 /nfs/dbraw/zinc/06/94/43/961069443.db2.gz GWOGIIQFXXZBRQ-UHFFFAOYSA-N -1 0 342.373 2.248 20 5 EEBDRM CC(C)(CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)[O-] ZINC001588775403 961278489 /nfs/dbraw/zinc/27/84/89/961278489.db2.gz FFHWDWNKGORTIS-UHFFFAOYSA-N -1 0 346.343 2.011 20 5 EEBDRM CC(C)[C@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C(=O)[O-] ZINC001588831298 961726259 /nfs/dbraw/zinc/72/62/59/961726259.db2.gz RTYSIXFGONFXSZ-NSHDSACASA-N -1 0 348.315 2.242 20 5 EEBDRM C[C@H](C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001603355180 972798104 /nfs/dbraw/zinc/79/81/04/972798104.db2.gz PDNBDHCRMRBESS-VWYCJHECSA-N -1 0 338.335 2.407 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[C@@H]1C(=O)[O-] ZINC001603470395 973335930 /nfs/dbraw/zinc/33/59/30/973335930.db2.gz HSLKPJSHCDGHTN-GWCFXTLKSA-N -1 0 347.371 2.034 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC=C(Br)C2)c1[N+](=O)[O-] ZINC000404409802 973723984 /nfs/dbraw/zinc/72/39/84/973723984.db2.gz NXVBZJHSJLYBTO-UHFFFAOYSA-N -1 0 328.122 2.177 20 5 EEBDRM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@]1(C)C(=O)[O-] ZINC000710243517 977497118 /nfs/dbraw/zinc/49/71/18/977497118.db2.gz FUDNTUIKBZQSRP-MADCSZMMSA-N -1 0 344.165 2.299 20 5 EEBDRM C[C@H](CC(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])n1ccnc1 ZINC001592433954 978071333 /nfs/dbraw/zinc/07/13/33/978071333.db2.gz ROXDIDBNKZIFEC-SNVBAGLBSA-N -1 0 333.300 2.184 20 5 EEBDRM C[C@H](CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592655796 978639648 /nfs/dbraw/zinc/63/96/48/978639648.db2.gz WAXKREUZDUXGFX-BDJLRTHQSA-N -1 0 335.360 2.205 20 5 EEBDRM C[C@@H](Cc1ccco1)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001592900335 979821150 /nfs/dbraw/zinc/82/11/50/979821150.db2.gz SPTYFPCMPVVWAU-JTQLQIEISA-N -1 0 347.327 2.045 20 5 EEBDRM CC[C@@](COC)(NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001595199526 979942244 /nfs/dbraw/zinc/94/22/44/979942244.db2.gz JHFGFXXJVBXDME-INIZCTEOSA-N -1 0 349.343 2.219 20 5 EEBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC001589461752 986912064 /nfs/dbraw/zinc/91/20/64/986912064.db2.gz GWGYQXFRDBSJQX-ZUZCIYMTSA-N -1 0 343.339 2.369 20 5 EEBDRM C[C@H](C(=O)OCc1cnc(C(=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1F ZINC001589546791 987268244 /nfs/dbraw/zinc/26/82/44/987268244.db2.gz IISKMUXHTRJEEL-QMMMGPOBSA-N -1 0 349.274 2.069 20 5 EEBDRM CS[C@H](CO)[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599786509 987931427 /nfs/dbraw/zinc/93/14/27/987931427.db2.gz CSLKZZXOFCGTLI-IMTBSYHQSA-N -1 0 334.781 2.471 20 5 EEBDRM CSc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC001599810251 988322317 /nfs/dbraw/zinc/32/23/17/988322317.db2.gz NFUKZZYIHGJDRE-YTWAJWBKSA-N -1 0 336.369 2.156 20 5 EEBDRM CSc1ccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599820662 988507729 /nfs/dbraw/zinc/50/77/29/988507729.db2.gz HLETZFCIVYMODL-UHFFFAOYSA-N -1 0 336.329 2.299 20 5 EEBDRM CC(C)(C)[S@](C)(=O)=NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001590425632 989973505 /nfs/dbraw/zinc/97/35/05/989973505.db2.gz GDSGKORFBLEXQT-QFIPXVFZSA-N -1 0 328.346 2.330 20 5 EEBDRM CC(C)(CSCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC001590812113 990643248 /nfs/dbraw/zinc/64/32/48/990643248.db2.gz HPKJYDGGGSVISW-UHFFFAOYSA-N -1 0 338.385 2.328 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NC(C2CC2)C2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170451 994026507 /nfs/dbraw/zinc/02/65/07/994026507.db2.gz LRTXJJFMICHRJD-VIFPVBQESA-N -1 0 347.371 2.398 20 5 EEBDRM C[C@](NC(=O)c1ccccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593178766 994057992 /nfs/dbraw/zinc/05/79/92/994057992.db2.gz GVFBUEIZQPZPIM-MRXNPFEDSA-N -1 0 332.287 2.464 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001599621384 994088369 /nfs/dbraw/zinc/08/83/69/994088369.db2.gz HALWFVJTMIENGD-LBPRGKRZSA-N -1 0 336.325 2.221 20 5 EEBDRM COc1cccc(C(=O)NCCc2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC001599642424 994377877 /nfs/dbraw/zinc/37/78/77/994377877.db2.gz LTRIYPRTDDOMOS-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM COc1cccc(C(=O)[O-])c1OC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001599646276 994428733 /nfs/dbraw/zinc/42/87/33/994428733.db2.gz VLOMVKGGNWGKFX-CYBMUJFWSA-N -1 0 333.296 2.414 20 5 EEBDRM C[C@@H](Sc1nc(C(=O)[O-])c[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001593680148 996106235 /nfs/dbraw/zinc/10/62/35/996106235.db2.gz VJUSWUTXHWFQCQ-SSDOTTSWSA-N -1 0 336.329 2.135 20 5 EEBDRM C[C@@H](c1ccccc1)[C@@H](O)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001593706257 996195532 /nfs/dbraw/zinc/19/55/32/996195532.db2.gz ORIYBHMFBHGIKE-HZMBPMFUSA-N -1 0 331.328 2.265 20 5 EEBDRM CC1(C)C[C@@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CO1 ZINC001593859934 996653553 /nfs/dbraw/zinc/65/35/53/996653553.db2.gz PTYXVXNEIZSJHB-SSDOTTSWSA-N -1 0 325.277 2.181 20 5 EEBDRM C[C@@]1(NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC=CCC1 ZINC001594061832 997854580 /nfs/dbraw/zinc/85/45/80/997854580.db2.gz MNPRGRAKVZACPM-CQSZACIVSA-N -1 0 340.357 2.070 20 5 EEBDRM COc1cc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599355124 998165895 /nfs/dbraw/zinc/16/58/95/998165895.db2.gz WAYMDEDHPMGYBN-UHFFFAOYSA-N -1 0 333.300 2.499 20 5 EEBDRM COCCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001599248629 998190108 /nfs/dbraw/zinc/19/01/08/998190108.db2.gz CUBAGYXCYRTNST-SECBINFHSA-N -1 0 344.751 2.188 20 5 EEBDRM COC(=O)c1ccc(OC(=O)CC(C)(C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598984504 998687872 /nfs/dbraw/zinc/68/78/72/998687872.db2.gz NTIHWGCVYMLWNG-UHFFFAOYSA-N -1 0 339.300 2.178 20 5 EEBDRM C[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC[S@]1=O ZINC001594431753 999606686 /nfs/dbraw/zinc/60/66/86/999606686.db2.gz LYEQUVFPDUZESA-CWMRNNLJSA-N -1 0 346.792 2.294 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@]1(O)CCc2ccccc2C1 ZINC000375073203 303999302 /nfs/dbraw/zinc/99/93/02/303999302.db2.gz DBOZEBWPJKMRPT-KRWDZBQOSA-N -1 0 328.324 2.159 20 5 EEBDRM O=C([O-])C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000236415615 304041945 /nfs/dbraw/zinc/04/19/45/304041945.db2.gz ILOMKHGHFBFLCW-UHFFFAOYSA-N -1 0 330.138 2.053 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC2 ZINC000268953216 201229562 /nfs/dbraw/zinc/22/95/62/201229562.db2.gz VEUHWRIFUVSFHB-ZRFDWSJLSA-N -1 0 330.340 2.321 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC2 ZINC000268953215 201229644 /nfs/dbraw/zinc/22/96/44/201229644.db2.gz VEUHWRIFUVSFHB-BOTMBNHJSA-N -1 0 330.340 2.321 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC000274965277 201274647 /nfs/dbraw/zinc/27/46/47/201274647.db2.gz IBIUPPDBTYXAQP-LBPRGKRZSA-N -1 0 344.389 2.071 20 5 EEBDRM COc1ccc(CNCc2ccc(C(=O)[O-])c(C)n2)cc1[N+](=O)[O-] ZINC000426652412 241322684 /nfs/dbraw/zinc/32/26/84/241322684.db2.gz UAYPNJITRMCMSK-UHFFFAOYSA-N -1 0 331.328 2.295 20 5 EEBDRM CC(C)C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000236763982 242349461 /nfs/dbraw/zinc/34/94/61/242349461.db2.gz BJRXMOOBWYGGHF-CQSZACIVSA-N -1 0 337.376 2.402 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)[O-] ZINC000237403653 242622078 /nfs/dbraw/zinc/62/20/78/242622078.db2.gz HOGXFXVUBDWJLO-LBPRGKRZSA-N -1 0 349.387 2.378 20 5 EEBDRM Cc1cccc2nc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n(C)c21 ZINC000164956709 255811708 /nfs/dbraw/zinc/81/17/08/255811708.db2.gz KKHCAAMWASDBQX-UHFFFAOYSA-N -1 0 340.339 2.426 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000267500309 256064785 /nfs/dbraw/zinc/06/47/85/256064785.db2.gz KJPBUNPUSVCUKD-UHFFFAOYSA-N -1 0 343.386 2.478 20 5 EEBDRM Cc1[nH]nc2ncc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc12 ZINC000089267627 292207772 /nfs/dbraw/zinc/20/77/72/292207772.db2.gz NFAWJVKUUMWMDU-UHFFFAOYSA-N -1 0 347.356 2.284 20 5 EEBDRM C[S@](=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000115724190 152036758 /nfs/dbraw/zinc/03/67/58/152036758.db2.gz NZZJCAFOHNCPDO-HSZRJFAPSA-N -1 0 334.353 2.431 20 5 EEBDRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000355853655 153170801 /nfs/dbraw/zinc/17/08/01/153170801.db2.gz FYZUHNNPTPJBDZ-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2C)c([N+](=O)[O-])c1 ZINC000128708529 292346388 /nfs/dbraw/zinc/34/63/88/292346388.db2.gz FZKZIHTVQGZTDF-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000263336228 160457829 /nfs/dbraw/zinc/45/78/29/160457829.db2.gz MNGWGLZVMZYWMX-GXSJLCMTSA-N -1 0 340.763 2.360 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)Cc2ccccc21 ZINC000321347092 160536681 /nfs/dbraw/zinc/53/66/81/160536681.db2.gz ROZVTUFRAOTLFR-NSHDSACASA-N -1 0 332.337 2.481 20 5 EEBDRM COc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000325644278 160542889 /nfs/dbraw/zinc/54/28/89/160542889.db2.gz XCBVCELUGBXAQJ-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM C[C@H](CC(=O)[O-])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237647766 160223995 /nfs/dbraw/zinc/22/39/95/160223995.db2.gz YOGAGHQEMRTDBC-MRVPVSSYSA-N -1 0 335.341 2.311 20 5 EEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)o1 ZINC000342428801 161064706 /nfs/dbraw/zinc/06/47/06/161064706.db2.gz HBKOZXARNYPELZ-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM O=C(NC[C@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000369289385 166229182 /nfs/dbraw/zinc/22/91/82/166229182.db2.gz ZKPZXCVCZZRWBH-MRXNPFEDSA-N -1 0 328.324 2.344 20 5 EEBDRM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000274959645 269079638 /nfs/dbraw/zinc/07/96/38/269079638.db2.gz BGPBCSBDEDOSGJ-RNCFNFMXSA-N -1 0 344.389 2.023 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000280867187 269395630 /nfs/dbraw/zinc/39/56/30/269395630.db2.gz DISSWRHYWPOVKU-QMMMGPOBSA-N -1 0 338.307 2.448 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000281794894 269445963 /nfs/dbraw/zinc/44/59/63/269445963.db2.gz HXBLQLMVEDXMFK-UDBCLFQLSA-N -1 0 330.340 2.321 20 5 EEBDRM O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000290924584 275252944 /nfs/dbraw/zinc/25/29/44/275252944.db2.gz MVKMLELNRQGUFW-KSSFIOAISA-N -1 0 342.351 2.196 20 5 EEBDRM Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000376092042 303005871 /nfs/dbraw/zinc/00/58/71/303005871.db2.gz FAXSMBWTYCTALW-NSHDSACASA-N -1 0 330.344 2.054 20 5 EEBDRM Cn1cnc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2)n1 ZINC000182083388 303012558 /nfs/dbraw/zinc/01/25/58/303012558.db2.gz VNUKFEJVOAYOAD-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)c1C ZINC000161358958 311365190 /nfs/dbraw/zinc/36/51/90/311365190.db2.gz HZCDDMZWEUTGJT-JOCQHMNTSA-N -1 0 342.417 2.041 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](O)Cc1ccccc1 ZINC000163693099 311385643 /nfs/dbraw/zinc/38/56/43/311385643.db2.gz CRTQTAULKHRFAK-XHDPSFHLSA-N -1 0 330.340 2.022 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)[n-]1 ZINC000415639398 313157598 /nfs/dbraw/zinc/15/75/98/313157598.db2.gz QBBMKANMFFYOFO-UHFFFAOYSA-N -1 0 348.315 2.146 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccnc(NC(=O)C2CC2)c1 ZINC000436561451 314975346 /nfs/dbraw/zinc/97/53/46/314975346.db2.gz CKKPSXBGMSYZTR-UHFFFAOYSA-N -1 0 342.311 2.296 20 5 EEBDRM COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])nc1C ZINC000436596312 314978896 /nfs/dbraw/zinc/97/88/96/314978896.db2.gz PWAYJSRSROBIFG-UHFFFAOYSA-N -1 0 337.313 2.104 20 5 EEBDRM CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436949395 315014967 /nfs/dbraw/zinc/01/49/67/315014967.db2.gz XFFDUPJTVDGPGC-LBPRGKRZSA-N -1 0 344.323 2.212 20 5 EEBDRM O=C(Nc1ccc(OC2COC2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000444531135 315305700 /nfs/dbraw/zinc/30/57/00/315305700.db2.gz JLSPTFFMOXSAOO-UHFFFAOYSA-N -1 0 330.296 2.330 20 5 EEBDRM O=C(Nc1ccc(OC2COC2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000444523181 315305756 /nfs/dbraw/zinc/30/57/56/315305756.db2.gz CZMZUFJQJANHFZ-UHFFFAOYSA-N -1 0 330.296 2.330 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](OCC(F)(F)F)C1 ZINC000518239136 316714530 /nfs/dbraw/zinc/71/45/30/316714530.db2.gz RLNIWCAUDCYTDH-JTQLQIEISA-N -1 0 348.277 2.484 20 5 EEBDRM CN(Cc1nc2ccccc2[nH]1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000532020466 317835129 /nfs/dbraw/zinc/83/51/29/317835129.db2.gz HEJGTZWGWUDFJZ-UHFFFAOYSA-N -1 0 326.312 2.449 20 5 EEBDRM CCNC(=O)c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000542803164 318141950 /nfs/dbraw/zinc/14/19/50/318141950.db2.gz UZUVTYMWMWRNOC-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569007039 319539040 /nfs/dbraw/zinc/53/90/40/319539040.db2.gz CBXODXXKOKMWLI-ONGXEEELSA-N -1 0 342.373 2.102 20 5 EEBDRM CCCC[C@@H](NS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000569853201 319614275 /nfs/dbraw/zinc/61/42/75/319614275.db2.gz QXEHSBVOWIVQQO-GFCCVEGCSA-N -1 0 344.389 2.079 20 5 EEBDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000572163971 319821751 /nfs/dbraw/zinc/82/17/51/319821751.db2.gz IMJBDNAHQXHJFW-LBPRGKRZSA-N -1 0 342.355 2.403 20 5 EEBDRM O=C(NCc1noc(-c2cccs2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000578255762 320304300 /nfs/dbraw/zinc/30/43/00/320304300.db2.gz XOAMQCHHHWLPNL-UHFFFAOYSA-N -1 0 346.324 2.342 20 5 EEBDRM C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000390973390 323546319 /nfs/dbraw/zinc/54/63/19/323546319.db2.gz PSMGFNSBAFBXAP-WDEREUQCSA-N -1 0 344.389 2.153 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000392650035 323550317 /nfs/dbraw/zinc/55/03/17/323550317.db2.gz AHQHITZCBXLGIJ-OAHLLOKOSA-N -1 0 349.387 2.470 20 5 EEBDRM COCCOc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1 ZINC000579983583 323970284 /nfs/dbraw/zinc/97/02/84/323970284.db2.gz ZQFAUQLACNOBMO-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000581525524 324270318 /nfs/dbraw/zinc/27/03/18/324270318.db2.gz RQDXSFDWYLLBQF-GFCCVEGCSA-N -1 0 343.339 2.353 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000336878997 465075113 /nfs/dbraw/zinc/07/51/13/465075113.db2.gz KMRUGAYINJSCLP-UHFFFAOYSA-N -1 0 326.308 2.492 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCS(=O)(=O)c2ccccc2C1 ZINC000339092677 465077398 /nfs/dbraw/zinc/07/73/98/465077398.db2.gz ZXGYFVPLHIGLKR-UHFFFAOYSA-N -1 0 348.380 2.090 20 5 EEBDRM COC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000351514726 465195570 /nfs/dbraw/zinc/19/55/70/465195570.db2.gz CXWRPGDHXHMJLT-CQSZACIVSA-N -1 0 330.340 2.288 20 5 EEBDRM C[NH+](C)CCOc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356330218 465315722 /nfs/dbraw/zinc/31/57/22/465315722.db2.gz BMIGKXKIHCJZHA-UHFFFAOYSA-N -1 0 345.355 2.493 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cn1 ZINC000007323476 462729526 /nfs/dbraw/zinc/72/95/26/462729526.db2.gz YLHHHMFJWFUGRR-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM C=CC(=O)NCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000092545891 462961396 /nfs/dbraw/zinc/96/13/96/462961396.db2.gz OWSMUHQUQFQUNY-UHFFFAOYSA-N -1 0 341.323 2.355 20 5 EEBDRM C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092548912 462961995 /nfs/dbraw/zinc/96/19/95/462961995.db2.gz XJFLITGZWBVCSY-SNVBAGLBSA-N -1 0 335.360 2.324 20 5 EEBDRM CN(C)C(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1F ZINC000158098701 463203800 /nfs/dbraw/zinc/20/38/00/463203800.db2.gz YUPAKNCIJJZEMM-UHFFFAOYSA-N -1 0 347.302 2.394 20 5 EEBDRM COc1cccnc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000069676546 463301046 /nfs/dbraw/zinc/30/10/46/463301046.db2.gz NVQOZCDGXROKDL-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000145608589 463382464 /nfs/dbraw/zinc/38/24/64/463382464.db2.gz UWAJDXXXAQEVLR-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000568586570 468357703 /nfs/dbraw/zinc/35/77/03/468357703.db2.gz CHWRLDFHRODXEB-CYBMUJFWSA-N -1 0 349.368 2.324 20 5 EEBDRM CCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H](CC)C(=O)OCC ZINC000276741858 463739657 /nfs/dbraw/zinc/73/96/57/463739657.db2.gz FABIYCQNZDXCCF-GFCCVEGCSA-N -1 0 338.360 2.494 20 5 EEBDRM COC(=O)c1cc(CN(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)oc1C ZINC000269124044 463883064 /nfs/dbraw/zinc/88/30/64/463883064.db2.gz IKJGNJJQCKAOLR-UHFFFAOYSA-N -1 0 348.311 2.261 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(CC(C)C)o1 ZINC000194858591 463944467 /nfs/dbraw/zinc/94/44/67/463944467.db2.gz CLLHFKMTUFGFJP-UHFFFAOYSA-N -1 0 340.361 2.286 20 5 EEBDRM CCOc1ccc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263371358 464093881 /nfs/dbraw/zinc/09/38/81/464093881.db2.gz VLUVXXNTJYJZDA-JQWIXIFHSA-N -1 0 336.344 2.176 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCC[C@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000263568486 464131782 /nfs/dbraw/zinc/13/17/82/464131782.db2.gz HBNHZTNPKIQYFU-CQSZACIVSA-N -1 0 336.344 2.372 20 5 EEBDRM CCC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236895098 464234550 /nfs/dbraw/zinc/23/45/50/464234550.db2.gz PWICKTRZEOUQEK-GFCCVEGCSA-N -1 0 335.360 2.178 20 5 EEBDRM O=C(/C=C\c1ccco1)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000492382154 468400734 /nfs/dbraw/zinc/40/07/34/468400734.db2.gz GEKNZIGJSIRZGV-XQRVVYSFSA-N -1 0 345.311 2.052 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000237657657 464360158 /nfs/dbraw/zinc/36/01/58/464360158.db2.gz HISCVUBCEHWFQE-MRXNPFEDSA-N -1 0 333.344 2.106 20 5 EEBDRM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285200608 464485729 /nfs/dbraw/zinc/48/57/29/464485729.db2.gz OLCBBFLURHQKPI-ZETCQYMHSA-N -1 0 340.760 2.091 20 5 EEBDRM CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272370437 464581758 /nfs/dbraw/zinc/58/17/58/464581758.db2.gz GWVONMJKFWIEGD-GFCCVEGCSA-N -1 0 336.344 2.247 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000190944057 464749106 /nfs/dbraw/zinc/74/91/06/464749106.db2.gz AYZKEYMSAFWBAG-UHFFFAOYSA-N -1 0 332.316 2.053 20 5 EEBDRM CC[C@H](COCC(F)(F)F)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000295318536 464787928 /nfs/dbraw/zinc/78/79/28/464787928.db2.gz CYXAOCMOYWJRQD-SECBINFHSA-N -1 0 336.266 2.388 20 5 EEBDRM CC(C)(C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1)C(N)=O ZINC000295790680 464964728 /nfs/dbraw/zinc/96/47/28/464964728.db2.gz DKNDDIVDTNDDQS-LLVKDONJSA-N -1 0 349.387 2.054 20 5 EEBDRM O=C(NCc1ccnc(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184622379 465010105 /nfs/dbraw/zinc/01/01/05/465010105.db2.gz UALFIGUIDRVKFE-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000193015895 465022713 /nfs/dbraw/zinc/02/27/13/465022713.db2.gz LHBGKQKNSAYBCG-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM COc1cc(CN(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1O ZINC000356351714 465331241 /nfs/dbraw/zinc/33/12/41/465331241.db2.gz DQZWWLZEFZBVAN-UHFFFAOYSA-N -1 0 332.312 2.287 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000351763244 465347351 /nfs/dbraw/zinc/34/73/51/465347351.db2.gz OCJPGMLTQADLGO-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000298416875 465389134 /nfs/dbraw/zinc/38/91/34/465389134.db2.gz OAGYTJXTRBNMKZ-JTQLQIEISA-N -1 0 347.293 2.057 20 5 EEBDRM O=C(Nc1nncn1-c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356729277 465510450 /nfs/dbraw/zinc/51/04/50/465510450.db2.gz OEYXRKHFMJBDAL-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356849332 465574881 /nfs/dbraw/zinc/57/48/81/465574881.db2.gz UPNQQSIQYXGAQX-HNNXBMFYSA-N -1 0 344.323 2.287 20 5 EEBDRM O=c1[nH]c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2o1 ZINC000357345677 465968525 /nfs/dbraw/zinc/96/85/25/465968525.db2.gz ZBOLLBVYLLHGMD-UHFFFAOYSA-N -1 0 335.297 2.242 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000347137796 466420879 /nfs/dbraw/zinc/42/08/79/466420879.db2.gz QHMNOXRTHBUXMA-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC2(O)CCC2)c(Cl)c1 ZINC000420718070 467462004 /nfs/dbraw/zinc/46/20/04/467462004.db2.gz MYUQWAYXUODKJO-UHFFFAOYSA-N -1 0 348.808 2.222 20 5 EEBDRM COc1ccc(OC)c(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436632496 467548086 /nfs/dbraw/zinc/54/80/86/467548086.db2.gz AUKCKTNUYGVVGJ-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493273129 467876760 /nfs/dbraw/zinc/87/67/60/467876760.db2.gz WWXQKYOMRFHZFR-LQYUOIDQSA-N -1 0 348.355 2.090 20 5 EEBDRM COC[C@]1(C)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000514675510 467948231 /nfs/dbraw/zinc/94/82/31/467948231.db2.gz ODNSKOUWLLBQSC-CQSZACIVSA-N -1 0 328.752 2.452 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000532000383 468088953 /nfs/dbraw/zinc/08/89/53/468088953.db2.gz VQADTDRBNVGARN-UHFFFAOYSA-N -1 0 346.343 2.379 20 5 EEBDRM CC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000567990458 468252238 /nfs/dbraw/zinc/25/22/38/468252238.db2.gz MWXOEVYGELMGMR-BXKDBHETSA-N -1 0 344.389 2.071 20 5 EEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1noc(C(F)F)n1 ZINC000591784936 468522043 /nfs/dbraw/zinc/52/20/43/468522043.db2.gz YOYQJFSXIGIIRB-YFKPBYRVSA-N -1 0 328.231 2.112 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(CCF)c2)cc1[N+](=O)[O-] ZINC000600659619 468612364 /nfs/dbraw/zinc/61/23/64/468612364.db2.gz HKOZHZXALMTUBX-UHFFFAOYSA-N -1 0 342.352 2.178 20 5 EEBDRM C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000594529624 468615765 /nfs/dbraw/zinc/61/57/65/468615765.db2.gz SLNHGZYDSYIDCD-SSDOTTSWSA-N -1 0 349.265 2.134 20 5 EEBDRM CO[C@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000600675890 468617992 /nfs/dbraw/zinc/61/79/92/468617992.db2.gz QKROZTOCCRQCNZ-CYBMUJFWSA-N -1 0 348.277 2.289 20 5 EEBDRM Cc1nn(C)c(N2CCc3c(F)ccc(C(=O)[O-])c3C2)c1[N+](=O)[O-] ZINC000600677698 468618731 /nfs/dbraw/zinc/61/87/31/468618731.db2.gz JSILRHGNIZJERO-UHFFFAOYSA-N -1 0 334.307 2.037 20 5 EEBDRM CN(CCC(C)(C)C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000592156465 468641661 /nfs/dbraw/zinc/64/16/61/468641661.db2.gz SMJCCYAZVWIMSA-UHFFFAOYSA-N -1 0 344.389 2.350 20 5 EEBDRM C[C@](NC(=O)c1cc(C2CC2)no1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877742 468673311 /nfs/dbraw/zinc/67/33/11/468673311.db2.gz SRZRCQZRONGEKF-MRXNPFEDSA-N -1 0 345.311 2.190 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C(=O)NCc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000570923180 468714117 /nfs/dbraw/zinc/71/41/17/468714117.db2.gz JVYZAPPJFIZZCB-ZDUSSCGKSA-N -1 0 335.360 2.440 20 5 EEBDRM Cc1cc(N2CCC[C@H](Cn3ccnn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571288080 468767076 /nfs/dbraw/zinc/76/70/76/468767076.db2.gz NMYQDGUCHBKOPH-LBPRGKRZSA-N -1 0 345.359 2.110 20 5 EEBDRM CC(C)Cc1nc(=NC(=O)COc2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000598190774 468790393 /nfs/dbraw/zinc/79/03/93/468790393.db2.gz HJLYQAFLLNCJAK-UHFFFAOYSA-N -1 0 336.373 2.084 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000595244918 468791480 /nfs/dbraw/zinc/79/14/80/468791480.db2.gz OASOSXDPJCWHSE-SBTGLGLWSA-N -1 0 336.369 2.151 20 5 EEBDRM O=C([O-])c1cnc(N2CCOC(C3CC3)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000595277249 468798474 /nfs/dbraw/zinc/79/84/74/468798474.db2.gz AYTDWNBSPMSIRI-UHFFFAOYSA-N -1 0 333.344 2.083 20 5 EEBDRM CCc1ccc(S(=O)(=O)N[C@@H](C)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000571766254 468836943 /nfs/dbraw/zinc/83/69/43/468836943.db2.gz FIBQXGZZFVHGBA-JTQLQIEISA-N -1 0 344.389 2.079 20 5 EEBDRM CC1(C)CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000572725430 468982747 /nfs/dbraw/zinc/98/27/47/468982747.db2.gz MSXGUKUVRIDRHI-MRVPVSSYSA-N -1 0 349.265 2.234 20 5 EEBDRM CC(C)O[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000593696638 469099704 /nfs/dbraw/zinc/09/97/04/469099704.db2.gz AEZNRZBRKFEOSD-AWEZNQCLSA-N -1 0 336.344 2.323 20 5 EEBDRM CC[C@H]1COC(C)(C)CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000593697178 469099857 /nfs/dbraw/zinc/09/98/57/469099857.db2.gz PKUBDZWKISRVOX-LBPRGKRZSA-N -1 0 336.344 2.323 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2C[C@H](C(=O)[O-])CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000595972364 469102222 /nfs/dbraw/zinc/10/22/22/469102222.db2.gz AZXJZDOAGSKMJE-DGCLKSJQSA-N -1 0 349.387 2.423 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](CC(=O)[O-])CC(C)C)n1 ZINC000595971705 469102394 /nfs/dbraw/zinc/10/23/94/469102394.db2.gz RMWQMZJGOLXGBU-JTQLQIEISA-N -1 0 339.348 2.325 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000595988699 469107684 /nfs/dbraw/zinc/10/76/84/469107684.db2.gz INCRRYZKQKWWHL-AWEZNQCLSA-N -1 0 336.344 2.111 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000596002669 469112418 /nfs/dbraw/zinc/11/24/18/469112418.db2.gz LKXOKQPCBNIOSP-LLVKDONJSA-N -1 0 326.736 2.479 20 5 EEBDRM COc1ccc(C)cc1CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563206421 469198905 /nfs/dbraw/zinc/19/89/05/469198905.db2.gz JZYZMOYSSMFHJR-UHFFFAOYSA-N -1 0 331.328 2.660 20 5 EEBDRM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000611508397 469266852 /nfs/dbraw/zinc/26/68/52/469266852.db2.gz DGCHVYRLDPBVLJ-FZMZJTMJSA-N -1 0 330.340 2.195 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2cccnc2)ccc1[O-] ZINC000612056324 469378848 /nfs/dbraw/zinc/37/88/48/469378848.db2.gz INWTZFFSFGSPQI-ZDUSSCGKSA-N -1 0 349.368 2.221 20 5 EEBDRM COCCN(Cc1ccccn1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000603870643 469438402 /nfs/dbraw/zinc/43/84/02/469438402.db2.gz OKORXBGNRCNXIM-UHFFFAOYSA-N -1 0 331.328 2.341 20 5 EEBDRM CN(C1Cc2ccccc2C1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000604369502 469473659 /nfs/dbraw/zinc/47/36/59/469473659.db2.gz YEBHQDJQWXEBEZ-UHFFFAOYSA-N -1 0 348.380 2.088 20 5 EEBDRM CC(C)Oc1ncccc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613896182 469812246 /nfs/dbraw/zinc/81/22/46/469812246.db2.gz RGHSSCGTGNQEIO-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000618023555 469875950 /nfs/dbraw/zinc/87/59/50/469875950.db2.gz DFLUNVARACPNEE-SFYZADRCSA-N -1 0 328.346 2.137 20 5 EEBDRM CC(C)([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccs1 ZINC000610264305 469996486 /nfs/dbraw/zinc/99/64/86/469996486.db2.gz ITLNXMQSFUAMGU-UHFFFAOYSA-N -1 0 327.387 2.265 20 5 EEBDRM CC(C)c1nnc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])o1 ZINC000187041295 528459774 /nfs/dbraw/zinc/45/97/74/528459774.db2.gz IWQPTMFCNWVHLD-UHFFFAOYSA-N -1 0 340.361 2.086 20 5 EEBDRM CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)[O-] ZINC000236960257 535799657 /nfs/dbraw/zinc/79/96/57/535799657.db2.gz RYSIYVHANVKHJD-CYBMUJFWSA-N -1 0 335.360 2.178 20 5 EEBDRM COc1cccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1OC ZINC000738118765 578000079 /nfs/dbraw/zinc/00/00/79/578000079.db2.gz BJQSDQVYWQAZAL-UHFFFAOYSA-N -1 0 333.300 2.317 20 5 EEBDRM Cc1cc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc([N+](=O)[O-])c1 ZINC000738354195 578010448 /nfs/dbraw/zinc/01/04/48/578010448.db2.gz ZNKAYTXOZANOJK-UHFFFAOYSA-N -1 0 333.252 2.234 20 5 EEBDRM COc1ccccc1OCCN(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738127240 576595184 /nfs/dbraw/zinc/59/51/84/576595184.db2.gz MESCMBUUMLNQQA-UHFFFAOYSA-N -1 0 347.327 2.212 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000732906788 577196794 /nfs/dbraw/zinc/19/67/94/577196794.db2.gz PWNXVBUHWNUSSV-NSHDSACASA-N -1 0 328.390 2.020 20 5 EEBDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775203774 577432763 /nfs/dbraw/zinc/43/27/63/577432763.db2.gz FUZUSPNHDKRXJJ-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM O=C(O[C@@H]1CCOC[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000767015966 577528907 /nfs/dbraw/zinc/52/89/07/577528907.db2.gz HOLWURMUVVGPOI-CABCVRRESA-N -1 0 346.339 2.454 20 5 EEBDRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000769244943 577573112 /nfs/dbraw/zinc/57/31/12/577573112.db2.gz UVRPXLPAYOZAKR-UHFFFAOYSA-N -1 0 332.297 2.378 20 5 EEBDRM CN(OCc1ccccc1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000762364015 577699910 /nfs/dbraw/zinc/69/99/10/577699910.db2.gz KVWIKTUCJUTFCX-UHFFFAOYSA-N -1 0 330.296 2.497 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2nonc21 ZINC000753015374 577780053 /nfs/dbraw/zinc/78/00/53/577780053.db2.gz LAAHSSKJQFUTEE-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755136361 577820338 /nfs/dbraw/zinc/82/03/38/577820338.db2.gz AAGUGAIAAVTKTP-AWEZNQCLSA-N -1 0 332.360 2.342 20 5 EEBDRM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000745497661 577914460 /nfs/dbraw/zinc/91/44/60/577914460.db2.gz UHQPEJJUCYIETH-UHFFFAOYSA-N -1 0 346.299 2.051 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000739202314 578043761 /nfs/dbraw/zinc/04/37/61/578043761.db2.gz DHRWFNYVJOZOAN-CYBMUJFWSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])c1cc(NC(=O)COc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000739336281 578048921 /nfs/dbraw/zinc/04/89/21/578048921.db2.gz AZQZIWRNTKMGHF-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)o1 ZINC000740125788 578081863 /nfs/dbraw/zinc/08/18/63/578081863.db2.gz NAQHMXNEZYUPIN-UHFFFAOYSA-N -1 0 329.268 2.297 20 5 EEBDRM C[C@@H](NC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000736644515 578216126 /nfs/dbraw/zinc/21/61/26/578216126.db2.gz APQIBFBDJBHRBS-PWSUYJOCSA-N -1 0 336.348 2.097 20 5 EEBDRM CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000737323027 578250311 /nfs/dbraw/zinc/25/03/11/578250311.db2.gz UWSZJILMLSVAPI-MRXNPFEDSA-N -1 0 343.339 2.291 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000263508093 596910397 /nfs/dbraw/zinc/91/03/97/596910397.db2.gz WLSDOXBIHXFKHO-SSDOTTSWSA-N -1 0 345.258 2.135 20 5 EEBDRM O=C([O-])C1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCC1 ZINC000237975236 597035079 /nfs/dbraw/zinc/03/50/79/597035079.db2.gz HPTXSDXWPHEFAE-UHFFFAOYSA-N -1 0 333.344 2.296 20 5 EEBDRM Cc1c(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000820944663 597354031 /nfs/dbraw/zinc/35/40/31/597354031.db2.gz JGMHWLKLUSMKLZ-OAHLLOKOSA-N -1 0 342.351 2.258 20 5 EEBDRM O=C([O-])c1cccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000821549127 598145424 /nfs/dbraw/zinc/14/54/24/598145424.db2.gz HTZVYEIKXVWBAZ-UHFFFAOYSA-N -1 0 329.264 2.333 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000821509119 598208157 /nfs/dbraw/zinc/20/81/57/598208157.db2.gz SYUIDPBKHMZFQX-LLVKDONJSA-N -1 0 328.271 2.152 20 5 EEBDRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000084146400 600780923 /nfs/dbraw/zinc/78/09/23/600780923.db2.gz HIKQUIZMIMDRGK-UHFFFAOYSA-N -1 0 345.149 2.340 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000833189148 600969036 /nfs/dbraw/zinc/96/90/36/600969036.db2.gz QHROMPGXRXMWIM-VIFPVBQESA-N -1 0 332.234 2.303 20 5 EEBDRM CO[C@]1(C)C[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1(C)C ZINC000262359439 601103582 /nfs/dbraw/zinc/10/35/82/601103582.db2.gz CUAXQIIOCLTQHA-MLGOLLRUSA-N -1 0 336.344 2.226 20 5 EEBDRM CC[C@@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC000828958078 601130482 /nfs/dbraw/zinc/13/04/82/601130482.db2.gz STKMSCAAAWBRNI-GFCCVEGCSA-N -1 0 347.331 2.149 20 5 EEBDRM Cn1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1C(=O)[O-] ZINC000833050281 601318630 /nfs/dbraw/zinc/31/86/30/601318630.db2.gz WMISSIWKVUCIGN-UHFFFAOYSA-N -1 0 328.284 2.365 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1-c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000833054462 601363658 /nfs/dbraw/zinc/36/36/58/601363658.db2.gz CUEPOSFNGFNFMW-UHFFFAOYSA-N -1 0 344.283 2.261 20 5 EEBDRM CC1(C)CCC[C@@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000828065039 601410337 /nfs/dbraw/zinc/41/03/37/601410337.db2.gz JPSRCQRLVCBIRV-ZDUSSCGKSA-N -1 0 335.360 2.400 20 5 EEBDRM O=C([O-])CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000833245885 601636612 /nfs/dbraw/zinc/63/66/12/601636612.db2.gz XBQHCISRFVUHGV-UHFFFAOYSA-N -1 0 332.234 2.303 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@H]2CCCn3ncnc32)c([N+](=O)[O-])c1 ZINC000833195320 601787095 /nfs/dbraw/zinc/78/70/95/601787095.db2.gz FMDWIPDIZZIZMI-FUEXJSSKSA-N -1 0 329.316 2.231 20 5 EEBDRM Cc1cc(F)cc(C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)c1[N+](=O)[O-] ZINC000832887479 602120746 /nfs/dbraw/zinc/12/07/46/602120746.db2.gz FORNPXSXVRCVRY-UHFFFAOYSA-N -1 0 335.247 2.093 20 5 EEBDRM CC[C@@]1(C)CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829050903 602151996 /nfs/dbraw/zinc/15/19/96/602151996.db2.gz XIBWTDQKDHIVCH-DIFFPNOSSA-N -1 0 349.387 2.424 20 5 EEBDRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000827324151 602275366 /nfs/dbraw/zinc/27/53/66/602275366.db2.gz ABXUSUWWHOOHMJ-IUCAKERBSA-N -1 0 349.299 2.360 20 5 EEBDRM O=C([O-])C[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000091294502 604270067 /nfs/dbraw/zinc/27/00/67/604270067.db2.gz STOXUFZVNLOVMB-VIFPVBQESA-N -1 0 345.149 2.037 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000833295866 604279034 /nfs/dbraw/zinc/27/90/34/604279034.db2.gz HXADSMMTVLKLIU-GUYCJALGSA-N -1 0 348.355 2.060 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000833783335 604532446 /nfs/dbraw/zinc/53/24/46/604532446.db2.gz ZALIGEYMMFRGPX-GFCCVEGCSA-N -1 0 333.296 2.112 20 5 EEBDRM COc1cc(F)c([N+](=O)[O-])c(NCC2(C(=O)[O-])CCOCC2)c1 ZINC000833729097 605080118 /nfs/dbraw/zinc/08/01/18/605080118.db2.gz NCVZZYCMELDDDN-UHFFFAOYSA-N -1 0 328.296 2.036 20 5 EEBDRM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000820426388 606887220 /nfs/dbraw/zinc/88/72/20/606887220.db2.gz JIFSXVYJPMOEKL-SNVBAGLBSA-N -1 0 340.343 2.331 20 5 EEBDRM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826278721 609501257 /nfs/dbraw/zinc/50/12/57/609501257.db2.gz PMILFXDQGPKDQT-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM O=C([O-])[C@H](CC1CC1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262194835 676397039 /nfs/dbraw/zinc/39/70/39/676397039.db2.gz TTXMJRPWRMHJMT-AWEZNQCLSA-N -1 0 335.360 2.156 20 5 EEBDRM C[C@H]1N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000263579673 690213433 /nfs/dbraw/zinc/21/34/33/690213433.db2.gz VBDCMERVFQBKFP-LLVKDONJSA-N -1 0 348.355 2.324 20 5 EEBDRM N=C(Nc1cc([N+](=O)[O-])cc2cc[nH]c21)SCCS(=O)(=O)[O-] ZINC001168090978 1186610607 /nfs/dbraw/zinc/61/06/07/1186610607.db2.gz SFPYZKDAYUFJIR-UHFFFAOYSA-N -1 0 344.374 2.044 20 5 EEBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000778809930 1208361082 /nfs/dbraw/zinc/36/10/82/1208361082.db2.gz GWLVUXAQRYPPCW-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000077687739 1209917634 /nfs/dbraw/zinc/91/76/34/1209917634.db2.gz UPKUEMVXBDBFOK-UHFFFAOYSA-N -1 0 341.276 2.443 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)cs1 ZINC000120036515 1229658180 /nfs/dbraw/zinc/65/81/80/1229658180.db2.gz PPCXBHIKMITAIP-UHFFFAOYSA-N -1 0 332.388 2.186 20 5 EEBDRM CC[C@@H](Oc1[n-]c(=O)nc2nc3cc(C)c(C)cc3nc21)C(=O)OC ZINC001228686255 1302380377 /nfs/dbraw/zinc/38/03/77/1302380377.db2.gz LQHNQYLFVHWCRO-GFCCVEGCSA-N -1 0 342.355 2.226 20 5 EEBDRM Cc1nc(O[C@H](CC(C)C)C(=O)OC(C)C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229375501 1302753235 /nfs/dbraw/zinc/75/32/35/1302753235.db2.gz GIRTVIHQJZYKRU-SNVBAGLBSA-N -1 0 327.337 2.144 20 5 EEBDRM Cc1ccc(N2CCC[C@@H](Oc3nc(C)[n-]c(=O)c3[N+](=O)[O-])C2)nc1 ZINC001229379659 1302754651 /nfs/dbraw/zinc/75/46/51/1302754651.db2.gz XGYJWTVEFRPHDN-GFCCVEGCSA-N -1 0 345.359 2.150 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1[n-]c(=O)nc2cc(F)ccc21 ZINC001230885854 1303524963 /nfs/dbraw/zinc/52/49/63/1303524963.db2.gz YZRSTARXCBKWMD-QMMMGPOBSA-N -1 0 347.306 2.355 20 5 EEBDRM CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000780435299 1303667668 /nfs/dbraw/zinc/66/76/68/1303667668.db2.gz XJYSDVUBUJCKFR-NXEZZACHSA-N -1 0 344.389 2.091 20 5 EEBDRM CCC[C@](C)(NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000780456392 1303668637 /nfs/dbraw/zinc/66/86/37/1303668637.db2.gz CEDWJBQAARQBIN-HNNXBMFYSA-N -1 0 339.348 2.046 20 5 EEBDRM CCOC(=O)C(F)(F)[C@@H](CC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-] ZINC001231261264 1303708774 /nfs/dbraw/zinc/70/87/74/1303708774.db2.gz ZVOVHOXDOLIOFM-SECBINFHSA-N -1 0 334.275 2.360 20 5 EEBDRM O=C(NCC(F)F)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798296356 1304976017 /nfs/dbraw/zinc/97/60/17/1304976017.db2.gz IOWJVWJTVZJDIF-UHFFFAOYSA-N -1 0 346.677 2.134 20 5 EEBDRM C[C@@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001117831606 1306183051 /nfs/dbraw/zinc/18/30/51/1306183051.db2.gz RPVYHPXTMCJVNC-YGRLFVJLSA-N -1 0 326.374 2.226 20 5 EEBDRM C[C@]1(CO)CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001118281043 1306332357 /nfs/dbraw/zinc/33/23/57/1306332357.db2.gz UYTYUCULHYVZPW-AWEZNQCLSA-N -1 0 328.752 2.188 20 5 EEBDRM COc1cc(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)ccn1 ZINC001247987810 1310811277 /nfs/dbraw/zinc/81/12/77/1310811277.db2.gz QRLIHNXXYFMVKZ-UHFFFAOYSA-N -1 0 328.284 2.345 20 5 EEBDRM CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842304022 1315684977 /nfs/dbraw/zinc/68/49/77/1315684977.db2.gz CWYKAPFVGCHICB-UONOGXRCSA-N -1 0 340.401 2.190 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001210449397 1325289958 /nfs/dbraw/zinc/28/99/58/1325289958.db2.gz GOIBIHQEVKAZBE-UHFFFAOYSA-N -1 0 345.311 2.161 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001608598618 1351723445 /nfs/dbraw/zinc/72/34/45/1351723445.db2.gz BUSNKCGHIIXSGU-ISOBSLSZSA-N -1 0 343.339 2.401 20 5 EEBDRM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1Cc1cccc([N+](=O)[O-])c1 ZINC001608652721 1351734749 /nfs/dbraw/zinc/73/47/49/1351734749.db2.gz JPLJUPVNMLBIDL-INIZCTEOSA-N -1 0 328.324 2.312 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC001608685395 1351741565 /nfs/dbraw/zinc/74/15/65/1351741565.db2.gz NNLDKEBGRUXYQZ-UHFFFAOYSA-N -1 0 344.270 2.323 20 5 EEBDRM O=C([O-])CCCCCOC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001608711874 1351746748 /nfs/dbraw/zinc/74/67/48/1351746748.db2.gz IJGSWTQEHBNSRR-UHFFFAOYSA-N -1 0 325.273 2.125 20 5 EEBDRM O=C([O-])CN(CCC(F)(F)F)C(=O)c1csc([N+](=O)[O-])c1 ZINC001608744936 1351754339 /nfs/dbraw/zinc/75/43/39/1351754339.db2.gz HVZFOXBBUDCODM-UHFFFAOYSA-N -1 0 326.252 2.136 20 5 EEBDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001608773215 1351759862 /nfs/dbraw/zinc/75/98/62/1351759862.db2.gz OZEVMUDPOWZYPB-KOLCDFICSA-N -1 0 331.328 2.449 20 5 EEBDRM O=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1OC[C@@H](O)C(F)(F)F ZINC001608846760 1351777785 /nfs/dbraw/zinc/77/77/85/1351777785.db2.gz TVNJWQUWQWQYNE-SSDOTTSWSA-N -1 0 329.614 2.248 20 5 EEBDRM O=C([O-])c1ccccc1N(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC001608948024 1351801031 /nfs/dbraw/zinc/80/10/31/1351801031.db2.gz VCAHOHHOOUJRAP-UHFFFAOYSA-N -1 0 344.327 2.075 20 5 EEBDRM O=C([O-])c1cnc(Nc2cccc([C@@H]3CNC(=O)C3)c2)c([N+](=O)[O-])c1 ZINC001609034005 1351820560 /nfs/dbraw/zinc/82/05/60/1351820560.db2.gz ZLZJYQYMJBPOCS-JTQLQIEISA-N -1 0 342.311 2.035 20 5 EEBDRM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccsc1[N+](=O)[O-] ZINC001339437880 1337004437 /nfs/dbraw/zinc/00/44/37/1337004437.db2.gz LVFWRPIHEMNLTK-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM CNC(=O)c1cccc(COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001610143672 1352172871 /nfs/dbraw/zinc/17/28/71/1352172871.db2.gz BCLFPJFGZCRKHN-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000847892966 1338366824 /nfs/dbraw/zinc/36/68/24/1338366824.db2.gz MWSBZUQQPCCVRL-SNVBAGLBSA-N -1 0 341.389 2.011 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001610286085 1352200119 /nfs/dbraw/zinc/20/01/19/1352200119.db2.gz RPOZUPFKAZVDJV-UHFFFAOYSA-N -1 0 345.311 2.013 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001610306555 1352203014 /nfs/dbraw/zinc/20/30/14/1352203014.db2.gz AIWIMSQPVNXFAT-UHFFFAOYSA-N -1 0 337.313 2.035 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610349452 1352209090 /nfs/dbraw/zinc/20/90/90/1352209090.db2.gz XBAPNUHEPRNXKB-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM Cc1oc(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001610580984 1352248466 /nfs/dbraw/zinc/24/84/66/1352248466.db2.gz WOLDOSKAXVHQOY-UHFFFAOYSA-N -1 0 332.312 2.396 20 5 EEBDRM O=C([O-])[C@@H]1CCc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2C1 ZINC001610712704 1352263726 /nfs/dbraw/zinc/26/37/26/1352263726.db2.gz MFXMQNKSGSEAPG-SECBINFHSA-N -1 0 347.352 2.493 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Sc2ncn(-c3ccccc3)n2)n1 ZINC001610841713 1352283541 /nfs/dbraw/zinc/28/35/41/1352283541.db2.gz XFGATMBILJHVTI-UHFFFAOYSA-N -1 0 343.324 2.420 20 5 EEBDRM O=C([O-])c1sccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC001610877240 1352289504 /nfs/dbraw/zinc/28/95/04/1352289504.db2.gz VHJKPYSJLOZVCC-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC001589532353 1349001064 /nfs/dbraw/zinc/00/10/64/1349001064.db2.gz PLGBFCAFMQMNIC-SECBINFHSA-N -1 0 330.300 2.244 20 5 EEBDRM CC[C@H](CC(F)(F)F)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590421152 1349317249 /nfs/dbraw/zinc/31/72/49/1349317249.db2.gz GQYCUBBENPSZIZ-ZCFIWIBFSA-N -1 0 331.258 2.313 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001594975380 1349879532 /nfs/dbraw/zinc/87/95/32/1349879532.db2.gz FALZJOGPHJSACY-QMMMGPOBSA-N -1 0 328.296 2.068 20 5 EEBDRM Cc1c(CNC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001600011519 1349955009 /nfs/dbraw/zinc/95/50/09/1349955009.db2.gz GJODZJUHAWYPQF-ZWNOBZJWSA-N -1 0 335.360 2.155 20 5 EEBDRM Cc1c(NC(=O)N(C)[C@H]2CCCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600034265 1349958849 /nfs/dbraw/zinc/95/88/49/1349958849.db2.gz GUYGBGZBFPLQNI-NSHDSACASA-N -1 0 337.332 2.244 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2ccc3c(c2)CC(=O)N3C)n1 ZINC001600106343 1349972346 /nfs/dbraw/zinc/97/23/46/1349972346.db2.gz MAVRCENXRJIRNU-UHFFFAOYSA-N -1 0 342.311 2.259 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(c3c[nH]cn3)CC2)n1 ZINC001600105362 1349972375 /nfs/dbraw/zinc/97/23/75/1349972375.db2.gz NMMCTNUTBDQZAL-UHFFFAOYSA-N -1 0 331.332 2.104 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc(C(=O)[O-])ns1 ZINC001600164621 1349983729 /nfs/dbraw/zinc/98/37/29/1349983729.db2.gz LPNVXJSNCAYBPO-UHFFFAOYSA-N -1 0 336.329 2.322 20 5 EEBDRM Cc1cc(C2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)n[nH]1 ZINC001600184433 1349987592 /nfs/dbraw/zinc/98/75/92/1349987592.db2.gz MEHRUNZTLYTATL-UHFFFAOYSA-N -1 0 331.332 2.104 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])nn2)cc1[N+](=O)[O-] ZINC001600373153 1350033131 /nfs/dbraw/zinc/03/31/31/1350033131.db2.gz NGLIZPPBOPCJEL-VIFPVBQESA-N -1 0 345.315 2.274 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001600487455 1350063131 /nfs/dbraw/zinc/06/31/31/1350063131.db2.gz WQHFITHMNCNDIF-LPWJVIDDSA-N -1 0 332.356 2.441 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001600488320 1350063777 /nfs/dbraw/zinc/06/37/77/1350063777.db2.gz QDGMTAMIAQZSES-UHFFFAOYSA-N -1 0 335.341 2.030 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001600748504 1350127330 /nfs/dbraw/zinc/12/73/30/1350127330.db2.gz UPFCEECEMCKELN-AWEZNQCLSA-N -1 0 348.286 2.290 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC001600828077 1350146207 /nfs/dbraw/zinc/14/62/07/1350146207.db2.gz HRRPPCNRMPYWQY-UHFFFAOYSA-N -1 0 335.268 2.430 20 5 EEBDRM Cn1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C2CC2)n1 ZINC001600966028 1350178679 /nfs/dbraw/zinc/17/86/79/1350178679.db2.gz FWVKSTPCULZUDH-UHFFFAOYSA-N -1 0 330.300 2.156 20 5 EEBDRM Cn1ccc(NCCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC001600977247 1350181187 /nfs/dbraw/zinc/18/11/87/1350181187.db2.gz GYNYKSBAFCLGAG-UHFFFAOYSA-N -1 0 339.739 2.204 20 5 EEBDRM NC(=O)[C@H]1CC[C@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001601160269 1350222501 /nfs/dbraw/zinc/22/25/01/1350222501.db2.gz HMMKXNWPJAUZGA-KMOPQBBQSA-N -1 0 347.371 2.396 20 5 EEBDRM O=C([O-])[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC001601240553 1350239532 /nfs/dbraw/zinc/23/95/32/1350239532.db2.gz ODXJKPJXJIUXJY-CXOKCQFOSA-N -1 0 342.307 2.256 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)Nc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001601342036 1350262244 /nfs/dbraw/zinc/26/22/44/1350262244.db2.gz YARSXYURTUUIRK-UHFFFAOYSA-N -1 0 332.268 2.016 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001601361597 1350266525 /nfs/dbraw/zinc/26/65/25/1350266525.db2.gz NRYDSDGDBQNQOG-HNNXBMFYSA-N -1 0 346.314 2.261 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC001601360751 1350266535 /nfs/dbraw/zinc/26/65/35/1350266535.db2.gz DXGMETPBUSRVGU-OAHLLOKOSA-N -1 0 338.335 2.426 20 5 EEBDRM O=C([O-])c1ccc2ccccc2c1OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001601384778 1350271295 /nfs/dbraw/zinc/27/12/95/1350271295.db2.gz SLXUGYBKFYDMIH-UHFFFAOYSA-N -1 0 341.279 2.248 20 5 EEBDRM O=C([O-])C1(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC001601428668 1350282404 /nfs/dbraw/zinc/28/24/04/1350282404.db2.gz ANZVFSNYXSXHAY-UHFFFAOYSA-N -1 0 337.090 2.388 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001601571341 1350309761 /nfs/dbraw/zinc/30/97/61/1350309761.db2.gz GYPVENCGAONGBR-YPMHNXCESA-N -1 0 341.323 2.250 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)no1 ZINC001601633120 1350324292 /nfs/dbraw/zinc/32/42/92/1350324292.db2.gz FZTQWCMGVBLQJH-UHFFFAOYSA-N -1 0 328.240 2.082 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC001601720193 1350347738 /nfs/dbraw/zinc/34/77/38/1350347738.db2.gz OSXLDYNEFCSJRW-NSHDSACASA-N -1 0 333.113 2.360 20 5 EEBDRM O=C([O-])C12CCC(C(=O)NCCc3ccc([N+](=O)[O-])cc3)(CC1)C2 ZINC001601730042 1350349816 /nfs/dbraw/zinc/34/98/16/1350349816.db2.gz CFDDKMQBMAIPNE-UHFFFAOYSA-N -1 0 332.356 2.289 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]([C@H]2CCCO2)C1 ZINC001601826948 1350374317 /nfs/dbraw/zinc/37/43/17/1350374317.db2.gz CCODKHCQCDIWKA-BPLDGKMQSA-N -1 0 348.355 2.079 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001601860524 1350383179 /nfs/dbraw/zinc/38/31/79/1350383179.db2.gz SLIASSCEWGMLMC-DADYRQLVSA-N -1 0 344.367 2.314 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(F)F ZINC001602031487 1350422006 /nfs/dbraw/zinc/42/20/06/1350422006.db2.gz NEKSNOMKILPRRB-UHFFFAOYSA-N -1 0 334.300 2.157 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001602134437 1350447161 /nfs/dbraw/zinc/44/71/61/1350447161.db2.gz YVZIJXLUHBWZNT-UHFFFAOYSA-N -1 0 326.308 2.425 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001602204424 1350464759 /nfs/dbraw/zinc/46/47/59/1350464759.db2.gz LOTFOXHPABCMJO-GDGBQDQQSA-N -1 0 341.161 2.120 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001602211392 1350466812 /nfs/dbraw/zinc/46/68/12/1350466812.db2.gz ASDPJZJSUHGLSZ-SECBINFHSA-N -1 0 330.699 2.467 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC001602621050 1350559642 /nfs/dbraw/zinc/55/96/42/1350559642.db2.gz BWDZXGCFNZMLAW-UHFFFAOYSA-N -1 0 331.284 2.045 20 5 EEBDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001603805987 1350772551 /nfs/dbraw/zinc/77/25/51/1350772551.db2.gz DQEVRLXHAZZVJA-UHFFFAOYSA-N -1 0 337.376 2.386 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001604491891 1350948665 /nfs/dbraw/zinc/94/86/65/1350948665.db2.gz AQHGAQSXSUVBGV-CQSZACIVSA-N -1 0 342.298 2.400 20 5 EEBDRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC001604741510 1350995046 /nfs/dbraw/zinc/99/50/46/1350995046.db2.gz KBCVWNBDDPMCEP-QZKOUSHUSA-N -1 0 332.356 2.410 20 5 EEBDRM CCCOCCOC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001605337354 1351140174 /nfs/dbraw/zinc/14/01/74/1351140174.db2.gz SMTRRUBMLYLDJZ-HNNXBMFYSA-N -1 0 340.332 2.047 20 5 EEBDRM CCNc1cc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])ccn1 ZINC001605501600 1351173139 /nfs/dbraw/zinc/17/31/39/1351173139.db2.gz UEPUKFNKGPOUNK-UHFFFAOYSA-N -1 0 331.332 2.435 20 5 EEBDRM CCOC(=O)[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001605526489 1351180469 /nfs/dbraw/zinc/18/04/69/1351180469.db2.gz LVHGPXGLKOIOHG-QMMMGPOBSA-N -1 0 342.735 2.336 20 5 EEBDRM CCOC(=O)N[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001605551638 1351188725 /nfs/dbraw/zinc/18/87/25/1351188725.db2.gz KPUPPDIWELSOEK-NSHDSACASA-N -1 0 337.332 2.008 20 5 EEBDRM CCc1cc(C(=O)[O-])c(NC(=O)CCn2cc([N+](=O)[O-])cn2)s1 ZINC001605788927 1351223371 /nfs/dbraw/zinc/22/33/71/1351223371.db2.gz HMNAQLUUUJMLSO-UHFFFAOYSA-N -1 0 338.345 2.142 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001605904836 1351250705 /nfs/dbraw/zinc/25/07/05/1351250705.db2.gz LJXFORCEKMGKEI-LBPRGKRZSA-N -1 0 348.359 2.181 20 5 EEBDRM CN(C)c1cc(F)c(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC001606049623 1351266012 /nfs/dbraw/zinc/26/60/12/1351266012.db2.gz BVLRZMUGKGHMHQ-GFCCVEGCSA-N -1 0 341.339 2.029 20 5 EEBDRM COC(=O)c1cc(C(=O)OCc2ccoc2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001606537726 1351319147 /nfs/dbraw/zinc/31/91/47/1351319147.db2.gz RQZNRLNOEXGNMG-UHFFFAOYSA-N -1 0 349.251 2.030 20 5 EEBDRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])C1 ZINC001606744011 1351350332 /nfs/dbraw/zinc/35/03/32/1351350332.db2.gz XXDLCZYPBQOFGG-HLUHBDAQSA-N -1 0 342.373 2.045 20 5 EEBDRM COc1cccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1[N+](=O)[O-] ZINC001607304533 1351469004 /nfs/dbraw/zinc/46/90/04/1351469004.db2.gz FRLQZQASIHHQPV-LBPRGKRZSA-N -1 0 336.344 2.367 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001607654691 1351533889 /nfs/dbraw/zinc/53/38/89/1351533889.db2.gz CSFOCSUPNLOGDF-MRVPVSSYSA-N -1 0 327.724 2.495 20 5 EEBDRM Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607693270 1351541027 /nfs/dbraw/zinc/54/10/27/1351541027.db2.gz CAXMBZMGKQVOGI-CWSCBRNRSA-N -1 0 333.344 2.023 20 5 EEBDRM Cc1ccc(C[C@H](C(=O)[O-])S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001607773043 1351555413 /nfs/dbraw/zinc/55/54/13/1351555413.db2.gz DEZLTZPGCJUGQO-OAHLLOKOSA-N -1 0 349.364 2.373 20 5 EEBDRM Cc1cnc(COC(=O)c2ccc(C(=O)[O-])n2C)c(C)c1[N+](=O)[O-] ZINC001607908220 1351583953 /nfs/dbraw/zinc/58/39/53/1351583953.db2.gz ICGASVUIVWBVCH-UHFFFAOYSA-N -1 0 333.300 2.000 20 5 EEBDRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001607917585 1351585667 /nfs/dbraw/zinc/58/56/67/1351585667.db2.gz NJAXOMQSAWHCCJ-UHFFFAOYSA-N -1 0 348.286 2.465 20 5 EEBDRM Cc1csc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001607934448 1351588710 /nfs/dbraw/zinc/58/87/10/1351588710.db2.gz ZOUPWIHNGRRADT-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])c1cc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccn1 ZINC001608472427 1351701579 /nfs/dbraw/zinc/70/15/79/1351701579.db2.gz GAXTWWNOXDTVKO-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM C/C=C(/CC)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000588570338 760924087 /nfs/dbraw/zinc/92/40/87/760924087.db2.gz ATZIZOLMXVHPRR-BAQGIRSFSA-N -1 0 332.765 2.409 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000846712477 790495704 /nfs/dbraw/zinc/49/57/04/790495704.db2.gz ALGPGGACTJXGMJ-JTQLQIEISA-N -1 0 339.304 2.055 20 5 EEBDRM O=C([O-])c1ccnc(N2C[C@H]3C[C@@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000906152050 783741109 /nfs/dbraw/zinc/74/11/09/783741109.db2.gz MEYNBELWCZOOER-PXAZEXFGSA-N -1 0 325.324 2.466 20 5 EEBDRM C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000819935649 785731243 /nfs/dbraw/zinc/73/12/43/785731243.db2.gz ULZAHIOMVSUFMS-GHMZBOCLSA-N -1 0 326.374 2.226 20 5 EEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnsn2)cc1[N+](=O)[O-] ZINC000821097740 786620895 /nfs/dbraw/zinc/62/08/95/786620895.db2.gz XCFVVWXUAYGODK-UHFFFAOYSA-N -1 0 334.766 2.209 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@@H]2CC(C)C)n1 ZINC000910375958 786704510 /nfs/dbraw/zinc/70/45/10/786704510.db2.gz UHVMRTNQQWPTQD-LBPRGKRZSA-N -1 0 336.392 2.163 20 5 EEBDRM CCOC(CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])OCC ZINC000844207007 788924838 /nfs/dbraw/zinc/92/48/38/788924838.db2.gz ZQNNKNBXCINNDD-UHFFFAOYSA-N -1 0 327.337 2.198 20 5 EEBDRM Nc1cc2nc3ccccc3nc2cc1Nc1cnn(CC(=O)[O-])c1 ZINC001176266350 798411006 /nfs/dbraw/zinc/41/10/06/798411006.db2.gz ANLIPAOPCBBZFT-UHFFFAOYSA-N -1 0 334.339 2.390 20 5 EEBDRM O=C([O-])c1cc(Nc2cccc3c2NC(=O)CO3)cc([N+](=O)[O-])c1 ZINC001176680830 798526013 /nfs/dbraw/zinc/52/60/13/798526013.db2.gz ZZLZUISQXYBICR-UHFFFAOYSA-N -1 0 329.268 2.368 20 5 EEBDRM Cc1cc(=O)c(COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n[n-]1 ZINC000789772733 808209743 /nfs/dbraw/zinc/20/97/43/808209743.db2.gz CMSWZDRGNONVST-UHFFFAOYSA-N -1 0 342.311 2.166 20 5 EEBDRM O=C([O-])c1cccc(COC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001595248224 949518225 /nfs/dbraw/zinc/51/82/25/949518225.db2.gz HBPHBAKVRZJGBJ-AWEZNQCLSA-N -1 0 331.280 2.070 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001594988151 951031889 /nfs/dbraw/zinc/03/18/89/951031889.db2.gz VHJABHBOGRBAJM-CQDKDKBSSA-N -1 0 332.356 2.412 20 5 EEBDRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)O2 ZINC001594747848 953397841 /nfs/dbraw/zinc/39/78/41/953397841.db2.gz DYTBSWSTGCTMMF-XNVJVGRKSA-N -1 0 349.343 2.129 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001594763037 953516188 /nfs/dbraw/zinc/51/61/88/953516188.db2.gz ICJIDCOQCNGISO-UHFFFAOYSA-N -1 0 330.300 2.052 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001589306368 953744913 /nfs/dbraw/zinc/74/49/13/953744913.db2.gz UVFXMYBLCZNADE-WDEREUQCSA-N -1 0 345.355 2.330 20 5 EEBDRM C[C@H]1O[C@@H](C)Cc2c(C(=O)[O-])c(NC(=O)[C@@H]3CC3[N+](=O)[O-])sc21 ZINC001589412496 954529060 /nfs/dbraw/zinc/52/90/60/954529060.db2.gz ZBYVMDDSCBYFFE-YYWONIAYSA-N -1 0 340.357 2.072 20 5 EEBDRM CCC(CC)(CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589488878 955000626 /nfs/dbraw/zinc/00/06/26/955000626.db2.gz VEPGUMFOUIIJGD-UHFFFAOYSA-N -1 0 326.324 2.284 20 5 EEBDRM C[C@H](CN(C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C(=O)[O-] ZINC001589033383 955537073 /nfs/dbraw/zinc/53/70/73/955537073.db2.gz DHBVCUUKRMTFDJ-MRVPVSSYSA-N -1 0 334.288 2.208 20 5 EEBDRM COC(=O)Cc1ccc(N2CCC[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000841505214 955589038 /nfs/dbraw/zinc/58/90/38/955589038.db2.gz CARJOWLNXLVWRQ-LBPRGKRZSA-N -1 0 336.344 2.001 20 5 EEBDRM O=C([O-])C1(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000094188792 958264250 /nfs/dbraw/zinc/26/42/50/958264250.db2.gz RLPWUGIMPTWPSJ-UHFFFAOYSA-N -1 0 344.121 2.096 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cccc3c[nH]nc32)cc([N+](=O)[O-])c1 ZINC001332227278 961541827 /nfs/dbraw/zinc/54/18/27/961541827.db2.gz KMGRYFKGXGMQLA-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000236439139 967774328 /nfs/dbraw/zinc/77/43/28/967774328.db2.gz SRLUYAFXJFIVIF-VIFPVBQESA-N -1 0 329.150 2.264 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001605153133 972844922 /nfs/dbraw/zinc/84/49/22/972844922.db2.gz YTOOWGIWQIHPHM-UHFFFAOYSA-N -1 0 336.344 2.422 20 5 EEBDRM C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC001603405714 973063649 /nfs/dbraw/zinc/06/36/49/973063649.db2.gz XFGGXIAMWZHQIM-JUDXGUMMSA-N -1 0 332.356 2.410 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c1 ZINC001605309523 973127181 /nfs/dbraw/zinc/12/71/81/973127181.db2.gz AWAIXBFACOCDCR-DGCLKSJQSA-N -1 0 336.344 2.136 20 5 EEBDRM O=C([O-])CC[C@H]1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC001606126253 973370004 /nfs/dbraw/zinc/37/00/04/973370004.db2.gz SYDFTMIQYDEZGB-SNVBAGLBSA-N -1 0 326.324 2.307 20 5 EEBDRM O=C([O-])COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])o3)no2)cc1 ZINC001606285593 973680083 /nfs/dbraw/zinc/68/00/83/973680083.db2.gz AFUAZWWWQONQHS-UHFFFAOYSA-N -1 0 331.240 2.368 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1COC(=O)c1ncccc1C(=O)[O-] ZINC001604833654 974074700 /nfs/dbraw/zinc/07/47/00/974074700.db2.gz GOQPTFLYFOJFQA-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM Cc1c(Br)c(N[C@H]2C[C@H](C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000703046455 977148375 /nfs/dbraw/zinc/14/83/75/977148375.db2.gz JVYNCOIVSDUHMJ-LJGSYFOKSA-N -1 0 330.138 2.336 20 5 EEBDRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C(C)(C)O ZINC001595251717 980212452 /nfs/dbraw/zinc/21/24/52/980212452.db2.gz CSHHTSXWBBHXEL-GFCCVEGCSA-N -1 0 339.348 2.272 20 5 EEBDRM C[C@](NC(=O)CCCn1cccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593018927 980265789 /nfs/dbraw/zinc/26/57/89/980265789.db2.gz BGSHMSZTWPIRGK-QGZVFWFLSA-N -1 0 345.355 2.293 20 5 EEBDRM C[C@@](NC(=O)Cc1cccs1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593043286 980328790 /nfs/dbraw/zinc/32/87/90/980328790.db2.gz DPOWVKCNKASUMG-HNNXBMFYSA-N -1 0 334.353 2.315 20 5 EEBDRM CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)C(=O)[O-] ZINC001595830110 982717087 /nfs/dbraw/zinc/71/70/87/982717087.db2.gz LFUUOXMQGSWGOM-LLVKDONJSA-N -1 0 346.343 2.106 20 5 EEBDRM CC(C)(C)C[C@@H](O)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001589756632 988066296 /nfs/dbraw/zinc/06/62/96/988066296.db2.gz BWOOWJWCAPPHLC-GFCCVEGCSA-N -1 0 325.317 2.133 20 5 EEBDRM CC(C)(CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@]1(O)CCCOC1 ZINC001590774250 990576313 /nfs/dbraw/zinc/57/63/13/990576313.db2.gz LAKBUVDTEIEIEQ-MRXNPFEDSA-N -1 0 338.360 2.273 20 5 EEBDRM C[C@](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593138432 993907613 /nfs/dbraw/zinc/90/76/13/993907613.db2.gz DTHCQXMGSQMLKR-XBURVNOZSA-N -1 0 347.154 2.075 20 5 EEBDRM C[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1cccc([N+](=O)[O-])c1 ZINC001593140906 993925622 /nfs/dbraw/zinc/92/56/22/993925622.db2.gz APMBZQSJOYWLSI-LEWSCRJBSA-N -1 0 336.344 2.184 20 5 EEBDRM C[C@@](NC(=O)c1ccc(Cl)cn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593162799 993998624 /nfs/dbraw/zinc/99/86/24/993998624.db2.gz MNFABTREQONZKB-HNNXBMFYSA-N -1 0 349.730 2.373 20 5 EEBDRM CNc1nccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001598682177 994946620 /nfs/dbraw/zinc/94/66/20/994946620.db2.gz YCQNJEBENMHQJH-UHFFFAOYSA-N -1 0 344.327 2.002 20 5 EEBDRM C[C@H](OC(=O)c1ccc(C(=O)[O-])o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001593575683 995683837 /nfs/dbraw/zinc/68/38/37/995683837.db2.gz URUPMLLTWQGHNV-QMMMGPOBSA-N -1 0 348.267 2.070 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC1(C(=O)[O-])CC1 ZINC001593667598 996059344 /nfs/dbraw/zinc/05/93/44/996059344.db2.gz RJTPVDBCMKUEKE-VIFPVBQESA-N -1 0 325.342 2.483 20 5 EEBDRM C[C@@H](c1ccccc1)[C@H](O)CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593707738 996202686 /nfs/dbraw/zinc/20/26/86/996202686.db2.gz ZAWWQRQIDDJFJR-IINYFYTJSA-N -1 0 331.328 2.265 20 5 EEBDRM CO[C@H]1C[C@H](N(C)c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C12CCC2 ZINC001599094004 997245142 /nfs/dbraw/zinc/24/51/42/997245142.db2.gz ARNLXQNPMAZIER-RYUDHWBXSA-N -1 0 335.360 2.390 20 5 EEBDRM COC[C@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001599207126 997429336 /nfs/dbraw/zinc/42/93/36/997429336.db2.gz IWRFJXIKBXXHGI-RKDXNWHRSA-N -1 0 344.751 2.187 20 5 EEBDRM C[C@H]1C(=O)CC[C@H]1CC(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594125804 998302950 /nfs/dbraw/zinc/30/29/50/998302950.db2.gz MMJHMRZTOVZNLO-ZJUUUORDSA-N -1 0 335.312 2.342 20 5 EEBDRM C[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC[S@@]1=O ZINC001594431755 999606663 /nfs/dbraw/zinc/60/66/63/999606663.db2.gz LYEQUVFPDUZESA-ZCAPAMDOSA-N -1 0 346.792 2.294 20 5 EEBDRM CCC(CC)(CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000424378517 282123016 /nfs/dbraw/zinc/12/30/16/282123016.db2.gz SWMGMHCZYYGTER-UHFFFAOYSA-N -1 0 325.321 2.079 20 5 EEBDRM O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000456302555 303977652 /nfs/dbraw/zinc/97/76/52/303977652.db2.gz GMMMYUUTWVYAIZ-BBRMVZONSA-N -1 0 343.339 2.346 20 5 EEBDRM O=C([O-])CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000237980389 304051480 /nfs/dbraw/zinc/05/14/80/304051480.db2.gz OCCZNHXJDSGYCU-UHFFFAOYSA-N -1 0 335.360 2.180 20 5 EEBDRM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000032588311 201071663 /nfs/dbraw/zinc/07/16/63/201071663.db2.gz FWIGWTIXRNFBBE-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000275018943 201275407 /nfs/dbraw/zinc/27/54/07/201275407.db2.gz OMJABTANUFQHLJ-JTQLQIEISA-N -1 0 344.389 2.153 20 5 EEBDRM COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc21 ZINC000071898244 203142972 /nfs/dbraw/zinc/14/29/72/203142972.db2.gz WYRGDXHRDYHJMB-LBPRGKRZSA-N -1 0 342.307 2.217 20 5 EEBDRM C[C@]1(NC(=O)COc2ccccc2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-] ZINC000262715822 245140122 /nfs/dbraw/zinc/14/01/22/245140122.db2.gz DOCOQAXCXOKLQJ-ZBEGNZNMSA-N -1 0 336.344 2.123 20 5 EEBDRM C[C@@]1(NC(=O)CNc2ccccc2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-] ZINC000262807872 245188784 /nfs/dbraw/zinc/18/87/84/245188784.db2.gz OTQNSNCDTMPDCY-MEDUHNTESA-N -1 0 335.360 2.156 20 5 EEBDRM C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[C@H]1C(=O)[O-] ZINC000262855731 245215949 /nfs/dbraw/zinc/21/59/49/245215949.db2.gz DZGRUUWAVAHSAS-BXUZGUMPSA-N -1 0 345.355 2.119 20 5 EEBDRM Cc1cc([C@](C)(O)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c(C)o1 ZINC000153766561 205879114 /nfs/dbraw/zinc/87/91/14/205879114.db2.gz KDAMMYAJTUDQFV-MRXNPFEDSA-N -1 0 334.328 2.148 20 5 EEBDRM C[C@@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000493846618 246828982 /nfs/dbraw/zinc/82/89/82/246828982.db2.gz OLTFRYKOJSPETP-RHWBJXNKSA-N -1 0 336.319 2.459 20 5 EEBDRM O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000336865724 304248271 /nfs/dbraw/zinc/24/82/71/304248271.db2.gz FMCDKBWJEULOPR-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM COCCNc1ccccc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000156685969 255787881 /nfs/dbraw/zinc/78/78/81/255787881.db2.gz PSKBXBGQFCDJIX-UHFFFAOYSA-N -1 0 345.355 2.289 20 5 EEBDRM Cn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])nc2ccccc21 ZINC000157781685 255790251 /nfs/dbraw/zinc/79/02/51/255790251.db2.gz YXBPJAIUXSLROP-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]cc1SC ZINC000273380262 256292044 /nfs/dbraw/zinc/29/20/44/256292044.db2.gz IEIKJTRGIDLOJF-UHFFFAOYSA-N -1 0 342.402 2.403 20 5 EEBDRM CCOC(=O)c1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1C ZINC000356630379 141029251 /nfs/dbraw/zinc/02/92/51/141029251.db2.gz OFJSFMSVZGCGSO-UHFFFAOYSA-N -1 0 333.300 2.068 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1C(N)=O ZINC000121747376 143627477 /nfs/dbraw/zinc/62/74/77/143627477.db2.gz TVVFGRKPYYIOIO-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CC(=O)c1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc1C ZINC000119408430 292244979 /nfs/dbraw/zinc/24/49/79/292244979.db2.gz UCBHZSZBUUCTHS-UHFFFAOYSA-N -1 0 329.312 2.136 20 5 EEBDRM CC(C)(CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262423134 152279144 /nfs/dbraw/zinc/27/91/44/152279144.db2.gz FEJINLFIOMFCRS-UHFFFAOYSA-N -1 0 326.374 2.304 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263078302 152370291 /nfs/dbraw/zinc/37/02/91/152370291.db2.gz BCBUDMPCFZLNNO-OLZOCXBDSA-N -1 0 349.387 2.499 20 5 EEBDRM CC(C)n1cnc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000355876206 153181557 /nfs/dbraw/zinc/18/15/57/153181557.db2.gz DJTAPUMEHDHDJN-UHFFFAOYSA-N -1 0 328.325 2.312 20 5 EEBDRM COC(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000357667962 153278879 /nfs/dbraw/zinc/27/88/79/153278879.db2.gz AFGRXHWHCVFXMZ-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000314799189 160531744 /nfs/dbraw/zinc/53/17/44/160531744.db2.gz WHDNINIBWXBOAG-JTQLQIEISA-N -1 0 326.374 2.399 20 5 EEBDRM CC(C)C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(=O)[O-] ZINC000322095780 160537844 /nfs/dbraw/zinc/53/78/44/160537844.db2.gz IEZKBAIUXPLVOT-JTQLQIEISA-N -1 0 344.389 2.157 20 5 EEBDRM Cc1cnc(COCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000354550727 162907717 /nfs/dbraw/zinc/90/77/17/162907717.db2.gz YEPGVFKWWMVRRE-UHFFFAOYSA-N -1 0 341.707 2.406 20 5 EEBDRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1csc([N+](=O)[O-])c1 ZINC000355789344 163302671 /nfs/dbraw/zinc/30/26/71/163302671.db2.gz IIKTXVSUNYMKMJ-UHFFFAOYSA-N -1 0 331.313 2.399 20 5 EEBDRM O=C(Cc1cc(F)cc2c1OCOC2)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356295433 163396970 /nfs/dbraw/zinc/39/69/70/163396970.db2.gz PFLUCNJMJUMHPA-UHFFFAOYSA-N -1 0 348.286 2.487 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000359855405 164185833 /nfs/dbraw/zinc/18/58/33/164185833.db2.gz KNAVYSXYIYFYBN-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM CC(C)(C)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000275012823 269084702 /nfs/dbraw/zinc/08/47/02/269084702.db2.gz QFNXJQYUIBBUQS-SNVBAGLBSA-N -1 0 344.389 2.010 20 5 EEBDRM CC(=O)N1CCC[C@@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)C1 ZINC000277816673 269186558 /nfs/dbraw/zinc/18/65/58/269186558.db2.gz HHNWPFUFKPUNLC-LLVKDONJSA-N -1 0 332.316 2.076 20 5 EEBDRM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])[nH]1 ZINC000278006362 269206136 /nfs/dbraw/zinc/20/61/36/269206136.db2.gz XEAMJTAGVYSPBL-RKDXNWHRSA-N -1 0 333.348 2.423 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc(COC)ns1 ZINC000280177324 269335091 /nfs/dbraw/zinc/33/50/91/269335091.db2.gz YBJNPAXISILRHV-UHFFFAOYSA-N -1 0 338.345 2.244 20 5 EEBDRM O=c1[n-]nc(C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)o1 ZINC000285594644 274758562 /nfs/dbraw/zinc/75/85/62/274758562.db2.gz LHXZALCSJYXBTR-UHFFFAOYSA-N -1 0 341.327 2.203 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291112354 275271636 /nfs/dbraw/zinc/27/16/36/275271636.db2.gz FMXIIGZVSYOHNG-GOSISDBHSA-N -1 0 342.351 2.077 20 5 EEBDRM CC[C@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000362745464 288030240 /nfs/dbraw/zinc/03/02/40/288030240.db2.gz BZUQBSGDSPBIGY-AAEUAGOBSA-N -1 0 349.387 2.424 20 5 EEBDRM CC(C)C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000321790727 279165742 /nfs/dbraw/zinc/16/57/42/279165742.db2.gz WKSSLAPUFOLZPS-SNVBAGLBSA-N -1 0 344.389 2.157 20 5 EEBDRM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000152154441 303924020 /nfs/dbraw/zinc/92/40/20/303924020.db2.gz YPUKSBKRLZGTRF-DFBGVHRSSA-N -1 0 332.356 2.378 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000326305024 311603556 /nfs/dbraw/zinc/60/35/56/311603556.db2.gz IVICSEVPEGSRLR-UHFFFAOYSA-N -1 0 336.344 2.320 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000414625264 313050282 /nfs/dbraw/zinc/05/02/82/313050282.db2.gz JKVGGTGSNMNLHT-UHFFFAOYSA-N -1 0 337.376 2.424 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)s[n-]1 ZINC000421545848 314116956 /nfs/dbraw/zinc/11/69/56/314116956.db2.gz SUFFSWMBJRFRCQ-SECBINFHSA-N -1 0 336.373 2.445 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccsc1 ZINC000436828127 315003038 /nfs/dbraw/zinc/00/30/38/315003038.db2.gz WYGFSWLIXCYBLJ-NSHDSACASA-N -1 0 336.325 2.006 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(OC)c1 ZINC000436863454 315007334 /nfs/dbraw/zinc/00/73/34/315007334.db2.gz ULAKDWUFEPVKPD-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM CN1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2C1=O ZINC000436885617 315009597 /nfs/dbraw/zinc/00/95/97/315009597.db2.gz HQZOTJNTUXMIIE-UHFFFAOYSA-N -1 0 341.323 2.181 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)C=Cc2ccccc2[N+](=O)[O-])s[n-]1 ZINC000493091744 315875450 /nfs/dbraw/zinc/87/54/50/315875450.db2.gz WWMHFXMBQITEFT-FLOXNTQESA-N -1 0 334.357 2.228 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493145508 315892967 /nfs/dbraw/zinc/89/29/67/315892967.db2.gz DKRVGOCURZOEBO-DQOPKJQZSA-N -1 0 336.319 2.460 20 5 EEBDRM CN(CCN(C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000517571535 316676195 /nfs/dbraw/zinc/67/61/95/316676195.db2.gz WQYZGVLSOJVDPX-UHFFFAOYSA-N -1 0 330.344 2.261 20 5 EEBDRM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cs1 ZINC000525689158 317067423 /nfs/dbraw/zinc/06/74/23/317067423.db2.gz CABLPTOPOWLYKX-MRVPVSSYSA-N -1 0 342.402 2.048 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC000540932907 318085000 /nfs/dbraw/zinc/08/50/00/318085000.db2.gz PEMRJFNZSSQIQV-AWEZNQCLSA-N -1 0 336.344 2.152 20 5 EEBDRM CC(=O)N1CCc2c1cccc2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000546719991 318263412 /nfs/dbraw/zinc/26/34/12/318263412.db2.gz PFQAUQABADENSF-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000547795431 318323454 /nfs/dbraw/zinc/32/34/54/318323454.db2.gz PJVSWWJUUDQEQP-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CN(C(=O)NCCc1ccccc1[N+](=O)[O-])C1(C(=O)[O-])CCCC1 ZINC000562429448 318882271 /nfs/dbraw/zinc/88/22/71/318882271.db2.gz IWRGAEJTBDCEJC-UHFFFAOYSA-N -1 0 335.360 2.176 20 5 EEBDRM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000563206613 318984270 /nfs/dbraw/zinc/98/42/70/318984270.db2.gz RLJGDBKUJYGKGZ-CABNGKKXSA-N -1 0 349.387 2.454 20 5 EEBDRM O=C(N[C@H](CO)CC1CCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565026514 319140492 /nfs/dbraw/zinc/14/04/92/319140492.db2.gz SACJRLGHRYZUCK-JTQLQIEISA-N -1 0 328.752 2.235 20 5 EEBDRM CCC[C@](C)(NS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000567585054 319393558 /nfs/dbraw/zinc/39/35/58/319393558.db2.gz MBHMJFDIFQZBBD-AWEZNQCLSA-N -1 0 344.389 2.079 20 5 EEBDRM O=C([O-])c1cnc(NC[C@H](CO)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000568887719 319527871 /nfs/dbraw/zinc/52/78/71/319527871.db2.gz FAYQHXQQIRSPEH-LLVKDONJSA-N -1 0 349.318 2.090 20 5 EEBDRM Cc1cc(S(=O)(=O)N[C@](C)(CC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000572154156 319820957 /nfs/dbraw/zinc/82/09/57/319820957.db2.gz CXHPNIXBRAXQHA-CQSZACIVSA-N -1 0 344.389 2.071 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000572606444 319861826 /nfs/dbraw/zinc/86/18/26/319861826.db2.gz SLCPKVRYJYVTDZ-KRWDZBQOSA-N -1 0 345.355 2.461 20 5 EEBDRM CCC1(CNS(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000574915048 320070669 /nfs/dbraw/zinc/07/06/69/320070669.db2.gz ZSBGHHQZUYPCNZ-UHFFFAOYSA-N -1 0 342.373 2.070 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NC2(C)CCCC2)cc1[N+](=O)[O-] ZINC000575043538 320082077 /nfs/dbraw/zinc/08/20/77/320082077.db2.gz DDLAABWPBNLVCF-UHFFFAOYSA-N -1 0 342.373 2.212 20 5 EEBDRM COc1ccc2c(c1)CN(c1nc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC000577282915 320247023 /nfs/dbraw/zinc/24/70/23/320247023.db2.gz CNLSQSQWQQFRGR-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000580332138 324043133 /nfs/dbraw/zinc/04/31/33/324043133.db2.gz GBXYVWIBTFQXIU-NSHDSACASA-N -1 0 333.369 2.397 20 5 EEBDRM COc1ccc(NC(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000581922099 324340512 /nfs/dbraw/zinc/34/05/12/324340512.db2.gz JMNFDPAGRFWXJJ-SECBINFHSA-N -1 0 337.332 2.463 20 5 EEBDRM O=C([O-])c1cc(N[C@@H]2CCN(CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000581946228 324348182 /nfs/dbraw/zinc/34/81/82/324348182.db2.gz DSOQZIMBNNRWCF-SECBINFHSA-N -1 0 333.266 2.342 20 5 EEBDRM COCCCN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184761614 465024605 /nfs/dbraw/zinc/02/46/05/465024605.db2.gz LTLOFAVYJVCSCY-UHFFFAOYSA-N -1 0 345.355 2.374 20 5 EEBDRM Cc1ccc([C@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])o1 ZINC000184793193 465026918 /nfs/dbraw/zinc/02/69/18/465026918.db2.gz LZLDWCNHGJMEKN-CYBMUJFWSA-N -1 0 332.312 2.416 20 5 EEBDRM C[S@@](=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000184820519 465028081 /nfs/dbraw/zinc/02/80/81/465028081.db2.gz CZLKEORWZHANFW-JBEBIEQOSA-N -1 0 348.380 2.150 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000327800987 465055392 /nfs/dbraw/zinc/05/53/92/465055392.db2.gz AYJAVQZPOVTVJU-UHFFFAOYSA-N -1 0 346.318 2.154 20 5 EEBDRM Nc1nc(C2CCCC2)ncc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000355894605 465279568 /nfs/dbraw/zinc/27/95/68/465279568.db2.gz JGHKSWXJQMPNCI-UHFFFAOYSA-N -1 0 343.343 2.583 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000154374095 462760948 /nfs/dbraw/zinc/76/09/48/462760948.db2.gz QTCAYKXERDYGKA-NILFDRSVSA-N -1 0 348.355 2.351 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3ccccn3n2)cc1C ZINC000130675280 462770258 /nfs/dbraw/zinc/77/02/58/462770258.db2.gz CNAQPOFKBJVMLR-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000119198892 462880552 /nfs/dbraw/zinc/88/05/52/462880552.db2.gz IPTXRYGUOOSZJY-FZMZJTMJSA-N -1 0 330.344 2.220 20 5 EEBDRM COc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000070903430 463392528 /nfs/dbraw/zinc/39/25/28/463392528.db2.gz QCMSAXYMPFYEDN-UHFFFAOYSA-N -1 0 332.312 2.118 20 5 EEBDRM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000035686003 463433350 /nfs/dbraw/zinc/43/33/50/463433350.db2.gz APDAQFFWTHSMTH-UHFFFAOYSA-N -1 0 336.325 2.118 20 5 EEBDRM CCC(CC)S(=O)(=O)[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255510540 463730257 /nfs/dbraw/zinc/73/02/57/463730257.db2.gz LAODEYZXPBIRJF-YFHOEESVSA-N -1 0 326.374 2.243 20 5 EEBDRM Cc1ncc(CN(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000177963330 463819997 /nfs/dbraw/zinc/81/99/97/463819997.db2.gz QAPUGMKTMSHCSX-UHFFFAOYSA-N -1 0 335.341 2.330 20 5 EEBDRM C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000553812330 468380598 /nfs/dbraw/zinc/38/05/98/468380598.db2.gz UJGBVVZJGBQKRC-TXEJJXNPSA-N -1 0 337.376 2.204 20 5 EEBDRM C[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269487678 463998584 /nfs/dbraw/zinc/99/85/84/463998584.db2.gz QZYVNOKZSBTIKC-JGVFFNPUSA-N -1 0 349.206 2.292 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000263359070 464091411 /nfs/dbraw/zinc/09/14/11/464091411.db2.gz XVIHOLSKMQGZEI-MRXNPFEDSA-N -1 0 335.360 2.110 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263480513 464113117 /nfs/dbraw/zinc/11/31/17/464113117.db2.gz NUSRUMRFLZACAT-UHFFFAOYSA-N -1 0 349.387 2.422 20 5 EEBDRM Cc1cc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)ccc1[N+](=O)[O-] ZINC000339600054 465376278 /nfs/dbraw/zinc/37/62/78/465376278.db2.gz YIPKYNHGNIXZFB-UHFFFAOYSA-N -1 0 341.352 2.491 20 5 EEBDRM O=C(CSc1nnc2ccccn21)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000360635638 465588825 /nfs/dbraw/zinc/58/88/25/465588825.db2.gz HTYGZMJQJMIGIK-UHFFFAOYSA-N -1 0 345.340 2.074 20 5 EEBDRM COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000349105679 465973252 /nfs/dbraw/zinc/97/32/52/465973252.db2.gz HAPLXMUSAKMDDK-XQRVVYSFSA-N -1 0 345.311 2.205 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cncs1 ZINC000338428730 466120094 /nfs/dbraw/zinc/12/00/94/466120094.db2.gz XFADWZJUDSRJFA-SSDOTTSWSA-N -1 0 331.350 2.230 20 5 EEBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccoc3)n[nH]2)c1 ZINC000350096192 466384166 /nfs/dbraw/zinc/38/41/66/466384166.db2.gz BEUPNOCCGWSSGS-UHFFFAOYSA-N -1 0 334.313 2.379 20 5 EEBDRM CCO[C@@H](C)c1noc(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000339006656 466562183 /nfs/dbraw/zinc/56/21/83/466562183.db2.gz XVFLRTKAUBNLQC-JTQLQIEISA-N -1 0 336.348 2.413 20 5 EEBDRM COc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000319773205 466600335 /nfs/dbraw/zinc/60/03/35/466600335.db2.gz FUZRHYUJEUICPE-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cnc2c(c1)COCC2 ZINC000363970174 466672423 /nfs/dbraw/zinc/67/24/23/466672423.db2.gz WCZJKSUNNYWMAZ-UHFFFAOYSA-N -1 0 349.368 2.004 20 5 EEBDRM O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000373342811 466771785 /nfs/dbraw/zinc/77/17/85/466771785.db2.gz CZYAQMDJBYMMTF-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000376829735 466938029 /nfs/dbraw/zinc/93/80/29/466938029.db2.gz VVESCJYXUMDLAO-AWEZNQCLSA-N -1 0 330.344 2.320 20 5 EEBDRM O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000433345203 467320690 /nfs/dbraw/zinc/32/06/90/467320690.db2.gz WVFMYQJHOPEZGR-UHFFFAOYSA-N -1 0 342.307 2.448 20 5 EEBDRM CCOC(=O)C[C@@](C)(NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000436580095 467545375 /nfs/dbraw/zinc/54/53/75/467545375.db2.gz FBXFYWUPORDLSG-MRXNPFEDSA-N -1 0 338.360 2.398 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000436624758 467547725 /nfs/dbraw/zinc/54/77/25/467547725.db2.gz AEXDBNOSFQSKJO-SECBINFHSA-N -1 0 344.327 2.282 20 5 EEBDRM CN(C)C(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436740236 467553190 /nfs/dbraw/zinc/55/31/90/467553190.db2.gz PZPICOLUOJOGNK-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM CCOC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000436796104 467554602 /nfs/dbraw/zinc/55/46/02/467554602.db2.gz UDHYKTAEMKBZDW-OAHLLOKOSA-N -1 0 344.323 2.335 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C2 ZINC000492528151 467664886 /nfs/dbraw/zinc/66/48/86/467664886.db2.gz FIWXBDRQCYFNJW-LHQBZWMESA-N -1 0 330.340 2.321 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000518776894 468126570 /nfs/dbraw/zinc/12/65/70/468126570.db2.gz NQALPDIRYKPEIQ-CQSZACIVSA-N -1 0 347.302 2.405 20 5 EEBDRM COc1ccc(CC(=O)Nc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000532873724 468147299 /nfs/dbraw/zinc/14/72/99/468147299.db2.gz VUHHAJXJUGTUIL-UHFFFAOYSA-N -1 0 344.323 2.412 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccnc(-c2ncc[nH]2)c1 ZINC000590317770 468234673 /nfs/dbraw/zinc/23/46/73/468234673.db2.gz FYSKCKMABPWFDB-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CC[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000520575562 468259443 /nfs/dbraw/zinc/25/94/43/468259443.db2.gz USPPFJNGJTWQBC-BDAKNGLRSA-N -1 0 330.362 2.006 20 5 EEBDRM CC(C)[C@]1(C(=O)[O-])CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000582488704 468547768 /nfs/dbraw/zinc/54/77/68/468547768.db2.gz OBLUHNRLEVYTMM-INIZCTEOSA-N -1 0 346.343 2.181 20 5 EEBDRM CCc1nn(C)c(N2CCc3c(F)ccc(C(=O)[O-])c3C2)c1[N+](=O)[O-] ZINC000600679088 468618281 /nfs/dbraw/zinc/61/82/81/468618281.db2.gz YGDPSSBPDRZVFJ-UHFFFAOYSA-N -1 0 348.334 2.291 20 5 EEBDRM Cc1cccc2c1C[C@@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CO2 ZINC000600678407 468618466 /nfs/dbraw/zinc/61/84/66/468618466.db2.gz QCRQGSVFNWBLCK-LLVKDONJSA-N -1 0 329.312 2.412 20 5 EEBDRM O=C([O-])C1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000600866027 468670762 /nfs/dbraw/zinc/67/07/62/468670762.db2.gz HWRZVVXLAPUZDB-UHFFFAOYSA-N -1 0 332.356 2.340 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595252480 468793486 /nfs/dbraw/zinc/79/34/86/468793486.db2.gz ZVOVJDIVMJUJSD-WMLDXEAASA-N -1 0 345.355 2.378 20 5 EEBDRM COc1cccc2c1OC[C@@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000592972019 468832179 /nfs/dbraw/zinc/83/21/79/468832179.db2.gz NWSFIXJUTCUFMD-NSHDSACASA-N -1 0 345.311 2.112 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC([C@H]3CCOC3)CC2)n1 ZINC000592978738 468832423 /nfs/dbraw/zinc/83/24/23/468832423.db2.gz WNMOXWODAIUCTI-LBPRGKRZSA-N -1 0 335.360 2.249 20 5 EEBDRM O=C([O-])c1cncc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000592980203 468833836 /nfs/dbraw/zinc/83/38/36/468833836.db2.gz NZHDMVWXPNDSSR-LBPRGKRZSA-N -1 0 328.328 2.467 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598711880 468968209 /nfs/dbraw/zinc/96/82/09/468968209.db2.gz HKAIRIWCJFUMDJ-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000586502979 469051340 /nfs/dbraw/zinc/05/13/40/469051340.db2.gz OLSFLUBWTNQMJJ-MRVPVSSYSA-N -1 0 342.311 2.373 20 5 EEBDRM CCC[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000563076007 469162921 /nfs/dbraw/zinc/16/29/21/469162921.db2.gz XVJVUVUYIOUMAG-SECBINFHSA-N -1 0 344.389 2.411 20 5 EEBDRM COC(=O)[C@H](Cc1ccccc1)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000616142555 469379765 /nfs/dbraw/zinc/37/97/65/469379765.db2.gz ROGZKSPJMUPIAV-HNNXBMFYSA-N -1 0 330.340 2.174 20 5 EEBDRM O=C(NCCN1Cc2ccccc2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612532143 469488569 /nfs/dbraw/zinc/48/85/69/469488569.db2.gz CBCRXJOKVRFZOL-UHFFFAOYSA-N -1 0 327.340 2.046 20 5 EEBDRM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000614270317 469896604 /nfs/dbraw/zinc/89/66/04/469896604.db2.gz JHPCVWJWLRNCKF-BXUZGUMPSA-N -1 0 330.340 2.195 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H](OCc2ccncc2)C1 ZINC000186406634 534715675 /nfs/dbraw/zinc/71/56/75/534715675.db2.gz RZOJZSSVYJHINY-AWEZNQCLSA-N -1 0 343.339 2.127 20 5 EEBDRM CC(C)Oc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000164240689 528161938 /nfs/dbraw/zinc/16/19/38/528161938.db2.gz NUFJCRBKSJLXSL-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000190355818 528776411 /nfs/dbraw/zinc/77/64/11/528776411.db2.gz DTPTWDPDCOMCFL-UHFFFAOYSA-N -1 0 326.334 2.040 20 5 EEBDRM C[S@](=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000738180087 578002665 /nfs/dbraw/zinc/00/26/65/578002665.db2.gz QUYAVFVRVSOBOP-DEOSSOPVSA-N -1 0 348.336 2.283 20 5 EEBDRM Cn1c(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000739002895 576008811 /nfs/dbraw/zinc/00/88/11/576008811.db2.gz HWZVIGSBCMFHON-UHFFFAOYSA-N -1 0 335.291 2.194 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(N2CCC(C(=O)[O-])CC2)cc1Cl ZINC000738049243 576300841 /nfs/dbraw/zinc/30/08/41/576300841.db2.gz UXVZZHDSRRMHPQ-UHFFFAOYSA-N -1 0 342.735 2.336 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000733062068 577201463 /nfs/dbraw/zinc/20/14/63/577201463.db2.gz MEGBTLLWAWURIH-YFHOEESVSA-N -1 0 340.401 2.490 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772303880 577262797 /nfs/dbraw/zinc/26/27/97/577262797.db2.gz HFMQMMGNMHEAJX-UHFFFAOYSA-N -1 0 347.283 2.147 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])ccc1F ZINC000767088592 577530478 /nfs/dbraw/zinc/53/04/78/577530478.db2.gz CNMFMKYVIHNWFC-UHFFFAOYSA-N -1 0 333.275 2.483 20 5 EEBDRM COc1cccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1F ZINC000769889305 577586484 /nfs/dbraw/zinc/58/64/84/577586484.db2.gz HLNJHEAPUBPJAM-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738869757 578029335 /nfs/dbraw/zinc/02/93/35/578029335.db2.gz MZHNLRCQHJFTMJ-UHFFFAOYSA-N -1 0 346.343 2.146 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738888579 578030061 /nfs/dbraw/zinc/03/00/61/578030061.db2.gz NDIJHYBISCBZDI-CYBMUJFWSA-N -1 0 334.259 2.420 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000740186961 578084729 /nfs/dbraw/zinc/08/47/29/578084729.db2.gz SMZGJHOLTNYQBI-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM CC(C)(C)NC(=O)CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736261848 578191684 /nfs/dbraw/zinc/19/16/84/578191684.db2.gz UFQPYNKWKJHERU-FNORWQNLSA-N -1 0 335.360 2.409 20 5 EEBDRM C[C@@H](CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1)C(=O)[O-] ZINC000736561969 578211430 /nfs/dbraw/zinc/21/14/30/578211430.db2.gz HOKAMSFNCBIZAP-VIFPVBQESA-N -1 0 331.328 2.401 20 5 EEBDRM CNC(=O)c1ccc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000737546957 578263715 /nfs/dbraw/zinc/26/37/15/578263715.db2.gz PNNBMKYVOCMAHL-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cc1 ZINC000737965422 578274824 /nfs/dbraw/zinc/27/48/24/578274824.db2.gz WDFNAFWPUWCURP-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000193701510 599864711 /nfs/dbraw/zinc/86/47/11/599864711.db2.gz MSXAHWOLGQJCJH-ZDUSSCGKSA-N -1 0 332.287 2.160 20 5 EEBDRM CN(CC(=O)OCc1ccc(C(=O)[O-])o1)c1ccccc1[N+](=O)[O-] ZINC000830701801 600969402 /nfs/dbraw/zinc/96/94/02/600969402.db2.gz DVKVKYVQEJNHOP-UHFFFAOYSA-N -1 0 334.284 2.066 20 5 EEBDRM Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000833091352 601063081 /nfs/dbraw/zinc/06/30/81/601063081.db2.gz ODTBIMRJGNUMRB-CYBMUJFWSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000833115443 601101657 /nfs/dbraw/zinc/10/16/57/601101657.db2.gz QHUJPEGQVXJECF-OAHLLOKOSA-N -1 0 349.270 2.482 20 5 EEBDRM O=C([O-])N1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000833278670 601225696 /nfs/dbraw/zinc/22/56/96/601225696.db2.gz GKLFEZITKFTMEI-UHFFFAOYSA-N -1 0 345.153 2.307 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cnc3ccccc3n2)cc([N+](=O)[O-])c1 ZINC000833298467 601294531 /nfs/dbraw/zinc/29/45/31/601294531.db2.gz VRTYOBWECSVGHU-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM CCCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000829346554 601404945 /nfs/dbraw/zinc/40/49/45/601404945.db2.gz ARYYJARKVZJJRS-NSHDSACASA-N -1 0 348.352 2.046 20 5 EEBDRM O=C([O-])c1c[nH]c(=O)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000833294059 601447165 /nfs/dbraw/zinc/44/71/65/601447165.db2.gz LVXZOVRQVLJXSJ-UHFFFAOYSA-N -1 0 337.675 2.299 20 5 EEBDRM Cc1cc(N2CCC(NC(=O)C(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890917 601545665 /nfs/dbraw/zinc/54/56/65/601545665.db2.gz ZSHNJDDCWDVOQJ-UHFFFAOYSA-N -1 0 349.387 2.342 20 5 EEBDRM Nc1c(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cccc1[N+](=O)[O-] ZINC000833090669 602267957 /nfs/dbraw/zinc/26/79/57/602267957.db2.gz SKJJRPZJSCNANQ-ZDUSSCGKSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])CCSCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000833774695 605021688 /nfs/dbraw/zinc/02/16/88/605021688.db2.gz BXORXCRWKWZSOX-UHFFFAOYSA-N -1 0 337.357 2.014 20 5 EEBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CN(C(=O)[O-])C1 ZINC000833508021 605176050 /nfs/dbraw/zinc/17/60/50/605176050.db2.gz GYJGWHKIEQVMNJ-UHFFFAOYSA-N -1 0 339.373 2.187 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nc(C)n1 ZINC000120132135 674652062 /nfs/dbraw/zinc/65/20/62/674652062.db2.gz ACNOMRQTFHUSLG-UHFFFAOYSA-N -1 0 328.375 2.118 20 5 EEBDRM CCC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262318138 685329433 /nfs/dbraw/zinc/32/94/33/685329433.db2.gz VBKAJHYVQULWHG-SCZZXKLOSA-N -1 0 344.751 2.385 20 5 EEBDRM CO[N-]C(=O)CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000896196410 684893768 /nfs/dbraw/zinc/89/37/68/684893768.db2.gz ZXXNKNJNAVZJRJ-UHFFFAOYSA-N -1 0 327.646 2.357 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000263198439 689464888 /nfs/dbraw/zinc/46/48/88/689464888.db2.gz JNUUJDDOTCYQDA-INIZCTEOSA-N -1 0 331.328 2.403 20 5 EEBDRM Cc1c(F)cc([N+](=O)[O-])cc1NC(=N)SCCS(=O)(=O)[O-] ZINC001168096243 1186696778 /nfs/dbraw/zinc/69/67/78/1186696778.db2.gz FBYRKGPXXSQSSD-UHFFFAOYSA-N -1 0 337.354 2.010 20 5 EEBDRM CC(C)OCCO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000812802587 1200935769 /nfs/dbraw/zinc/93/57/69/1200935769.db2.gz QUSDDOYDYSUEIT-SNVBAGLBSA-N -1 0 346.767 2.488 20 5 EEBDRM O=C(CCCC1CC1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000813061321 1201074551 /nfs/dbraw/zinc/07/45/51/1201074551.db2.gz GNXMEKLFGLAZGK-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000120900708 1201431842 /nfs/dbraw/zinc/43/18/42/1201431842.db2.gz XNSVIBMMXYXGMJ-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779656146 1210708860 /nfs/dbraw/zinc/70/88/60/1210708860.db2.gz RCLJDGPJUZPQCV-AWEZNQCLSA-N -1 0 332.360 2.342 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n(C)n1 ZINC000083954998 1211514458 /nfs/dbraw/zinc/51/44/58/1211514458.db2.gz KDXLSKQFTFQDDZ-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM C[C@@](O)(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000119393738 1229503737 /nfs/dbraw/zinc/50/37/37/1229503737.db2.gz QVRKITMKYIYJRM-MRXNPFEDSA-N -1 0 334.303 2.077 20 5 EEBDRM Cc1ccoc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119959604 1229637304 /nfs/dbraw/zinc/63/73/04/1229637304.db2.gz ZZUSFBKNYJTIKX-UHFFFAOYSA-N -1 0 344.732 2.268 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@](O)(c2ccccc2)C1 ZINC000862800515 1295967436 /nfs/dbraw/zinc/96/74/36/1295967436.db2.gz GPQOAESOUVXPRK-SFHVURJKSA-N -1 0 342.351 2.424 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CCc3cc(C)ccc32)c1[N+](=O)[O-] ZINC001226650688 1301494858 /nfs/dbraw/zinc/49/48/58/1301494858.db2.gz BBTGFLQTIZOBDV-LLVKDONJSA-N -1 0 345.311 2.252 20 5 EEBDRM Cc1nn(C)cc1[C@@H](C)Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228240581 1302170897 /nfs/dbraw/zinc/17/08/97/1302170897.db2.gz QIYOFEVXQANKFS-SECBINFHSA-N -1 0 329.316 2.426 20 5 EEBDRM COC(=O)c1nnc(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)[n-]1 ZINC001228315303 1302203018 /nfs/dbraw/zinc/20/30/18/1302203018.db2.gz YPMOWYUQYUHGRK-MRVPVSSYSA-N -1 0 346.221 2.182 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(O[C@@H]4CCCOC4)c3nc2cc1C ZINC001228683667 1302379372 /nfs/dbraw/zinc/37/93/72/1302379372.db2.gz BTFHFPHLRCSUGT-LLVKDONJSA-N -1 0 326.356 2.453 20 5 EEBDRM COC(=O)[C@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001228971502 1302551231 /nfs/dbraw/zinc/55/12/31/1302551231.db2.gz PNWUQZQLTXXHBM-CQSZACIVSA-N -1 0 337.259 2.438 20 5 EEBDRM C[C@@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001231224815 1303689772 /nfs/dbraw/zinc/68/97/72/1303689772.db2.gz RNBXVPMCBGEMJD-SSDOTTSWSA-N -1 0 328.277 2.318 20 5 EEBDRM O=C1COc2cc3nc(-c4cc([N+](=O)[O-])ccc4[O-])[nH]c3cc2N1 ZINC001251044868 1317406756 /nfs/dbraw/zinc/40/67/56/1317406756.db2.gz AGVOGSXDHFDOPX-UHFFFAOYSA-N -1 0 326.268 2.175 20 5 EEBDRM O=[N+]([O-])c1ccnc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1 ZINC001157156691 1318445132 /nfs/dbraw/zinc/44/51/32/1318445132.db2.gz NDYLJOCBBBNYNJ-UHFFFAOYSA-N -1 0 335.256 2.075 20 5 EEBDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001163111109 1321038445 /nfs/dbraw/zinc/03/84/45/1321038445.db2.gz OAWOCFJJPXAFFD-UHFFFAOYSA-N -1 0 341.327 2.480 20 5 EEBDRM COC(=O)c1nn(-c2ccc([O-])c([N+](=O)[O-])c2)c2cccc(N)c12 ZINC001210397947 1325265024 /nfs/dbraw/zinc/26/50/24/1325265024.db2.gz JPUHNHRLSXXNSQ-UHFFFAOYSA-N -1 0 328.284 2.008 20 5 EEBDRM CS(=O)(=O)N1CCc2cc(Nc3ccc([O-])c([N+](=O)[O-])c3)ccc21 ZINC001210401392 1325266239 /nfs/dbraw/zinc/26/62/39/1325266239.db2.gz UWCZLMOQEPMTNV-UHFFFAOYSA-N -1 0 349.368 2.366 20 5 EEBDRM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001608486207 1351702931 /nfs/dbraw/zinc/70/29/31/1351702931.db2.gz ZCXRHYXBNHXLSL-JTQLQIEISA-N -1 0 338.316 2.221 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001601288840 1350249840 /nfs/dbraw/zinc/24/98/40/1350249840.db2.gz AINVDWVJPSWXJC-AWEZNQCLSA-N -1 0 344.726 2.206 20 5 EEBDRM O=C([O-])c1c(Cl)c(NCCCn2ccnn2)ccc1[N+](=O)[O-] ZINC001602233107 1350472272 /nfs/dbraw/zinc/47/22/72/1350472272.db2.gz PMIRECZAQAELMO-UHFFFAOYSA-N -1 0 325.712 2.040 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC001607708646 1351543996 /nfs/dbraw/zinc/54/39/96/1351543996.db2.gz IRKSYGVKLAGCIE-PSASIEDQSA-N -1 0 326.736 2.349 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2snnc2C2CC2)cc([N+](=O)[O-])c1 ZINC001608855991 1351779811 /nfs/dbraw/zinc/77/98/11/1351779811.db2.gz JOMHLFTWNVDPIH-UHFFFAOYSA-N -1 0 334.313 2.274 20 5 EEBDRM O=C([O-])c1ccccc1CC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC001608945137 1351800518 /nfs/dbraw/zinc/80/05/18/1351800518.db2.gz ADDXVQGOLXFPOU-UHFFFAOYSA-N -1 0 344.371 2.402 20 5 EEBDRM O=C([O-])c1ccnc(NCCc2nc3c(s2)CCC3)c1[N+](=O)[O-] ZINC001608953840 1351802146 /nfs/dbraw/zinc/80/21/46/1351802146.db2.gz PPVDDEVONCZFJZ-UHFFFAOYSA-N -1 0 334.357 2.288 20 5 EEBDRM COC(=O)[C@](C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001324488430 1333693763 /nfs/dbraw/zinc/69/37/63/1333693763.db2.gz KKCQISJFNWYYTD-QGZVFWFLSA-N -1 0 330.340 2.478 20 5 EEBDRM CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(C)(C)CC(=O)[O-] ZINC001334657529 1336280149 /nfs/dbraw/zinc/28/01/49/1336280149.db2.gz YGEMWMHWABNALO-UHFFFAOYSA-N -1 0 346.343 2.106 20 5 EEBDRM CC(C)(NC(=O)c1cccc(C(=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC001609680196 1352057091 /nfs/dbraw/zinc/05/70/91/1352057091.db2.gz XFUSWHXYYRIBNO-UHFFFAOYSA-N -1 0 329.312 2.353 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001609729246 1352070876 /nfs/dbraw/zinc/07/08/76/1352070876.db2.gz PCUXACFAVMVIFK-INIZCTEOSA-N -1 0 329.312 2.110 20 5 EEBDRM C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)C(C)(C)C(=O)[O-] ZINC001609797697 1352087250 /nfs/dbraw/zinc/08/72/50/1352087250.db2.gz HQJNWIKFXRXDRJ-ZETCQYMHSA-N -1 0 343.719 2.473 20 5 EEBDRM C[C@H]1COCC[C@H]1CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001609879555 1352110057 /nfs/dbraw/zinc/11/00/57/1352110057.db2.gz XYPHPUDXBLCVPL-IUCAKERBSA-N -1 0 339.304 2.286 20 5 EEBDRM CN(CC1CCCC1)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001610114041 1352165352 /nfs/dbraw/zinc/16/53/52/1352165352.db2.gz YQCKILCDICVSPH-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM O=C([O-])CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC000848599363 1338727225 /nfs/dbraw/zinc/72/72/25/1338727225.db2.gz IGRIEERGIUMYLQ-UHFFFAOYSA-N -1 0 341.751 2.126 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC001610403671 1352217320 /nfs/dbraw/zinc/21/73/20/1352217320.db2.gz DUVIPHYVPGMOOM-UHFFFAOYSA-N -1 0 348.311 2.474 20 5 EEBDRM Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001355661843 1338740537 /nfs/dbraw/zinc/74/05/37/1338740537.db2.gz QXPDOZJGSFQZNM-PHIMTYICSA-N -1 0 329.360 2.188 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC001610511623 1352236230 /nfs/dbraw/zinc/23/62/30/1352236230.db2.gz SXDYLSHHFHIYPT-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001574589214 1343685636 /nfs/dbraw/zinc/68/56/36/1343685636.db2.gz XXYJXWMTOLPRSV-BDAKNGLRSA-N -1 0 344.270 2.179 20 5 EEBDRM Cc1c(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC001600011051 1349955129 /nfs/dbraw/zinc/95/51/29/1349955129.db2.gz KMSAOKYFUSXVPL-OAHLLOKOSA-N -1 0 342.351 2.430 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041058 1349960668 /nfs/dbraw/zinc/96/06/68/1349960668.db2.gz PCHLJBLAAWYSQB-JWKOBGCHSA-N -1 0 337.332 2.289 20 5 EEBDRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c(C)nn1 ZINC001600099480 1349971083 /nfs/dbraw/zinc/97/10/83/1349971083.db2.gz TVLRHCFPVKUWQK-UHFFFAOYSA-N -1 0 330.300 2.261 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](O)Cc2ccccc2F)n1 ZINC001600107270 1349972757 /nfs/dbraw/zinc/97/27/57/1349972757.db2.gz SYIRLDSHURBKEP-LLVKDONJSA-N -1 0 349.318 2.151 20 5 EEBDRM Cc1cc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)oc1C(=O)[O-] ZINC001600209299 1349993526 /nfs/dbraw/zinc/99/35/26/1349993526.db2.gz DSNIOZNGULGBDF-UHFFFAOYSA-N -1 0 330.300 2.361 20 5 EEBDRM Cc1cc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc(C)n1 ZINC001600211451 1349994040 /nfs/dbraw/zinc/99/40/40/1349994040.db2.gz AQRVNLJHIFYLAL-UHFFFAOYSA-N -1 0 331.284 2.057 20 5 EEBDRM Cc1cc(NC(=O)C23CC(C(=O)[O-])(C2)C3)c2cc([N+](=O)[O-])ccc2n1 ZINC001600252161 1350002659 /nfs/dbraw/zinc/00/26/59/1350002659.db2.gz YMYXBSLGSGTPKV-UHFFFAOYSA-N -1 0 341.323 2.067 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001600489712 1350063861 /nfs/dbraw/zinc/06/38/61/1350063861.db2.gz XKRKORSEZZZTOA-AAEUAGOBSA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1n[nH]c(=O)c(CNc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])c1C ZINC001600799470 1350140035 /nfs/dbraw/zinc/14/00/35/1350140035.db2.gz UPWBBPNBRUFCQL-GQCTYLIASA-N -1 0 344.327 2.417 20 5 EEBDRM Cc1oc(CN(C)C(=O)c2c(N)cccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001600842146 1350149107 /nfs/dbraw/zinc/14/91/07/1350149107.db2.gz WGDVOCYMWIROIF-UHFFFAOYSA-N -1 0 333.300 2.049 20 5 EEBDRM Cn1c(Sc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])nnc1C(F)F ZINC001600921273 1350168913 /nfs/dbraw/zinc/16/89/13/1350168913.db2.gz DAAQTOKDSSIJRY-UHFFFAOYSA-N -1 0 344.299 2.439 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001601215017 1350232982 /nfs/dbraw/zinc/23/29/82/1350232982.db2.gz WOJSLAKOSRFBEO-UHFFFAOYSA-N -1 0 341.323 2.074 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001601217056 1350234133 /nfs/dbraw/zinc/23/41/33/1350234133.db2.gz BJWQSAIMKLYFFY-UHFFFAOYSA-N -1 0 327.296 2.078 20 5 EEBDRM O=C(COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001601333260 1350260056 /nfs/dbraw/zinc/26/00/56/1350260056.db2.gz HQLGJSWMBYFLTE-UHFFFAOYSA-N -1 0 343.291 2.262 20 5 EEBDRM O=C([O-])[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCOC1 ZINC001601655875 1350329982 /nfs/dbraw/zinc/32/99/82/1350329982.db2.gz UBJQBKTWRLQTKK-GWCFXTLKSA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC001601663977 1350332017 /nfs/dbraw/zinc/33/20/17/1350332017.db2.gz AQQVWDCTHUMBBR-QLFBSQMISA-N -1 0 341.323 2.035 20 5 EEBDRM O=C([O-])CCSCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001602029243 1350421637 /nfs/dbraw/zinc/42/16/37/1350421637.db2.gz RTWVBKJIKMBSPK-UHFFFAOYSA-N -1 0 331.325 2.063 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001602134348 1350447208 /nfs/dbraw/zinc/44/72/08/1350447208.db2.gz UJFVRDNFPURSTA-UHFFFAOYSA-N -1 0 326.308 2.378 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc([N+](=O)[O-])c1 ZINC001602244332 1350475174 /nfs/dbraw/zinc/47/51/74/1350475174.db2.gz FKILQIZZWXYGCZ-RRFJBIMHSA-N -1 0 348.355 2.059 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@H]2CCc3cccnc32)cc([N+](=O)[O-])c1 ZINC001602246351 1350475584 /nfs/dbraw/zinc/47/55/84/1350475584.db2.gz VCWBMSQEVZYKLH-LLVKDONJSA-N -1 0 341.323 2.148 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H]2CCOC23CCCC3)cc([N+](=O)[O-])c1 ZINC001602247302 1350475921 /nfs/dbraw/zinc/47/59/21/1350475921.db2.gz XLKPKSCXPWFXBZ-ZDUSSCGKSA-N -1 0 334.328 2.125 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](O)CC(F)(F)C1 ZINC001602299394 1350488118 /nfs/dbraw/zinc/48/81/18/1350488118.db2.gz PKDHNBLXJWFPOU-ZETCQYMHSA-N -1 0 336.678 2.153 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC001602403226 1350511320 /nfs/dbraw/zinc/51/13/20/1350511320.db2.gz BTCWIRPUZBPAMU-RYUDHWBXSA-N -1 0 348.277 2.181 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC=C(c3cccnc3)C2)n1 ZINC001602403545 1350511519 /nfs/dbraw/zinc/51/15/19/1350511519.db2.gz LDDWDSVJMHYTHW-UHFFFAOYSA-N -1 0 326.312 2.377 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1F ZINC001602407329 1350512851 /nfs/dbraw/zinc/51/28/51/1350512851.db2.gz QPHRLBWYMZTSGZ-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001602546768 1350543025 /nfs/dbraw/zinc/54/30/25/1350543025.db2.gz WIMVHEIQZHIBNU-UHFFFAOYSA-N -1 0 331.240 2.119 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC001602620999 1350559414 /nfs/dbraw/zinc/55/94/14/1350559414.db2.gz AGRULTQHCUUJOB-UHFFFAOYSA-N -1 0 345.263 2.283 20 5 EEBDRM CC(=O)c1ccc(N[C@H](CC2CCOCC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001603112570 1350642839 /nfs/dbraw/zinc/64/28/39/1350642839.db2.gz UKMBNBGTDNOCGD-CQSZACIVSA-N -1 0 336.344 2.479 20 5 EEBDRM C[C@@](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)(C(=O)[O-])C1CC1 ZINC001604307533 1350912324 /nfs/dbraw/zinc/91/23/24/1350912324.db2.gz ILOMKCBQZWMLFM-KRWDZBQOSA-N -1 0 343.339 2.313 20 5 EEBDRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC001604741503 1350994984 /nfs/dbraw/zinc/99/49/84/1350994984.db2.gz KBCVWNBDDPMCEP-JUDXGUMMSA-N -1 0 332.356 2.410 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[nH]n2)cn1 ZINC001604800709 1351008843 /nfs/dbraw/zinc/00/88/43/1351008843.db2.gz MHZXWSVWHYVITR-UHFFFAOYSA-N -1 0 345.750 2.460 20 5 EEBDRM CCCN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001605311147 1351132462 /nfs/dbraw/zinc/13/24/62/1351132462.db2.gz KMFGCTDPIUFOSA-UHFFFAOYSA-N -1 0 344.389 2.350 20 5 EEBDRM CCCc1[nH]nc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1[N+](=O)[O-] ZINC001605364960 1351145208 /nfs/dbraw/zinc/14/52/08/1351145208.db2.gz WCQMRINHYDRETI-UHFFFAOYSA-N -1 0 336.279 2.360 20 5 EEBDRM CNc1c(C(=O)N(C)Cc2ccc(C(=O)[O-])cn2)cccc1[N+](=O)[O-] ZINC001606309027 1351291460 /nfs/dbraw/zinc/29/14/60/1351291460.db2.gz SVJIPRAZIVTLGM-UHFFFAOYSA-N -1 0 344.327 2.002 20 5 EEBDRM COC(=O)Cc1ccccc1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606483524 1351308948 /nfs/dbraw/zinc/30/89/48/1351308948.db2.gz GUVZMWUNMUMPJI-UHFFFAOYSA-N -1 0 345.311 2.016 20 5 EEBDRM CO[C@@H](CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(F)(F)F ZINC001606671375 1351340152 /nfs/dbraw/zinc/34/01/52/1351340152.db2.gz WBDVLSWMRGRQJT-VIFPVBQESA-N -1 0 337.206 2.166 20 5 EEBDRM CON(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](C)CC(=O)[O-] ZINC001606984731 1351392305 /nfs/dbraw/zinc/39/23/05/1351392305.db2.gz NDLGCRAOXJPAHP-NXEZZACHSA-N -1 0 342.373 2.329 20 5 EEBDRM O=[N+]([O-])c1cn(CCCOc2cccc(Cl)c2)nc1-c1nnn[n-]1 ZINC001607085555 1351411738 /nfs/dbraw/zinc/41/17/38/1351411738.db2.gz VUBCEJLWPFYQTN-UHFFFAOYSA-N -1 0 349.738 2.094 20 5 EEBDRM COc1ccc(CN(C)c2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1O ZINC001607250871 1351458653 /nfs/dbraw/zinc/45/86/53/1351458653.db2.gz RCSWZRLRXMQMFX-UHFFFAOYSA-N -1 0 333.300 2.039 20 5 EEBDRM COc1cnc(F)c(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001607353056 1351480595 /nfs/dbraw/zinc/48/05/95/1351480595.db2.gz HUYYFZJKHQWEGY-UHFFFAOYSA-N -1 0 336.231 2.055 20 5 EEBDRM Cc1cc(COC(=O)CCCn2ccc(C(=O)[O-])n2)ccc1[N+](=O)[O-] ZINC001607653296 1351533999 /nfs/dbraw/zinc/53/39/99/1351533999.db2.gz YJFBGYLLZVZXJV-UHFFFAOYSA-N -1 0 347.327 2.322 20 5 EEBDRM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC001607661879 1351535258 /nfs/dbraw/zinc/53/52/58/1351535258.db2.gz DAGPHNWSAMPQHY-CQSZACIVSA-N -1 0 348.286 2.304 20 5 EEBDRM Cc1cc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)nnc1C ZINC001607695918 1351541671 /nfs/dbraw/zinc/54/16/71/1351541671.db2.gz PDSRANNJYYJNNL-UHFFFAOYSA-N -1 0 332.316 2.077 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001607984295 1351597956 /nfs/dbraw/zinc/59/79/56/1351597956.db2.gz ATSCPIZCVJMMBY-UHFFFAOYSA-N -1 0 334.259 2.284 20 5 EEBDRM Cn1nc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c2ccccc21 ZINC001608147741 1351634987 /nfs/dbraw/zinc/63/49/87/1351634987.db2.gz BOSBHWKVCUJNDV-UHFFFAOYSA-N -1 0 327.300 2.187 20 5 EEBDRM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001608159426 1351637271 /nfs/dbraw/zinc/63/72/71/1351637271.db2.gz RHGHGQQEYBNXEU-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM CC(C)CCn1cc(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])nn1 ZINC000837538893 1372790377 /nfs/dbraw/zinc/79/03/77/1372790377.db2.gz RBFBAGMOZTYTJY-UHFFFAOYSA-N -1 0 334.332 2.295 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1coc2ccccc12 ZINC000172017109 1405732029 /nfs/dbraw/zinc/73/20/29/1405732029.db2.gz BCWVCGSQYBGCHQ-UHFFFAOYSA-N -1 0 346.320 2.460 20 5 EEBDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000796721476 761561976 /nfs/dbraw/zinc/56/19/76/761561976.db2.gz XWXGNDITTFSXHW-UHFFFAOYSA-N -1 0 348.380 2.259 20 5 EEBDRM O=C([O-])C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCOC1 ZINC000823343572 787699661 /nfs/dbraw/zinc/69/96/61/787699661.db2.gz ZRNQKOOZXDNDGT-CQSZACIVSA-N -1 0 342.735 2.002 20 5 EEBDRM C[C@](O)(CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000844209930 788927480 /nfs/dbraw/zinc/92/74/80/788927480.db2.gz LIVVGKUMHPIXKQ-INIZCTEOSA-N -1 0 331.328 2.398 20 5 EEBDRM CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)c1n[nH]c(C)c1[O-] ZINC001106725953 796294493 /nfs/dbraw/zinc/29/44/93/796294493.db2.gz WNNDQUKOMAXXDD-UHFFFAOYSA-N -1 0 347.375 2.215 20 5 EEBDRM CCn1cnc2c1ncnc2Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503162 797784321 /nfs/dbraw/zinc/78/43/21/797784321.db2.gz FUSZDPLQNPXVKE-UHFFFAOYSA-N -1 0 328.288 2.196 20 5 EEBDRM Nc1nc(Cl)cc2ncn(-c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c21 ZINC001174504220 797785104 /nfs/dbraw/zinc/78/51/04/797785104.db2.gz YRNIHXMQOMRROH-UHFFFAOYSA-N -1 0 333.691 2.263 20 5 EEBDRM CCOC(=O)c1ncc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001176678529 798525883 /nfs/dbraw/zinc/52/58/83/798525883.db2.gz SCRMPKGYNGYIGH-UHFFFAOYSA-N -1 0 332.272 2.003 20 5 EEBDRM Nc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001601216434 970956320 /nfs/dbraw/zinc/95/63/20/970956320.db2.gz BBNYDIPPXZEPIU-UHFFFAOYSA-N -1 0 336.348 2.286 20 5 EEBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC001589592905 949111033 /nfs/dbraw/zinc/11/10/33/949111033.db2.gz VLNFJRFFQIYRJE-INIZCTEOSA-N -1 0 335.360 2.110 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001595262435 949690597 /nfs/dbraw/zinc/69/05/97/949690597.db2.gz CXFACDBGCVIESD-STQMWFEESA-N -1 0 327.296 2.430 20 5 EEBDRM O=C([O-])CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CCC1 ZINC001595067800 951575620 /nfs/dbraw/zinc/57/56/20/951575620.db2.gz SZDGWEGNAOUJOK-UHFFFAOYSA-N -1 0 344.327 2.064 20 5 EEBDRM O=C([O-])[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CC1 ZINC001594836017 954025895 /nfs/dbraw/zinc/02/58/95/954025895.db2.gz OBRMYQZRFDYSDZ-ZDUSSCGKSA-N -1 0 330.300 2.034 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001589435994 954687250 /nfs/dbraw/zinc/68/72/50/954687250.db2.gz SUSKDRNTITXLTM-VIFPVBQESA-N -1 0 332.259 2.131 20 5 EEBDRM Cc1cc(OCC(=O)Nc2ccnc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001594327896 958188195 /nfs/dbraw/zinc/18/81/95/958188195.db2.gz CTGXKIFECQUUOY-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594112430 958526773 /nfs/dbraw/zinc/52/67/73/958526773.db2.gz QWCJGOVFGTXFGA-CQSZACIVSA-N -1 0 348.286 2.298 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001588583502 959278957 /nfs/dbraw/zinc/27/89/57/959278957.db2.gz SBOOJQGWYKLPFE-QMMMGPOBSA-N -1 0 328.271 2.151 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CC1 ZINC001588589044 959331744 /nfs/dbraw/zinc/33/17/44/959331744.db2.gz CUJFTKXCNSPNER-ZCFIWIBFSA-N -1 0 330.699 2.465 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC001574382688 961120996 /nfs/dbraw/zinc/12/09/96/961120996.db2.gz WBRHZFIFBUIURT-CYBMUJFWSA-N -1 0 336.344 2.138 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001573932086 961584055 /nfs/dbraw/zinc/58/40/55/961584055.db2.gz NBMBTAKXCGQXAH-UHFFFAOYSA-N -1 0 336.329 2.380 20 5 EEBDRM O=C([O-])c1ccccc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001574522262 961861748 /nfs/dbraw/zinc/86/17/48/961861748.db2.gz VAJCBFIDXWTECP-UHFFFAOYSA-N -1 0 343.339 2.411 20 5 EEBDRM CCOc1cc(NC(=O)[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCC ZINC001610372875 970733395 /nfs/dbraw/zinc/73/33/95/970733395.db2.gz VAMDTOZLTJOCFZ-QMMMGPOBSA-N -1 0 326.305 2.051 20 5 EEBDRM C[C@H](OC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001605054016 972672590 /nfs/dbraw/zinc/67/25/90/972672590.db2.gz WEBUNNYZTZVERH-QJPTWQEYSA-N -1 0 337.328 2.469 20 5 EEBDRM O=C([O-])c1ccc(F)c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001606495911 973984010 /nfs/dbraw/zinc/98/40/10/973984010.db2.gz PJASJMNMAVHTNQ-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM CCOC(=O)c1cc(-c2nc([C@@H](C)C(=O)[O-])no2)cc([N+](=O)[O-])c1 ZINC001603810135 974280733 /nfs/dbraw/zinc/28/07/33/974280733.db2.gz CLLBCUWSIMHYOX-SSDOTTSWSA-N -1 0 335.272 2.010 20 5 EEBDRM CC(C)n1ncnc1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001592169040 977063875 /nfs/dbraw/zinc/06/38/75/977063875.db2.gz FJLNOKDVTYYURC-XQRVVYSFSA-N -1 0 331.332 2.477 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C1CC1 ZINC001592298789 977648596 /nfs/dbraw/zinc/64/85/96/977648596.db2.gz VODOIOXNLHMDLB-CQSZACIVSA-N -1 0 325.296 2.499 20 5 EEBDRM CCC(CC)(NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001595093815 979393902 /nfs/dbraw/zinc/39/39/02/979393902.db2.gz ZQOYOIFANQICMR-UHFFFAOYSA-N -1 0 330.287 2.446 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000864202199 979881448 /nfs/dbraw/zinc/88/14/48/979881448.db2.gz PICGEJQFHJEGKR-IAQYHMDHSA-N -1 0 348.355 2.228 20 5 EEBDRM CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)[O-] ZINC001595636846 981923023 /nfs/dbraw/zinc/92/30/23/981923023.db2.gz VKDVOYVWAKROIR-LLVKDONJSA-N -1 0 341.339 2.173 20 5 EEBDRM C[C@H](CNC(=O)OC(C)(C)C)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599891359 984698470 /nfs/dbraw/zinc/69/84/70/984698470.db2.gz LZUBFBSCXDONMJ-MRVPVSSYSA-N -1 0 340.336 2.013 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001589002674 984947931 /nfs/dbraw/zinc/94/79/31/984947931.db2.gz QGAGUTPMDVYTKD-FROQITRMSA-N -1 0 336.369 2.027 20 5 EEBDRM CC(=O)NC1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001589119323 985378361 /nfs/dbraw/zinc/37/83/61/985378361.db2.gz BDDCFUSQEXNUEF-UHFFFAOYSA-N -1 0 335.360 2.461 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC001594488780 985587259 /nfs/dbraw/zinc/58/72/59/985587259.db2.gz JSTXTEBKAMNFBW-JTQLQIEISA-N -1 0 334.328 2.077 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)n1 ZINC001597899391 989769793 /nfs/dbraw/zinc/76/97/93/989769793.db2.gz JOPPAQBWXXPUNQ-SNVBAGLBSA-N -1 0 344.327 2.030 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC001591019278 991303544 /nfs/dbraw/zinc/30/35/44/991303544.db2.gz VDZPIWFZBIKAGA-JTQLQIEISA-N -1 0 334.250 2.453 20 5 EEBDRM COc1ccccc1C[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)C(=O)[O-] ZINC001599710593 991364031 /nfs/dbraw/zinc/36/40/31/991364031.db2.gz PUVXPFOVDONWGW-GFCCVEGCSA-N -1 0 346.343 2.057 20 5 EEBDRM C[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599774551 992285843 /nfs/dbraw/zinc/28/58/43/992285843.db2.gz BDSLXWOMRZWOGK-WCBZVUCDSA-N -1 0 340.401 2.324 20 5 EEBDRM CN(Cc1nc2ccccc2n1C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598537830 992861288 /nfs/dbraw/zinc/86/12/88/992861288.db2.gz QSOYYYFRQQGIDU-UHFFFAOYSA-N -1 0 341.327 2.211 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N[C@@H]2CCC2(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169905 994024043 /nfs/dbraw/zinc/02/40/43/994024043.db2.gz GQWBIMNKJZYNBW-TVQRCGJNSA-N -1 0 335.360 2.398 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CN[C@](C)(CC(=O)[O-])c1cccnc1 ZINC001599622222 994100485 /nfs/dbraw/zinc/10/04/85/994100485.db2.gz CXYUQWUTTNDGQE-QGZVFWFLSA-N -1 0 345.355 2.478 20 5 EEBDRM CNC(=O)Oc1cccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001598654395 994497263 /nfs/dbraw/zinc/49/72/63/994497263.db2.gz NBFNVONTEMQABW-UHFFFAOYSA-N -1 0 332.272 2.150 20 5 EEBDRM CON(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H](C)CC(=O)[O-] ZINC001599313988 997466363 /nfs/dbraw/zinc/46/63/63/997466363.db2.gz ZVLMERUHOMDASJ-DTWKUNHWSA-N -1 0 328.296 2.091 20 5 EEBDRM C[C@@]1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC001594027170 997570992 /nfs/dbraw/zinc/57/09/92/997570992.db2.gz NYCIWVNSLQYNJP-PBHICJAKSA-N -1 0 348.355 2.228 20 5 EEBDRM COc1c(C(=O)NCc2ccc(C(=O)[O-])cc2F)cccc1[N+](=O)[O-] ZINC001599328418 997704503 /nfs/dbraw/zinc/70/45/03/997704503.db2.gz RMFYJXDNMLPHDY-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001599462521 998298867 /nfs/dbraw/zinc/29/88/67/998298867.db2.gz XRBWAOKFOVACSF-OAHLLOKOSA-N -1 0 332.312 2.225 20 5 EEBDRM O=C(NCCCn1cnc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159906879 237225233 /nfs/dbraw/zinc/22/52/33/237225233.db2.gz HMCGXHSLINKSIK-UHFFFAOYSA-N -1 0 340.339 2.470 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262799619 304117769 /nfs/dbraw/zinc/11/77/69/304117769.db2.gz CODZCHBHYRPBGL-KGLIPLIRSA-N -1 0 335.360 2.156 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262897435 304118516 /nfs/dbraw/zinc/11/85/16/304118516.db2.gz LZOKTSCMKKTNKR-OLZOCXBDSA-N -1 0 347.371 2.178 20 5 EEBDRM O=C([O-])CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000237916194 242854194 /nfs/dbraw/zinc/85/41/94/242854194.db2.gz ZVAHKPOOZXVGHP-UHFFFAOYSA-N -1 0 335.360 2.180 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262591055 245049702 /nfs/dbraw/zinc/04/97/02/245049702.db2.gz HTGPZAYZEWJBSE-UHFFFAOYSA-N -1 0 347.327 2.222 20 5 EEBDRM CC(C)CC(=O)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000130451651 205241096 /nfs/dbraw/zinc/24/10/96/205241096.db2.gz HIRAIWBMGIWIQT-UHFFFAOYSA-N -1 0 349.387 2.067 20 5 EEBDRM Cc1noc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)n1 ZINC000157621288 206147497 /nfs/dbraw/zinc/14/74/97/206147497.db2.gz IABPXSFESLBGCY-UHFFFAOYSA-N -1 0 332.316 2.012 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@H](C3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000263563637 304222252 /nfs/dbraw/zinc/22/22/52/304222252.db2.gz DLTMACDOVYSDMM-LBPRGKRZSA-N -1 0 348.355 2.182 20 5 EEBDRM CC(C)(C)c1nnc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000273477065 256299943 /nfs/dbraw/zinc/29/99/43/256299943.db2.gz YZFHPAWLIQZVHK-UHFFFAOYSA-N -1 0 336.373 2.379 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000062874456 132805721 /nfs/dbraw/zinc/80/57/21/132805721.db2.gz QJQZWGCVTJPHHT-LBPRGKRZSA-N -1 0 344.165 2.443 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000262701665 152307516 /nfs/dbraw/zinc/30/75/16/152307516.db2.gz CJTDZKRTACPBSX-CQSZACIVSA-N -1 0 338.316 2.448 20 5 EEBDRM NC(=O)CN(CCC1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000129935012 292364960 /nfs/dbraw/zinc/36/49/60/292364960.db2.gz OJCDWWJLIUXZDJ-UHFFFAOYSA-N -1 0 349.387 2.198 20 5 EEBDRM CC(=O)N1CCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])ccc21 ZINC000130350536 292372113 /nfs/dbraw/zinc/37/21/13/292372113.db2.gz CEBASTFYLSKUES-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1C(N)=O ZINC000103425760 159277679 /nfs/dbraw/zinc/27/76/79/159277679.db2.gz BJRDVAJZSQXHIO-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM NC(=O)CCSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000108721828 159343035 /nfs/dbraw/zinc/34/30/35/159343035.db2.gz GIICFTQHRXOOMQ-UHFFFAOYSA-N -1 0 335.341 2.408 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000237989024 160226960 /nfs/dbraw/zinc/22/69/60/160226960.db2.gz YSXOJVMPQUOALV-INIZCTEOSA-N -1 0 343.339 2.339 20 5 EEBDRM COCc1nc(=NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)s[n-]1 ZINC000344072836 161195983 /nfs/dbraw/zinc/19/59/83/161195983.db2.gz MUXVNAIMDMPAJO-UHFFFAOYSA-N -1 0 336.373 2.192 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)c2cccc(C(=O)[O-])n2)cc1[N+](=O)[O-] ZINC000345780737 161331789 /nfs/dbraw/zinc/33/17/89/161331789.db2.gz GEYAGUGJGVWSDB-JTQLQIEISA-N -1 0 329.312 2.487 20 5 EEBDRM Nc1c(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000345976299 161347077 /nfs/dbraw/zinc/34/70/77/161347077.db2.gz JEOPDSRODCHHMZ-LBPRGKRZSA-N -1 0 335.360 2.330 20 5 EEBDRM CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151446635 292473861 /nfs/dbraw/zinc/47/38/61/292473861.db2.gz ZHJRWSBQCNXWLW-CSKARUKUSA-N -1 0 340.401 2.186 20 5 EEBDRM CCOC(=O)c1cnc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])s1 ZINC000357164613 163640873 /nfs/dbraw/zinc/64/08/73/163640873.db2.gz ATUORPRVSYSKGD-ARJAWSKDSA-N -1 0 349.324 2.492 20 5 EEBDRM O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272639678 269002423 /nfs/dbraw/zinc/00/24/23/269002423.db2.gz DHCMTXPBBYGXTO-NHYWBVRUSA-N -1 0 338.385 2.085 20 5 EEBDRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000275342668 269108790 /nfs/dbraw/zinc/10/87/90/269108790.db2.gz RVEITNHWQUVMTC-NSHDSACASA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1noc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000286234191 274851171 /nfs/dbraw/zinc/85/11/71/274851171.db2.gz BKAUDAFVKHDSFD-GFCCVEGCSA-N -1 0 332.316 2.359 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000288073946 275020770 /nfs/dbraw/zinc/02/07/70/275020770.db2.gz YWYXFBREXAHWBP-ZDUSSCGKSA-N -1 0 348.277 2.220 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000290501654 275213092 /nfs/dbraw/zinc/21/30/92/275213092.db2.gz KRBNCRMUJDAGRV-UHFFFAOYSA-N -1 0 344.389 2.098 20 5 EEBDRM CCc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262903522 288532958 /nfs/dbraw/zinc/53/29/58/288532958.db2.gz IFRPJBSAHHXOLP-KCQAQPDRSA-N -1 0 332.356 2.483 20 5 EEBDRM CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])Cc2ccccc21 ZINC000370366824 290030043 /nfs/dbraw/zinc/03/00/43/290030043.db2.gz MLABZCWSQSMYPE-UHFFFAOYSA-N -1 0 327.340 2.393 20 5 EEBDRM C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000320966558 311595955 /nfs/dbraw/zinc/59/59/55/311595955.db2.gz NMKLADUCJWVXCG-GHMZBOCLSA-N -1 0 344.389 2.153 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000322265123 311598004 /nfs/dbraw/zinc/59/80/04/311598004.db2.gz IJXROKMSEQAITG-QPUJVOFHSA-N -1 0 325.321 2.224 20 5 EEBDRM Cc1c(CNC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000326372008 311603617 /nfs/dbraw/zinc/60/36/17/311603617.db2.gz JUDCFRGUQSGMCJ-IINYFYTJSA-N -1 0 335.360 2.298 20 5 EEBDRM Cn1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000331866902 311916327 /nfs/dbraw/zinc/91/63/27/311916327.db2.gz GHVNGLZFQVFDGB-AWEZNQCLSA-N -1 0 330.344 2.401 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000416445158 313224712 /nfs/dbraw/zinc/22/47/12/313224712.db2.gz KCQJORFIXJCKCA-FZMZJTMJSA-N -1 0 335.360 2.025 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000416447060 313225642 /nfs/dbraw/zinc/22/56/42/313225642.db2.gz QPBFLVUKYSDDAF-MEDUHNTESA-N -1 0 334.328 2.073 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N(CCO)Cc1cccc(F)c1 ZINC000436808414 315000564 /nfs/dbraw/zinc/00/05/64/315000564.db2.gz PBOGTVMEUIIJRA-UHFFFAOYSA-N -1 0 334.303 2.074 20 5 EEBDRM O=C(NCCOc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436869346 315008220 /nfs/dbraw/zinc/00/82/20/315008220.db2.gz CVEYKBCOWAXFCL-UHFFFAOYSA-N -1 0 338.266 2.387 20 5 EEBDRM O=C(NCCn1cnc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436963783 315017332 /nfs/dbraw/zinc/01/73/32/315017332.db2.gz HHDBTNUVQKKDFY-UHFFFAOYSA-N -1 0 326.312 2.080 20 5 EEBDRM O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436989491 315020680 /nfs/dbraw/zinc/02/06/80/315020680.db2.gz MIVZONQACIZRCL-LBPRGKRZSA-N -1 0 348.330 2.021 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c([N+](=O)[O-])n1 ZINC000443414790 315246464 /nfs/dbraw/zinc/24/64/64/315246464.db2.gz GNHKYQSJRKANGF-UHFFFAOYSA-N -1 0 347.356 2.160 20 5 EEBDRM COC(=O)Nc1cccc(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000495630867 316029213 /nfs/dbraw/zinc/02/92/13/316029213.db2.gz IKJZVTUYSZUUAB-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000536537796 317999087 /nfs/dbraw/zinc/99/90/87/317999087.db2.gz JMTUOKVFPNLVLI-UHFFFAOYSA-N -1 0 333.695 2.009 20 5 EEBDRM CN1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000543719485 318168562 /nfs/dbraw/zinc/16/85/62/318168562.db2.gz PTBWSJZJISJQHN-HNNXBMFYSA-N -1 0 327.340 2.217 20 5 EEBDRM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000548116786 318356707 /nfs/dbraw/zinc/35/67/07/318356707.db2.gz WMKQQFYIIYCMDV-UHFFFAOYSA-N -1 0 344.323 2.344 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000559413656 318747882 /nfs/dbraw/zinc/74/78/82/318747882.db2.gz QNSZWEKWIYCPND-CYBMUJFWSA-N -1 0 331.284 2.248 20 5 EEBDRM Cc1noc(C(C)(C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000563813154 319045977 /nfs/dbraw/zinc/04/59/77/319045977.db2.gz KIQABFCWMFAXRY-UHFFFAOYSA-N -1 0 340.723 2.310 20 5 EEBDRM CCc1nn(C)c(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000565835539 319219434 /nfs/dbraw/zinc/21/94/34/319219434.db2.gz FMHREQJOIZJCKB-CHWSQXEVSA-N -1 0 344.371 2.195 20 5 EEBDRM C[C@H]1C[C@@H](CO)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565954532 319230154 /nfs/dbraw/zinc/23/01/54/319230154.db2.gz ZXTAQMJNBYDKGP-IUCAKERBSA-N -1 0 328.752 2.187 20 5 EEBDRM O=C([O-])c1ccnc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000566293472 319270544 /nfs/dbraw/zinc/27/05/44/319270544.db2.gz UNWPUNWBNDGSMO-OTYXRUKQSA-N -1 0 339.373 2.155 20 5 EEBDRM Cn1cc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2(C)C)cn1 ZINC000566456646 319290207 /nfs/dbraw/zinc/29/02/07/319290207.db2.gz OINCEDSWUWHFTB-AWEZNQCLSA-N -1 0 344.371 2.300 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](CO)Cc2ccccc2)n1 ZINC000566621913 319306530 /nfs/dbraw/zinc/30/65/30/319306530.db2.gz NGWSBBOGMGZTGO-GFCCVEGCSA-N -1 0 331.328 2.012 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCC[C@H]1CCO ZINC000570214738 319645956 /nfs/dbraw/zinc/64/59/56/319645956.db2.gz BQICSUQFWSKMQT-JTQLQIEISA-N -1 0 328.752 2.331 20 5 EEBDRM Cc1cc(N2CCC[C@H](c3nncn3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576468783 320174949 /nfs/dbraw/zinc/17/49/49/320174949.db2.gz JNDGEVNCXSCPGT-NSHDSACASA-N -1 0 345.359 2.114 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2C[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000577175291 320238452 /nfs/dbraw/zinc/23/84/52/320238452.db2.gz OARCUJNZYSJJHM-IUCAKERBSA-N -1 0 342.373 2.020 20 5 EEBDRM O=C([O-])c1cc(N2CCSC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000578240158 320303573 /nfs/dbraw/zinc/30/35/73/320303573.db2.gz JMALTLYSARZBAD-UHFFFAOYSA-N -1 0 338.385 2.395 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCOCC12CCC2 ZINC000578629727 323671490 /nfs/dbraw/zinc/67/14/90/323671490.db2.gz GBHWOCFNUIXRCQ-UHFFFAOYSA-N -1 0 326.736 2.349 20 5 EEBDRM CC(C)(C)Oc1cc(N2CCO[C@@H](CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000578656300 323677846 /nfs/dbraw/zinc/67/78/46/323677846.db2.gz PPEDRJIOVVMCPJ-LBPRGKRZSA-N -1 0 338.360 2.452 20 5 EEBDRM CO[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000580556404 324087434 /nfs/dbraw/zinc/08/74/34/324087434.db2.gz OYPRZHKBHROCCX-LBPRGKRZSA-N -1 0 331.328 2.358 20 5 EEBDRM Cc1cc(N2CC[C@@](O)(C(F)(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000582303738 324426135 /nfs/dbraw/zinc/42/61/35/324426135.db2.gz LPDFGLRIIPSSEX-LBPRGKRZSA-N -1 0 334.250 2.105 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nc(C(C)(C)C)no1 ZINC000184832572 465028275 /nfs/dbraw/zinc/02/82/75/465028275.db2.gz CYYXXCJESKXVGX-MRVPVSSYSA-N -1 0 334.332 2.472 20 5 EEBDRM COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c2ccccc12 ZINC000006924697 462712963 /nfs/dbraw/zinc/71/29/63/462712963.db2.gz JDHXDHJPWQAPOE-SOFGYWHQSA-N -1 0 339.307 2.304 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc1C ZINC000130779174 462775465 /nfs/dbraw/zinc/77/54/65/462775465.db2.gz JHGNSPCNZNJXRO-UHFFFAOYSA-N -1 0 347.356 2.284 20 5 EEBDRM COc1ccccc1CN(CCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000091790073 462907233 /nfs/dbraw/zinc/90/72/33/462907233.db2.gz APKDUIZQCLTUPV-UHFFFAOYSA-N -1 0 332.356 2.304 20 5 EEBDRM Cc1nsc(N2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000093716629 463044787 /nfs/dbraw/zinc/04/47/87/463044787.db2.gz JKVPADMNEHMWEU-UHFFFAOYSA-N -1 0 349.416 2.173 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CC1(O)CCCCCC1 ZINC000160987172 463388658 /nfs/dbraw/zinc/38/86/58/463388658.db2.gz QRDYOBFNYSDSAP-UHFFFAOYSA-N -1 0 346.380 2.098 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1n1ccnc1 ZINC000125582508 463559153 /nfs/dbraw/zinc/55/91/53/463559153.db2.gz OPCGDGNABAKTPL-RISCZKNCSA-N -1 0 330.344 2.220 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](O)Cc1ccccc1 ZINC000185378112 463811790 /nfs/dbraw/zinc/81/17/90/463811790.db2.gz VBDUPFNYORJLMK-XHDPSFHLSA-N -1 0 330.340 2.022 20 5 EEBDRM CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](CC)C(=O)OCC ZINC000276977855 463828695 /nfs/dbraw/zinc/82/86/95/463828695.db2.gz VMTKEBGEZYUWTF-CYBMUJFWSA-N -1 0 338.360 2.494 20 5 EEBDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])o1 ZINC000194790108 463928525 /nfs/dbraw/zinc/92/85/25/463928525.db2.gz XIXABCKQQJBGNC-UHFFFAOYSA-N -1 0 344.324 2.215 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000262093396 463944403 /nfs/dbraw/zinc/94/44/03/463944403.db2.gz LOSJCDDTIZYKCW-UHFFFAOYSA-N -1 0 345.355 2.309 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000263388296 464096519 /nfs/dbraw/zinc/09/65/19/464096519.db2.gz CIWJVHQPRINJCA-UHFFFAOYSA-N -1 0 332.234 2.208 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](OCC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000263526558 464124214 /nfs/dbraw/zinc/12/42/14/464124214.db2.gz KEICMOZRHPXZJI-OAHLLOKOSA-N -1 0 348.355 2.324 20 5 EEBDRM COc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000263554638 464129276 /nfs/dbraw/zinc/12/92/76/464129276.db2.gz YEHSAKGLDNYIBK-SKDRFNHKSA-N -1 0 336.344 2.095 20 5 EEBDRM CCCNC(=O)C1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000179471931 464140643 /nfs/dbraw/zinc/14/06/43/464140643.db2.gz KKIAILRKGPJKBA-UHFFFAOYSA-N -1 0 349.387 2.259 20 5 EEBDRM C[C@@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236730177 464220448 /nfs/dbraw/zinc/22/04/48/464220448.db2.gz IHDDTOITWMRREU-LBPRGKRZSA-N -1 0 349.387 2.282 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237522660 464333572 /nfs/dbraw/zinc/33/35/72/464333572.db2.gz UNHXZAGADLEQPZ-MRXNPFEDSA-N -1 0 335.360 2.110 20 5 EEBDRM O=C([O-])CC[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000238002173 464418528 /nfs/dbraw/zinc/41/85/28/464418528.db2.gz CZOWMCPJOLSDAD-GFCCVEGCSA-N -1 0 335.360 2.110 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc3cccnc32)c([N+](=O)[O-])n1 ZINC000339691450 465447548 /nfs/dbraw/zinc/44/75/48/465447548.db2.gz VRDCWKLVTNGUPL-UHFFFAOYSA-N -1 0 347.356 2.160 20 5 EEBDRM CCOc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1CO ZINC000357122699 465790206 /nfs/dbraw/zinc/79/02/06/465790206.db2.gz KBQHMZWTQMJLIL-UHFFFAOYSA-N -1 0 332.312 2.444 20 5 EEBDRM CCOC(=O)c1cnc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])s1 ZINC000357164616 465824290 /nfs/dbraw/zinc/82/42/90/465824290.db2.gz ATUORPRVSYSKGD-ONEGZZNKSA-N -1 0 349.324 2.492 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361783804 466287145 /nfs/dbraw/zinc/28/71/45/466287145.db2.gz XZQDWSUOTPVZRH-UHFFFAOYSA-N -1 0 336.251 2.126 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCOc2ccccc2)cc([N+](=O)[O-])c1 ZINC000350101481 466385530 /nfs/dbraw/zinc/38/55/30/466385530.db2.gz WXCMTCJKDAGIRO-UHFFFAOYSA-N -1 0 330.296 2.102 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccoc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000350141038 466400037 /nfs/dbraw/zinc/40/00/37/466400037.db2.gz AUCFTVQRENIXHN-UHFFFAOYSA-N -1 0 348.340 2.483 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)cc1[N+](=O)[O-] ZINC000362029118 466496896 /nfs/dbraw/zinc/49/68/96/466496896.db2.gz RBFOABYELNZZRN-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM O=[N+]([O-])c1ccccc1NCCN1c2ccccc2[N-]S1(=O)=O ZINC000430541940 467436339 /nfs/dbraw/zinc/43/63/39/467436339.db2.gz ISJGTBUVRXOXFH-UHFFFAOYSA-N -1 0 334.357 2.184 20 5 EEBDRM COc1cccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1[N+](=O)[O-] ZINC000435728112 467491590 /nfs/dbraw/zinc/49/15/90/467491590.db2.gz IGIBQTQVZNZZHP-UHFFFAOYSA-N -1 0 336.373 2.427 20 5 EEBDRM CC(C)CN(Cc1cnn(C)c1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000457343452 467806152 /nfs/dbraw/zinc/80/61/52/467806152.db2.gz NDZWLBGOIJJYLG-UHFFFAOYSA-N -1 0 332.360 2.332 20 5 EEBDRM Cc1cc(N2CCCc3c(cnn3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000515063309 467971783 /nfs/dbraw/zinc/97/17/83/467971783.db2.gz RMXZBPFKFZMFIB-UHFFFAOYSA-N -1 0 330.344 2.288 20 5 EEBDRM CC(C)c1csc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])n1 ZINC000532167595 468101782 /nfs/dbraw/zinc/10/17/82/468101782.db2.gz JQECUZDZGGNOBF-UHFFFAOYSA-N -1 0 342.402 2.048 20 5 EEBDRM COc1cccc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1OC ZINC000532278218 468107743 /nfs/dbraw/zinc/10/77/43/468107743.db2.gz DYBNVHOFXZCFDY-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM COCCC1(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CCCC1 ZINC000577614920 468188890 /nfs/dbraw/zinc/18/88/90/468188890.db2.gz YPGIQYZHTBEQCV-UHFFFAOYSA-N -1 0 337.376 3.005 20 5 EEBDRM CO[C@@](C)(CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC000582493192 468549448 /nfs/dbraw/zinc/54/94/48/468549448.db2.gz ZOCGMVKQXGTBFD-KRWDZBQOSA-N -1 0 345.355 2.970 20 5 EEBDRM CCCCN(CC)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582609125 468565890 /nfs/dbraw/zinc/56/58/90/468565890.db2.gz NZBOUBRRVOYRJD-UHFFFAOYSA-N -1 0 330.362 2.104 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600708709 468627907 /nfs/dbraw/zinc/62/79/07/468627907.db2.gz MQBCFRITYWKSGO-CQSZACIVSA-N -1 0 341.751 2.126 20 5 EEBDRM Cc1n[nH]c(C)c1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597736812 468656312 /nfs/dbraw/zinc/65/63/12/468656312.db2.gz OEBBCSJJIIXGOO-UHFFFAOYSA-N -1 0 338.751 2.266 20 5 EEBDRM CC(C)(CO)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000597844428 468689948 /nfs/dbraw/zinc/68/99/48/468689948.db2.gz DVRGEOPNWBKIAS-OAHLLOKOSA-N -1 0 345.355 2.185 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H](CCO)C1 ZINC000592777808 468783087 /nfs/dbraw/zinc/78/30/87/468783087.db2.gz YLLXVXBIWABCNO-SECBINFHSA-N -1 0 328.752 2.188 20 5 EEBDRM COc1cc(C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000595248738 468792872 /nfs/dbraw/zinc/79/28/72/468792872.db2.gz CFWBPKBKGDJWPV-BBRMVZONSA-N -1 0 336.344 2.285 20 5 EEBDRM O=C(NC[C@@H](CO)CC1CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000598291458 468822688 /nfs/dbraw/zinc/82/26/88/468822688.db2.gz AVSKFANTVMRVDO-VIFPVBQESA-N -1 0 328.752 2.092 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]1(C)CO ZINC000598444539 468868194 /nfs/dbraw/zinc/86/81/94/468868194.db2.gz BCHPWFAILNMYAN-CLAHSXSESA-N -1 0 328.752 2.044 20 5 EEBDRM Cc1cc(N(C)Cc2ccc(OCC(=O)[O-])cc2)ncc1[N+](=O)[O-] ZINC000584842714 468948294 /nfs/dbraw/zinc/94/82/94/468948294.db2.gz DSYLWWKXURVCKX-UHFFFAOYSA-N -1 0 331.328 2.398 20 5 EEBDRM COc1ccc(CC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598659174 468949646 /nfs/dbraw/zinc/94/96/46/468949646.db2.gz QQSIWDWAEWDJHJ-LBPRGKRZSA-N -1 0 336.344 2.002 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[n-]1 ZINC000585682209 469013855 /nfs/dbraw/zinc/01/38/55/469013855.db2.gz NBOKZWNGSRIUKA-UHFFFAOYSA-N -1 0 343.299 2.228 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000610845393 469086883 /nfs/dbraw/zinc/08/68/83/469086883.db2.gz DWHCOSOTWKHMIM-CQSZACIVSA-N -1 0 337.376 2.402 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000610845398 469087141 /nfs/dbraw/zinc/08/71/41/469087141.db2.gz FHOZXWNAZOGWPB-CYBMUJFWSA-N -1 0 346.343 2.010 20 5 EEBDRM CCOC(=O)c1cc(N2C[C@@H](C(=O)[O-])CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000595973245 469103361 /nfs/dbraw/zinc/10/33/61/469103361.db2.gz IKNXTEXOAUQPEE-QWRGUYRKSA-N -1 0 336.344 2.461 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](O)C1 ZINC000595979127 469104592 /nfs/dbraw/zinc/10/45/92/469104592.db2.gz REZUAVBAWSBOIR-OIVXANJASA-N -1 0 334.250 2.250 20 5 EEBDRM Cc1ccc(NCCCNC(=O)C2(C(=O)[O-])CC=CC2)c([N+](=O)[O-])c1 ZINC000595988066 469107733 /nfs/dbraw/zinc/10/77/33/469107733.db2.gz DAHYGZVRMJRVSL-UHFFFAOYSA-N -1 0 347.371 2.242 20 5 EEBDRM CO[C@@H]1C[C@H](CC(=O)[O-])N(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000563213502 469200279 /nfs/dbraw/zinc/20/02/79/469200279.db2.gz ZPOZRIWTRNEIQU-GHMZBOCLSA-N -1 0 331.328 2.211 20 5 EEBDRM CC(C)c1noc(CCCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000563208324 469200433 /nfs/dbraw/zinc/20/04/33/469200433.db2.gz XETWDXCSBUCUKK-UHFFFAOYSA-N -1 0 335.320 2.239 20 5 EEBDRM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000611508696 469267381 /nfs/dbraw/zinc/26/73/81/469267381.db2.gz OKXIZVNNPVCBGC-FZMZJTMJSA-N -1 0 330.340 2.195 20 5 EEBDRM CC(C)C[C@H](CNc1ccc([N+](=O)[O-])c(OC(C)C)n1)C(=O)[O-] ZINC000565315842 469271416 /nfs/dbraw/zinc/27/14/16/469271416.db2.gz ZSRFMJCRFHXWEB-LLVKDONJSA-N -1 0 325.365 2.936 20 5 EEBDRM O=C(N[C@H]1COc2cc(F)cc(F)c21)c1cccc([N+](=O)[O-])c1[O-] ZINC000612386484 469452225 /nfs/dbraw/zinc/45/22/25/469452225.db2.gz IUQDRKCGHSYBAW-JTQLQIEISA-N -1 0 336.250 2.442 20 5 EEBDRM CCOc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000604497986 469483377 /nfs/dbraw/zinc/48/33/77/469483377.db2.gz JMFBMHNOUNUUIN-GFCCVEGCSA-N -1 0 336.344 2.463 20 5 EEBDRM Cc1ccc2c(c1)N(S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC2 ZINC000604502081 469484042 /nfs/dbraw/zinc/48/40/42/469484042.db2.gz VNNWQSJNRSTVCJ-UHFFFAOYSA-N -1 0 334.353 2.360 20 5 EEBDRM O=C([O-])CCSCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000739746044 576746195 /nfs/dbraw/zinc/74/61/95/576746195.db2.gz YOVWQPWDLQKSES-UHFFFAOYSA-N -1 0 338.341 2.279 20 5 EEBDRM COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000775670177 577442341 /nfs/dbraw/zinc/44/23/41/577442341.db2.gz UZVLPMJOFOIPNJ-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000769062695 577568446 /nfs/dbraw/zinc/56/84/46/577568446.db2.gz JBQCWQFFGPZYPO-UHFFFAOYSA-N -1 0 347.283 2.017 20 5 EEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CC12CCC2 ZINC000759829840 577651448 /nfs/dbraw/zinc/65/14/48/577651448.db2.gz UONJYMYVGGBQHN-QMMMGPOBSA-N -1 0 344.776 2.243 20 5 EEBDRM O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000759939980 577654368 /nfs/dbraw/zinc/65/43/68/577654368.db2.gz MXKVKBYPNOLNAF-MNOVXSKESA-N -1 0 349.303 2.368 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[n-]1 ZINC000752978495 577779419 /nfs/dbraw/zinc/77/94/19/577779419.db2.gz YQLJDFDJOMSDPR-UHFFFAOYSA-N -1 0 340.242 2.025 20 5 EEBDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)CCCF)cc1[N+](=O)[O-] ZINC000747131222 577939683 /nfs/dbraw/zinc/93/96/83/577939683.db2.gz UBEBASFSRFJPFI-UHFFFAOYSA-N -1 0 346.380 2.312 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1CC12CCCC2 ZINC000747478905 577945238 /nfs/dbraw/zinc/94/52/38/577945238.db2.gz IDNCWVCYKTVULL-GFCCVEGCSA-N -1 0 338.385 2.288 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000739371402 578050721 /nfs/dbraw/zinc/05/07/21/578050721.db2.gz LPJUESKNYACYHL-LBPRGKRZSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)Cc1cccc(F)c1 ZINC000739402205 578052187 /nfs/dbraw/zinc/05/21/87/578052187.db2.gz FPUSGUZBTDXZEU-JTQLQIEISA-N -1 0 336.275 2.000 20 5 EEBDRM O=C([O-])c1ccccc1S(=O)(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000740242814 578087127 /nfs/dbraw/zinc/08/71/27/578087127.db2.gz VDEBZLWGPGVNHW-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM CC1=C(C(=O)[O-])[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])NC(=S)N1 ZINC000736748686 578221693 /nfs/dbraw/zinc/22/16/93/578221693.db2.gz YYCRTAHCZAXJNX-SNVBAGLBSA-N -1 0 327.749 2.126 20 5 EEBDRM C[C@@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)N1CCC(C)CC1 ZINC000736791491 578223845 /nfs/dbraw/zinc/22/38/45/578223845.db2.gz OBZHZSWIGMNDPY-LLVKDONJSA-N -1 0 336.344 2.319 20 5 EEBDRM CCOc1ccc(C[C@H](CNc2ccncc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737205502 578243704 /nfs/dbraw/zinc/24/37/04/578243704.db2.gz KDYRAHRTJFRSIQ-CYBMUJFWSA-N -1 0 345.355 2.166 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000737868405 578271580 /nfs/dbraw/zinc/27/15/80/578271580.db2.gz SFCMGMCVOUBXOP-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C(=O)[O-])cc1 ZINC000818490978 597140091 /nfs/dbraw/zinc/14/00/91/597140091.db2.gz MNLCUNIQGLANPC-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccn1 ZINC000833126822 600916660 /nfs/dbraw/zinc/91/66/60/600916660.db2.gz RAGXBPZNZCZGAF-AWEZNQCLSA-N -1 0 340.295 2.027 20 5 EEBDRM CCC(=O)N1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000828562438 601545570 /nfs/dbraw/zinc/54/55/70/601545570.db2.gz PJXTWYRZVJFHBL-UHFFFAOYSA-N -1 0 335.360 2.050 20 5 EEBDRM CC[C@H]1CCC[C@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000829118537 601688372 /nfs/dbraw/zinc/68/83/72/601688372.db2.gz JEEUZUHTZYPWOE-CMPLNLGQSA-N -1 0 335.360 2.400 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000833119088 601742369 /nfs/dbraw/zinc/74/23/69/601742369.db2.gz WSIDZSBOZWFWMX-HNNXBMFYSA-N -1 0 332.287 2.219 20 5 EEBDRM Cc1cccc(OS(=O)(=O)c2ccsc2C(=O)[O-])c1[N+](=O)[O-] ZINC000833753471 604530211 /nfs/dbraw/zinc/53/02/11/604530211.db2.gz OGMTUTRCWMTGAJ-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM CC(C)COC[C@H](O)COc1c(C(=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC000833487867 604536435 /nfs/dbraw/zinc/53/64/35/604536435.db2.gz JGDNPAMREWTWPG-JTQLQIEISA-N -1 0 347.751 2.359 20 5 EEBDRM CCCCC[C@@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C(=O)[O-] ZINC000829340486 604933430 /nfs/dbraw/zinc/93/34/30/604933430.db2.gz QGQGKRIIBJFLFE-SECBINFHSA-N -1 0 326.353 2.205 20 5 EEBDRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1[N+](=O)[O-] ZINC000833520488 605052395 /nfs/dbraw/zinc/05/23/95/605052395.db2.gz CZZNOEKFVGJGMV-SECBINFHSA-N -1 0 333.300 2.446 20 5 EEBDRM O=C([O-])Cc1csc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000212727238 683588665 /nfs/dbraw/zinc/58/86/65/683588665.db2.gz QUNCACBRCPQVOU-UTCJRWHESA-N -1 0 333.325 2.330 20 5 EEBDRM CN(CCCNC(=O)CCCC1CC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001095701854 1205918828 /nfs/dbraw/zinc/91/88/28/1205918828.db2.gz ZIWICTILJGGJBA-UHFFFAOYSA-N -1 0 336.392 2.218 20 5 EEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)nc1 ZINC000158910373 1208422612 /nfs/dbraw/zinc/42/26/12/1208422612.db2.gz CHXYKEJHXNMXDH-UHFFFAOYSA-N -1 0 343.748 2.458 20 5 EEBDRM Cc1csc(C(=O)N(C)CCNc2cc[nH]c(=O)c2[N+](=O)[O-])c1 ZINC001101592835 1246000180 /nfs/dbraw/zinc/00/01/80/1246000180.db2.gz QVXMGCSMQQTSSQ-UHFFFAOYSA-N -1 0 336.373 2.249 20 5 EEBDRM CCOC(=O)c1nonc1[N-]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001211292085 1295802286 /nfs/dbraw/zinc/80/22/86/1295802286.db2.gz HZYINWJXHPEDOR-UHFFFAOYSA-N -1 0 337.248 2.115 20 5 EEBDRM CCN(CC)C(=O)[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccccc1 ZINC001226331753 1301361988 /nfs/dbraw/zinc/36/19/88/1301361988.db2.gz ONSCPPQESHVNLS-ZDUSSCGKSA-N -1 0 346.343 2.079 20 5 EEBDRM CCC[C@H](C)[C@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226650091 1301494112 /nfs/dbraw/zinc/49/41/12/1301494112.db2.gz PFLQCJREBFCVOP-IUCAKERBSA-N -1 0 327.337 2.471 20 5 EEBDRM CCC[C@H](Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-])[C@@H](C)CC ZINC001226651971 1301495074 /nfs/dbraw/zinc/49/50/74/1301495074.db2.gz KUEWFLCZKHPBAF-IUCAKERBSA-N -1 0 327.337 2.471 20 5 EEBDRM O=c1nc2ncsc2c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[n-]1 ZINC001227607493 1301907277 /nfs/dbraw/zinc/90/72/77/1301907277.db2.gz JVFVZEMXVYCIRM-SNVBAGLBSA-N -1 0 330.325 2.246 20 5 EEBDRM CCOC(=O)N1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227744588 1301950489 /nfs/dbraw/zinc/95/04/89/1301950489.db2.gz GUPLDWKIUNOUIC-NSHDSACASA-N -1 0 334.332 2.471 20 5 EEBDRM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])C2 ZINC001228968824 1302550380 /nfs/dbraw/zinc/55/03/80/1302550380.db2.gz QULUVJACPHJMRA-GFCCVEGCSA-N -1 0 332.268 2.460 20 5 EEBDRM O=C(N[C@@H](CCO)Cc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000799811431 1305450244 /nfs/dbraw/zinc/45/02/44/1305450244.db2.gz UNRQNFZBUORENU-AWEZNQCLSA-N -1 0 330.340 2.024 20 5 EEBDRM O=C(N[C@@H](CCO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000799814204 1305452679 /nfs/dbraw/zinc/45/26/79/1305452679.db2.gz KFDKUCOGHWCVRK-ZDUSSCGKSA-N -1 0 330.340 2.024 20 5 EEBDRM O=C(NC[C@H]1CCCN1CC(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000830947494 1314560066 /nfs/dbraw/zinc/56/00/66/1314560066.db2.gz CDOUXAHVRIONIM-SNVBAGLBSA-N -1 0 347.293 2.057 20 5 EEBDRM O=C([N-]S(=O)(=O)CCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000835945846 1314962883 /nfs/dbraw/zinc/96/28/83/1314962883.db2.gz RMUJCDUFTNBANJ-UHFFFAOYSA-N -1 0 326.374 2.235 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)C[C@H](C)C(=O)[O-] ZINC000841511317 1315568340 /nfs/dbraw/zinc/56/83/40/1315568340.db2.gz XKOPRDFPHKREMX-ZETCQYMHSA-N -1 0 330.724 2.192 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C=C2CCCC2)cccc1[N+](=O)[O-] ZINC000842404940 1315698488 /nfs/dbraw/zinc/69/84/88/1315698488.db2.gz CJQQKMKDEQCPIX-UHFFFAOYSA-N -1 0 338.385 2.350 20 5 EEBDRM Cc1c(OS(=O)(=O)C2CCC(C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC001600056304 1349963190 /nfs/dbraw/zinc/96/31/90/1349963190.db2.gz ABDVSKBRKOQYHZ-UHFFFAOYSA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1cc(C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)ccc1[N+](=O)[O-] ZINC001600086619 1349968236 /nfs/dbraw/zinc/96/82/36/1349968236.db2.gz JERNNDUGMMUKOU-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM Nc1nc(CCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cs1 ZINC001601220881 1350234938 /nfs/dbraw/zinc/23/49/38/1350234938.db2.gz YTAVBSMSPFXKTO-RQOWECAXSA-N -1 0 334.357 2.386 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001601813654 1350370532 /nfs/dbraw/zinc/37/05/32/1350370532.db2.gz BYBARLVOWXSCHC-VXGBXAGGSA-N -1 0 347.320 2.086 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC001601821362 1350372446 /nfs/dbraw/zinc/37/24/46/1350372446.db2.gz OAHIXTNNGQRSCY-RRFJBIMHSA-N -1 0 332.356 2.239 20 5 EEBDRM O=C([O-])c1ccc(Cn2cc([N+](=O)[O-])ccc2=O)c2ncccc12 ZINC001602361011 1350503903 /nfs/dbraw/zinc/50/39/03/1350503903.db2.gz WQCLZXNLEVFSIW-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM O=C([O-])c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)c(F)c1 ZINC001602362233 1350503923 /nfs/dbraw/zinc/50/39/23/1350503923.db2.gz VTJNDGZNCUKJSQ-UHFFFAOYSA-N -1 0 344.096 2.439 20 5 EEBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]Cc1cccc(Cl)c1F ZINC001309250589 1331623017 /nfs/dbraw/zinc/62/30/17/1331623017.db2.gz QZDIBMVOIXPRTB-UHFFFAOYSA-N -1 0 345.739 2.261 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2ccccc2OC2CC2)c1 ZINC001608862734 1351780920 /nfs/dbraw/zinc/78/09/20/1351780920.db2.gz BTPJPCKIHCRKOK-UHFFFAOYSA-N -1 0 330.296 2.044 20 5 EEBDRM O=C([O-])c1cccc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)n1 ZINC001608933640 1351797745 /nfs/dbraw/zinc/79/77/45/1351797745.db2.gz VCGCAAKBMXECNF-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001608988509 1351808718 /nfs/dbraw/zinc/80/87/18/1351808718.db2.gz LNMLMXOTSFEHDS-KGLIPLIRSA-N -1 0 330.296 2.306 20 5 EEBDRM O=C([O-])c1sccc1S(=O)(=O)Oc1ccccc1[N+](=O)[O-] ZINC001609010429 1351813641 /nfs/dbraw/zinc/81/36/41/1351813641.db2.gz PGNCVKRYHDOIQF-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001609025766 1351818081 /nfs/dbraw/zinc/81/80/81/1351818081.db2.gz UPMOWGNRISUCBG-BDAKNGLRSA-N -1 0 334.284 2.280 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])c1ncoc1[C@H]1CCCO1 ZINC001328187643 1334411750 /nfs/dbraw/zinc/41/17/50/1334411750.db2.gz POIFYAGMMONFML-GFCCVEGCSA-N -1 0 334.284 2.497 20 5 EEBDRM C[C@@H](C(=O)NC1(C(=O)[O-])CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC001609634286 1352046767 /nfs/dbraw/zinc/04/67/67/1352046767.db2.gz CQGQZVNEHZFAMB-SNVBAGLBSA-N -1 0 338.385 2.165 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(N2CCNC2=O)c1 ZINC001337090520 1336642723 /nfs/dbraw/zinc/64/27/23/1336642723.db2.gz KIGMFOPMWOOGDE-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001609848118 1352100437 /nfs/dbraw/zinc/10/04/37/1352100437.db2.gz SETVLKUMCGJTMR-UWVGGRQHSA-N -1 0 342.373 2.008 20 5 EEBDRM Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCC[C@@H](CF)C1 ZINC001350952426 1337775889 /nfs/dbraw/zinc/77/58/89/1337775889.db2.gz UCKWLCAZHQIWLG-JTQLQIEISA-N -1 0 335.339 2.282 20 5 EEBDRM CN(C)C(=O)c1cccc(Oc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001610096595 1352161117 /nfs/dbraw/zinc/16/11/17/1352161117.db2.gz IXUYCSCEPFMZDK-UHFFFAOYSA-N -1 0 331.284 2.182 20 5 EEBDRM O=C(CC1CCCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892752 1338365828 /nfs/dbraw/zinc/36/58/28/1338365828.db2.gz ITWGRGJRQKXGNY-UHFFFAOYSA-N -1 0 341.389 2.155 20 5 EEBDRM Cc1c(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC001610406458 1352217909 /nfs/dbraw/zinc/21/79/09/1352217909.db2.gz KUDRKIGZWBRJJS-AWEZNQCLSA-N -1 0 330.296 2.165 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@@H]21 ZINC001610803803 1352277669 /nfs/dbraw/zinc/27/76/69/1352277669.db2.gz MCXRGDBPKVQLLS-IAZYJMLFSA-N -1 0 330.262 2.376 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2cc(-c3ccccc3)on2)c1=O ZINC001610817089 1352279664 /nfs/dbraw/zinc/27/96/64/1352279664.db2.gz BMARWZFAIQOOQG-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001595849138 1349897080 /nfs/dbraw/zinc/89/70/80/1349897080.db2.gz ZPYZPWDUAZDOAB-UHFFFAOYSA-N -1 0 331.328 2.267 20 5 EEBDRM Cc1c(NC(=O)N[C@@](C)(CO)C(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039846 1349960257 /nfs/dbraw/zinc/96/02/57/1349960257.db2.gz JHYLVWAMMHHQHX-HNNXBMFYSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1c(NC(=O)NCC[C@H](O)C(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043181 1349961023 /nfs/dbraw/zinc/96/10/23/1349961023.db2.gz PQXJOWAGMXSJPD-ZDUSSCGKSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1cc(Cl)c(C(=O)Nc2ccnc(C(=O)[O-])n2)cc1[N+](=O)[O-] ZINC001600217242 1349995216 /nfs/dbraw/zinc/99/52/16/1349995216.db2.gz YLVJFUMWKSUNOQ-UHFFFAOYSA-N -1 0 336.691 2.297 20 5 EEBDRM Cc1cc(N2C[C@@H](F)C[C@H]2C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001600243009 1350000445 /nfs/dbraw/zinc/00/04/45/1350000445.db2.gz FKVHZQRVEXUDLS-AAEUAGOBSA-N -1 0 346.318 2.362 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])c(C)o1 ZINC001600300905 1350014694 /nfs/dbraw/zinc/01/46/94/1350014694.db2.gz OBAAKQKSKIJXCT-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC001600304338 1350015592 /nfs/dbraw/zinc/01/55/92/1350015592.db2.gz NKNYIVMMVGGYAL-CYBMUJFWSA-N -1 0 347.302 2.036 20 5 EEBDRM Cc1cc([N+](=O)[O-])cn(Cc2ccc(C3(C(=O)[O-])CC3)cc2)c1=O ZINC001600307709 1350016589 /nfs/dbraw/zinc/01/65/89/1350016589.db2.gz WUDNIGIVEICYEO-UHFFFAOYSA-N -1 0 328.324 2.229 20 5 EEBDRM Cc1ccc(OC[C@H](O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001600468577 1350059085 /nfs/dbraw/zinc/05/90/85/1350059085.db2.gz KZWYUAKGWPEGOH-ZDUSSCGKSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ccc2sc(Cn3cc(C(=O)[O-])cc([N+](=O)[O-])c3=O)nc2c1 ZINC001600505611 1350068896 /nfs/dbraw/zinc/06/88/96/1350068896.db2.gz VITMGFMNKSDLCB-UHFFFAOYSA-N -1 0 345.336 2.421 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)n1C ZINC001600718743 1350120491 /nfs/dbraw/zinc/12/04/91/1350120491.db2.gz XXXRWMUSYAWDMJ-DTWKUNHWSA-N -1 0 335.320 2.045 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(Br)n1Cc1occc1C(=O)[O-] ZINC001600720177 1350120755 /nfs/dbraw/zinc/12/07/55/1350120755.db2.gz HXSKCKOEKLUELZ-UHFFFAOYSA-N -1 0 330.094 2.202 20 5 EEBDRM Cc1nn(C)c(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1C(=O)[O-] ZINC001600773415 1350132895 /nfs/dbraw/zinc/13/28/95/1350132895.db2.gz SJEJLMXUSHXVQT-NEPJUHHUSA-N -1 0 344.327 2.077 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(NCc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC001600971322 1350179593 /nfs/dbraw/zinc/17/95/93/1350179593.db2.gz YLPJLXJZALRJSE-UHFFFAOYSA-N -1 0 334.332 2.184 20 5 EEBDRM Nc1c(Cl)cc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001601211789 1350232396 /nfs/dbraw/zinc/23/23/96/1350232396.db2.gz WJHYGCNTJTYDOJ-VIFPVBQESA-N -1 0 341.751 2.061 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC001601217294 1350234031 /nfs/dbraw/zinc/23/40/31/1350234031.db2.gz HVVXXDOAZWQGCU-ZDUSSCGKSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC001601342026 1350261762 /nfs/dbraw/zinc/26/17/62/1350261762.db2.gz XNRMNADLXJATPV-UHFFFAOYSA-N -1 0 343.291 2.490 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001601344658 1350262415 /nfs/dbraw/zinc/26/24/15/1350262415.db2.gz QONAVJIEXKTKSQ-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC001601360747 1350266492 /nfs/dbraw/zinc/26/64/92/1350266492.db2.gz DXGMETPBUSRVGU-HNNXBMFYSA-N -1 0 338.335 2.426 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC001601368968 1350268159 /nfs/dbraw/zinc/26/81/59/1350268159.db2.gz XFRQYVPPEOCATB-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])C1=CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC001601735155 1350351624 /nfs/dbraw/zinc/35/16/24/1350351624.db2.gz QCRNHMPGJVJQHN-CYBMUJFWSA-N -1 0 345.355 2.442 20 5 EEBDRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001602107726 1350439708 /nfs/dbraw/zinc/43/97/08/1350439708.db2.gz YGMHOEHJWNAMBH-GXFFZTMASA-N -1 0 338.335 2.426 20 5 EEBDRM O=C([O-])c1c(Cl)c(N[C@H]2CC(=O)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC001602231747 1350471867 /nfs/dbraw/zinc/47/18/67/1350471867.db2.gz AHUCGBKTGBQPKO-ZETCQYMHSA-N -1 0 339.735 2.122 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cnn(CC3CC3)c2)cc([N+](=O)[O-])c1 ZINC001602285897 1350486110 /nfs/dbraw/zinc/48/61/10/1350486110.db2.gz ALUYJZNXRIOUAO-UHFFFAOYSA-N -1 0 330.300 2.152 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](O)c1ccccn1 ZINC001602298389 1350487824 /nfs/dbraw/zinc/48/78/24/1350487824.db2.gz DXGIBLJMIVMRKL-GFCCVEGCSA-N -1 0 337.719 2.487 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC[C@H]1CCOC1 ZINC001602300120 1350488210 /nfs/dbraw/zinc/48/82/10/1350488210.db2.gz QWKNVGIPASLULB-QMMMGPOBSA-N -1 0 325.277 2.040 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(CCCOCc2ccccc2)c1=O ZINC001602300200 1350488321 /nfs/dbraw/zinc/48/83/21/1350488321.db2.gz BLGRXIQMCQUKQQ-UHFFFAOYSA-N -1 0 332.312 2.062 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2coc(-c3cccs3)n2)c1=O ZINC001602301000 1350488757 /nfs/dbraw/zinc/48/87/57/1350488757.db2.gz CSMUFROHIFTQLQ-UHFFFAOYSA-N -1 0 347.308 2.220 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@H](CO)c2ccc(F)cc2)c1 ZINC001602403650 1350511428 /nfs/dbraw/zinc/51/14/28/1350511428.db2.gz KZZCCIOJUOVUKX-CQSZACIVSA-N -1 0 334.303 2.255 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2OCCc3ccccc32)n1 ZINC001602404812 1350511987 /nfs/dbraw/zinc/51/19/87/1350511987.db2.gz AYUVYGYGFQARRA-AWEZNQCLSA-N -1 0 329.312 2.414 20 5 EEBDRM O=C([O-])c1cccc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)n1 ZINC001602431008 1350518212 /nfs/dbraw/zinc/51/82/12/1350518212.db2.gz VWCGJGLEQJEKQO-UHFFFAOYSA-N -1 0 342.267 2.317 20 5 EEBDRM O=C([O-])c1cccc(OS(=O)(=O)CCCC2CC2)c1[N+](=O)[O-] ZINC001602452566 1350522370 /nfs/dbraw/zinc/52/23/70/1350522370.db2.gz QQLNPINSHADAKS-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM O=C([O-])c1cnc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC001602528171 1350539487 /nfs/dbraw/zinc/53/94/87/1350539487.db2.gz JYYAVNVQONIOHO-NXEZZACHSA-N -1 0 333.325 2.492 20 5 EEBDRM O=C([O-])c1nn(Cc2coc(-c3cccc(F)c3)n2)cc1[N+](=O)[O-] ZINC001602585984 1350551812 /nfs/dbraw/zinc/55/18/12/1350551812.db2.gz DBTLTCHSTSQVNG-UHFFFAOYSA-N -1 0 332.247 2.332 20 5 EEBDRM CC(=O)N1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001603017136 1350622244 /nfs/dbraw/zinc/62/22/44/1350622244.db2.gz STLKTKLMBARHRM-VIFPVBQESA-N -1 0 341.751 2.227 20 5 EEBDRM C[C@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001603154330 1350651255 /nfs/dbraw/zinc/65/12/55/1350651255.db2.gz BXDHBHCZZBWKGH-WKEGUHRASA-N -1 0 334.250 2.062 20 5 EEBDRM C[C@@H](C(=O)OCC(=O)C(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001603220550 1350664156 /nfs/dbraw/zinc/66/41/56/1350664156.db2.gz HESFQFHAZCYEMR-MRVPVSSYSA-N -1 0 341.291 2.061 20 5 EEBDRM C[C@H](C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001603226875 1350665384 /nfs/dbraw/zinc/66/53/84/1350665384.db2.gz WQZOVSVMHVYXEH-MRVPVSSYSA-N -1 0 339.300 2.176 20 5 EEBDRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])nn1)c1ccc([N+](=O)[O-])cc1F ZINC001603239003 1350667943 /nfs/dbraw/zinc/66/79/43/1350667943.db2.gz DSUVXDUUWGLTLL-UHFFFAOYSA-N -1 0 348.290 2.138 20 5 EEBDRM CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)[O-] ZINC001603638850 1350732744 /nfs/dbraw/zinc/73/27/44/1350732744.db2.gz FGDFNVGWSJEZKU-UHFFFAOYSA-N -1 0 334.250 2.454 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001603950911 1350812754 /nfs/dbraw/zinc/81/27/54/1350812754.db2.gz CBYBMRXPLUPVDF-NHYWBVRUSA-N -1 0 338.360 2.056 20 5 EEBDRM C[C@H](Cc1cccnc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001604234132 1350900034 /nfs/dbraw/zinc/90/00/34/1350900034.db2.gz LKPUTCXZABZNQL-SNVBAGLBSA-N -1 0 329.312 2.049 20 5 EEBDRM COC(=O)[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1C ZINC001606506769 1351313552 /nfs/dbraw/zinc/31/35/52/1351313552.db2.gz KGAVGYLMNZRWRT-WDEREUQCSA-N -1 0 336.344 2.237 20 5 EEBDRM COC(=O)c1c(Cl)c(N2C[C@@H](F)C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606526990 1351316690 /nfs/dbraw/zinc/31/66/90/1351316690.db2.gz AAYNGHSXIVPBML-RCOVLWMOSA-N -1 0 346.698 2.036 20 5 EEBDRM COc1cc(OC[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC001607187989 1351445584 /nfs/dbraw/zinc/44/55/84/1351445584.db2.gz KSRDCBRUNRXNFD-CQSZACIVSA-N -1 0 333.296 2.414 20 5 EEBDRM COc1ccc(OCCn2cc(C(=O)[O-])nc2C2CC2)c([N+](=O)[O-])c1 ZINC001607282434 1351464660 /nfs/dbraw/zinc/46/46/60/1351464660.db2.gz XUYKMNQBUDJQMA-UHFFFAOYSA-N -1 0 347.327 2.455 20 5 EEBDRM C[C@@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1ccccc1[N+](=O)[O-] ZINC001607420996 1351491750 /nfs/dbraw/zinc/49/17/50/1351491750.db2.gz MVNNGUAPYFSSTD-SECBINFHSA-N -1 0 333.300 2.446 20 5 EEBDRM Cc1c(NCC(=O)N2CCC(C)CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607549676 1351514635 /nfs/dbraw/zinc/51/46/35/1351514635.db2.gz ULUGAJQGVOAUHE-UHFFFAOYSA-N -1 0 335.360 2.272 20 5 EEBDRM Cc1c(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)cccc1[N+](=O)[O-] ZINC001607552878 1351514651 /nfs/dbraw/zinc/51/46/51/1351514651.db2.gz QTDWBMGMMZSRDA-UHFFFAOYSA-N -1 0 342.373 2.290 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)c2cncc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001607752243 1351551877 /nfs/dbraw/zinc/55/18/77/1351551877.db2.gz WDJSTOPTQXURLR-SNVBAGLBSA-N -1 0 329.312 2.487 20 5 EEBDRM O=C([O-])c1occc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001608311344 1351668817 /nfs/dbraw/zinc/66/88/17/1351668817.db2.gz HRPCOXNFDKTTRQ-UHFFFAOYSA-N -1 0 333.300 2.004 20 5 EEBDRM CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606262200 1404778555 /nfs/dbraw/zinc/77/85/55/1404778555.db2.gz RIDXNCWLBHJORO-GMSGAONNSA-N -1 0 341.751 2.273 20 5 EEBDRM Cc1ccccc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160858 775433922 /nfs/dbraw/zinc/43/39/22/775433922.db2.gz HBKIQCOKCMIIEF-UHFFFAOYSA-N -1 0 326.355 2.083 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000846706032 790452964 /nfs/dbraw/zinc/45/29/64/790452964.db2.gz VRMUSJCITDDECH-DTWKUNHWSA-N -1 0 326.736 2.365 20 5 EEBDRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000816334426 783905324 /nfs/dbraw/zinc/90/53/24/783905324.db2.gz YJBXKRJBCHJBIE-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000819953017 785739438 /nfs/dbraw/zinc/73/94/38/785739438.db2.gz IDJYEZLXYCAYAR-NOZJJQNGSA-N -1 0 344.364 2.365 20 5 EEBDRM O=[N+]([O-])c1ccccc1CCNc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000823648631 787851226 /nfs/dbraw/zinc/85/12/26/787851226.db2.gz ZQJLTNJGYHEPFO-UHFFFAOYSA-N -1 0 345.750 2.478 20 5 EEBDRM Cc1noc(C2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)n1 ZINC000844207252 788926701 /nfs/dbraw/zinc/92/67/01/788926701.db2.gz FAUDIJYFAXEBFA-UHFFFAOYSA-N -1 0 346.343 2.297 20 5 EEBDRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000845494896 789815076 /nfs/dbraw/zinc/81/50/76/789815076.db2.gz NHBDMXAGUYYPSM-UHFFFAOYSA-N -1 0 342.417 2.410 20 5 EEBDRM O=C(COc1ccccc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000059354258 790161264 /nfs/dbraw/zinc/16/12/64/790161264.db2.gz OHGCIDVRXZZFGP-UHFFFAOYSA-N -1 0 333.256 2.226 20 5 EEBDRM O=C([O-])c1ccc(Nc2cc3n(n2)CC2(CC2)CO3)cc1[N+](=O)[O-] ZINC001174504205 797785024 /nfs/dbraw/zinc/78/50/24/797785024.db2.gz YCJJPKFCZGJISK-UHFFFAOYSA-N -1 0 330.300 2.406 20 5 EEBDRM COc1ccc2nccc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c2n1 ZINC001174503935 797785053 /nfs/dbraw/zinc/78/50/53/797785053.db2.gz PEOATJKZYPVNKF-UHFFFAOYSA-N -1 0 340.295 2.410 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc(N3CCOCC3)nc2)cc([N+](=O)[O-])c1 ZINC001176674656 798523531 /nfs/dbraw/zinc/52/35/31/798523531.db2.gz NWCGHHNKBJJNOJ-UHFFFAOYSA-N -1 0 344.327 2.268 20 5 EEBDRM COC(=O)c1ccc(OC)nc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678503 798525471 /nfs/dbraw/zinc/52/54/71/798525471.db2.gz QSTQKWJWAAASCN-UHFFFAOYSA-N -1 0 347.283 2.227 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCN(CC(F)F)C1 ZINC000867004470 803925311 /nfs/dbraw/zinc/92/53/11/803925311.db2.gz RXKOGDQRQBKNAW-SECBINFHSA-N -1 0 329.303 2.216 20 5 EEBDRM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000808337369 812604490 /nfs/dbraw/zinc/60/44/90/812604490.db2.gz HIFQMKOOEBMEBQ-OQPBUACISA-N -1 0 340.382 2.457 20 5 EEBDRM CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C(=O)[O-] ZINC001602991853 972019851 /nfs/dbraw/zinc/01/98/51/972019851.db2.gz TXTGIYCDFHBQGN-CYBMUJFWSA-N -1 0 335.360 2.256 20 5 EEBDRM CC[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001589552407 955226388 /nfs/dbraw/zinc/22/63/88/955226388.db2.gz RUXYRXPRJJNGMQ-RISCZKNCSA-N -1 0 332.360 2.118 20 5 EEBDRM COC(=O)c1cc(C)nc(NCc2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC001593868992 955610830 /nfs/dbraw/zinc/61/08/30/955610830.db2.gz INPJWQDLMAYSJW-UHFFFAOYSA-N -1 0 345.311 2.395 20 5 EEBDRM C[C@](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)(C(=O)[O-])c1ccccc1 ZINC001589072195 955782917 /nfs/dbraw/zinc/78/29/17/955782917.db2.gz PHKYMEVARSIXFV-QGZVFWFLSA-N -1 0 343.339 2.148 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(C(=O)[O-])CCC1 ZINC000852948226 955866161 /nfs/dbraw/zinc/86/61/61/955866161.db2.gz YQWLPCLELJERER-UHFFFAOYSA-N -1 0 326.736 2.462 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001594731265 957041968 /nfs/dbraw/zinc/04/19/68/957041968.db2.gz PRCINIYEYLJHFH-YPMHNXCESA-N -1 0 333.344 2.152 20 5 EEBDRM Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594433380 959196462 /nfs/dbraw/zinc/19/64/62/959196462.db2.gz GQJBJUJUXQHOEI-JTQLQIEISA-N -1 0 338.364 2.121 20 5 EEBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC(C)(C)C(=O)[O-] ZINC001594252702 959625737 /nfs/dbraw/zinc/62/57/37/959625737.db2.gz YFZJWOTZPSHMRM-UHFFFAOYSA-N -1 0 345.149 2.259 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1c(Br)cncc1[N+](=O)[O-] ZINC000235311234 960408526 /nfs/dbraw/zinc/40/85/26/960408526.db2.gz FPSXNINYNUMPMA-RQJHMYQMSA-N -1 0 330.138 2.052 20 5 EEBDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC001321950960 961004904 /nfs/dbraw/zinc/00/49/04/961004904.db2.gz SXJAXTKHDBVNOS-CQSZACIVSA-N -1 0 329.312 2.244 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC001574382689 961120677 /nfs/dbraw/zinc/12/06/77/961120677.db2.gz WBRHZFIFBUIURT-ZDUSSCGKSA-N -1 0 336.344 2.138 20 5 EEBDRM O=C([O-])CCC1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001574693834 962660826 /nfs/dbraw/zinc/66/08/26/962660826.db2.gz QWYUKBZZTYTMGD-UHFFFAOYSA-N -1 0 326.324 2.307 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001574225795 962974716 /nfs/dbraw/zinc/97/47/16/962974716.db2.gz IGGSYQHGLPKKDW-UHFFFAOYSA-N -1 0 336.344 2.255 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC001603360163 972822788 /nfs/dbraw/zinc/82/27/88/972822788.db2.gz NGRRFAAPFFEDAU-DGCLKSJQSA-N -1 0 345.355 2.119 20 5 EEBDRM Nc1c(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC001605653516 974030530 /nfs/dbraw/zinc/03/05/30/974030530.db2.gz NHSUUPMEUTVBCL-LLVKDONJSA-N -1 0 341.323 2.396 20 5 EEBDRM Nc1c(Cl)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001605653676 974032668 /nfs/dbraw/zinc/03/26/68/974032668.db2.gz PXGHMIPLXYKGBI-UHFFFAOYSA-N -1 0 336.691 2.176 20 5 EEBDRM CC(C)O[C@]1(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC001591696924 975540688 /nfs/dbraw/zinc/54/06/88/975540688.db2.gz TVGHKVSNZQRYJN-OAHLLOKOSA-N -1 0 325.317 2.256 20 5 EEBDRM C[C@H](CC(=O)OC(C)(C)C)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001592428335 978049750 /nfs/dbraw/zinc/04/97/50/978049750.db2.gz AVLJLTORESVDED-MRVPVSSYSA-N -1 0 325.321 2.220 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)C2 ZINC000864211870 979897532 /nfs/dbraw/zinc/89/75/32/979897532.db2.gz KOZUQIYIFHSMFD-VBHSOAQHSA-N -1 0 344.367 2.386 20 5 EEBDRM C[C@@](NC(=O)[C@H]1CCCCS1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593006621 980221677 /nfs/dbraw/zinc/22/16/77/980221677.db2.gz AEYYVGZIEJOGSC-DOMZBBRYSA-N -1 0 338.385 2.297 20 5 EEBDRM CCCC[C@H](C(=O)[O-])S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001595629223 981796744 /nfs/dbraw/zinc/79/67/44/981796744.db2.gz DZJMPGLODSPKPX-CYBMUJFWSA-N -1 0 329.374 2.461 20 5 EEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)[O-])C2CC2)cc1OC ZINC001597045287 986507239 /nfs/dbraw/zinc/50/72/39/986507239.db2.gz WCUQFGTTXDMRSH-CYBMUJFWSA-N -1 0 339.300 2.022 20 5 EEBDRM CC(C)(C(=O)NCc1ccnc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001589572068 987343157 /nfs/dbraw/zinc/34/31/57/987343157.db2.gz KEXPBGLFNAUXAJ-UHFFFAOYSA-N -1 0 343.339 2.282 20 5 EEBDRM CCn1nc(C)c(CC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1C ZINC001597933866 989900100 /nfs/dbraw/zinc/90/01/00/989900100.db2.gz VYDZTPFZVHZORC-UHFFFAOYSA-N -1 0 347.327 2.274 20 5 EEBDRM COc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])c1 ZINC001599686560 990996896 /nfs/dbraw/zinc/99/68/96/990996896.db2.gz LQKTVOOLBQJQIJ-LBPRGKRZSA-N -1 0 336.325 2.221 20 5 EEBDRM COc1cnc(F)c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001599724168 991589578 /nfs/dbraw/zinc/58/95/78/991589578.db2.gz AJRLUCZVFHPVQN-UHFFFAOYSA-N -1 0 335.247 2.088 20 5 EEBDRM COc1ccc(OC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1[N+](=O)[O-] ZINC001599599508 993795342 /nfs/dbraw/zinc/79/53/42/993795342.db2.gz HZGVEIRDTYTACQ-UHFFFAOYSA-N -1 0 334.284 2.466 20 5 EEBDRM COc1cccc(C(=O)[O-])c1OC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001599646277 994428676 /nfs/dbraw/zinc/42/86/76/994428676.db2.gz VLOMVKGGNWGKFX-ZDUSSCGKSA-N -1 0 333.296 2.414 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001593666899 996053616 /nfs/dbraw/zinc/05/36/16/996053616.db2.gz DIYNGXNMUAAWSW-KWQFWETISA-N -1 0 330.337 2.004 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001593768613 996453972 /nfs/dbraw/zinc/45/39/72/996453972.db2.gz NMKRGVUUIRZHKH-MRXNPFEDSA-N -1 0 335.360 2.034 20 5 EEBDRM CC1(C)C[C@]1(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001593865432 996671407 /nfs/dbraw/zinc/67/14/07/996671407.db2.gz QNTMTYIOWHDZCC-CQSZACIVSA-N -1 0 342.373 2.008 20 5 EEBDRM CON(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CC(=O)[O-] ZINC001599310578 997408057 /nfs/dbraw/zinc/40/80/57/997408057.db2.gz TZAGVJLDPHDUHV-VIFPVBQESA-N -1 0 344.751 2.434 20 5 EEBDRM C[C@@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CO ZINC001594432542 999609561 /nfs/dbraw/zinc/60/95/61/999609561.db2.gz UCMYDUKCGLVJLF-RKDXNWHRSA-N -1 0 328.752 2.401 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000414644719 529879792 /nfs/dbraw/zinc/87/97/92/529879792.db2.gz OTZUEYPUBOQRMO-UHFFFAOYSA-N -1 0 343.767 2.297 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(Cc2ccsc2)CC1 ZINC000025397392 202131213 /nfs/dbraw/zinc/13/12/13/202131213.db2.gz DVEJOICAUAYVHE-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262506966 201204376 /nfs/dbraw/zinc/20/43/76/201204376.db2.gz MPEZRCFGYMSVGH-SSDOTTSWSA-N -1 0 340.641 2.384 20 5 EEBDRM CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000275061153 201276154 /nfs/dbraw/zinc/27/61/54/201276154.db2.gz UVAWMQYDFYMLLM-JTQLQIEISA-N -1 0 344.389 2.153 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000347621245 296104956 /nfs/dbraw/zinc/10/49/56/296104956.db2.gz OKDFMQRCLARXIO-GHMZBOCLSA-N -1 0 335.360 2.034 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCc2c[nH]nc2C1 ZINC000253630310 244041610 /nfs/dbraw/zinc/04/16/10/244041610.db2.gz ZPORGJFZXSZVDP-SSDOTTSWSA-N -1 0 336.735 2.421 20 5 EEBDRM CN(C)C(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000077242892 203375993 /nfs/dbraw/zinc/37/59/93/203375993.db2.gz RWOHRFJPEDZICR-UHFFFAOYSA-N -1 0 343.339 2.183 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[C@@H]1C(=O)[O-] ZINC000263006064 245295552 /nfs/dbraw/zinc/29/55/52/245295552.db2.gz PGZBXSJROTXEAY-ONGXEEELSA-N -1 0 331.328 2.259 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236940967 204145042 /nfs/dbraw/zinc/14/50/42/204145042.db2.gz COIKAXVHHLKIAV-NSHDSACASA-N -1 0 346.343 2.106 20 5 EEBDRM O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159421212 255795384 /nfs/dbraw/zinc/79/53/84/255795384.db2.gz GSPJAYHGQRHFCW-KGLIPLIRSA-N -1 0 330.344 2.411 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000271061145 256203982 /nfs/dbraw/zinc/20/39/82/256203982.db2.gz KLRPZPLVYWYSEX-JTQLQIEISA-N -1 0 344.389 2.085 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000281270036 257937712 /nfs/dbraw/zinc/93/77/12/257937712.db2.gz WXWOCVKTFLXOKK-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM Cc1cn2c(n1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])CCC2 ZINC000372255683 143689520 /nfs/dbraw/zinc/68/95/20/143689520.db2.gz ROYRADHMSUCNOC-LLVKDONJSA-N -1 0 330.344 2.113 20 5 EEBDRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000263058068 152365721 /nfs/dbraw/zinc/36/57/21/152365721.db2.gz GCNYGKYJNGPWDZ-GFCCVEGCSA-N -1 0 332.312 2.394 20 5 EEBDRM NC(=O)CN(CCC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000101683796 159255537 /nfs/dbraw/zinc/25/55/37/159255537.db2.gz JCBKBSGHRWYKNN-UHFFFAOYSA-N -1 0 349.387 2.198 20 5 EEBDRM Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000105388491 159301538 /nfs/dbraw/zinc/30/15/38/159301538.db2.gz LUKDENVZRXBUME-UHFFFAOYSA-N -1 0 348.340 2.286 20 5 EEBDRM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000110095010 159356643 /nfs/dbraw/zinc/35/66/43/159356643.db2.gz YSUXJCUBELYHAU-OAQYLSRUSA-N -1 0 340.382 2.133 20 5 EEBDRM C[S@](=O)Cc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000343941349 161182643 /nfs/dbraw/zinc/18/26/43/161182643.db2.gz BFUWETBQGKTUML-DEOSSOPVSA-N -1 0 348.380 2.109 20 5 EEBDRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344261607 161212247 /nfs/dbraw/zinc/21/22/47/161212247.db2.gz NRWISADCYMCCFY-UHFFFAOYSA-N -1 0 344.258 2.330 20 5 EEBDRM O=C([O-])c1cccc(CC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000347389062 161448262 /nfs/dbraw/zinc/44/82/62/161448262.db2.gz OKWZCPAKJDNMSM-UHFFFAOYSA-N -1 0 343.339 2.064 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cnn(Cc3ccccc3)c2)[nH]1 ZINC000352012333 162027440 /nfs/dbraw/zinc/02/74/40/162027440.db2.gz ATDSMFDGEQPQHJ-VOTSOKGWSA-N -1 0 339.311 2.211 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000358848891 163998458 /nfs/dbraw/zinc/99/84/58/163998458.db2.gz AQDBZCBFHYPYMX-NSHDSACASA-N -1 0 344.389 2.085 20 5 EEBDRM O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000279927791 269317050 /nfs/dbraw/zinc/31/70/50/269317050.db2.gz IXPXMQQYKILAMO-VIFPVBQESA-N -1 0 332.316 2.170 20 5 EEBDRM Cc1noc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000286604360 274888545 /nfs/dbraw/zinc/88/85/45/274888545.db2.gz ZXRDBCMPAZGLEP-LBPRGKRZSA-N -1 0 332.316 2.359 20 5 EEBDRM CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000288824007 275087193 /nfs/dbraw/zinc/08/71/93/275087193.db2.gz BUKPPIQAUOUSDS-NSHDSACASA-N -1 0 342.352 2.133 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000192723161 279190917 /nfs/dbraw/zinc/19/09/17/279190917.db2.gz RKXZBOMLIURJCI-LBPRGKRZSA-N -1 0 346.343 2.010 20 5 EEBDRM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000293789012 293295951 /nfs/dbraw/zinc/29/59/51/293295951.db2.gz SAQXAKCGJVNNKV-LLVKDONJSA-N -1 0 348.277 2.482 20 5 EEBDRM COc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1NC(N)=O ZINC000354058226 295000937 /nfs/dbraw/zinc/00/09/37/295000937.db2.gz FFDQKQBAWHZDJV-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM Cc1cc(F)cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000262430751 301298668 /nfs/dbraw/zinc/29/86/68/301298668.db2.gz MJEUVWYMVDDNIY-LBPRGKRZSA-N -1 0 336.319 2.369 20 5 EEBDRM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000364928340 303898796 /nfs/dbraw/zinc/89/87/96/303898796.db2.gz CWFWZCXRXXUYLS-SNVBAGLBSA-N -1 0 336.250 2.442 20 5 EEBDRM O=C([O-])C1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000416442531 313224695 /nfs/dbraw/zinc/22/46/95/313224695.db2.gz UDFQIRNXVBFSJM-UHFFFAOYSA-N -1 0 329.312 2.090 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000416445684 313225656 /nfs/dbraw/zinc/22/56/56/313225656.db2.gz MKEFZZSHRRZXHA-UONOGXRCSA-N -1 0 335.360 2.025 20 5 EEBDRM CC1(C)C[C@H](C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000416503149 313240208 /nfs/dbraw/zinc/24/02/08/313240208.db2.gz OLTDEBIYODZWSD-SNVBAGLBSA-N -1 0 346.380 2.217 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)cccc1O ZINC000433825749 314797554 /nfs/dbraw/zinc/79/75/54/314797554.db2.gz ICDFOMQOZYNPMR-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM CN(C)C(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436953386 315015819 /nfs/dbraw/zinc/01/58/19/315015819.db2.gz OWVDQAMGFQULAU-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM COC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436964824 315017248 /nfs/dbraw/zinc/01/72/48/315017248.db2.gz HBBSTBWHCJCRDG-UHFFFAOYSA-N -1 0 330.296 2.017 20 5 EEBDRM COCC[C@@H](Cc1ccco1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436988363 315020303 /nfs/dbraw/zinc/02/03/03/315020303.db2.gz LZXIEDYZRVWBSN-LBPRGKRZSA-N -1 0 334.328 2.271 20 5 EEBDRM C[C@@](CO)(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000437001440 315021993 /nfs/dbraw/zinc/02/19/93/315021993.db2.gz PFUVPVJWQCCJQI-SFHVURJKSA-N -1 0 344.367 2.272 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c([N+](=O)[O-])n1 ZINC000443408666 315246127 /nfs/dbraw/zinc/24/61/27/315246127.db2.gz IGYWSFRNTXLXHJ-UHFFFAOYSA-N -1 0 345.406 2.192 20 5 EEBDRM CC(C)(C)OC(=O)N1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000496906879 316321785 /nfs/dbraw/zinc/32/17/85/316321785.db2.gz DYMKDQCIDNLTHQ-SNVBAGLBSA-N -1 0 339.348 2.479 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000538474848 318036762 /nfs/dbraw/zinc/03/67/62/318036762.db2.gz PEEHWYPEGQLNCJ-GFCCVEGCSA-N -1 0 335.291 2.018 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(F)c1 ZINC000551878726 318475722 /nfs/dbraw/zinc/47/57/22/318475722.db2.gz KUTUWELIHGSUSM-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM O=C([O-])c1cc(N2CC[C@@H](OCc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000564334205 319079036 /nfs/dbraw/zinc/07/90/36/319079036.db2.gz DELURFCGEVHVFS-CQSZACIVSA-N -1 0 343.339 2.484 20 5 EEBDRM CSc1ccc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000565893836 319224887 /nfs/dbraw/zinc/22/48/87/319224887.db2.gz BQGANLSCPQVHRV-RFAUZJTJSA-N -1 0 338.385 2.500 20 5 EEBDRM COc1cccc(COCCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000566290239 319269632 /nfs/dbraw/zinc/26/96/32/319269632.db2.gz DKJDMBKOGDSMGP-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM CCN(C1CCCC1)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568007750 319444141 /nfs/dbraw/zinc/44/41/41/319444141.db2.gz ZGAIPMBAUIKKNE-UHFFFAOYSA-N -1 0 342.373 2.246 20 5 EEBDRM C[C@H](O)[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000570047128 319631703 /nfs/dbraw/zinc/63/17/03/319631703.db2.gz QIIWFHXVRPIEDB-DTWKUNHWSA-N -1 0 328.752 2.187 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000575739507 320109201 /nfs/dbraw/zinc/10/92/01/320109201.db2.gz UJMDMIFDJQPGPB-NSHDSACASA-N -1 0 335.360 2.175 20 5 EEBDRM CCCOc1ncccc1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576403342 320168966 /nfs/dbraw/zinc/16/89/66/320168966.db2.gz UQCLOMCJEYCCBY-UHFFFAOYSA-N -1 0 332.316 2.484 20 5 EEBDRM O=C([O-])C1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CCSCC1 ZINC000579908854 323951655 /nfs/dbraw/zinc/95/16/55/323951655.db2.gz UKBSOZLFELOZDH-UHFFFAOYSA-N -1 0 325.346 2.067 20 5 EEBDRM CCCC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000582120305 324384975 /nfs/dbraw/zinc/38/49/75/324384975.db2.gz ONPLLFLKIOWVHT-UHFFFAOYSA-N -1 0 344.389 2.458 20 5 EEBDRM Cc1ccc(C[C@@H](CO)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000582492884 324465006 /nfs/dbraw/zinc/46/50/06/324465006.db2.gz UFVCIDQKOPQRNF-LBPRGKRZSA-N -1 0 331.328 2.012 20 5 EEBDRM Cn1ncc2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])cc21 ZINC000583355674 324643973 /nfs/dbraw/zinc/64/39/73/324643973.db2.gz VGFSGBOXYYXWRZ-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM CN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])ccc21 ZINC000184753476 465024261 /nfs/dbraw/zinc/02/42/61/465024261.db2.gz XCFRFXPMMUKRFJ-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM Cc1cccc(N2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000327339744 465051571 /nfs/dbraw/zinc/05/15/71/465051571.db2.gz CCQMJIPRVVLTMJ-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000339391555 465243218 /nfs/dbraw/zinc/24/32/18/465243218.db2.gz CXMZJSLBINOSEA-UHFFFAOYSA-N -1 0 338.707 2.400 20 5 EEBDRM COc1ccc(C(=O)COc2cccc([N+](=O)[O-])c2)c2occ([O-])c21 ZINC000351690767 465295193 /nfs/dbraw/zinc/29/51/93/465295193.db2.gz DAXHMXJCPKPLQM-UHFFFAOYSA-N -1 0 343.291 2.440 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000128552739 462651849 /nfs/dbraw/zinc/65/18/49/462651849.db2.gz OYPXYUCPKJZGEC-UHFFFAOYSA-N -1 0 328.296 2.352 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000091021255 462821265 /nfs/dbraw/zinc/82/12/65/462821265.db2.gz QAFVBWUWWQUNQX-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000521628804 468324627 /nfs/dbraw/zinc/32/46/27/468324627.db2.gz BQDQRKSWQZBYJE-OAHLLOKOSA-N -1 0 344.367 2.485 20 5 EEBDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000014371537 462926394 /nfs/dbraw/zinc/92/63/94/462926394.db2.gz HTYCGBQBNINDHA-UHFFFAOYSA-N -1 0 344.352 2.165 20 5 EEBDRM C[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000120878009 463050315 /nfs/dbraw/zinc/05/03/15/463050315.db2.gz LQZVYMSBZQCBFT-JTQLQIEISA-N -1 0 329.312 2.057 20 5 EEBDRM O=C(N[C@H]1CCC[C@@H]1CCO)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000521879718 468337680 /nfs/dbraw/zinc/33/76/80/468337680.db2.gz PNMXXWXPKYWSGR-KCJUWKMLSA-N -1 0 328.752 2.235 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-n2cccn2)n1 ZINC000135340596 463145745 /nfs/dbraw/zinc/14/57/45/463145745.db2.gz BZAMBKJVUCEKBH-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CN1C(=O)Cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])ccc21 ZINC000194702961 463911785 /nfs/dbraw/zinc/91/17/85/463911785.db2.gz UDTUMDPTTKZWNU-UHFFFAOYSA-N -1 0 327.296 2.072 20 5 EEBDRM Cc1cnc(N2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)s1 ZINC000269306171 463947175 /nfs/dbraw/zinc/94/71/75/463947175.db2.gz WUMWJTLTLYZMIO-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC000262229911 463977344 /nfs/dbraw/zinc/97/73/44/463977344.db2.gz OKACROUJOZWQHS-NSHDSACASA-N -1 0 335.360 2.036 20 5 EEBDRM CC1(C)[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]21 ZINC000262391182 464017051 /nfs/dbraw/zinc/01/70/51/464017051.db2.gz KJZQSSQVXRCMNY-MCIONIFRSA-N -1 0 348.355 2.226 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)NCCc1ccccc1[N+](=O)[O-])C2 ZINC000263222957 464066706 /nfs/dbraw/zinc/06/67/06/464066706.db2.gz LAZZCBXHDDPYFH-SUMWQHHRSA-N -1 0 347.371 2.034 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2noc(C3CC3)n2)c1C ZINC000180785676 464394924 /nfs/dbraw/zinc/39/49/24/464394924.db2.gz LHPUXCUVKKLXGP-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000246525047 464594401 /nfs/dbraw/zinc/59/44/01/464594401.db2.gz DVPOWUBOMJNMIZ-WCBZVUCDSA-N -1 0 340.401 2.110 20 5 EEBDRM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272587729 464669659 /nfs/dbraw/zinc/66/96/59/464669659.db2.gz VFMLFXQBSCRHPO-GFCCVEGCSA-N -1 0 349.387 2.069 20 5 EEBDRM Cc1cc(Br)c([O-])c(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000182924806 464759603 /nfs/dbraw/zinc/75/96/03/464759603.db2.gz RVVVFVMZWIFKRC-UHFFFAOYSA-N -1 0 341.121 2.347 20 5 EEBDRM O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183438768 464864704 /nfs/dbraw/zinc/86/47/04/464864704.db2.gz YHNWWVUYLSVQSB-UHFFFAOYSA-N -1 0 343.274 2.273 20 5 EEBDRM CCCNC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCCC1 ZINC000184736279 465023132 /nfs/dbraw/zinc/02/31/32/465023132.db2.gz LWGJPMDTRCVJLK-UHFFFAOYSA-N -1 0 349.387 2.259 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593925255 468436474 /nfs/dbraw/zinc/43/64/74/468436474.db2.gz MYWOUMMNXOSGCG-ZDUSSCGKSA-N -1 0 349.387 2.133 20 5 EEBDRM CCOC(=O)C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000579955670 468442162 /nfs/dbraw/zinc/44/21/62/468442162.db2.gz WFVODIQCCNKREQ-UHFFFAOYSA-N -1 0 342.735 2.027 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1C ZINC000362445425 465744900 /nfs/dbraw/zinc/74/49/00/465744900.db2.gz DLXGHCCMYIOHAJ-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1coc(C2CCOCC2)n1 ZINC000338404053 466096360 /nfs/dbraw/zinc/09/63/60/466096360.db2.gz CUEJZQXYAFJJFH-UHFFFAOYSA-N -1 0 333.300 2.435 20 5 EEBDRM CCOc1cc(C(=O)Nc2ncccc2[O-])c([N+](=O)[O-])cc1OC ZINC000358026651 466395798 /nfs/dbraw/zinc/39/57/98/466395798.db2.gz QQRVBBOVYMHPNQ-UHFFFAOYSA-N -1 0 333.300 2.355 20 5 EEBDRM O=C(c1ccccc1)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338897069 466468703 /nfs/dbraw/zinc/46/87/03/466468703.db2.gz ARPVDTRFYVFHLB-UHFFFAOYSA-N -1 0 341.367 2.258 20 5 EEBDRM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1C ZINC000314436086 466549494 /nfs/dbraw/zinc/54/94/94/466549494.db2.gz HORHSELPHQLLPO-JFGNBEQYSA-N -1 0 328.390 2.403 20 5 EEBDRM CCc1ccc(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000319785881 466600366 /nfs/dbraw/zinc/60/03/66/466600366.db2.gz SGAAPQWNRFLFAB-UHFFFAOYSA-N -1 0 342.398 2.403 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000347392299 466606625 /nfs/dbraw/zinc/60/66/25/466606625.db2.gz UFAOABGLBKWBOF-UHFFFAOYSA-N -1 0 326.308 2.425 20 5 EEBDRM Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000320500843 466610129 /nfs/dbraw/zinc/61/01/29/466610129.db2.gz WSCZCZVUEFPVGT-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000457341092 467805587 /nfs/dbraw/zinc/80/55/87/467805587.db2.gz JLVCARCAFUILTN-UHFFFAOYSA-N -1 0 332.360 2.332 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC000516869886 468051825 /nfs/dbraw/zinc/05/18/25/468051825.db2.gz OVGQLFCXOVDPMM-JDNHERCYSA-N -1 0 336.344 2.095 20 5 EEBDRM CCOC[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000517150471 468072963 /nfs/dbraw/zinc/07/29/63/468072963.db2.gz OHLYOVGWQSFTNO-SECBINFHSA-N -1 0 328.752 2.452 20 5 EEBDRM Cc1cc(N2CCC(O)(C(F)F)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000520234843 468236808 /nfs/dbraw/zinc/23/68/08/468236808.db2.gz GLWYBKZJFIZRRK-UHFFFAOYSA-N -1 0 330.287 2.198 20 5 EEBDRM Cc1cc(S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000594674284 468649935 /nfs/dbraw/zinc/64/99/35/468649935.db2.gz LHNPSSKTTUQLNC-UHFFFAOYSA-N -1 0 344.389 2.025 20 5 EEBDRM O=C([O-])[C@H](CC(F)F)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600869480 468671216 /nfs/dbraw/zinc/67/12/16/468671216.db2.gz LZRYCRAXDXBWEF-NSHDSACASA-N -1 0 342.298 2.241 20 5 EEBDRM C[C@@H]1C[C@H](CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000600871716 468672253 /nfs/dbraw/zinc/67/22/53/468672253.db2.gz IJJPGJCKPGBWOA-GHMZBOCLSA-N -1 0 336.344 2.228 20 5 EEBDRM O=C(NC1CCC(CO)CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592786321 468785555 /nfs/dbraw/zinc/78/55/55/468785555.db2.gz PCSSERPBOZTGJH-UHFFFAOYSA-N -1 0 328.752 2.235 20 5 EEBDRM CC[C@@H](COCC1CC1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000595242767 468791022 /nfs/dbraw/zinc/79/10/22/468791022.db2.gz FJKSPAMUCMVIPJ-ZDUSSCGKSA-N -1 0 336.344 2.228 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCO[C@H](CC(F)(F)F)C2)n1 ZINC000595280536 468799622 /nfs/dbraw/zinc/79/96/22/468799622.db2.gz MHDQQYDOCZPWDM-MRVPVSSYSA-N -1 0 349.265 2.154 20 5 EEBDRM CCOc1ccccc1CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592972216 468831981 /nfs/dbraw/zinc/83/19/81/468831981.db2.gz XCYQTYLFDYFCEB-UHFFFAOYSA-N -1 0 331.328 2.741 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CCCO[C@H]2C(C)C)n1 ZINC000592977214 468832956 /nfs/dbraw/zinc/83/29/56/468832956.db2.gz SVNCTCLRDRCHFU-FZMZJTMJSA-N -1 0 337.376 2.860 20 5 EEBDRM CCc1nc2n(n1)C[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)CC2 ZINC000584413026 468866948 /nfs/dbraw/zinc/86/69/48/468866948.db2.gz SGUNCIIHYUNVMK-JTQLQIEISA-N -1 0 345.359 2.182 20 5 EEBDRM C[C@@H](NC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000572343177 468918906 /nfs/dbraw/zinc/91/89/06/468918906.db2.gz NFYXEJKUYYHPAO-GMSGAONNSA-N -1 0 349.265 2.361 20 5 EEBDRM CC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000593309049 468934698 /nfs/dbraw/zinc/93/46/98/468934698.db2.gz QPDDUVXKWPKKFI-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000610844760 469086931 /nfs/dbraw/zinc/08/69/31/469086931.db2.gz VBSIUKFRGVRZOS-JTQLQIEISA-N -1 0 338.385 2.399 20 5 EEBDRM Cc1nn(C)c(C)c1-c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2C)[n-]1 ZINC000601944218 469105918 /nfs/dbraw/zinc/10/59/18/469105918.db2.gz WYKGIXBMUAYFJM-UHFFFAOYSA-N -1 0 327.344 2.395 20 5 EEBDRM O=C([O-])[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595989456 469107690 /nfs/dbraw/zinc/10/76/90/469107690.db2.gz PYPDCBNKRLRDDV-AWEZNQCLSA-N -1 0 335.360 2.014 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC2(c3ccccn3)CCC2)n1 ZINC000574758881 469279677 /nfs/dbraw/zinc/27/96/77/469279677.db2.gz BPTNZROSRZADJU-UHFFFAOYSA-N -1 0 342.355 2.925 20 5 EEBDRM O=C([O-])C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000191513049 534481865 /nfs/dbraw/zinc/48/18/65/534481865.db2.gz RMGFYPXPIFDWSW-UHFFFAOYSA-N -1 0 335.360 2.158 20 5 EEBDRM O=C([O-])CC[C@H]1CCCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000776696477 577466219 /nfs/dbraw/zinc/46/62/19/577466219.db2.gz ZWPSUHIPMZRVRL-SECBINFHSA-N -1 0 348.402 2.064 20 5 EEBDRM CCCC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000770777011 577603451 /nfs/dbraw/zinc/60/34/51/577603451.db2.gz UDHMXTIRDBMUTF-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000761422228 577683499 /nfs/dbraw/zinc/68/34/99/577683499.db2.gz ZIZAVLAHOMPZJK-JTQLQIEISA-N -1 0 344.389 2.235 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ncccc2C)cc([N+](=O)[O-])c1C ZINC000750680078 577741159 /nfs/dbraw/zinc/74/11/59/577741159.db2.gz YESAWGNNNSPJSK-UHFFFAOYSA-N -1 0 349.368 2.034 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C2\CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000753809392 577794202 /nfs/dbraw/zinc/79/42/02/577794202.db2.gz JVMJSOQRHODANK-LZAIMSLLSA-N -1 0 338.385 2.455 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000744133145 577893230 /nfs/dbraw/zinc/89/32/30/577893230.db2.gz VNJQMTSVAGYTIY-LLVKDONJSA-N -1 0 328.390 2.399 20 5 EEBDRM Cc1cccc(C(=O)N(C)c2nc(CC(=O)[O-])cs2)c1[N+](=O)[O-] ZINC000738682445 578023728 /nfs/dbraw/zinc/02/37/28/578023728.db2.gz ZCUNECRHDNYPFN-UHFFFAOYSA-N -1 0 335.341 2.263 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCOC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000739625302 578061376 /nfs/dbraw/zinc/06/13/76/578061376.db2.gz OLEQCZBNGVYJAW-BPJJOFIESA-N -1 0 336.344 2.300 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1CO ZINC000740098795 578080748 /nfs/dbraw/zinc/08/07/48/578080748.db2.gz ZGFXOKFWEOIINM-UHFFFAOYSA-N -1 0 347.283 2.306 20 5 EEBDRM CSCCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000740531502 578097495 /nfs/dbraw/zinc/09/74/95/578097495.db2.gz WXXGCMJBZYVTQD-UHFFFAOYSA-N -1 0 346.430 2.241 20 5 EEBDRM CN(C(=O)c1csc([N+](=O)[O-])c1)c1nc(CC(=O)[O-])cs1 ZINC000737348876 578251921 /nfs/dbraw/zinc/25/19/21/578251921.db2.gz VTHKQFKBMJZIJD-UHFFFAOYSA-N -1 0 327.343 2.017 20 5 EEBDRM CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)C(=O)[O-] ZINC000061150494 600166493 /nfs/dbraw/zinc/16/64/93/600166493.db2.gz ZWSCDJYJKBSANS-UHFFFAOYSA-N -1 0 345.149 2.293 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)COc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000828729238 601347130 /nfs/dbraw/zinc/34/71/30/601347130.db2.gz PSFHSTYNHUOJFF-SDBXPKJASA-N -1 0 344.751 2.243 20 5 EEBDRM Cn1c(-c2nc(COc3cccc(C(=O)[O-])c3)no2)ccc1[N+](=O)[O-] ZINC000833038024 601365412 /nfs/dbraw/zinc/36/54/12/601365412.db2.gz ZMJVISRCCIDLHX-UHFFFAOYSA-N -1 0 344.283 2.261 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000830390625 601458905 /nfs/dbraw/zinc/45/89/05/601458905.db2.gz LECFUWMLMDYBSW-UHFFFAOYSA-N -1 0 334.284 2.388 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000828169828 601679965 /nfs/dbraw/zinc/67/99/65/601679965.db2.gz XBCRLVRTMDORJI-VWYCJHECSA-N -1 0 335.360 2.032 20 5 EEBDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000833481603 604653765 /nfs/dbraw/zinc/65/37/65/604653765.db2.gz WWEDJNCAIGAKBX-CYBMUJFWSA-N -1 0 335.360 2.162 20 5 EEBDRM O=C([O-])Nc1ccc(CNC(=O)CNc2cccc([N+](=O)[O-])c2)cc1 ZINC000833286740 604798003 /nfs/dbraw/zinc/79/80/03/604798003.db2.gz VKSOZXHAVJVIKS-UHFFFAOYSA-N -1 0 344.327 2.413 20 5 EEBDRM O=C([O-])c1cccc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000833334157 604816199 /nfs/dbraw/zinc/81/61/99/604816199.db2.gz LRRCQPKHYHESMC-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM CC(C)(C)C[C@@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000833428567 605235575 /nfs/dbraw/zinc/23/55/75/605235575.db2.gz UIHCHFXTWJYIAY-CYBMUJFWSA-N -1 0 349.343 2.377 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cccs1 ZINC000122581632 683385669 /nfs/dbraw/zinc/38/56/69/683385669.db2.gz OFVFQBROTFJKAL-SSDOTTSWSA-N -1 0 346.411 2.326 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000263330388 689706086 /nfs/dbraw/zinc/70/60/86/689706086.db2.gz LJOMXQXHAJBTPB-CMPLNLGQSA-N -1 0 347.371 2.352 20 5 EEBDRM CC/C=C(\C)C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842404774 1189608282 /nfs/dbraw/zinc/60/82/82/1189608282.db2.gz AIXDMYFMAQQECD-UXBLZVDNSA-N -1 0 326.374 2.206 20 5 EEBDRM COCc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2Br)[n-]1 ZINC000871959317 1197991932 /nfs/dbraw/zinc/99/19/32/1197991932.db2.gz MKVXNWSDSUSJDZ-UHFFFAOYSA-N -1 0 328.122 2.096 20 5 EEBDRM CCC(CC)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120532810 1198198861 /nfs/dbraw/zinc/19/88/61/1198198861.db2.gz DKJHKGUKZXGMGF-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120624039 1198271992 /nfs/dbraw/zinc/27/19/92/1198271992.db2.gz XQNIHRMKLOWHNY-VHSXEESVSA-N -1 0 344.364 2.365 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000866283248 1201483191 /nfs/dbraw/zinc/48/31/91/1201483191.db2.gz SSTIKIBSRLXNOR-CYBMUJFWSA-N -1 0 347.293 2.251 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](Cc2nccs2)C1 ZINC000890219852 1202233278 /nfs/dbraw/zinc/23/32/78/1202233278.db2.gz WLLLQLPNINSOHM-JTQLQIEISA-N -1 0 333.369 2.462 20 5 EEBDRM O=C(NC[C@@H](O)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779672876 1210747369 /nfs/dbraw/zinc/74/73/69/1210747369.db2.gz NVKNXTYEZKGVEG-CYBMUJFWSA-N -1 0 338.266 2.042 20 5 EEBDRM COCCN(CCC(=O)[O-])c1cccc(Br)c1[N+](=O)[O-] ZINC000900978530 1235072445 /nfs/dbraw/zinc/07/24/45/1235072445.db2.gz KUCACDYHSJPISY-UHFFFAOYSA-N -1 0 347.165 2.285 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)n1 ZINC000853990192 1292573282 /nfs/dbraw/zinc/57/32/82/1292573282.db2.gz YLRIFNRSCQBFFO-SCZZXKLOSA-N -1 0 346.309 2.192 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000115924246 1294038583 /nfs/dbraw/zinc/03/85/83/1294038583.db2.gz ZPVAWGORBMQLOC-UHFFFAOYSA-N -1 0 340.382 2.012 20 5 EEBDRM Cn1ncc2cc(-c3noc(-c4cnc([N+](=O)[O-])c([O-])c4)n3)ccc21 ZINC001213596222 1296102359 /nfs/dbraw/zinc/10/23/59/1296102359.db2.gz RXNICAWAUDLFEH-UHFFFAOYSA-N -1 0 338.283 2.299 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H]2CC[C@H](C)CC2)c1[N+](=O)[O-] ZINC001226020917 1301236035 /nfs/dbraw/zinc/23/60/35/1301236035.db2.gz MVJJOXXGKASWLA-KYZUINATSA-N -1 0 325.321 2.225 20 5 EEBDRM CCC[C@@H](CC(=O)OCC)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-] ZINC001227625020 1301914315 /nfs/dbraw/zinc/91/43/15/1301914315.db2.gz MMBHZBZFHGYUFH-QMMMGPOBSA-N -1 0 345.377 2.313 20 5 EEBDRM C[C@H](O)CCCC(=O)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228859259 1302489822 /nfs/dbraw/zinc/48/98/22/1302489822.db2.gz KECHNGCOLKLWCC-LURJTMIESA-N -1 0 338.238 2.171 20 5 EEBDRM COC(=O)[C@H]1CCC[C@@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231225527 1303690618 /nfs/dbraw/zinc/69/06/18/1303690618.db2.gz ZECPFADBEDKCQM-DTWKUNHWSA-N -1 0 340.288 2.319 20 5 EEBDRM CCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1nnn[n-]1 ZINC000829801912 1314516239 /nfs/dbraw/zinc/51/62/39/1314516239.db2.gz UVFOPHSWBJHVCL-JTQLQIEISA-N -1 0 338.755 2.341 20 5 EEBDRM CC(=O)N[C@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000837366593 1315073871 /nfs/dbraw/zinc/07/38/71/1315073871.db2.gz XYIXDYHARGFZMF-HNNXBMFYSA-N -1 0 336.344 2.039 20 5 EEBDRM COc1ccc2c(c1)N(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)CCO2 ZINC000356775469 1319621447 /nfs/dbraw/zinc/62/14/47/1319621447.db2.gz XNXSAAZGTRINAW-UHFFFAOYSA-N -1 0 330.296 2.348 20 5 EEBDRM O=C([O-])[C@@H]1CCc2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc2C1 ZINC001608525921 1351709995 /nfs/dbraw/zinc/70/99/95/1351709995.db2.gz KHVOMAWQAKWOIF-ZCFIWIBFSA-N -1 0 337.313 2.086 20 5 EEBDRM O=C([O-])[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC001601281519 1350247888 /nfs/dbraw/zinc/24/78/88/1350247888.db2.gz CZCWRZRQVNCKQQ-CYBMUJFWSA-N -1 0 343.719 2.424 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)CCC2CCC2)cc1[N+](=O)[O-] ZINC001602392574 1350509706 /nfs/dbraw/zinc/50/97/06/1350509706.db2.gz QYEYIEBWFZOLEE-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM NC(=O)c1cnc(Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(Cl)c1 ZINC001608246883 1351655414 /nfs/dbraw/zinc/65/54/14/1351655414.db2.gz IFDWBLBWWXLOIY-UHFFFAOYSA-N -1 0 337.675 2.233 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001608271593 1351660125 /nfs/dbraw/zinc/66/01/25/1351660125.db2.gz CWNVXTWFGPJXSV-UHFFFAOYSA-N -1 0 335.360 2.332 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@H]1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001608628242 1351729245 /nfs/dbraw/zinc/72/92/45/1351729245.db2.gz ZOSLAFKTKLZQSF-WDEREUQCSA-N -1 0 331.332 2.139 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001608632955 1351730257 /nfs/dbraw/zinc/73/02/57/1351730257.db2.gz HQLCWJGNVGXWFW-NQBHXWOUSA-N -1 0 336.319 2.449 20 5 EEBDRM O=C([O-])C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CC1 ZINC001608668454 1351737866 /nfs/dbraw/zinc/73/78/66/1351737866.db2.gz PWERZASXLZCWIK-NSHDSACASA-N -1 0 333.344 2.392 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)OCc2csc([N+](=O)[O-])c2)cc1 ZINC001608758651 1351756330 /nfs/dbraw/zinc/75/63/30/1351756330.db2.gz VXPQLGOQRIJSSO-UHFFFAOYSA-N -1 0 337.309 2.477 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC001608914139 1351793052 /nfs/dbraw/zinc/79/30/52/1351793052.db2.gz BMKVBPBFDNSAEE-JOYOIKCWSA-N -1 0 348.277 2.038 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccccc2-n2cccn2)n1 ZINC001608915702 1351793479 /nfs/dbraw/zinc/79/34/79/1351793479.db2.gz MLFHXSBCGYCWOP-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])c1sccc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001609008490 1351813275 /nfs/dbraw/zinc/81/32/75/1351813275.db2.gz XATRULCZWAXRIA-UHFFFAOYSA-N -1 0 348.336 2.258 20 5 EEBDRM CC(C)(C)C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)[O-] ZINC001609656456 1352051617 /nfs/dbraw/zinc/05/16/17/1352051617.db2.gz WOGAEHVNGNQMBG-JTQLQIEISA-N -1 0 328.296 2.362 20 5 EEBDRM CC(C)(C)c1csc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)n1 ZINC001609670946 1352055320 /nfs/dbraw/zinc/05/53/20/1352055320.db2.gz JNIIPYRATBISIM-UHFFFAOYSA-N -1 0 337.357 2.257 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001609729700 1352070723 /nfs/dbraw/zinc/07/07/23/1352070723.db2.gz AQXXIWJVEILLRN-INIZCTEOSA-N -1 0 329.312 2.110 20 5 EEBDRM Cc1ccc(C(=O)NCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])s1 ZINC001337108014 1336645152 /nfs/dbraw/zinc/64/51/52/1336645152.db2.gz CZVPNVIJFZYFMR-UHFFFAOYSA-N -1 0 335.341 2.039 20 5 EEBDRM CCN(CCSC)c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C ZINC001338300657 1336835391 /nfs/dbraw/zinc/83/53/91/1336835391.db2.gz FMRGSVALORKLOS-UHFFFAOYSA-N -1 0 337.405 2.285 20 5 EEBDRM CC1(C(=O)[O-])CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001609811918 1352091456 /nfs/dbraw/zinc/09/14/56/1352091456.db2.gz JJKPFPHQDWINCU-UHFFFAOYSA-N -1 0 332.234 2.160 20 5 EEBDRM C[C@@H]1COCC[C@@H]1c1noc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001609879228 1352109972 /nfs/dbraw/zinc/10/99/72/1352109972.db2.gz WERLMVWEZYTQCC-PELKAZGASA-N -1 0 333.300 2.483 20 5 EEBDRM CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001609898889 1352114288 /nfs/dbraw/zinc/11/42/88/1352114288.db2.gz HJYDMVWCNPJLNE-VHSXEESVSA-N -1 0 344.389 2.396 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001609925213 1352121253 /nfs/dbraw/zinc/12/12/53/1352121253.db2.gz PETXEWBVHIMZMR-UXIGCNINSA-N -1 0 334.372 2.485 20 5 EEBDRM CN(C)c1nc2c(s1)CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])CC2 ZINC001347241753 1337499823 /nfs/dbraw/zinc/49/98/23/1337499823.db2.gz QZNKLQPABTXGFG-UHFFFAOYSA-N -1 0 348.384 2.021 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC001610214250 1352187062 /nfs/dbraw/zinc/18/70/62/1352187062.db2.gz PEWQGGOSLSOLGD-HZMBPMFUSA-N -1 0 336.344 2.067 20 5 EEBDRM CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000847892965 1338366738 /nfs/dbraw/zinc/36/67/38/1338366738.db2.gz MWSBZUQQPCCVRL-JTQLQIEISA-N -1 0 341.389 2.011 20 5 EEBDRM Cc1c(NC(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610423129 1352220417 /nfs/dbraw/zinc/22/04/17/1352220417.db2.gz BMCZEMKZWKWFQV-YGRLFVJLSA-N -1 0 349.343 2.244 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3ccncn3)C2)c1 ZINC001610841926 1352283739 /nfs/dbraw/zinc/28/37/39/1352283739.db2.gz KYFZEZIHLHYJQQ-GFCCVEGCSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1sccc1S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC001610877088 1352289457 /nfs/dbraw/zinc/28/94/57/1352289457.db2.gz SISVQVKWTLLRKJ-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM CC(C)C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)CC(=O)[O-] ZINC001589658658 1349017147 /nfs/dbraw/zinc/01/71/47/1349017147.db2.gz LLKOKIZOHSGKKQ-JTQLQIEISA-N -1 0 348.363 2.324 20 5 EEBDRM O=c1c2ccccc2c(-c2nnn[n-]2)cn1Cc1ccc([N+](=O)[O-])cc1 ZINC001593495195 1349819323 /nfs/dbraw/zinc/81/93/23/1349819323.db2.gz XOJUACJAVDMNGM-UHFFFAOYSA-N -1 0 348.322 2.138 20 5 EEBDRM O=c1c(-c2nnn[n-]2)cn(CC2CC=CC2)c2ccc([N+](=O)[O-])cc12 ZINC001593494618 1349819911 /nfs/dbraw/zinc/81/99/11/1349819911.db2.gz MABKHJNYKJEVDV-UHFFFAOYSA-N -1 0 338.327 2.056 20 5 EEBDRM Cc1c(NC(=S)NC[C@H]2CCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600049629 1349962326 /nfs/dbraw/zinc/96/23/26/1349962326.db2.gz SUZYPXKAVHILQP-SNVBAGLBSA-N -1 0 339.373 2.067 20 5 EEBDRM Cc1c(NCc2cccc(C(N)=O)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600050050 1349962371 /nfs/dbraw/zinc/96/23/71/1349962371.db2.gz ANQMVDAHBFXSHU-UHFFFAOYSA-N -1 0 329.312 2.312 20 5 EEBDRM Cc1cc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001600238169 1349999060 /nfs/dbraw/zinc/99/90/60/1349999060.db2.gz FGZMOUVRCDHUHH-IUCAKERBSA-N -1 0 348.277 2.194 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC001600305421 1350016337 /nfs/dbraw/zinc/01/63/37/1350016337.db2.gz XPAGFKHPAGSVOI-IINYFYTJSA-N -1 0 335.360 2.027 20 5 EEBDRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001600335211 1350023103 /nfs/dbraw/zinc/02/31/03/1350023103.db2.gz AFFZBKGECOXMLI-CQSZACIVSA-N -1 0 330.296 2.165 20 5 EEBDRM Cc1ccc(OC[C@@H](O)COc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001600468736 1350059071 /nfs/dbraw/zinc/05/90/71/1350059071.db2.gz ROBWEUKTDQYAEU-ZDUSSCGKSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ccc(O[C@@H]2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)nc1 ZINC001600469659 1350059351 /nfs/dbraw/zinc/05/93/51/1350059351.db2.gz VFZDVJGVHOUIFI-GFCCVEGCSA-N -1 0 344.327 2.049 20 5 EEBDRM Nc1ccc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)cc1[N+](=O)[O-] ZINC001601214582 1350233070 /nfs/dbraw/zinc/23/30/70/1350233070.db2.gz LXHDQZXYODXRJM-UHFFFAOYSA-N -1 0 341.323 2.468 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001601216508 1350233539 /nfs/dbraw/zinc/23/35/39/1350233539.db2.gz DJUCEMMHQZMVRF-UHFFFAOYSA-N -1 0 341.323 2.468 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CC(=O)CCCc2ccccc2)c1 ZINC001601270451 1350246153 /nfs/dbraw/zinc/24/61/53/1350246153.db2.gz JCODUSQMFYYNKE-UHFFFAOYSA-N -1 0 344.323 2.047 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccnc1 ZINC001601403040 1350275441 /nfs/dbraw/zinc/27/54/41/1350275441.db2.gz FMMXPUWAYPOXFL-AWEZNQCLSA-N -1 0 340.295 2.027 20 5 EEBDRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001601408193 1350277248 /nfs/dbraw/zinc/27/72/48/1350277248.db2.gz CHZDZDRVLKZVEG-WPRPVWTQSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@@H](C[C@H]1CCCOC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001601641624 1350326191 /nfs/dbraw/zinc/32/61/91/1350326191.db2.gz JURREYULZZSOJG-ZWNOBZJWSA-N -1 0 349.343 2.096 20 5 EEBDRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001601666023 1350332512 /nfs/dbraw/zinc/33/25/12/1350332512.db2.gz CXBQCZWDTLPJEP-RRFJBIMHSA-N -1 0 341.323 2.035 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001601752422 1350357006 /nfs/dbraw/zinc/35/70/06/1350357006.db2.gz KBVLQTRTEUBWKQ-RYUDHWBXSA-N -1 0 348.277 2.024 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 ZINC001601881854 1350389398 /nfs/dbraw/zinc/38/93/98/1350389398.db2.gz FOEYBAZFYQVPIT-FNORWQNLSA-N -1 0 333.344 2.117 20 5 EEBDRM O=C([O-])CCSCCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001602029349 1350421595 /nfs/dbraw/zinc/42/15/95/1350421595.db2.gz COTBLCIPOJZENT-UHFFFAOYSA-N -1 0 339.348 2.324 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOC[C@@H]2CC2CCC2)cc([N+](=O)[O-])c1 ZINC001602244556 1350475005 /nfs/dbraw/zinc/47/50/05/1350475005.db2.gz GBRJJXCBLQMMKZ-HNNXBMFYSA-N -1 0 348.355 2.324 20 5 EEBDRM O=C([O-])c1ccc(-c2nc(COC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cs2)cc1 ZINC001602310961 1350490605 /nfs/dbraw/zinc/49/06/05/1350490605.db2.gz VNJQBDXKVYKCES-VXGBXAGGSA-N -1 0 348.336 2.217 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC001602404902 1350512082 /nfs/dbraw/zinc/51/20/82/1350512082.db2.gz IUMOOLNEKPVCHF-ZDUSSCGKSA-N -1 0 348.277 2.040 20 5 EEBDRM O=C([O-])c1ccnc(NCC(F)(F)C2(O)CCCCC2)c1[N+](=O)[O-] ZINC001602483121 1350529843 /nfs/dbraw/zinc/52/98/43/1350529843.db2.gz BCOQVJQKMSJJRN-UHFFFAOYSA-N -1 0 345.302 2.430 20 5 EEBDRM O=C([O-])c1cnc(NCc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC001602533646 1350540764 /nfs/dbraw/zinc/54/07/64/1350540764.db2.gz NTNOOPISFKZHGS-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC001602598234 1350553990 /nfs/dbraw/zinc/55/39/90/1350553990.db2.gz IEBKMAKUUKAGKV-JTQLQIEISA-N -1 0 344.117 2.377 20 5 EEBDRM O=C([O-])C1(COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC001602612180 1350557337 /nfs/dbraw/zinc/55/73/37/1350557337.db2.gz BAMDKXGQIGZVTJ-UHFFFAOYSA-N -1 0 334.328 2.217 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC001602647769 1350565210 /nfs/dbraw/zinc/56/52/10/1350565210.db2.gz PWNBUGRPQISIMN-XZUYRWCXSA-N -1 0 345.355 2.391 20 5 EEBDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001603304852 1350683432 /nfs/dbraw/zinc/68/34/32/1350683432.db2.gz OPQDJVCIQRWMSY-GFCCVEGCSA-N -1 0 342.323 2.118 20 5 EEBDRM CC(C)C[C@H](NC(=O)CNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001603841535 1350780236 /nfs/dbraw/zinc/78/02/36/1350780236.db2.gz IEVVXJXJTDCVGC-NSHDSACASA-N -1 0 343.767 2.276 20 5 EEBDRM C[C@H](Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])c1nccc(N)n1 ZINC001604365365 1350924413 /nfs/dbraw/zinc/92/44/13/1350924413.db2.gz YNXKIXYENIFSST-LURJTMIESA-N -1 0 337.723 2.492 20 5 EEBDRM CC1(C)CCC[C@@H](CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)O1 ZINC001604528361 1350955476 /nfs/dbraw/zinc/95/54/76/1350955476.db2.gz JECWCJVVAHXYMW-ZDUSSCGKSA-N -1 0 336.344 2.371 20 5 EEBDRM CCOC(=O)c1nc[nH]c1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001605562283 1351190871 /nfs/dbraw/zinc/19/08/71/1351190871.db2.gz UDBSGTXXCHMVAH-UHFFFAOYSA-N -1 0 348.315 2.113 20 5 EEBDRM CCc1cc(CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)on1 ZINC001605798136 1351224941 /nfs/dbraw/zinc/22/49/41/1351224941.db2.gz CKSZEFQZOFRHOO-UHFFFAOYSA-N -1 0 348.315 2.474 20 5 EEBDRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001606154434 1351278826 /nfs/dbraw/zinc/27/88/26/1351278826.db2.gz ADPWPEYEEIMIRK-UHFFFAOYSA-N -1 0 333.275 2.099 20 5 EEBDRM CO[C@@](C)(CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001606659884 1351338594 /nfs/dbraw/zinc/33/85/94/1351338594.db2.gz UIBDTQWWBOZHHY-AWEZNQCLSA-N -1 0 339.304 2.428 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001607292029 1351466122 /nfs/dbraw/zinc/46/61/22/1351466122.db2.gz SCSAIKVYPUOTSQ-AWEZNQCLSA-N -1 0 330.296 2.159 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2oncc2C(=O)[O-])c1 ZINC001607410515 1351489887 /nfs/dbraw/zinc/48/98/87/1351489887.db2.gz DPCSNIUGHPBTFW-UHFFFAOYSA-N -1 0 338.297 2.360 20 5 EEBDRM CSc1cccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC001607412037 1351490539 /nfs/dbraw/zinc/49/05/39/1351490539.db2.gz WZJCLLWMECCEJY-YTWAJWBKSA-N -1 0 336.369 2.156 20 5 EEBDRM Cc1c(NC(=O)[C@@H](C)c2cnn(C)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607538010 1351512167 /nfs/dbraw/zinc/51/21/67/1351512167.db2.gz FYRVCNNGRWYAKK-QMMMGPOBSA-N -1 0 332.316 2.077 20 5 EEBDRM Cc1c(NC(=O)C2(C(=O)[O-])CC2)cc(Br)cc1[N+](=O)[O-] ZINC001607539307 1351512674 /nfs/dbraw/zinc/51/26/74/1351512674.db2.gz CTJXLRMKLLOPFH-UHFFFAOYSA-N -1 0 343.133 2.469 20 5 EEBDRM Cc1c(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607541496 1351512774 /nfs/dbraw/zinc/51/27/74/1351512774.db2.gz WZIAKJZIKWDXIC-JMJZKYOTSA-N -1 0 332.312 2.155 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](C)Cn2ccnc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607542677 1351513234 /nfs/dbraw/zinc/51/32/34/1351513234.db2.gz IQSRGMGWZBEAQA-VIFPVBQESA-N -1 0 347.331 2.008 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Oc2ccc3c(c2)CN(C)C3=O)n1 ZINC001607587943 1351520263 /nfs/dbraw/zinc/52/02/63/1351520263.db2.gz UXKMYOOCDCWPNE-UHFFFAOYSA-N -1 0 343.295 2.374 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(Cc2ccccc2)C[C@@H](C)O)n1 ZINC001607588886 1351520427 /nfs/dbraw/zinc/52/04/27/1351520427.db2.gz FUASUIXXXFZDPN-GFCCVEGCSA-N -1 0 345.355 2.384 20 5 EEBDRM Cc1cccc(OC[C@H](O)COc2cccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001607859107 1351573579 /nfs/dbraw/zinc/57/35/79/1351573579.db2.gz ORSRFVXKCLCDNM-LBPRGKRZSA-N -1 0 347.323 2.420 20 5 EEBDRM Nc1c(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)cccc1[N+](=O)[O-] ZINC001608269225 1351659249 /nfs/dbraw/zinc/65/92/49/1351659249.db2.gz UJSGGCDXTPSCHB-UHFFFAOYSA-N -1 0 341.323 2.468 20 5 EEBDRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001608393680 1351686095 /nfs/dbraw/zinc/68/60/95/1351686095.db2.gz ZUNGHCBVJPZLNI-GXSJLCMTSA-N -1 0 342.735 2.000 20 5 EEBDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000798898172 1371619592 /nfs/dbraw/zinc/61/95/92/1371619592.db2.gz WWTFCJFKKCFXGQ-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC ZINC000839060021 1372886376 /nfs/dbraw/zinc/88/63/76/1372886376.db2.gz XPDGMVSDCULCRO-JTQLQIEISA-N -1 0 343.405 2.268 20 5 EEBDRM CN(CCc1cnccn1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001606140973 1404766567 /nfs/dbraw/zinc/76/65/67/1404766567.db2.gz JBYYHZQQYGTHJJ-UHFFFAOYSA-N -1 0 336.735 2.415 20 5 EEBDRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1 ZINC000112160861 775423903 /nfs/dbraw/zinc/42/39/03/775423903.db2.gz HZRODFREXSVSKW-UHFFFAOYSA-N -1 0 340.382 2.337 20 5 EEBDRM CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000843950266 788750454 /nfs/dbraw/zinc/75/04/54/788750454.db2.gz DXMUEPWIOIVIKB-SFHVURJKSA-N -1 0 342.351 2.206 20 5 EEBDRM CC1([C@H]2CCCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)C2)OCCO1 ZINC000844207760 788926091 /nfs/dbraw/zinc/92/60/91/788926091.db2.gz FLDVULSPVRRVDO-NSHDSACASA-N -1 0 336.344 2.272 20 5 EEBDRM Cc1cc([C@](C)(O)CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c(C)o1 ZINC000844209993 788927392 /nfs/dbraw/zinc/92/73/92/788927392.db2.gz NAKBIVLMILMQKO-OAHLLOKOSA-N -1 0 335.316 2.217 20 5 EEBDRM O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780393990 789992436 /nfs/dbraw/zinc/99/24/36/789992436.db2.gz DRYBPGXWFJMENA-UHFFFAOYSA-N -1 0 340.295 2.444 20 5 EEBDRM COC(=O)Cc1ccc(O)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176677447 798524775 /nfs/dbraw/zinc/52/47/75/798524775.db2.gz WNXDSVXLLFFNQL-UHFFFAOYSA-N -1 0 346.295 2.458 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc3c(c2)CC(=O)NC3)cc([N+](=O)[O-])c1 ZINC001176679884 798526054 /nfs/dbraw/zinc/52/60/54/798526054.db2.gz RKIPPKYNEVEQJI-UHFFFAOYSA-N -1 0 327.296 2.209 20 5 EEBDRM CC[C@@](NC(=O)c1cc([N+](=O)[O-])cn1C)(C(=O)[O-])c1ccccc1 ZINC000584831017 939800166 /nfs/dbraw/zinc/80/01/66/939800166.db2.gz FMAOKJLMGCBVAK-INIZCTEOSA-N -1 0 331.328 2.053 20 5 EEBDRM CCOc1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001592426664 951330624 /nfs/dbraw/zinc/33/06/24/951330624.db2.gz XEWAHWOEKUZHFZ-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001595119097 951961609 /nfs/dbraw/zinc/96/16/09/951961609.db2.gz MHVWUZSAJJUUCM-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001595164082 952201227 /nfs/dbraw/zinc/20/12/27/952201227.db2.gz AEUBPAORPNHYRM-SNVBAGLBSA-N -1 0 326.736 2.114 20 5 EEBDRM Cn1ncc(C(=O)[O-])c1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001594578994 955947665 /nfs/dbraw/zinc/94/76/65/955947665.db2.gz KEWRIBVEQGVKDI-UHFFFAOYSA-N -1 0 330.344 2.191 20 5 EEBDRM Nc1c(C(=O)N2CCC(C(=O)[O-])CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001594659068 956515555 /nfs/dbraw/zinc/51/55/55/956515555.db2.gz KDCDIVYBTVDOBU-UHFFFAOYSA-N -1 0 343.339 2.267 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001589189193 956587963 /nfs/dbraw/zinc/58/79/63/956587963.db2.gz XIBTUSJMNCIQBP-AWEZNQCLSA-N -1 0 344.270 2.276 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC001593976044 956665230 /nfs/dbraw/zinc/66/52/30/956665230.db2.gz UHAQYXSWAHGWIN-AWEZNQCLSA-N -1 0 346.286 2.124 20 5 EEBDRM CCN(CCC(=O)[O-])c1ncc([N+](=O)[O-])c(C)c1Br ZINC000165660613 959289133 /nfs/dbraw/zinc/28/91/33/959289133.db2.gz GGPACRVEATXRHD-UHFFFAOYSA-N -1 0 332.154 2.362 20 5 EEBDRM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574306338 960737914 /nfs/dbraw/zinc/73/79/14/960737914.db2.gz GEHBKYFXFWKYJC-UWVGGRQHSA-N -1 0 340.307 2.251 20 5 EEBDRM Cc1noc(COC(=O)C2(C(=O)[O-])CCCCCC2)c1[N+](=O)[O-] ZINC001605449683 973533412 /nfs/dbraw/zinc/53/34/12/973533412.db2.gz JZYPMRCLFBHKPL-UHFFFAOYSA-N -1 0 326.305 2.360 20 5 EEBDRM CC(C)n1ccnc1C(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592142911 976992657 /nfs/dbraw/zinc/99/26/57/976992657.db2.gz UWBPKOKBDJLOAH-UHFFFAOYSA-N -1 0 333.300 2.332 20 5 EEBDRM C[C@@H](CC(N)=O)c1ccc(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001592451191 978133400 /nfs/dbraw/zinc/13/34/00/978133400.db2.gz ALCDWRDFJOSIIE-VIFPVBQESA-N -1 0 344.327 2.411 20 5 EEBDRM Cc1cc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000849347777 979498981 /nfs/dbraw/zinc/49/89/81/979498981.db2.gz AMBLSGRLEDPJEA-NHAGDIPZSA-N -1 0 340.339 2.127 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000864162982 979781874 /nfs/dbraw/zinc/78/18/74/979781874.db2.gz PXXPNKDKOXOPMN-KOLCDFICSA-N -1 0 336.369 2.365 20 5 EEBDRM CC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595441008 981078392 /nfs/dbraw/zinc/07/83/92/981078392.db2.gz MLQURWUWZANDID-SKDRFNHKSA-N -1 0 342.373 2.150 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001594902564 982363924 /nfs/dbraw/zinc/36/39/24/982363924.db2.gz MYURWKSLGCHJTL-AMIZOPFISA-N -1 0 344.751 2.243 20 5 EEBDRM CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001595894580 982930689 /nfs/dbraw/zinc/93/06/89/982930689.db2.gz LYSJSPPQKKDTKS-UHFFFAOYSA-N -1 0 342.373 2.148 20 5 EEBDRM CCOC(=O)c1cc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC001596706107 984906970 /nfs/dbraw/zinc/90/69/70/984906970.db2.gz HOEITGZFHLXLCE-UONOGXRCSA-N -1 0 348.355 2.319 20 5 EEBDRM C[C@@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001599932365 985338547 /nfs/dbraw/zinc/33/85/47/985338547.db2.gz NYPYCVPQDKKLHF-BDAKNGLRSA-N -1 0 339.304 2.205 20 5 EEBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC001589638662 987561479 /nfs/dbraw/zinc/56/14/79/987561479.db2.gz RQAYUAULIONQSP-UHFFFAOYSA-N -1 0 344.327 2.187 20 5 EEBDRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC001589657313 987630849 /nfs/dbraw/zinc/63/08/49/987630849.db2.gz ZCEQUVBOJFAFKR-UHFFFAOYSA-N -1 0 325.302 2.259 20 5 EEBDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001589701068 987795556 /nfs/dbraw/zinc/79/55/56/987795556.db2.gz TWTWZSNDKSRVBQ-ZDUSSCGKSA-N -1 0 338.360 2.369 20 5 EEBDRM CSc1cccc(C(=O)NCc2ccc(C(=O)[O-])nc2)c1[N+](=O)[O-] ZINC001599822422 988537183 /nfs/dbraw/zinc/53/71/83/988537183.db2.gz QSOZMSQSBJFAEZ-UHFFFAOYSA-N -1 0 347.352 2.340 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001597943479 989922327 /nfs/dbraw/zinc/92/23/27/989922327.db2.gz WPLMXUFKNITHTA-UHFFFAOYSA-N -1 0 330.344 2.381 20 5 EEBDRM CC(C)(/C=C\Cl)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001590615569 990290776 /nfs/dbraw/zinc/29/07/76/990290776.db2.gz XWTPJPZJBRBPNC-WAYWQWQTSA-N -1 0 348.764 2.102 20 5 EEBDRM CC(C)(CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC001590749015 990547018 /nfs/dbraw/zinc/54/70/18/990547018.db2.gz BKPQOOAVLXBEEX-UHFFFAOYSA-N -1 0 349.387 2.426 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1Cn1nc(C(=O)[O-])c2c1CCCC2 ZINC001599622241 994100469 /nfs/dbraw/zinc/10/04/69/994100469.db2.gz FFCHDMYXOFEEFT-UHFFFAOYSA-N -1 0 331.328 2.425 20 5 EEBDRM COc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC001599640557 994351915 /nfs/dbraw/zinc/35/19/15/994351915.db2.gz BVQYUWOUPIXNDT-DRZSPHRISA-N -1 0 348.355 2.461 20 5 EEBDRM COc1cccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1[N+](=O)[O-] ZINC001599641347 994363216 /nfs/dbraw/zinc/36/32/16/994363216.db2.gz YUBVRBFEIFKLFZ-LBPRGKRZSA-N -1 0 342.307 2.432 20 5 EEBDRM CC1(C)OC[C@H]2C[C@]21C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593977487 997176980 /nfs/dbraw/zinc/17/69/80/997176980.db2.gz PLAHACOPMQLUBG-BDJLRTHQSA-N -1 0 335.312 2.151 20 5 EEBDRM COC(=O)c1c(Cl)c(N2CCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598915696 997460589 /nfs/dbraw/zinc/46/05/89/997460589.db2.gz HNOULSWBMKKZBD-VIFPVBQESA-N -1 0 328.708 2.088 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cc([N+](=O)[O-])cnc1C ZINC001599379019 998537083 /nfs/dbraw/zinc/53/70/83/998537083.db2.gz IBKIPQGLORVITD-UHFFFAOYSA-N -1 0 332.268 2.224 20 5 EEBDRM C[C@H]1CC(=O)CC[C@H]1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594197501 998764099 /nfs/dbraw/zinc/76/40/99/998764099.db2.gz SWPVEAQXXTZWOO-TVQRCGJNSA-N -1 0 335.312 2.342 20 5 EEBDRM CCc1cnc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000173816017 529653007 /nfs/dbraw/zinc/65/30/07/529653007.db2.gz QXHKISPTECYIQO-UHFFFAOYSA-N -1 0 345.377 2.231 20 5 EEBDRM O=C(Nc1cccc(-n2ccnn2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182129638 304006117 /nfs/dbraw/zinc/00/61/17/304006117.db2.gz BFPZJDDNEYQRRA-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000193665338 240256898 /nfs/dbraw/zinc/25/68/98/240256898.db2.gz FQXNSPUKMSMBEC-JTQLQIEISA-N -1 0 333.266 2.236 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000236765548 242349520 /nfs/dbraw/zinc/34/95/20/242349520.db2.gz QHOFQAFDGOFDHC-UHFFFAOYSA-N -1 0 335.360 2.494 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000262984713 245284953 /nfs/dbraw/zinc/28/49/53/245284953.db2.gz MZAIDANZJUBDKM-GBIKHYSHSA-N -1 0 338.385 2.255 20 5 EEBDRM COc1cc(C(=O)N(CCC(=O)[O-])CC(C)C)cc([N+](=O)[O-])c1C ZINC000263044623 245308619 /nfs/dbraw/zinc/30/86/19/245308619.db2.gz DYCCELPWSGNOAC-UHFFFAOYSA-N -1 0 338.360 2.485 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263064510 245317603 /nfs/dbraw/zinc/31/76/03/245317603.db2.gz XNXMZGMJLHRUOS-LBPRGKRZSA-N -1 0 333.344 2.248 20 5 EEBDRM CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130470593 205241713 /nfs/dbraw/zinc/24/17/13/205241713.db2.gz DVNIUPLIWKRXTG-LBPRGKRZSA-N -1 0 349.387 2.069 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)/C=C/C(C)(C)C)cc1[N+](=O)[O-] ZINC000492445677 246464824 /nfs/dbraw/zinc/46/48/24/246464824.db2.gz TZWXSGWPMIORMV-BQYQJAHWSA-N -1 0 342.373 2.011 20 5 EEBDRM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266236978 292076080 /nfs/dbraw/zinc/07/60/80/292076080.db2.gz VLTOACQQUHJXFQ-VIFPVBQESA-N -1 0 334.369 2.216 20 5 EEBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccnc2)c2cccnc21 ZINC000184967245 160022955 /nfs/dbraw/zinc/02/29/55/160022955.db2.gz HZGRGVXHWHBRND-UHFFFAOYSA-N -1 0 330.325 2.339 20 5 EEBDRM Cc1ccnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000185706822 160046658 /nfs/dbraw/zinc/04/66/58/160046658.db2.gz OGRQZEOERVEREY-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1n[nH]nc1-c1ccccc1 ZINC000189354447 160141140 /nfs/dbraw/zinc/14/11/40/160141140.db2.gz PKMDZCVTMKOVMZ-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000237756408 160224882 /nfs/dbraw/zinc/22/48/82/160224882.db2.gz SCEWKAVHGIQESL-BMIGLBTASA-N -1 0 343.339 2.369 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(-n2cccn2)ccn1 ZINC000135341970 292445411 /nfs/dbraw/zinc/44/54/11/292445411.db2.gz WPWSKKLSIWCMDN-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C(CCCNC(=O)[C@@H]1CC=CCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000343629459 161152678 /nfs/dbraw/zinc/15/26/78/161152678.db2.gz ITDFQWZBFQPXPR-GFCCVEGCSA-N -1 0 347.371 2.492 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C2CC2)c([N+](=O)[O-])c1 ZINC000359613227 164137584 /nfs/dbraw/zinc/13/75/84/164137584.db2.gz ZMKBTXDHWMDCED-UHFFFAOYSA-N -1 0 336.373 2.315 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCc2nccn2C1 ZINC000373584609 166918214 /nfs/dbraw/zinc/91/82/14/166918214.db2.gz UUVXWRSGKXDMGR-QMMMGPOBSA-N -1 0 336.735 2.351 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000287762449 274990307 /nfs/dbraw/zinc/99/03/07/274990307.db2.gz HLMRBMCNAMQURU-CYBMUJFWSA-N -1 0 348.277 2.220 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H]1C ZINC000337683223 301012482 /nfs/dbraw/zinc/01/24/82/301012482.db2.gz WSGRMXYYXOCRKU-LDYMZIIASA-N -1 0 342.373 2.068 20 5 EEBDRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000320164154 311594702 /nfs/dbraw/zinc/59/47/02/311594702.db2.gz PMONQKJGJAPBMQ-JTQLQIEISA-N -1 0 344.389 2.085 20 5 EEBDRM NC(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC000350598283 312333947 /nfs/dbraw/zinc/33/39/47/312333947.db2.gz RHFFJMFNKHLNDF-UHFFFAOYSA-N -1 0 326.268 2.116 20 5 EEBDRM COc1nc(C)cc(C)c1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436747600 314995144 /nfs/dbraw/zinc/99/51/44/314995144.db2.gz LUAPMTPIWLOGLQ-UHFFFAOYSA-N -1 0 331.328 2.251 20 5 EEBDRM COc1nc(C)cc(C)c1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436787696 314998232 /nfs/dbraw/zinc/99/82/32/314998232.db2.gz QDWNUAYPXHYQEF-UHFFFAOYSA-N -1 0 331.328 2.251 20 5 EEBDRM CCc1ccc([C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436898602 315010831 /nfs/dbraw/zinc/01/08/31/315010831.db2.gz YZVWAZJCISVEJB-HNNXBMFYSA-N -1 0 330.340 2.326 20 5 EEBDRM O=C(NC[C@@H](O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436904036 315011273 /nfs/dbraw/zinc/01/12/73/315011273.db2.gz PEKMMXVHOBKUTO-AWEZNQCLSA-N -1 0 330.340 2.024 20 5 EEBDRM CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436936701 315014139 /nfs/dbraw/zinc/01/41/39/315014139.db2.gz UZNJPAJCLGICLN-UHFFFAOYSA-N -1 0 330.296 2.301 20 5 EEBDRM COc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436950736 315015792 /nfs/dbraw/zinc/01/57/92/315015792.db2.gz CKGRUNAQFRJFGI-UHFFFAOYSA-N -1 0 332.312 2.118 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cccs1 ZINC000436959627 315016437 /nfs/dbraw/zinc/01/64/37/315016437.db2.gz DOYJSOJJAHGUPO-LBPRGKRZSA-N -1 0 336.325 2.006 20 5 EEBDRM COc1ccc2c(c1)OC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000436959747 315016792 /nfs/dbraw/zinc/01/67/92/315016792.db2.gz OAIHKBGOTBWAEL-LLVKDONJSA-N -1 0 344.323 2.043 20 5 EEBDRM COC[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436966410 315017387 /nfs/dbraw/zinc/01/73/87/315017387.db2.gz QEGZDOTZAYRWBS-AWEZNQCLSA-N -1 0 330.340 2.288 20 5 EEBDRM CC(=O)Nc1ccccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000444333556 315292291 /nfs/dbraw/zinc/29/22/91/315292291.db2.gz ZWMNUWCDCCWFAG-UHFFFAOYSA-N -1 0 329.312 2.440 20 5 EEBDRM C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@@]1(C)C(=O)[O-] ZINC000493104976 315880409 /nfs/dbraw/zinc/88/04/09/315880409.db2.gz KXCCINDAMBLHCM-FJIZPKQKSA-N -1 0 336.319 2.316 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000532008129 317834489 /nfs/dbraw/zinc/83/44/89/317834489.db2.gz FWFLRIHJMMHHBH-UHFFFAOYSA-N -1 0 347.371 2.180 20 5 EEBDRM CNc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000537484446 318018025 /nfs/dbraw/zinc/01/80/25/318018025.db2.gz MHMKNSHWMOXSCD-UHFFFAOYSA-N -1 0 335.360 2.354 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000537769988 318026627 /nfs/dbraw/zinc/02/66/27/318026627.db2.gz HJGHSZVGLJBJMO-LLVKDONJSA-N -1 0 341.323 2.292 20 5 EEBDRM CC(=O)N1CCc2c1cccc2NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000546720107 318263525 /nfs/dbraw/zinc/26/35/25/318263525.db2.gz JMPZOWDVTWMVQJ-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM COc1ccc2c(c1)CCN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000565489670 319187778 /nfs/dbraw/zinc/18/77/78/319187778.db2.gz BLHRNALAXBXFRC-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM O=C([O-])c1cnc(NC2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000565835362 319219391 /nfs/dbraw/zinc/21/93/91/319219391.db2.gz CUTXBVSABFKBQF-UHFFFAOYSA-N -1 0 349.372 2.225 20 5 EEBDRM COCCN(Cc1ccccn1)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566294738 319271134 /nfs/dbraw/zinc/27/11/34/319271134.db2.gz JNZSBHVFOBGXPR-UHFFFAOYSA-N -1 0 346.343 2.044 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000569238074 319559232 /nfs/dbraw/zinc/55/92/32/319559232.db2.gz HCTOMEFNEGSFHH-UHFFFAOYSA-N -1 0 342.373 2.022 20 5 EEBDRM CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572770549 319875979 /nfs/dbraw/zinc/87/59/79/319875979.db2.gz WZWXSCXITUWCDE-ZJUUUORDSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C([O-])c1ccc(N2CCCN(c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000572845404 319882887 /nfs/dbraw/zinc/88/28/87/319882887.db2.gz QOACPWNNVLONFJ-UHFFFAOYSA-N -1 0 342.355 2.405 20 5 EEBDRM CCc1nn(C)c(NCCOc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000574327376 320015876 /nfs/dbraw/zinc/01/58/76/320015876.db2.gz KSIMTNYSTCIAKK-UHFFFAOYSA-N -1 0 334.332 2.080 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000575045788 320082375 /nfs/dbraw/zinc/08/23/75/320082375.db2.gz QUDDOUZVACHJQN-NWDGAFQWSA-N -1 0 335.360 2.027 20 5 EEBDRM CC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000391421684 323547000 /nfs/dbraw/zinc/54/70/00/323547000.db2.gz BVHIMAUHBBDZDJ-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM O=C([O-])c1cc(N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000581075201 324181355 /nfs/dbraw/zinc/18/13/55/324181355.db2.gz WMVRONOWJYMQCA-PRHODGIISA-N -1 0 348.277 2.433 20 5 EEBDRM CC[C@@H]1C[C@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000583140829 324601367 /nfs/dbraw/zinc/60/13/67/324601367.db2.gz OGDNSNSIPFHWAS-VHSXEESVSA-N -1 0 342.373 2.102 20 5 EEBDRM COc1ccc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c(OC)n1 ZINC000514793171 448204573 /nfs/dbraw/zinc/20/45/73/448204573.db2.gz UIJKRNFUJOLNGH-UHFFFAOYSA-N -1 0 348.315 2.021 20 5 EEBDRM CO[C@@H](CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(F)(F)F ZINC000514792906 448205257 /nfs/dbraw/zinc/20/52/57/448205257.db2.gz QWTXUNWWCCBVFY-QMMMGPOBSA-N -1 0 337.254 2.376 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000326694743 465043240 /nfs/dbraw/zinc/04/32/40/465043240.db2.gz LERYQKNFVFAZEM-CQSZACIVSA-N -1 0 328.324 2.329 20 5 EEBDRM O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000075180318 462691697 /nfs/dbraw/zinc/69/16/97/462691697.db2.gz JIYAQHICBCVXTE-UHFFFAOYSA-N -1 0 332.316 2.170 20 5 EEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000007323810 462730058 /nfs/dbraw/zinc/73/00/58/462730058.db2.gz HZFHMQYADNYKNT-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM O=C(NCCc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157459271 463133778 /nfs/dbraw/zinc/13/37/78/463133778.db2.gz NKFVCHSKNNRYJD-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)cc1 ZINC000151409323 463525852 /nfs/dbraw/zinc/52/58/52/463525852.db2.gz BNJHWHBCUUMHPQ-UHFFFAOYSA-N -1 0 336.301 2.185 20 5 EEBDRM CN(Cc1nc2ccccc2n1C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164609483 463626412 /nfs/dbraw/zinc/62/64/12/463626412.db2.gz RXHXPBHGNKZUPG-UHFFFAOYSA-N -1 0 340.339 2.459 20 5 EEBDRM C[C@@H](Sc1n[nH]c(=O)[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000170085210 463675020 /nfs/dbraw/zinc/67/50/20/463675020.db2.gz IFABOYHYQLPJMU-ZCFIWIBFSA-N -1 0 334.317 2.322 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000269078646 463869022 /nfs/dbraw/zinc/86/90/22/463869022.db2.gz BWLGESFMAGBMJK-LBPRGKRZSA-N -1 0 349.387 2.376 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(C(=O)C(F)(F)F)CC1 ZINC000185741855 463871307 /nfs/dbraw/zinc/87/13/07/463871307.db2.gz DDQQWRUGLNABET-UHFFFAOYSA-N -1 0 346.261 2.284 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](OCc2ccncc2)C1 ZINC000178384433 463891205 /nfs/dbraw/zinc/89/12/05/463891205.db2.gz KUKCDLQLIDJLNQ-ZDUSSCGKSA-N -1 0 343.339 2.127 20 5 EEBDRM O=C([O-])CC[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000261908701 463896002 /nfs/dbraw/zinc/89/60/02/463896002.db2.gz PWFRXRBLRFFKFR-GFCCVEGCSA-N -1 0 336.344 2.077 20 5 EEBDRM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000279213831 464065685 /nfs/dbraw/zinc/06/56/85/464065685.db2.gz FAVITJXWBNUPHU-LLVKDONJSA-N -1 0 346.343 2.180 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000263336230 464086740 /nfs/dbraw/zinc/08/67/40/464086740.db2.gz MNGWGLZVMZYWMX-KOLCDFICSA-N -1 0 340.763 2.360 20 5 EEBDRM Cc1ccc(NC(=O)NC2(C(=O)[O-])CCSCC2)cc1[N+](=O)[O-] ZINC000579668567 468390400 /nfs/dbraw/zinc/39/04/00/468390400.db2.gz MFCCKIDVZYNIMH-UHFFFAOYSA-N -1 0 339.373 2.375 20 5 EEBDRM O=C([O-])C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000238100895 464433529 /nfs/dbraw/zinc/43/35/29/464433529.db2.gz MXAMITNJEQYHCV-UHFFFAOYSA-N -1 0 335.360 2.110 20 5 EEBDRM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175451122 464553696 /nfs/dbraw/zinc/55/36/96/464553696.db2.gz SBVGVKLKJWAQOY-XMMPIXPASA-N -1 0 348.380 2.310 20 5 EEBDRM CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175451104 464553717 /nfs/dbraw/zinc/55/37/17/464553717.db2.gz SBVGVKLKJWAQOY-DEOSSOPVSA-N -1 0 348.380 2.310 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000191048419 464768476 /nfs/dbraw/zinc/76/84/76/464768476.db2.gz VCCNLEYEBGXMLK-INIZCTEOSA-N -1 0 329.312 2.080 20 5 EEBDRM O=C(Nc1cccnc1-n1cccn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183382950 464858604 /nfs/dbraw/zinc/85/86/04/464858604.db2.gz WBNYECFSXVXHRT-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000337651303 465495550 /nfs/dbraw/zinc/49/55/50/465495550.db2.gz LJILJVMJSCREBP-INIZCTEOSA-N -1 0 345.330 2.226 20 5 EEBDRM Cc1nc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])CCCC2)no1 ZINC000184687176 465018527 /nfs/dbraw/zinc/01/85/27/465018527.db2.gz HLOLYSBBBMZKKT-UHFFFAOYSA-N -1 0 332.316 2.191 20 5 EEBDRM CCc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000192995239 465021258 /nfs/dbraw/zinc/02/12/58/465021258.db2.gz MLKSRGLDQQNBKH-UHFFFAOYSA-N -1 0 346.343 2.426 20 5 EEBDRM C[C@H](O)[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000570047129 468583866 /nfs/dbraw/zinc/58/38/66/468583866.db2.gz QIIWFHXVRPIEDB-IUCAKERBSA-N -1 0 328.752 2.187 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000593922110 468435465 /nfs/dbraw/zinc/43/54/65/468435465.db2.gz JJOJYCMDSQOLHM-SECBINFHSA-N -1 0 342.373 2.261 20 5 EEBDRM COc1ccc2c(c1)OC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000371138248 465614840 /nfs/dbraw/zinc/61/48/40/465614840.db2.gz XZXFMKZOTXCBRO-LLVKDONJSA-N -1 0 344.323 2.499 20 5 EEBDRM Cc1cccc2c1OC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000366327043 465655838 /nfs/dbraw/zinc/65/58/38/465655838.db2.gz LHSQCMRGWNICOY-CYBMUJFWSA-N -1 0 328.324 2.342 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)c([N+](=O)[O-])c1 ZINC000357344514 465967103 /nfs/dbraw/zinc/96/71/03/465967103.db2.gz WNDIFNSFFJOZHX-UHFFFAOYSA-N -1 0 336.373 2.315 20 5 EEBDRM Cc1nc(C=CC=Cc2ccccc2[N+](=O)[O-])[nH]c(=O)c1CC(=O)[O-] ZINC000349107462 465972033 /nfs/dbraw/zinc/97/20/33/465972033.db2.gz JXWAPPXYAPNZKU-DLYLGUBQSA-N -1 0 341.323 2.340 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000362746287 465996102 /nfs/dbraw/zinc/99/61/02/465996102.db2.gz UGGZTAQGOUETNR-LBPRGKRZSA-N -1 0 346.314 2.407 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCOc2cc(O)ccc2C1 ZINC000367325074 466267273 /nfs/dbraw/zinc/26/72/73/466267273.db2.gz AUYHJSLTXBFVOS-UHFFFAOYSA-N -1 0 330.296 2.041 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1n[nH]c2ccc(F)cc21 ZINC000361951446 466433640 /nfs/dbraw/zinc/43/36/40/466433640.db2.gz JKKQJGURGMMOME-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccn(CC(F)F)n1 ZINC000362002824 466474865 /nfs/dbraw/zinc/47/48/65/466474865.db2.gz SWAXYCXTSUCMCS-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])c(Cl)c1 ZINC000347361154 466589550 /nfs/dbraw/zinc/58/95/50/466589550.db2.gz VOYRIQGDPJFZAW-UHFFFAOYSA-N -1 0 327.749 2.174 20 5 EEBDRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccncc1[N+](=O)[O-] ZINC000347367296 466594335 /nfs/dbraw/zinc/59/43/35/466594335.db2.gz YUZUDOXCZFMKEZ-UHFFFAOYSA-N -1 0 327.749 2.174 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000347372581 466595208 /nfs/dbraw/zinc/59/52/08/466595208.db2.gz NIRDFRUZTQTHOM-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM C[C@@H]1Oc2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2NC1=O ZINC000427909355 467185500 /nfs/dbraw/zinc/18/55/00/467185500.db2.gz SOVJIUALXVPAKJ-QMMMGPOBSA-N -1 0 343.295 2.272 20 5 EEBDRM O=C1CCOc2c([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cccc21 ZINC000378604699 467352502 /nfs/dbraw/zinc/35/25/02/467352502.db2.gz DHFLEVVBHIULJA-UHFFFAOYSA-N -1 0 348.336 2.361 20 5 EEBDRM COc1ccc(COCCNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436763487 467553538 /nfs/dbraw/zinc/55/35/38/467553538.db2.gz GXTYQSIAAUQGED-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM C[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000493204649 467862375 /nfs/dbraw/zinc/86/23/75/467862375.db2.gz JQGWDDKJEUTTDA-CQCDVISTSA-N -1 0 336.319 2.459 20 5 EEBDRM O=C([O-])c1cc(N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000516773435 468045906 /nfs/dbraw/zinc/04/59/06/468045906.db2.gz UEVDOOMKUBFLNY-KCJUWKMLSA-N -1 0 348.277 2.290 20 5 EEBDRM CC[C@H](C)C[C@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000567901526 468234301 /nfs/dbraw/zinc/23/43/01/468234301.db2.gz MBCZBKBKPDGPDI-JQWIXIFHSA-N -1 0 338.360 2.152 20 5 EEBDRM COCC1(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CCCCC1 ZINC000578656344 468234448 /nfs/dbraw/zinc/23/44/48/468234448.db2.gz RIOGIWRPOUPWHP-UHFFFAOYSA-N -1 0 337.376 3.005 20 5 EEBDRM C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000582905305 468614745 /nfs/dbraw/zinc/61/47/45/468614745.db2.gz KTCHDLWLZLELIK-JOYOIKCWSA-N -1 0 340.763 2.360 20 5 EEBDRM COC1CCC(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000570399818 468634611 /nfs/dbraw/zinc/63/46/11/468634611.db2.gz LDPBBVZQMNJWKB-UHFFFAOYSA-N -1 0 337.376 3.004 20 5 EEBDRM CCn1ncc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594730581 468667360 /nfs/dbraw/zinc/66/73/60/468667360.db2.gz OKFWWVIAXUDXSC-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM CC(C)OCCCC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874595 468672696 /nfs/dbraw/zinc/67/26/96/468672696.db2.gz JOKKVYMFGOTFJY-INIZCTEOSA-N -1 0 338.360 2.216 20 5 EEBDRM Cc1cc(N2CC[C@H](c3cnn(C)c3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571093872 468738830 /nfs/dbraw/zinc/73/88/30/468738830.db2.gz VBLFUVAOHKNQEH-NSHDSACASA-N -1 0 330.344 2.329 20 5 EEBDRM CCN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000592779205 468783346 /nfs/dbraw/zinc/78/33/46/468783346.db2.gz OCPHXUWSZYGKRX-SECBINFHSA-N -1 0 327.768 2.120 20 5 EEBDRM O=C([O-])c1ccnc(N2CCCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000571766718 468837164 /nfs/dbraw/zinc/83/71/64/468837164.db2.gz YWYHASQERYHREN-UHFFFAOYSA-N -1 0 342.355 2.405 20 5 EEBDRM O=C([O-])Cc1csc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000610839170 469086115 /nfs/dbraw/zinc/08/61/15/469086115.db2.gz RAOOPTAUAXRLPO-UHFFFAOYSA-N -1 0 346.324 2.412 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccnn1C ZINC000616021753 469354746 /nfs/dbraw/zinc/35/47/46/469354746.db2.gz GBRQXDMAEDSJGM-GFCCVEGCSA-N -1 0 332.360 2.204 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccnn1C ZINC000616021664 469355202 /nfs/dbraw/zinc/35/52/02/469355202.db2.gz ADNAJZFLBPYELX-CQSZACIVSA-N -1 0 332.360 2.204 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599859819 469395026 /nfs/dbraw/zinc/39/50/26/469395026.db2.gz GQHFLEDLUKJSSG-COPLHBTASA-N -1 0 335.360 2.408 20 5 EEBDRM O=C(Nc1ccccc1-n1cncn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612522658 469485896 /nfs/dbraw/zinc/48/58/96/469485896.db2.gz MNQZZVZYYRUZJG-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000619507305 469628656 /nfs/dbraw/zinc/62/86/56/469628656.db2.gz BWQXUMLEQPPDJP-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM CC(C)c1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000187038777 528459760 /nfs/dbraw/zinc/45/97/60/528459760.db2.gz WZCWFLCNBLCWFU-UHFFFAOYSA-N -1 0 330.297 2.041 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000236726418 535051317 /nfs/dbraw/zinc/05/13/17/535051317.db2.gz ZFURMEHVCMLNDC-UHFFFAOYSA-N -1 0 337.376 2.499 20 5 EEBDRM Cc1cc(CN(C)c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])no1 ZINC000738383003 578012006 /nfs/dbraw/zinc/01/20/06/578012006.db2.gz RMCPSGRGVYJIEK-UHFFFAOYSA-N -1 0 336.260 2.134 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2csc(-c3ccoc3)n2)c1 ZINC000740090095 576358793 /nfs/dbraw/zinc/35/87/93/576358793.db2.gz RYNJTGCFVGTMHX-UHFFFAOYSA-N -1 0 347.308 2.220 20 5 EEBDRM O=C([O-])CCSCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000739751657 576747105 /nfs/dbraw/zinc/74/71/05/576747105.db2.gz ILNQZCGEQRBFFW-UHFFFAOYSA-N -1 0 332.765 2.186 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000732906785 577196810 /nfs/dbraw/zinc/19/68/10/577196810.db2.gz PWNXVBUHWNUSSV-LLVKDONJSA-N -1 0 328.390 2.020 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)cs1 ZINC000768861730 577564492 /nfs/dbraw/zinc/56/44/92/577564492.db2.gz BFVNIMPTTRNFFK-UHFFFAOYSA-N -1 0 342.333 2.473 20 5 EEBDRM CON(C)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000770482747 577597249 /nfs/dbraw/zinc/59/72/49/577597249.db2.gz CNHRONMWCDEATP-UHFFFAOYSA-N -1 0 345.311 2.186 20 5 EEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C2(C)CC2)cc1[N+](=O)[O-] ZINC000761005603 577674042 /nfs/dbraw/zinc/67/40/42/577674042.db2.gz QKUWUXJTMKXWLZ-UHFFFAOYSA-N -1 0 332.765 2.162 20 5 EEBDRM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cccc([N+](=O)[O-])c1[O-] ZINC000763224832 577717178 /nfs/dbraw/zinc/71/71/78/577717178.db2.gz PUMOQYJJJAHOSD-CDMKHQONSA-N -1 0 340.426 2.410 20 5 EEBDRM CC[C@@H](SC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000747197799 577940739 /nfs/dbraw/zinc/94/07/39/577940739.db2.gz ORSIJIVUJMYTDH-GFCCVEGCSA-N -1 0 346.430 2.158 20 5 EEBDRM Cc1nc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cn1C ZINC000750567906 577995432 /nfs/dbraw/zinc/99/54/32/577995432.db2.gz HLZHJSJWKJOOOM-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM O=C([O-])CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000738602843 578020879 /nfs/dbraw/zinc/02/08/79/578020879.db2.gz SGOMIOLGYYAHHK-UHFFFAOYSA-N -1 0 343.133 2.047 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@H]2c2ncon2)cc([N+](=O)[O-])c1 ZINC000738668908 578023318 /nfs/dbraw/zinc/02/33/18/578023318.db2.gz IBUTYDPPXTVTSS-LBPRGKRZSA-N -1 0 346.299 2.043 20 5 EEBDRM Cn1ncc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C(F)F ZINC000739060585 578036868 /nfs/dbraw/zinc/03/68/68/578036868.db2.gz YHNSWQZOSBWWOA-UHFFFAOYSA-N -1 0 340.242 2.216 20 5 EEBDRM O=C([O-])[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000739329364 578048669 /nfs/dbraw/zinc/04/86/69/578048669.db2.gz QZAGEKJVDBTLEW-OAHLLOKOSA-N -1 0 349.270 2.482 20 5 EEBDRM O=C([O-])N1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000739385083 578051431 /nfs/dbraw/zinc/05/14/31/578051431.db2.gz BZDLROVDMCYIST-SNVBAGLBSA-N -1 0 333.300 2.213 20 5 EEBDRM O=C([O-])N1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000739385537 578051485 /nfs/dbraw/zinc/05/14/85/578051485.db2.gz FTEXNZHWZJOYQG-SECBINFHSA-N -1 0 327.724 2.120 20 5 EEBDRM O=C([O-])COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000739825482 578069178 /nfs/dbraw/zinc/06/91/78/578069178.db2.gz CAEZMBZSHPZZSR-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C([O-])c1cc(F)ccc1Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000740077190 578079851 /nfs/dbraw/zinc/07/98/51/578079851.db2.gz GTCXVXLFYNAXRT-UHFFFAOYSA-N -1 0 343.270 2.190 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c(OC(F)F)c1 ZINC000740156181 578083235 /nfs/dbraw/zinc/08/32/35/578083235.db2.gz HITQSXCSJHJTBG-UHFFFAOYSA-N -1 0 341.226 2.475 20 5 EEBDRM CC(C)(C)n1nccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736310421 578194771 /nfs/dbraw/zinc/19/47/71/578194771.db2.gz NQBZXERSYWAVRC-UHFFFAOYSA-N -1 0 332.316 2.497 20 5 EEBDRM C[C@@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](C)O ZINC000736679002 578217722 /nfs/dbraw/zinc/21/77/22/578217722.db2.gz YKVNGWBQDJPHCJ-SFYZADRCSA-N -1 0 327.293 2.020 20 5 EEBDRM CNc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2O)cc1[N+](=O)[O-] ZINC000737561668 578264280 /nfs/dbraw/zinc/26/42/80/578264280.db2.gz IXTMEQHSLJUJKO-UHFFFAOYSA-N -1 0 331.284 2.293 20 5 EEBDRM COc1ccc(CC(=O)Oc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000737983601 578275319 /nfs/dbraw/zinc/27/53/19/578275319.db2.gz CIWPVCMSPCHWTE-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM O=C([O-])C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000821511321 598121735 /nfs/dbraw/zinc/12/17/35/598121735.db2.gz HJNPSMNRLVSODG-UHFFFAOYSA-N -1 0 330.287 2.493 20 5 EEBDRM O=C([O-])c1cccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000821548418 598142998 /nfs/dbraw/zinc/14/29/98/598142998.db2.gz RTBXDRJLKDOASG-UHFFFAOYSA-N -1 0 326.308 2.492 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)ccc1F ZINC000013075192 601203286 /nfs/dbraw/zinc/20/32/86/601203286.db2.gz MIAMCRDNIAWVSX-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM C[C@H](CO)Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000827518119 601209004 /nfs/dbraw/zinc/20/90/04/601209004.db2.gz YMMJMQGPDOBFBD-SNVBAGLBSA-N -1 0 344.323 2.317 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000828784993 601304564 /nfs/dbraw/zinc/30/45/64/601304564.db2.gz XIPMRKALCBUGRM-UHFFFAOYSA-N -1 0 348.359 2.094 20 5 EEBDRM C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(C(=O)[O-])o1 ZINC000827809920 601463617 /nfs/dbraw/zinc/46/36/17/601463617.db2.gz JNBCYZCQIGCYCB-MRVPVSSYSA-N -1 0 337.288 2.122 20 5 EEBDRM CC[C@H](NC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000828944117 601549756 /nfs/dbraw/zinc/54/97/56/601549756.db2.gz XGDWXQDVPVZILM-GDLCADMTSA-N -1 0 335.360 2.408 20 5 EEBDRM CO[C@@H]1C[C@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000831532631 601830207 /nfs/dbraw/zinc/83/02/07/601830207.db2.gz WHDUXODMCLBJKQ-WDEREUQCSA-N -1 0 339.304 2.427 20 5 EEBDRM NC(=O)[C@@H]1CCCC[C@@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000833078773 602239817 /nfs/dbraw/zinc/23/98/17/602239817.db2.gz AIRPDJGABSXKGH-OWVOXGNYSA-N -1 0 333.344 2.149 20 5 EEBDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000824136320 603715541 /nfs/dbraw/zinc/71/55/41/603715541.db2.gz KHXHLVSURJUXRX-LLVKDONJSA-N -1 0 329.740 2.157 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2csc3nccn23)cc([N+](=O)[O-])c1 ZINC000833119248 604281406 /nfs/dbraw/zinc/28/14/06/604281406.db2.gz GHHNGASSRMEUJH-UHFFFAOYSA-N -1 0 346.324 2.183 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000827011309 604451436 /nfs/dbraw/zinc/45/14/36/604451436.db2.gz NVYDNAMTCVLHDR-LBPRGKRZSA-N -1 0 344.751 2.198 20 5 EEBDRM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833618277 605191107 /nfs/dbraw/zinc/19/11/07/605191107.db2.gz NCEJAQSBNHJBJU-GXFFZTMASA-N -1 0 347.371 2.352 20 5 EEBDRM CN(CC(=O)NCc1cccs1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833691780 605193890 /nfs/dbraw/zinc/19/38/90/605193890.db2.gz IFOSJMMFJFRTND-UHFFFAOYSA-N -1 0 349.368 2.107 20 5 EEBDRM C/C(=C\COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000833384016 605460498 /nfs/dbraw/zinc/46/04/98/605460498.db2.gz QDAUUMSTQFZCER-QPJJXVBHSA-N -1 0 331.227 2.384 20 5 EEBDRM CN1CCc2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC000120127142 674647155 /nfs/dbraw/zinc/64/71/55/674647155.db2.gz SQGDRHOOURFKDB-UHFFFAOYSA-N -1 0 339.398 2.449 20 5 EEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2nncs2)cc1[N+](=O)[O-] ZINC000160588720 676350067 /nfs/dbraw/zinc/35/00/67/676350067.db2.gz JBYSJVFLGFDMHZ-UHFFFAOYSA-N -1 0 334.766 2.209 20 5 EEBDRM CCCn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000174746815 683591252 /nfs/dbraw/zinc/59/12/52/683591252.db2.gz NPYDQURSAIGABA-UHFFFAOYSA-N -1 0 340.361 2.011 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)nc2)ccc1[O-] ZINC000222962877 1190601536 /nfs/dbraw/zinc/60/15/36/1190601536.db2.gz ZONPAFODHAPAOR-UHFFFAOYSA-N -1 0 329.721 2.150 20 5 EEBDRM COc1cc([C@H]2Nc3ccc(C)cc3C(=O)N2)cc([N+](=O)[O-])c1[O-] ZINC000877863004 1200141776 /nfs/dbraw/zinc/14/17/76/1200141776.db2.gz CJMGKLQLRJWFGN-HNNXBMFYSA-N -1 0 329.312 2.472 20 5 EEBDRM CN(C)C(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779657224 1210711496 /nfs/dbraw/zinc/71/14/96/1210711496.db2.gz YLNAKPGPQRBWFF-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM CCNC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000779665451 1210736762 /nfs/dbraw/zinc/73/67/62/1210736762.db2.gz CDADPYTYLOVFQG-UHFFFAOYSA-N -1 0 330.296 2.269 20 5 EEBDRM O=C(c1c([O-])cccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119103326 1229450219 /nfs/dbraw/zinc/45/02/19/1229450219.db2.gz HOXSPQSZWZIFKJ-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM Cc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)sc1C(=O)[O-] ZINC000900931966 1235014555 /nfs/dbraw/zinc/01/45/55/1235014555.db2.gz ALGCJWSHJYLQKP-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C(=O)[O-])O1 ZINC000901908745 1236607842 /nfs/dbraw/zinc/60/78/42/1236607842.db2.gz DOSUDBWSPLMLOC-PRHODGIISA-N -1 0 348.277 2.288 20 5 EEBDRM CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886596 1277380453 /nfs/dbraw/zinc/38/04/53/1277380453.db2.gz ZQYAHMBQALSGDY-DTWKUNHWSA-N -1 0 332.353 2.221 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000115924711 1294038884 /nfs/dbraw/zinc/03/88/84/1294038884.db2.gz BEAXXBFVGKHUJB-UHFFFAOYSA-N -1 0 326.374 2.288 20 5 EEBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c([O-])c1 ZINC001216563974 1297216461 /nfs/dbraw/zinc/21/64/61/1297216461.db2.gz QPQCIYJIDRTOFO-UHFFFAOYSA-N -1 0 347.218 2.460 20 5 EEBDRM O=c1ncc([N+](=O)[O-])c(OC[C@H]2CCC(c3ccccc3)=NO2)[n-]1 ZINC001226335149 1301363579 /nfs/dbraw/zinc/36/35/79/1301363579.db2.gz DNNLARCMOUOVEU-LLVKDONJSA-N -1 0 330.300 2.053 20 5 EEBDRM CCC[C@@H](C)[C@@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226650092 1301493848 /nfs/dbraw/zinc/49/38/48/1301493848.db2.gz PFLQCJREBFCVOP-RKDXNWHRSA-N -1 0 327.337 2.471 20 5 EEBDRM O=[N+]([O-])c1c[n+]([O-])ccc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001229451077 1302787042 /nfs/dbraw/zinc/78/70/42/1302787042.db2.gz BMWBZXZHTBRKNY-HNNXBMFYSA-N -1 0 330.252 2.417 20 5 EEBDRM CCOC(=O)[C@@H]1CCC[C@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231076944 1303614054 /nfs/dbraw/zinc/61/40/54/1303614054.db2.gz QEDWIJHDNNRHEI-SFYZADRCSA-N -1 0 345.739 2.245 20 5 EEBDRM CCc1occc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000797553919 1304772279 /nfs/dbraw/zinc/77/22/79/1304772279.db2.gz CQUROKXPBBJIRC-UHFFFAOYSA-N -1 0 338.341 2.177 20 5 EEBDRM C[C@H](NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001118788437 1308941992 /nfs/dbraw/zinc/94/19/92/1308941992.db2.gz LIAVVXHSYNXANO-GZMMTYOYSA-N -1 0 343.286 2.160 20 5 EEBDRM C[C@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000835028568 1314894230 /nfs/dbraw/zinc/89/42/30/1314894230.db2.gz MMDVQWUYAXJOIM-IINYFYTJSA-N -1 0 326.374 2.226 20 5 EEBDRM CCC1(C(=O)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000842403836 1315698004 /nfs/dbraw/zinc/69/80/04/1315698004.db2.gz ISILKZBQHSCTQE-UHFFFAOYSA-N -1 0 326.374 2.039 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001608493791 1351703965 /nfs/dbraw/zinc/70/39/65/1351703965.db2.gz MRUYPOMCMHDVAO-CCCLYZFWSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)CSc2cccc([N+](=O)[O-])c2)n1 ZINC001608353942 1351677247 /nfs/dbraw/zinc/67/72/47/1351677247.db2.gz ANLDAMUTMRUYRZ-UHFFFAOYSA-N -1 0 333.325 2.419 20 5 EEBDRM O=C([O-])CC1(COC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001608680734 1351740730 /nfs/dbraw/zinc/74/07/30/1351740730.db2.gz QGWZZVOXKDFXGD-UHFFFAOYSA-N -1 0 329.255 2.214 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC001608754490 1351756063 /nfs/dbraw/zinc/75/60/63/1351756063.db2.gz IZNJQPDVZWVDNY-CYBMUJFWSA-N -1 0 347.371 2.036 20 5 EEBDRM O=C([O-])Cc1ccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001608776465 1351760859 /nfs/dbraw/zinc/76/08/59/1351760859.db2.gz MWYJLMJKZWIHMG-UHFFFAOYSA-N -1 0 332.287 2.291 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](C2OCCO2)C1 ZINC001608863264 1351780831 /nfs/dbraw/zinc/78/08/31/1351780831.db2.gz ZFNGJSKQZNSXSQ-QMMMGPOBSA-N -1 0 342.735 2.146 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC001608871309 1351782556 /nfs/dbraw/zinc/78/25/56/1351782556.db2.gz NWLBBDNHTFHYAW-UHFFFAOYSA-N -1 0 342.263 2.084 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CC(=O)c3ccccc3O2)n1 ZINC001608915182 1351793326 /nfs/dbraw/zinc/79/33/26/1351793326.db2.gz IGNQJKBBDWZASW-SECBINFHSA-N -1 0 343.295 2.134 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3ccccn3)C2)n1 ZINC001608915020 1351793361 /nfs/dbraw/zinc/79/33/61/1351793361.db2.gz YXNUHOGVTJNXFI-NSHDSACASA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1cnc(N2CCCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001608974590 1351806010 /nfs/dbraw/zinc/80/60/10/1351806010.db2.gz CICJFIHUVVYREJ-NWDGAFQWSA-N -1 0 335.360 2.331 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2ccc([N+](=O)[O-])s2)cc1[N+](=O)[O-] ZINC001609026421 1351818743 /nfs/dbraw/zinc/81/87/43/1351818743.db2.gz FNUYLCVBDTZGKQ-UHFFFAOYSA-N -1 0 338.253 2.482 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC001609810800 1352091122 /nfs/dbraw/zinc/09/11/22/1352091122.db2.gz FIJOQOCTYCVBNZ-MRXNPFEDSA-N -1 0 349.343 2.243 20 5 EEBDRM CCOC(=O)C1(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001610012088 1352140132 /nfs/dbraw/zinc/14/01/32/1352140132.db2.gz CZRDHICIPZNPRZ-XQRVVYSFSA-N -1 0 334.328 2.448 20 5 EEBDRM CCc1[nH]nc(C(=O)OCc2cc(C(=O)[O-])sc2C)c1[N+](=O)[O-] ZINC001610056256 1352151449 /nfs/dbraw/zinc/15/14/49/1352151449.db2.gz IILPOXQQPNUZSJ-UHFFFAOYSA-N -1 0 339.329 2.305 20 5 EEBDRM CNC(=O)Oc1cccc(Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001610140709 1352172230 /nfs/dbraw/zinc/17/22/30/1352172230.db2.gz FXNAAXOORUSXND-UHFFFAOYSA-N -1 0 346.299 2.458 20 5 EEBDRM COCCO[C@H](C)c1nnc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC001610264326 1352196390 /nfs/dbraw/zinc/19/63/90/1352196390.db2.gz BJQXHVGIPOPBKA-MRVPVSSYSA-N -1 0 337.288 2.067 20 5 EEBDRM Cc1c(NC(=O)N[C@H](C)c2cnn(C)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610426803 1352220976 /nfs/dbraw/zinc/22/09/76/1352220976.db2.gz XPPXQXPTRQEREZ-SECBINFHSA-N -1 0 347.331 2.218 20 5 EEBDRM Cc1ccc(NC(=O)CN(C)c2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001610506901 1352235381 /nfs/dbraw/zinc/23/53/81/1352235381.db2.gz BVGOEGLRFWTETQ-UHFFFAOYSA-N -1 0 344.327 2.071 20 5 EEBDRM O=C([O-])CCCNC(=S)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001610771131 1352271923 /nfs/dbraw/zinc/27/19/23/1352271923.db2.gz TWGWXRXTWKIQCV-UHFFFAOYSA-N -1 0 349.315 2.347 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2cnnn2-c2ccccc2)c1 ZINC001610841482 1352283707 /nfs/dbraw/zinc/28/37/07/1352283707.db2.gz OGTKEYCFVSVRLY-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM Cc1c(NC(=O)CCCn2cccn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600031714 1349958595 /nfs/dbraw/zinc/95/85/95/1349958595.db2.gz DZLBWLMIGCLDGP-UHFFFAOYSA-N -1 0 332.316 2.217 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2CCCC[C@H]2O)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044921 1349960888 /nfs/dbraw/zinc/96/08/88/1349960888.db2.gz YYEVILUJTQRKGC-ZWNOBZJWSA-N -1 0 337.332 2.026 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cc(C(=O)[O-])nn1C ZINC001600216997 1349995120 /nfs/dbraw/zinc/99/51/20/1349995120.db2.gz SOYALZXSMSJPRG-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM Cc1cc(N2CC[C@@H](c3ncccn3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240259 1349999695 /nfs/dbraw/zinc/99/96/95/1349999695.db2.gz RJJXVWKZDJQWEQ-LLVKDONJSA-N -1 0 328.328 2.385 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1F ZINC001600304265 1350015804 /nfs/dbraw/zinc/01/58/04/1350015804.db2.gz UAOKNWPXCUHIOH-RKDXNWHRSA-N -1 0 342.298 2.364 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC001600305423 1350016015 /nfs/dbraw/zinc/01/60/15/1350016015.db2.gz XPAGFKHPAGSVOI-YGRLFVJLSA-N -1 0 335.360 2.027 20 5 EEBDRM Cc1ccc(CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])s1 ZINC001600420177 1350047249 /nfs/dbraw/zinc/04/72/49/1350047249.db2.gz DVCHUGBWULICIQ-UHFFFAOYSA-N -1 0 349.368 2.391 20 5 EEBDRM Cc1cccnc1[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600590258 1350091963 /nfs/dbraw/zinc/09/19/63/1350091963.db2.gz VRWSKRAJJRTHAY-SNVBAGLBSA-N -1 0 329.312 2.487 20 5 EEBDRM Cn1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1C(=O)[O-] ZINC001601014805 1350190143 /nfs/dbraw/zinc/19/01/43/1350190143.db2.gz BOQAYOFHQGWBSZ-UHFFFAOYSA-N -1 0 346.324 2.494 20 5 EEBDRM Cn1ncc(C2CC2)c1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001601025926 1350193219 /nfs/dbraw/zinc/19/32/19/1350193219.db2.gz WXRRVZLUEYPLMQ-UHFFFAOYSA-N -1 0 330.300 2.156 20 5 EEBDRM Nc1nccc2c1CN(c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])CC2 ZINC001601222073 1350235435 /nfs/dbraw/zinc/23/54/35/1350235435.db2.gz XLDPQGHSLNSRBY-UHFFFAOYSA-N -1 0 348.746 2.486 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1O ZINC001601283158 1350248496 /nfs/dbraw/zinc/24/84/96/1350248496.db2.gz OOZWHAJYKZEABR-UHFFFAOYSA-N -1 0 346.295 2.406 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)CC1CC1 ZINC001601456432 1350287644 /nfs/dbraw/zinc/28/76/44/1350287644.db2.gz KHXFHZNEBNTHJB-VIFPVBQESA-N -1 0 325.296 2.356 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC001601578442 1350311601 /nfs/dbraw/zinc/31/16/01/1350311601.db2.gz NYSPWSSUEFWDLQ-QFKQNQDGSA-N -1 0 343.339 2.305 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)no1 ZINC001601591597 1350314538 /nfs/dbraw/zinc/31/45/38/1350314538.db2.gz QNONZRBOHSPFIE-UHFFFAOYSA-N -1 0 343.198 2.135 20 5 EEBDRM O=C([O-])c1sccc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001601628498 1350323269 /nfs/dbraw/zinc/32/32/69/1350323269.db2.gz JQTMUWVRWNNQSS-UHFFFAOYSA-N -1 0 332.297 2.483 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001601750551 1350356296 /nfs/dbraw/zinc/35/62/96/1350356296.db2.gz DRHLBJMQGKFOGS-HOCLYGCPSA-N -1 0 346.339 2.265 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCC[C@@H]2CCOC2=O)c([N+](=O)[O-])c1 ZINC001601883042 1350390088 /nfs/dbraw/zinc/39/00/88/1350390088.db2.gz OPDMXPLJOPVPPU-FVOPLDGLSA-N -1 0 334.328 2.448 20 5 EEBDRM O=C([O-])CC1CC(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001601944783 1350402827 /nfs/dbraw/zinc/40/28/27/1350402827.db2.gz YNRODUJGHWSULI-UHFFFAOYSA-N -1 0 330.699 2.370 20 5 EEBDRM O=C([O-])CCc1ccc(O)c(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001602043275 1350425166 /nfs/dbraw/zinc/42/51/66/1350425166.db2.gz PCVWJECMMWUYCV-UHFFFAOYSA-N -1 0 344.323 2.499 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCn3nc(C4CC4)cc3C2)c([N+](=O)[O-])c1 ZINC001602121269 1350444231 /nfs/dbraw/zinc/44/42/31/1350444231.db2.gz YTWOHDXGIIKGLG-UHFFFAOYSA-N -1 0 342.355 2.316 20 5 EEBDRM O=C([O-])Cc1ccc(NCc2cnn3c2CCCC3)c([N+](=O)[O-])c1 ZINC001602135985 1350447560 /nfs/dbraw/zinc/44/75/60/1350447560.db2.gz CYSRJRYXQDIYBV-UHFFFAOYSA-N -1 0 330.344 2.367 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001602221457 1350469877 /nfs/dbraw/zinc/46/98/77/1350469877.db2.gz DUYTXKWRCPSFEC-QFYYESIMSA-N -1 0 328.328 2.229 20 5 EEBDRM O=C([O-])c1cc(-c2nnc(Cc3ccncc3)o2)cc([N+](=O)[O-])c1 ZINC001602237719 1350473511 /nfs/dbraw/zinc/47/35/11/1350473511.db2.gz DXMKVMJHRHZGIY-UHFFFAOYSA-N -1 0 326.268 2.329 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@@]23CCCOC3)cc([N+](=O)[O-])c1 ZINC001602243376 1350474766 /nfs/dbraw/zinc/47/47/66/1350474766.db2.gz LSAFJSSNZXAXKJ-KRWDZBQOSA-N -1 0 348.355 2.468 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(c3cccnc3)CC2)n1 ZINC001602403526 1350511572 /nfs/dbraw/zinc/51/15/72/1350511572.db2.gz KEVUXBSOWKQFIX-UHFFFAOYSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC[C@@H]2CCC[C@@]3(CCOC3)O2)c1 ZINC001602407273 1350512219 /nfs/dbraw/zinc/51/22/19/1350512219.db2.gz CUDMRZLCQHGPGD-LRDDRELGSA-N -1 0 337.328 2.400 20 5 EEBDRM C/C(=C\C(=O)N1CCSC[C@@H]1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001602951460 1350609706 /nfs/dbraw/zinc/60/97/06/1350609706.db2.gz NPWNEZUZXWGERL-AORWBKJGSA-N -1 0 336.369 2.027 20 5 EEBDRM C[C@H](Sc1ncc([N+](=O)[O-])c(N)n1)c1cccc(-c2nn[nH]n2)c1 ZINC001603725779 1350751007 /nfs/dbraw/zinc/75/10/07/1350751007.db2.gz PLSDMLDIQOGYCM-ZETCQYMHSA-N -1 0 344.360 2.000 20 5 EEBDRM CC1(C)CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCS1 ZINC001603778091 1350765635 /nfs/dbraw/zinc/76/56/35/1350765635.db2.gz AMJWPZHCFUNGPV-UHFFFAOYSA-N -1 0 334.405 2.497 20 5 EEBDRM C[C@H](Cc1ccccn1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001604234515 1350900062 /nfs/dbraw/zinc/90/00/62/1350900062.db2.gz QWAXVUGIAQSBQI-SNVBAGLBSA-N -1 0 329.312 2.049 20 5 EEBDRM C[C@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1ncn(C)n1 ZINC001604363096 1350923871 /nfs/dbraw/zinc/92/38/71/1350923871.db2.gz IFRKEYJFRDOWKQ-LURJTMIESA-N -1 0 325.712 2.248 20 5 EEBDRM C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@H](C)[C@H]1O ZINC001604808452 1351011590 /nfs/dbraw/zinc/01/15/90/1351011590.db2.gz WVRXXPOJYJCUPC-BWPRHRIFSA-N -1 0 328.752 2.400 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)[C@H](C)CN1C ZINC001604811464 1351012665 /nfs/dbraw/zinc/01/26/65/1351012665.db2.gz FZNNVIBRZJCHOJ-RKDXNWHRSA-N -1 0 327.768 2.475 20 5 EEBDRM CC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H](C)C(=O)[O-] ZINC001605116497 1351080592 /nfs/dbraw/zinc/08/05/92/1351080592.db2.gz OGJYNBGHDZFKEV-GZMMTYOYSA-N -1 0 339.300 2.022 20 5 EEBDRM CCNC(=O)c1cccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001605496937 1351171421 /nfs/dbraw/zinc/17/14/21/1351171421.db2.gz DFFNWXPHEPCIAX-UHFFFAOYSA-N -1 0 344.327 2.050 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](C(=O)[O-])[C@H]2C)cc1C ZINC001605570346 1351192118 /nfs/dbraw/zinc/19/21/18/1351192118.db2.gz WPEJPMRTQTVKNK-MNOVXSKESA-N -1 0 336.344 2.379 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC001607258515 1351459951 /nfs/dbraw/zinc/45/99/51/1351459951.db2.gz PVGOCXBINMOYQJ-UHFFFAOYSA-N -1 0 336.325 2.293 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC001607258051 1351460098 /nfs/dbraw/zinc/46/00/98/1351460098.db2.gz FHXNMHCZXSGGGU-DAXSKMNVSA-N -1 0 346.295 2.224 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC001607292212 1351466039 /nfs/dbraw/zinc/46/60/39/1351466039.db2.gz ZLSJWZPDHUODIZ-BLLLJJGKSA-N -1 0 336.344 2.367 20 5 EEBDRM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1CC(=O)[O-] ZINC001607429959 1351493208 /nfs/dbraw/zinc/49/32/08/1351493208.db2.gz CJBBQLPOUGDHAL-PZTHBURQSA-N -1 0 332.356 2.268 20 5 EEBDRM Cc1cc(N2CCC(c3cc(C(=O)[O-])on3)CC2)ncc1[N+](=O)[O-] ZINC001607669294 1351536258 /nfs/dbraw/zinc/53/62/58/1351536258.db2.gz FNRLCLJPKQTUNV-UHFFFAOYSA-N -1 0 332.316 2.368 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001607824694 1351565967 /nfs/dbraw/zinc/56/59/67/1351565967.db2.gz FPXPZOOGXFBPQS-LLVKDONJSA-N -1 0 349.368 2.094 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCSC[C@@H]2CC(=O)[O-])c1C ZINC001607825461 1351566074 /nfs/dbraw/zinc/56/60/74/1351566074.db2.gz ULADJTWAEWMEEF-NSHDSACASA-N -1 0 338.385 2.244 20 5 EEBDRM Cn1c(=O)oc2ccc(COc3ccc(C(=O)[O-])cc3[N+](=O)[O-])cc21 ZINC001608077060 1351619985 /nfs/dbraw/zinc/61/99/85/1351619985.db2.gz AFZBDRJQHPTJCB-UHFFFAOYSA-N -1 0 344.279 2.317 20 5 EEBDRM Cn1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001608116181 1351628359 /nfs/dbraw/zinc/62/83/59/1351628359.db2.gz MLNSSKQEWSEXSQ-UHFFFAOYSA-N -1 0 339.254 2.362 20 5 EEBDRM NC(=O)c1cc(NC[C@H](CC2CCCC2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001608239873 1351654537 /nfs/dbraw/zinc/65/45/37/1351654537.db2.gz UUIIFBASEGNKAG-NSHDSACASA-N -1 0 335.360 2.387 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC001608278879 1351661819 /nfs/dbraw/zinc/66/18/19/1351661819.db2.gz KONHCNYNTJKXDP-OGIUKLMXSA-N -1 0 344.367 2.412 20 5 EEBDRM O=C([O-])C1(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CCSCC1 ZINC001608406075 1351688659 /nfs/dbraw/zinc/68/86/59/1351688659.db2.gz DMAHIAIRDUQNNE-UHFFFAOYSA-N -1 0 344.776 2.328 20 5 EEBDRM COc1cc(OC)c(OC)cc1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000918493399 769152632 /nfs/dbraw/zinc/15/26/32/769152632.db2.gz ZFZQRZLVIGTURH-UHFFFAOYSA-N -1 0 336.300 2.306 20 5 EEBDRM Cc1cscc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000175123516 773466742 /nfs/dbraw/zinc/46/67/42/773466742.db2.gz SCWUHLZRVZHSJU-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM CCOC(=O)c1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1O ZINC000819365386 785535307 /nfs/dbraw/zinc/53/53/07/785535307.db2.gz HUUICEJTUWEDSD-UHFFFAOYSA-N -1 0 346.295 2.435 20 5 EEBDRM CC(=O)O[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000844136741 788872560 /nfs/dbraw/zinc/87/25/60/788872560.db2.gz HGMQUFIUEMODEQ-SNVBAGLBSA-N -1 0 342.735 2.122 20 5 EEBDRM O=C([O-])Cc1ccc(NC2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000844206839 788925259 /nfs/dbraw/zinc/92/52/59/788925259.db2.gz WHESYOJYWBMROU-UHFFFAOYSA-N -1 0 336.344 2.320 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(c3cn[nH]c3)CC2)n1 ZINC000844208461 788927437 /nfs/dbraw/zinc/92/74/37/788927437.db2.gz UFFXAURROBWAKA-UHFFFAOYSA-N -1 0 331.332 2.104 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@@H]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000844212146 788930175 /nfs/dbraw/zinc/93/01/75/788930175.db2.gz BZOSWFONHUHBLQ-MGJVTZDQSA-N -1 0 348.355 2.443 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@@H]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000844212147 788930258 /nfs/dbraw/zinc/93/02/58/788930258.db2.gz BZOSWFONHUHBLQ-UBCGMYBRSA-N -1 0 348.355 2.443 20 5 EEBDRM Cn1cc(C[C@@H]2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C2)cn1 ZINC000844212891 788931036 /nfs/dbraw/zinc/93/10/36/788931036.db2.gz PBPHGCMKZMWUQV-ZDUSSCGKSA-N -1 0 344.371 2.024 20 5 EEBDRM Cc1ccccc1C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151469709 788979047 /nfs/dbraw/zinc/97/90/47/788979047.db2.gz OHFHCKQXFKIDDB-UHFFFAOYSA-N -1 0 348.380 2.206 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC000806025593 790150294 /nfs/dbraw/zinc/15/02/94/790150294.db2.gz KJCWYYOMECLXSW-GFCCVEGCSA-N -1 0 340.401 2.162 20 5 EEBDRM CCCS(=O)(=O)[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172664239 791747925 /nfs/dbraw/zinc/74/79/25/791747925.db2.gz BFYDXGFHOXVEHK-UHFFFAOYSA-N -1 0 328.371 2.279 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000176556687 795297452 /nfs/dbraw/zinc/29/74/52/795297452.db2.gz PMLIPKAEPLHVST-SSDOTTSWSA-N -1 0 332.765 2.099 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC000917793127 798360027 /nfs/dbraw/zinc/36/00/27/798360027.db2.gz LZDALKCEIFMILA-UHFFFAOYSA-N -1 0 345.267 2.131 20 5 EEBDRM N=c1c(Cl)cc(Cl)c(N)n1-c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673269 798523458 /nfs/dbraw/zinc/52/34/58/798523458.db2.gz VMKWZLJVWQEEAZ-UHFFFAOYSA-N -1 0 343.126 2.452 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000805841737 811557230 /nfs/dbraw/zinc/55/72/30/811557230.db2.gz LYBXJQVAGRAHIY-UHFFFAOYSA-N -1 0 346.792 2.489 20 5 EEBDRM O=C(OCc1cccnc1Br)c1ccc([N+](=O)[O-])[n-]1 ZINC000805936307 811671808 /nfs/dbraw/zinc/67/18/08/811671808.db2.gz RFOCTTBBOASMOU-UHFFFAOYSA-N -1 0 326.106 2.437 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000584191273 939796154 /nfs/dbraw/zinc/79/61/54/939796154.db2.gz PDRWHPXRDMUSFA-HNNXBMFYSA-N -1 0 343.339 2.262 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001601351545 970980244 /nfs/dbraw/zinc/98/02/44/970980244.db2.gz CPYGOHPLZKVTJI-UHFFFAOYSA-N -1 0 342.298 2.175 20 5 EEBDRM O=C([O-])CCc1cccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001602043648 971128851 /nfs/dbraw/zinc/12/88/51/971128851.db2.gz GZNVXDCEXZQVSL-INIZCTEOSA-N -1 0 344.323 2.284 20 5 EEBDRM CC[C@@H](OC(=O)c1cc(C(=O)[O-])nn1C)c1cccc([N+](=O)[O-])c1 ZINC001593609256 953447923 /nfs/dbraw/zinc/44/79/23/953447923.db2.gz ZHPYBMPEDQMZRJ-CYBMUJFWSA-N -1 0 333.300 2.335 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC001589282266 953531861 /nfs/dbraw/zinc/53/18/61/953531861.db2.gz OMJVIADPDDXBBP-GHMZBOCLSA-N -1 0 347.371 2.034 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001593714773 954202048 /nfs/dbraw/zinc/20/20/48/954202048.db2.gz MNHOYAWCWBUXON-UHFFFAOYSA-N -1 0 343.339 2.289 20 5 EEBDRM CC[C@@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001589524933 955102838 /nfs/dbraw/zinc/10/28/38/955102838.db2.gz ZNMXVKJHFQIKBZ-VIFPVBQESA-N -1 0 328.752 2.408 20 5 EEBDRM CC[C@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001589538093 955176074 /nfs/dbraw/zinc/17/60/74/955176074.db2.gz MHJGDRQAUJKIMC-CYBMUJFWSA-N -1 0 337.376 2.328 20 5 EEBDRM CON(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H](C)C(=O)[O-] ZINC001594039851 957853958 /nfs/dbraw/zinc/85/39/58/957853958.db2.gz PRYAQJAGXIGSHQ-JTQLQIEISA-N -1 0 340.335 2.158 20 5 EEBDRM COc1cc([N+](=O)[O-])cnc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594068044 958159848 /nfs/dbraw/zinc/15/98/48/958159848.db2.gz UUONNZZWHXFKAV-UHFFFAOYSA-N -1 0 337.332 2.362 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594330021 958210652 /nfs/dbraw/zinc/21/06/52/958210652.db2.gz WMZZCKBDGBLZEO-QWHCGFSZSA-N -1 0 333.344 2.478 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594381209 958622177 /nfs/dbraw/zinc/62/21/77/958622177.db2.gz OPDICQILZUQZQA-VXGBXAGGSA-N -1 0 336.344 2.420 20 5 EEBDRM Cc1c(Br)c(NCC2(C(=O)[O-])CC2)ncc1[N+](=O)[O-] ZINC000165682770 959290406 /nfs/dbraw/zinc/29/04/06/959290406.db2.gz HZOCGFQTJYPIBP-UHFFFAOYSA-N -1 0 330.138 2.337 20 5 EEBDRM C[C@H](C(=O)[O-])c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001588604065 959463318 /nfs/dbraw/zinc/46/33/18/959463318.db2.gz YWVQGZQYKMHQDK-ZETCQYMHSA-N -1 0 341.707 2.441 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594262644 959710680 /nfs/dbraw/zinc/71/06/80/959710680.db2.gz PPEYASKJTJFSQS-WDEREUQCSA-N -1 0 336.319 2.225 20 5 EEBDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001574280462 960637686 /nfs/dbraw/zinc/63/76/86/960637686.db2.gz JYYRAGPYSLTKDJ-NDGTYSDOSA-N -1 0 332.356 2.412 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001603360466 972825468 /nfs/dbraw/zinc/82/54/68/972825468.db2.gz SFLJTWXLCQXMEH-CMPLNLGQSA-N -1 0 345.355 2.188 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c1 ZINC001605309582 973127480 /nfs/dbraw/zinc/12/74/80/973127480.db2.gz CPINMQPVEYPESG-QWHCGFSZSA-N -1 0 344.371 2.331 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C(=O)[O-] ZINC001603425121 973142907 /nfs/dbraw/zinc/14/29/07/973142907.db2.gz DWSRBNZFYLGJQB-MWLCHTKSSA-N -1 0 331.328 2.259 20 5 EEBDRM O=C([O-])CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CCC1 ZINC001606221115 973475863 /nfs/dbraw/zinc/47/58/63/973475863.db2.gz ZUNXOKDFDUXXND-UHFFFAOYSA-N -1 0 344.270 2.276 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC001604541018 973513321 /nfs/dbraw/zinc/51/33/21/973513321.db2.gz BODQPYJKFNTZMY-CQSZACIVSA-N -1 0 344.751 2.184 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH]nc1C(=O)[O-] ZINC001603575553 973722556 /nfs/dbraw/zinc/72/25/56/973722556.db2.gz UUAWKYXMBPGVMT-JTQLQIEISA-N -1 0 332.316 2.224 20 5 EEBDRM CC(C)OC(=O)CC[C@@H](C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001592469999 978216426 /nfs/dbraw/zinc/21/64/26/978216426.db2.gz DPIYYXYBHPZOMC-SECBINFHSA-N -1 0 325.321 2.220 20 5 EEBDRM C[C@@H](CN1CCOCC1)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001592625832 978606738 /nfs/dbraw/zinc/60/67/38/978606738.db2.gz XPVTZPDYDQIUPO-VIFPVBQESA-N -1 0 343.767 2.079 20 5 EEBDRM CCC[C@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001595573293 981487261 /nfs/dbraw/zinc/48/72/61/981487261.db2.gz JOEWLLUCJJOLJJ-JTQLQIEISA-N -1 0 344.389 2.398 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001594901067 982354397 /nfs/dbraw/zinc/35/43/97/982354397.db2.gz DFTAMJVTEPDCOA-QMTHXVAHSA-N -1 0 340.401 2.444 20 5 EEBDRM CC[C@H](C)C[C@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C(=O)[O-] ZINC001594952661 982672287 /nfs/dbraw/zinc/67/22/87/982672287.db2.gz KYUFQBOJPYALHB-KWQFWETISA-N -1 0 339.348 2.386 20 5 EEBDRM C/C(=C/C(=O)OCc1oncc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001588953141 984692061 /nfs/dbraw/zinc/69/20/61/984692061.db2.gz IQJUTUHIEZQBBB-TWGQIWQCSA-N -1 0 332.268 2.428 20 5 EEBDRM CSc1cccc(C(=O)Nc2cc(C(=O)[O-])n(C)n2)c1[N+](=O)[O-] ZINC001599822418 988537136 /nfs/dbraw/zinc/53/71/36/988537136.db2.gz QRQDOTWUAFQPNT-UHFFFAOYSA-N -1 0 336.329 2.001 20 5 EEBDRM COc1ccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1[N+](=O)[O-] ZINC001599593395 993717763 /nfs/dbraw/zinc/71/77/63/993717763.db2.gz OYXGRSHBTRWNOP-UHFFFAOYSA-N -1 0 333.300 2.499 20 5 EEBDRM C[C@@](NC(=O)c1cccc(F)c1N)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593175460 994045908 /nfs/dbraw/zinc/04/59/08/994045908.db2.gz NIMTVYDQXSJGLE-INIZCTEOSA-N -1 0 347.302 2.046 20 5 EEBDRM COc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)c1[N+](=O)[O-] ZINC001599640619 994352781 /nfs/dbraw/zinc/35/27/81/994352781.db2.gz FLVCYJKAHAHDQK-NSHDSACASA-N -1 0 336.325 2.221 20 5 EEBDRM COc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001599354360 998152798 /nfs/dbraw/zinc/15/27/98/998152798.db2.gz SPVICBLUJRQBFM-SECBINFHSA-N -1 0 342.323 2.219 20 5 EEBDRM COc1ccc(CNC(=O)c2ccsc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599570950 998364186 /nfs/dbraw/zinc/36/41/86/998364186.db2.gz XZFIKUCJAJNHCH-UHFFFAOYSA-N -1 0 336.325 2.293 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001594158727 998588465 /nfs/dbraw/zinc/58/84/65/998588465.db2.gz LOWXCCAVDKPENT-XPUUQOCRSA-N -1 0 330.699 2.323 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001594158722 998588609 /nfs/dbraw/zinc/58/86/09/998588609.db2.gz LOWXCCAVDKPENT-HTRCEHHLSA-N -1 0 330.699 2.323 20 5 EEBDRM CO[C@@]1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CCSC1 ZINC001599063793 999284762 /nfs/dbraw/zinc/28/47/62/999284762.db2.gz YRAHCDAUKQEGBT-AWEZNQCLSA-N -1 0 340.357 2.062 20 5 EEBDRM C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001594396893 999496242 /nfs/dbraw/zinc/49/62/42/999496242.db2.gz SGCGYCKZTFCGPK-DGCLKSJQSA-N -1 0 336.344 2.075 20 5 EEBDRM CN(CC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000191511119 529833038 /nfs/dbraw/zinc/83/30/38/529833038.db2.gz IWWATLDXRZFUER-UHFFFAOYSA-N -1 0 349.387 2.182 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000269086091 295799882 /nfs/dbraw/zinc/79/98/82/295799882.db2.gz MJTBEAGEENASSL-NSHDSACASA-N -1 0 335.360 2.130 20 5 EEBDRM O=C([O-])C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000042278196 304042390 /nfs/dbraw/zinc/04/23/90/304042390.db2.gz VGFWZIXBDKXPMN-UHFFFAOYSA-N -1 0 330.138 2.053 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000268954391 201229611 /nfs/dbraw/zinc/22/96/11/201229611.db2.gz VZLRSKHIBXCCLY-GFUIURDCSA-N -1 0 330.340 2.321 20 5 EEBDRM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(=O)[O-] ZINC000236732105 242336661 /nfs/dbraw/zinc/33/66/61/242336661.db2.gz YRECMPGNMSIZBI-LBPRGKRZSA-N -1 0 349.387 2.282 20 5 EEBDRM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089530892 203581135 /nfs/dbraw/zinc/58/11/35/203581135.db2.gz BSMZOCVOQOCQFG-SECBINFHSA-N -1 0 332.360 2.468 20 5 EEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262970416 245277707 /nfs/dbraw/zinc/27/77/07/245277707.db2.gz MQRPRHQTTGKMDL-WQGACYEGSA-N -1 0 347.371 2.109 20 5 EEBDRM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000107037680 204223421 /nfs/dbraw/zinc/22/34/21/204223421.db2.gz POLBSIBNWNWNQA-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000273352313 256289198 /nfs/dbraw/zinc/28/91/98/256289198.db2.gz NEPLXQNAQUQVKQ-MRVPVSSYSA-N -1 0 325.321 2.152 20 5 EEBDRM COc1ccc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263071302 152368989 /nfs/dbraw/zinc/36/89/89/152368989.db2.gz GSTKZCPQABFSCU-ZJUUUORDSA-N -1 0 337.332 2.178 20 5 EEBDRM CCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n(C)n1 ZINC000092866053 159227168 /nfs/dbraw/zinc/22/71/68/159227168.db2.gz GADJMELONKXDSX-UHFFFAOYSA-N -1 0 338.389 2.390 20 5 EEBDRM O=C(NCCOc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000106918918 159325857 /nfs/dbraw/zinc/32/58/57/159325857.db2.gz FCOLQMVULNYTDU-UHFFFAOYSA-N -1 0 338.266 2.387 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000174989698 159822357 /nfs/dbraw/zinc/82/23/57/159822357.db2.gz DBPDUWLHHKHDIJ-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237578772 160223151 /nfs/dbraw/zinc/22/31/51/160223151.db2.gz DGHWTENNNBMCRX-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000237981294 160226808 /nfs/dbraw/zinc/22/68/08/160226808.db2.gz NHMIDSJNOFODRK-UHFFFAOYSA-N -1 0 332.287 2.405 20 5 EEBDRM O=C([O-])c1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccn1 ZINC000238158844 160228734 /nfs/dbraw/zinc/22/87/34/160228734.db2.gz AOALCORZIWYUFB-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM O=C(NCc1nc(-c2ccccc2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355381949 163170371 /nfs/dbraw/zinc/17/03/71/163170371.db2.gz ZCWOCLUCWOXHFH-UHFFFAOYSA-N -1 0 340.295 2.280 20 5 EEBDRM CCN1CCc2nc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)sc2C1 ZINC000355384329 163171892 /nfs/dbraw/zinc/17/18/92/163171892.db2.gz UDGCJYADRCNYKF-UHFFFAOYSA-N -1 0 348.384 2.387 20 5 EEBDRM Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc12 ZINC000152597349 292492822 /nfs/dbraw/zinc/49/28/22/292492822.db2.gz GAGJLPJULUXHSP-UHFFFAOYSA-N -1 0 347.356 2.284 20 5 EEBDRM COc1cccc(F)c1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000359087865 164054763 /nfs/dbraw/zinc/05/47/63/164054763.db2.gz XCFQBFYGONLEQX-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)o1 ZINC000360032175 164220422 /nfs/dbraw/zinc/22/04/22/164220422.db2.gz SMTZQSNKRXVJFY-UHFFFAOYSA-N -1 0 340.313 2.165 20 5 EEBDRM CCOC(=O)C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000274620304 269041625 /nfs/dbraw/zinc/04/16/25/269041625.db2.gz KKLFOSQYSNHLIR-UHFFFAOYSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274621157 269041935 /nfs/dbraw/zinc/04/19/35/269041935.db2.gz UKXDLWWGWZYRNG-ZDUSSCGKSA-N -1 0 329.312 2.208 20 5 EEBDRM CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274963350 269079864 /nfs/dbraw/zinc/07/98/64/269079864.db2.gz QRHMVPWGPFAWSH-GFCCVEGCSA-N -1 0 336.344 2.247 20 5 EEBDRM CC(C)C[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(=O)[O-] ZINC000322095782 279165777 /nfs/dbraw/zinc/16/57/77/279165777.db2.gz IEZKBAIUXPLVOT-SNVBAGLBSA-N -1 0 344.389 2.157 20 5 EEBDRM O=c1[n-]nc([C@@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)o1 ZINC000283362619 292930765 /nfs/dbraw/zinc/93/07/65/292930765.db2.gz AHGOBHMAUGKXTC-LLVKDONJSA-N -1 0 341.327 2.203 20 5 EEBDRM CC(C)(C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1)C(N)=O ZINC000295692315 293791278 /nfs/dbraw/zinc/79/12/78/293791278.db2.gz QLUSKMXMLHWXID-LLVKDONJSA-N -1 0 349.387 2.054 20 5 EEBDRM COc1ccc2c(c1)[nH]nc2NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194833247 295277032 /nfs/dbraw/zinc/27/70/32/295277032.db2.gz HCOIGJOUXXQDJR-UHFFFAOYSA-N -1 0 328.284 2.438 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000263144239 297343876 /nfs/dbraw/zinc/34/38/76/297343876.db2.gz GYTFBNVRGBWWTG-SFYZADRCSA-N -1 0 344.165 2.299 20 5 EEBDRM Cc1nc(C2(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)CCCC2)no1 ZINC000183462140 302582602 /nfs/dbraw/zinc/58/26/02/302582602.db2.gz WWSWQMHMSHGZDD-UHFFFAOYSA-N -1 0 332.316 2.191 20 5 EEBDRM C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000321331741 311596679 /nfs/dbraw/zinc/59/66/79/311596679.db2.gz PXQRVDNDNUYUAV-GHMZBOCLSA-N -1 0 344.389 2.153 20 5 EEBDRM COc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000326162752 311603103 /nfs/dbraw/zinc/60/31/03/311603103.db2.gz LVBUAUDGEJJKDN-JTQLQIEISA-N -1 0 337.332 2.322 20 5 EEBDRM Cc1c(CNC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000326629970 311604376 /nfs/dbraw/zinc/60/43/76/311604376.db2.gz UOPHCYBKSKLALO-VIFPVBQESA-N -1 0 349.265 2.108 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)s[n-]1 ZINC000421545849 314117037 /nfs/dbraw/zinc/11/70/37/314117037.db2.gz SUFFSWMBJRFRCQ-VIFPVBQESA-N -1 0 336.373 2.445 20 5 EEBDRM O=C(c1c([O-])cccc1F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000436819363 315001828 /nfs/dbraw/zinc/00/18/28/315001828.db2.gz YEYDAHIRVPLOLB-UHFFFAOYSA-N -1 0 332.287 2.343 20 5 EEBDRM COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436892028 315010341 /nfs/dbraw/zinc/01/03/41/315010341.db2.gz JZRYHXHQEWRKGU-WBMJQRKESA-N -1 0 336.344 2.152 20 5 EEBDRM O=C(NCCOc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436929321 315013210 /nfs/dbraw/zinc/01/32/10/315013210.db2.gz UYPSTPXGAHBKEG-UHFFFAOYSA-N -1 0 338.266 2.387 20 5 EEBDRM COc1ccc(OCCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436947442 315015017 /nfs/dbraw/zinc/01/50/17/315015017.db2.gz MJAFTLKGKKUYCA-UHFFFAOYSA-N -1 0 332.312 2.118 20 5 EEBDRM COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1O ZINC000436957799 315016614 /nfs/dbraw/zinc/01/66/14/315016614.db2.gz ADZJYKRLCGAPOI-UHFFFAOYSA-N -1 0 332.268 2.045 20 5 EEBDRM CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000436964468 315017201 /nfs/dbraw/zinc/01/72/01/315017201.db2.gz ISUOPTULMFDAQI-UHFFFAOYSA-N -1 0 331.328 2.414 20 5 EEBDRM CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000543934522 318177326 /nfs/dbraw/zinc/17/73/26/318177326.db2.gz QEXKHNHWTXPODT-UHFFFAOYSA-N -1 0 331.284 2.124 20 5 EEBDRM C[C@H](CCCCC(=O)[O-])NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000548229188 318366795 /nfs/dbraw/zinc/36/67/95/318366795.db2.gz PWWRSPUPYXLZHS-LLVKDONJSA-N -1 0 344.389 2.048 20 5 EEBDRM O=C(NCc1noc(-c2cccs2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000554600642 318567647 /nfs/dbraw/zinc/56/76/47/318567647.db2.gz CTAWLQDGTCKIGY-UHFFFAOYSA-N -1 0 346.324 2.342 20 5 EEBDRM CCC(CC)(NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000559738082 318755838 /nfs/dbraw/zinc/75/58/38/318755838.db2.gz PLGVZUMTRBUEPY-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C(N[C@@H]1CCN(CC(F)F)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563537204 319020773 /nfs/dbraw/zinc/02/07/73/319020773.db2.gz KPWUXKYISBTTAS-MRVPVSSYSA-N -1 0 349.721 2.023 20 5 EEBDRM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C(=O)[O-] ZINC000567587851 319393912 /nfs/dbraw/zinc/39/39/12/319393912.db2.gz ADPYNSOKAJYMEG-APPZFPTMSA-N -1 0 344.165 2.299 20 5 EEBDRM O=C(Nc1c[nH]nc1-c1nccs1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000578409566 320312110 /nfs/dbraw/zinc/31/21/10/320312110.db2.gz XNLRLQNQZIFXOF-UHFFFAOYSA-N -1 0 331.313 2.399 20 5 EEBDRM O=C([O-])c1ccccc1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000390315789 323544647 /nfs/dbraw/zinc/54/46/47/323544647.db2.gz WPLDYUNXGGYHRN-UHFFFAOYSA-N -1 0 336.325 2.235 20 5 EEBDRM C[C@@H](O)CN(CC(F)F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000581668551 324300233 /nfs/dbraw/zinc/30/02/33/324300233.db2.gz LPGXPGZRSKCKKG-ZCFIWIBFSA-N -1 0 338.694 2.042 20 5 EEBDRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000328179325 465058512 /nfs/dbraw/zinc/05/85/12/465058512.db2.gz WAAQJWGKLCRZBC-QGZVFWFLSA-N -1 0 340.335 2.348 20 5 EEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)c1 ZINC000339099818 465081841 /nfs/dbraw/zinc/08/18/41/465081841.db2.gz ZSORHIXQSGMNJX-UHFFFAOYSA-N -1 0 345.283 2.392 20 5 EEBDRM O=C([O-])CN(C1CCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113703024 462610069 /nfs/dbraw/zinc/61/00/69/462610069.db2.gz NSMYVOKZUXTRRP-UHFFFAOYSA-N -1 0 342.373 2.003 20 5 EEBDRM COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1O ZINC000066635338 462914234 /nfs/dbraw/zinc/91/42/34/462914234.db2.gz UPLNAIOHTSJFDF-UHFFFAOYSA-N -1 0 332.268 2.045 20 5 EEBDRM CCn1ccnc1[C@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000521630768 468324274 /nfs/dbraw/zinc/32/42/74/468324274.db2.gz CLASTCVVVJKGPY-JSGCOSHPSA-N -1 0 346.343 2.452 20 5 EEBDRM Cc1[nH]nc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1[O-] ZINC000590775119 468335703 /nfs/dbraw/zinc/33/57/03/468335703.db2.gz JXVHJXYDJKJHNV-GFCCVEGCSA-N -1 0 330.344 2.352 20 5 EEBDRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055570307 463332892 /nfs/dbraw/zinc/33/28/92/463332892.db2.gz FOLUUNRVTQEKDJ-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146009313 463384576 /nfs/dbraw/zinc/38/45/76/463384576.db2.gz MKDSCINBAZQSOJ-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000070870835 463390103 /nfs/dbraw/zinc/39/01/03/463390103.db2.gz CKOZZEMZGSWSOS-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM CCC(CC)(CCO)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124263141 463402100 /nfs/dbraw/zinc/40/21/00/463402100.db2.gz OTELTDQSYIMDPA-UHFFFAOYSA-N -1 0 348.396 2.201 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)ccc1[N+](=O)[O-] ZINC000165247306 463641570 /nfs/dbraw/zinc/64/15/70/463641570.db2.gz KRBADFPLRCSAQM-SECBINFHSA-N -1 0 349.368 2.422 20 5 EEBDRM Cn1ccnc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000184941947 463724149 /nfs/dbraw/zinc/72/41/49/463724149.db2.gz RFELMPDBOZOFCZ-UHFFFAOYSA-N -1 0 345.340 2.410 20 5 EEBDRM CCCC[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000185001564 463734397 /nfs/dbraw/zinc/73/43/97/463734397.db2.gz SFMUOEYEUDMAAB-AWEZNQCLSA-N -1 0 333.344 2.378 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCSCC(=O)[O-] ZINC000262346360 464006925 /nfs/dbraw/zinc/00/69/25/464006925.db2.gz ANIPLVRJACMHSV-VIFPVBQESA-N -1 0 344.414 2.009 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000263344783 464088219 /nfs/dbraw/zinc/08/82/19/464088219.db2.gz OIKHWYKZXBDRGI-VHSXEESVSA-N -1 0 338.385 2.500 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000263447989 464107359 /nfs/dbraw/zinc/10/73/59/464107359.db2.gz ZHASRZFWGOUJEG-LBPRGKRZSA-N -1 0 328.328 2.467 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)nc(C)n1 ZINC000180762979 464389298 /nfs/dbraw/zinc/38/92/98/464389298.db2.gz RWSRAVAVIBCRNS-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM CC[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCC1=O ZINC000180786623 464394792 /nfs/dbraw/zinc/39/47/92/464394792.db2.gz DGDAUVDWKFDTTQ-JTQLQIEISA-N -1 0 341.751 2.293 20 5 EEBDRM O=c1[n-]nc(C2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)o1 ZINC000285468946 464576323 /nfs/dbraw/zinc/57/63/23/464576323.db2.gz BYUZKSYXPLPTJJ-UHFFFAOYSA-N -1 0 341.327 2.203 20 5 EEBDRM CO[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000266726490 464801234 /nfs/dbraw/zinc/80/12/34/464801234.db2.gz KONVZXPZUOKOLM-NSHDSACASA-N -1 0 334.369 2.073 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000593922155 468435311 /nfs/dbraw/zinc/43/53/11/468435311.db2.gz JUPQRJNXPUNFRO-LBPRGKRZSA-N -1 0 335.360 2.130 20 5 EEBDRM COC(=O)c1coc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000338222212 465914914 /nfs/dbraw/zinc/91/49/14/465914914.db2.gz YLHGPKAXCQYZEA-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM CSc1nc(=NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)s[n-]1 ZINC000353793393 466154028 /nfs/dbraw/zinc/15/40/28/466154028.db2.gz KKYGNJQZBFKBBM-UHFFFAOYSA-N -1 0 335.370 2.324 20 5 EEBDRM Cc1csc(CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000320120566 466604225 /nfs/dbraw/zinc/60/42/25/466604225.db2.gz NMOTUAKNDWOXBU-UHFFFAOYSA-N -1 0 345.377 2.020 20 5 EEBDRM CN1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000428019644 467194425 /nfs/dbraw/zinc/19/44/25/467194425.db2.gz ZYAQKLBUPGGEGZ-UHFFFAOYSA-N -1 0 327.340 2.393 20 5 EEBDRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000436654250 467549437 /nfs/dbraw/zinc/54/94/37/467549437.db2.gz WNUBLYBVAZQIRS-UHFFFAOYSA-N -1 0 330.300 2.123 20 5 EEBDRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493273127 467876613 /nfs/dbraw/zinc/87/66/13/467876613.db2.gz WWXQKYOMRFHZFR-IDTUSYRASA-N -1 0 348.355 2.090 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493287891 467878988 /nfs/dbraw/zinc/87/89/88/467878988.db2.gz MXPMZGNTAYBCKS-GCNVKHBNSA-N -1 0 348.330 2.459 20 5 EEBDRM C[C@@H]1C[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)O1 ZINC000514732260 467951869 /nfs/dbraw/zinc/95/18/69/467951869.db2.gz VEDBIZFXCICJLR-HLTSFMKQSA-N -1 0 328.752 2.497 20 5 EEBDRM COc1ccccc1CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578073588 468196456 /nfs/dbraw/zinc/19/64/56/468196456.db2.gz RBNYOYAKBZMKLH-UHFFFAOYSA-N -1 0 331.328 2.660 20 5 EEBDRM O=C(N[C@H](CO)C1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567954822 468244755 /nfs/dbraw/zinc/24/47/55/468244755.db2.gz NUKUDIWPSPNZNF-LLVKDONJSA-N -1 0 328.752 2.235 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCc2nn[nH]c21 ZINC000590445370 468258839 /nfs/dbraw/zinc/25/88/39/468258839.db2.gz NGNNXYXFLRSPAF-ZETCQYMHSA-N -1 0 337.723 2.131 20 5 EEBDRM CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000569803674 468544926 /nfs/dbraw/zinc/54/49/26/468544926.db2.gz VBALYNIUVCCNHS-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000594528473 468615636 /nfs/dbraw/zinc/61/56/36/468615636.db2.gz LPVUHXHEWRILMV-DGCLKSJQSA-N -1 0 335.360 2.205 20 5 EEBDRM C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000592137602 468634510 /nfs/dbraw/zinc/63/45/10/468634510.db2.gz KDAFJTNEUBBEMK-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)C[C@@H](OC)C(C)C ZINC000592381821 468686375 /nfs/dbraw/zinc/68/63/75/468686375.db2.gz GIPUTVPBSHBKKO-CYBMUJFWSA-N -1 0 332.378 2.016 20 5 EEBDRM CO[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC000595248217 468792864 /nfs/dbraw/zinc/79/28/64/468792864.db2.gz SGEREMVIEXTVEX-AWEZNQCLSA-N -1 0 336.344 2.228 20 5 EEBDRM C[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595280748 468799419 /nfs/dbraw/zinc/79/94/19/468799419.db2.gz ZVCVKTIOWHDACB-SFYZADRCSA-N -1 0 349.265 2.234 20 5 EEBDRM NC(=O)N[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000584188346 468817371 /nfs/dbraw/zinc/81/73/71/468817371.db2.gz CGMVPLIOQGJVTC-LBPRGKRZSA-N -1 0 344.327 2.039 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000592984972 468834612 /nfs/dbraw/zinc/83/46/12/468834612.db2.gz XXNXMANBYPBJRQ-SNVBAGLBSA-N -1 0 333.369 2.397 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCOC(C2CC2)(C2CC2)C1 ZINC000598364536 468842029 /nfs/dbraw/zinc/84/20/29/468842029.db2.gz OTUMEOVOKRPQOP-UHFFFAOYSA-N -1 0 332.356 2.332 20 5 EEBDRM O=C(NC[C@H]1CCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598508315 468892015 /nfs/dbraw/zinc/89/20/15/468892015.db2.gz GGEDRTOVJQHDQY-OAHLLOKOSA-N -1 0 341.367 2.305 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000562649322 469018245 /nfs/dbraw/zinc/01/82/45/469018245.db2.gz QGMCWJKDELLBDE-INIZCTEOSA-N -1 0 349.318 2.192 20 5 EEBDRM CO[C@]1(C(F)(F)F)CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000614898336 469087112 /nfs/dbraw/zinc/08/71/12/469087112.db2.gz VITQALJZEOSTDN-CYBMUJFWSA-N -1 0 348.277 2.484 20 5 EEBDRM CN(CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000593698075 469100526 /nfs/dbraw/zinc/10/05/26/469100526.db2.gz ZTIVVKLRBZZETA-NSHDSACASA-N -1 0 337.376 2.037 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000596002671 469112738 /nfs/dbraw/zinc/11/27/38/469112738.db2.gz LKXOKQPCBNIOSP-NSHDSACASA-N -1 0 326.736 2.479 20 5 EEBDRM Cc1cccn2cc(CCNC(=O)c3cc([N+](=O)[O-])ccc3[O-])nc12 ZINC000611535510 469274158 /nfs/dbraw/zinc/27/41/58/469274158.db2.gz XMZBOWLQFHVEBR-UHFFFAOYSA-N -1 0 340.339 2.229 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000611534565 469274198 /nfs/dbraw/zinc/27/41/98/469274198.db2.gz YTWAQECPRCBBRV-QMMMGPOBSA-N -1 0 342.311 2.373 20 5 EEBDRM COc1cccc(C[C@@H](C)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000574760284 469279712 /nfs/dbraw/zinc/27/97/12/469279712.db2.gz ZFJQBIVXLDHXCJ-SNVBAGLBSA-N -1 0 345.355 3.048 20 5 EEBDRM CCC(C)(C)N(C)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000619588719 469645721 /nfs/dbraw/zinc/64/57/21/469645721.db2.gz NWOUZQXCDOFCKN-ZDUSSCGKSA-N -1 0 337.376 2.421 20 5 EEBDRM CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000456150044 535507350 /nfs/dbraw/zinc/50/73/50/535507350.db2.gz SNMNTNAYNFVAAL-NEPJUHHUSA-N -1 0 336.344 2.152 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000738212675 578003901 /nfs/dbraw/zinc/00/39/01/578003901.db2.gz NUJKPLCCZKMHPF-SECBINFHSA-N -1 0 339.373 2.189 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000734737243 577323763 /nfs/dbraw/zinc/32/37/63/577323763.db2.gz OOVKNXUCECRFOC-UHFFFAOYSA-N -1 0 326.374 2.288 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]OC1CCOCC1 ZINC000773916974 577372957 /nfs/dbraw/zinc/37/29/57/577372957.db2.gz GHQCOFRTTDJHFI-JTQLQIEISA-N -1 0 326.374 2.302 20 5 EEBDRM O=c1[nH]c2cc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)ccc2o1 ZINC000768867317 577564584 /nfs/dbraw/zinc/56/45/84/577564584.db2.gz WAISJJPTLKJWHZ-UHFFFAOYSA-N -1 0 341.326 2.304 20 5 EEBDRM O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000753702722 577792006 /nfs/dbraw/zinc/79/20/06/577792006.db2.gz MZEMHAZIOHICEA-UHFFFAOYSA-N -1 0 333.256 2.226 20 5 EEBDRM Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1 ZINC000744132560 577893234 /nfs/dbraw/zinc/89/32/34/577893234.db2.gz PPUBPHAWSRYUTC-UHFFFAOYSA-N -1 0 344.345 2.223 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCc3ccc(O)cc3C2)cc([N+](=O)[O-])c1 ZINC000746334887 577926271 /nfs/dbraw/zinc/92/62/71/577926271.db2.gz ARYUMVZLWYEDLO-UHFFFAOYSA-N -1 0 342.307 2.197 20 5 EEBDRM O=C([O-])c1ccnc(NCc2cccc3c2OCCO3)c1[N+](=O)[O-] ZINC000738692106 578023904 /nfs/dbraw/zinc/02/39/04/578023904.db2.gz HSCCMNOAOPVHHR-UHFFFAOYSA-N -1 0 331.284 2.071 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCc2nncn2C2CC2)c([N+](=O)[O-])c1 ZINC000739622302 578061348 /nfs/dbraw/zinc/06/13/48/578061348.db2.gz AINPURHIWMUEAK-KXFIGUGUSA-N -1 0 329.316 2.231 20 5 EEBDRM O=C([O-])Cc1cccc(OC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000739889180 578071734 /nfs/dbraw/zinc/07/17/34/578071734.db2.gz IVDLVMOWUZSEFT-UHFFFAOYSA-N -1 0 331.280 2.206 20 5 EEBDRM O=C([O-])NCc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000739989820 578076738 /nfs/dbraw/zinc/07/67/38/578076738.db2.gz YOGFPHGUXIFQMZ-UHFFFAOYSA-N -1 0 345.311 2.380 20 5 EEBDRM O=C([O-])c1cnc(N(C(=O)Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000740261181 578087989 /nfs/dbraw/zinc/08/79/89/578087989.db2.gz WXRRVMNAKPSQEQ-UHFFFAOYSA-N -1 0 347.352 2.488 20 5 EEBDRM O=C([O-])c1coc(COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000740270748 578088425 /nfs/dbraw/zinc/08/84/25/578088425.db2.gz OZRSXGAFTMRFTG-UHFFFAOYSA-N -1 0 349.251 2.014 20 5 EEBDRM CCC[C@@H](C)N(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736965279 578231613 /nfs/dbraw/zinc/23/16/13/578231613.db2.gz OSSNIQOEGGXNOO-MNOVXSKESA-N -1 0 337.376 2.423 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000263508094 596910007 /nfs/dbraw/zinc/91/00/07/596910007.db2.gz WLSDOXBIHXFKHO-ZETCQYMHSA-N -1 0 345.258 2.135 20 5 EEBDRM O=C([O-])C1(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC000821400038 598214678 /nfs/dbraw/zinc/21/46/78/598214678.db2.gz WTFFGKKSEUKISV-UHFFFAOYSA-N -1 0 344.270 2.323 20 5 EEBDRM CO[C@@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000831520557 600803696 /nfs/dbraw/zinc/80/36/96/600803696.db2.gz YEXUOPOASIMOFF-NSHDSACASA-N -1 0 327.293 2.284 20 5 EEBDRM Nc1c(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cccc1[N+](=O)[O-] ZINC000833089879 601279000 /nfs/dbraw/zinc/27/90/00/601279000.db2.gz CQIMGNHUPWMYPR-UHFFFAOYSA-N -1 0 341.283 2.004 20 5 EEBDRM Cc1nc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)sc1C(=O)[O-] ZINC000832867412 601382567 /nfs/dbraw/zinc/38/25/67/601382567.db2.gz SNIXNAGHZLDUDQ-UHFFFAOYSA-N -1 0 336.329 2.201 20 5 EEBDRM CC(C)C[C@H](CCO)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000826763933 601384801 /nfs/dbraw/zinc/38/48/01/601384801.db2.gz LWIYONAOQQQDGG-NSHDSACASA-N -1 0 338.360 2.068 20 5 EEBDRM C/C(=C\COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC000825775467 601422237 /nfs/dbraw/zinc/42/22/37/601422237.db2.gz SIJAHYNCRGHBQX-QPJJXVBHSA-N -1 0 338.272 2.308 20 5 EEBDRM C/C(=C/COC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000825769457 601426641 /nfs/dbraw/zinc/42/66/41/601426641.db2.gz QMXWNGZDWDSEIV-YWEYNIOJSA-N -1 0 332.268 2.036 20 5 EEBDRM CC(C)(CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000826580647 601674900 /nfs/dbraw/zinc/67/49/00/601674900.db2.gz OTGVNXUSWBLHGM-UHFFFAOYSA-N -1 0 337.376 2.328 20 5 EEBDRM CC(C)[C@H](NC(=O)[O-])C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000824143269 604384901 /nfs/dbraw/zinc/38/49/01/604384901.db2.gz LHHADIUKYMMCRR-LBPRGKRZSA-N -1 0 337.288 2.071 20 5 EEBDRM Cc1cccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000833753532 604529941 /nfs/dbraw/zinc/52/99/41/604529941.db2.gz RHMOFMFFNIZPBK-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM CC(C)c1nnc([C@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[nH]1 ZINC000833511986 605023093 /nfs/dbraw/zinc/02/30/93/605023093.db2.gz GVGMICYSOWXTSY-QMMMGPOBSA-N -1 0 347.331 2.026 20 5 EEBDRM Cc1nc(C)n([C@@H]2CCCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC000833755703 605183454 /nfs/dbraw/zinc/18/34/54/605183454.db2.gz YJRNNMLEJCNZEU-CYBMUJFWSA-N -1 0 345.359 2.343 20 5 EEBDRM CC(C)(C)C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000833425653 605234902 /nfs/dbraw/zinc/23/49/02/605234902.db2.gz DHJKHVYDABRTJV-LBPRGKRZSA-N -1 0 325.317 2.406 20 5 EEBDRM Cc1sccc1C(=O)N[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001059621945 687460381 /nfs/dbraw/zinc/46/03/81/687460381.db2.gz VBVNDLYISJKMFD-AOOOYVTPSA-N -1 0 348.384 2.438 20 5 EEBDRM C[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000263358769 689722262 /nfs/dbraw/zinc/72/22/62/689722262.db2.gz RMKUPYQTROUPTP-MDZLAQPJSA-N -1 0 335.360 2.408 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@](C)(C(=O)[O-])C1 ZINC000841496236 1187080182 /nfs/dbraw/zinc/08/01/82/1187080182.db2.gz XAFDDSAXHZZJLE-HNNXBMFYSA-N -1 0 340.307 2.212 20 5 EEBDRM COc1cc(-c2noc(-c3nc[n-]c3[N+](=O)[O-])n2)cc(OC)c1OC ZINC001212893326 1214379577 /nfs/dbraw/zinc/37/95/77/1214379577.db2.gz YGIYFADJGWSPPB-UHFFFAOYSA-N -1 0 347.287 2.061 20 5 EEBDRM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000113946766 1225659007 /nfs/dbraw/zinc/65/90/07/1225659007.db2.gz GHBMBCBLXJCMEK-MRVPVSSYSA-N -1 0 343.336 2.378 20 5 EEBDRM CCc1oncc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000800844352 1234666146 /nfs/dbraw/zinc/66/61/46/1234666146.db2.gz VMNHJGWTOCAOLK-UHFFFAOYSA-N -1 0 329.309 2.394 20 5 EEBDRM Cc1cc(=O)c(COC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n[n-]1 ZINC000802173331 1237050726 /nfs/dbraw/zinc/05/07/26/1237050726.db2.gz YASLVPHCPWRTOT-UHFFFAOYSA-N -1 0 342.311 2.097 20 5 EEBDRM CC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886519 1277380564 /nfs/dbraw/zinc/38/05/64/1277380564.db2.gz XQZMWPDNIBSCTR-MWLCHTKSSA-N -1 0 344.364 2.365 20 5 EEBDRM O=c1ncc(F)c(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)[n-]1 ZINC001225885988 1301189285 /nfs/dbraw/zinc/18/92/85/1301189285.db2.gz RXTQIKSUMOECLK-QMMMGPOBSA-N -1 0 338.270 2.026 20 5 EEBDRM CCC[C@@H](Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-])[C@@H](C)CC ZINC001226651969 1301494864 /nfs/dbraw/zinc/49/48/64/1301494864.db2.gz KUEWFLCZKHPBAF-DTWKUNHWSA-N -1 0 327.337 2.471 20 5 EEBDRM CCC[C@@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)C(=O)OCC ZINC001227094498 1301684557 /nfs/dbraw/zinc/68/45/57/1301684557.db2.gz DCDKILYFSBKWDZ-GFCCVEGCSA-N -1 0 335.316 2.354 20 5 EEBDRM Cc1ccnc(N2CCC(Oc3nc(C)[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC001229379129 1302754130 /nfs/dbraw/zinc/75/41/30/1302754130.db2.gz RGSPJKSHNFMEGM-UHFFFAOYSA-N -1 0 345.359 2.150 20 5 EEBDRM O=c1oc2cc(O)ccc2c2cc(O[C@H]3CCCOC3=O)c(O)cc12 ZINC001229803777 1302950414 /nfs/dbraw/zinc/95/04/14/1302950414.db2.gz SCLGIYLSVNGIND-AWEZNQCLSA-N -1 0 342.303 2.442 20 5 EEBDRM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1c[nH]nc1[N+](=O)[O-] ZINC001116931577 1305932064 /nfs/dbraw/zinc/93/20/64/1305932064.db2.gz CWNVRVUDWXXGII-UHFFFAOYSA-N -1 0 334.292 2.228 20 5 EEBDRM CCOc1cccc(CC(=O)OCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000837702033 1315104125 /nfs/dbraw/zinc/10/41/25/1315104125.db2.gz JNFVUOWZBWJQIY-UHFFFAOYSA-N -1 0 332.312 2.380 20 5 EEBDRM O=C(NC1C(=O)N=CN=C1[O-])c1cccc2nc3ccccc3nc21 ZINC001153864440 1316903910 /nfs/dbraw/zinc/90/39/10/1316903910.db2.gz CBGPWHDDIQUCAC-UHFFFAOYSA-N -1 0 333.307 2.237 20 5 EEBDRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1 ZINC001206157781 1323408696 /nfs/dbraw/zinc/40/86/96/1323408696.db2.gz BJQMBUGWSKJIJQ-UHFFFAOYSA-N -1 0 335.341 2.163 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC001602391784 1350509800 /nfs/dbraw/zinc/50/98/00/1350509800.db2.gz NJWWAFHDEBDYKV-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM O=C([O-])[C@H](c1ccsc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001608562131 1351716401 /nfs/dbraw/zinc/71/64/01/1351716401.db2.gz NGPFCYOLIPLXTQ-FZMZJTMJSA-N -1 0 348.384 2.363 20 5 EEBDRM CCCC[C@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001605242299 1351114240 /nfs/dbraw/zinc/11/42/40/1351114240.db2.gz ZHUDZDDMDZDNLM-LBPRGKRZSA-N -1 0 326.324 2.426 20 5 EEBDRM COc1cccc(CCNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])c1 ZINC001605317103 1351134980 /nfs/dbraw/zinc/13/49/80/1351134980.db2.gz QXZLSTFABJGFQR-UHFFFAOYSA-N -1 0 340.343 2.438 20 5 EEBDRM Cc1cc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C(=O)[O-])ccc1F ZINC001607613760 1351525363 /nfs/dbraw/zinc/52/53/63/1351525363.db2.gz AQVBQVYZMCHAFX-AWEZNQCLSA-N -1 0 347.302 2.180 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCCCCC(=O)[O-] ZINC001608271152 1351660315 /nfs/dbraw/zinc/66/03/15/1351660315.db2.gz DWTYKFVONSYZGP-UHFFFAOYSA-N -1 0 327.312 2.081 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC001608352316 1351677276 /nfs/dbraw/zinc/67/72/76/1351677276.db2.gz YHODYOXHFVPKRW-ZDUSSCGKSA-N -1 0 337.309 2.404 20 5 EEBDRM O=C([O-])CCc1nc(COc2cc(Cl)c([N+](=O)[O-])cc2F)no1 ZINC001608741891 1351753834 /nfs/dbraw/zinc/75/38/34/1351753834.db2.gz NEJOMXBMEVLFOV-UHFFFAOYSA-N -1 0 345.670 2.367 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@]23C[C@H]2COC32CCC2)cc([N+](=O)[O-])c1 ZINC001608855380 1351779295 /nfs/dbraw/zinc/77/92/95/1351779295.db2.gz JYCQYBRKWWUNDA-QFYYESIMSA-N -1 0 332.312 2.191 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001318955609 1332628523 /nfs/dbraw/zinc/62/85/23/1332628523.db2.gz CTYYDLXONHWCFP-JTQLQIEISA-N -1 0 326.374 2.226 20 5 EEBDRM O=C([O-])c1ccc(F)c2c1CN(C(=O)c1ccc([N+](=O)[O-])o1)CC2 ZINC001608896404 1351788985 /nfs/dbraw/zinc/78/89/85/1351788985.db2.gz UCEJLMDLZWLTGB-UHFFFAOYSA-N -1 0 334.259 2.224 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2c2ccc(=O)[nH]n2)c1 ZINC001608914411 1351792740 /nfs/dbraw/zinc/79/27/40/1351792740.db2.gz PIGPRXWUIXZRMT-AWEZNQCLSA-N -1 0 344.327 2.126 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])cc1 ZINC001608913893 1351792854 /nfs/dbraw/zinc/79/28/54/1351792854.db2.gz LEWOKZPQMXZELI-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)s1 ZINC001608914033 1351793060 /nfs/dbraw/zinc/79/30/60/1351793060.db2.gz URPCMLZSEUTHNB-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM O=C([O-])c1ccnc(N2CC(O)(c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001608952505 1351801883 /nfs/dbraw/zinc/80/18/83/1351801883.db2.gz YOKVKEHISBPXFW-UHFFFAOYSA-N -1 0 349.730 2.049 20 5 EEBDRM CC(C)(C)C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC001609656198 1352051770 /nfs/dbraw/zinc/05/17/70/1352051770.db2.gz JRTVORCXDFXINL-LLVKDONJSA-N -1 0 344.389 2.300 20 5 EEBDRM C[C@@H](CC(=O)[O-])CC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001609733606 1352071650 /nfs/dbraw/zinc/07/16/50/1352071650.db2.gz BPURBKGJFIJVNP-QMMMGPOBSA-N -1 0 326.261 2.047 20 5 EEBDRM Cn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CCC[C@H](CF)C1 ZINC001338837537 1336917292 /nfs/dbraw/zinc/91/72/92/1336917292.db2.gz DTNKQTXWZFUWEP-SNVBAGLBSA-N -1 0 335.339 2.282 20 5 EEBDRM CCOC(=O)CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCC1 ZINC001610015988 1352142208 /nfs/dbraw/zinc/14/22/08/1352142208.db2.gz NILDFKIQCGXZSH-UHFFFAOYSA-N -1 0 336.344 2.211 20 5 EEBDRM CCc1nnc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)s1 ZINC001610075006 1352156883 /nfs/dbraw/zinc/15/68/83/1352156883.db2.gz YPZWYYGJHXYGNB-UHFFFAOYSA-N -1 0 338.345 2.084 20 5 EEBDRM Cc1c(NC(=O)[C@@H](C)Cc2cnn(C)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610420164 1352219950 /nfs/dbraw/zinc/21/99/50/1352219950.db2.gz UJDQZHDBUSAUOB-VIFPVBQESA-N -1 0 346.343 2.152 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCCC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC001610750476 1352268619 /nfs/dbraw/zinc/26/86/19/1352268619.db2.gz LPPZOGXPXIVFRQ-XBXARRHUSA-N -1 0 333.344 2.163 20 5 EEBDRM Cc1c(NC(=O)NC[C@@H]2CC[C@@H](C)O2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043545 1349961081 /nfs/dbraw/zinc/96/10/81/1349961081.db2.gz UMCPJOXSZUZFLY-KCJUWKMLSA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1c(NC(=O)N[C@H]2CCCC[C@@H]2O)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044980 1349961389 /nfs/dbraw/zinc/96/13/89/1349961389.db2.gz YYEVILUJTQRKGC-GWCFXTLKSA-N -1 0 337.332 2.026 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCOC[C@@H]2c2ccco2)n1 ZINC001600104999 1349972233 /nfs/dbraw/zinc/97/22/33/1349972233.db2.gz LEDVIEZFLPVXBN-LLVKDONJSA-N -1 0 333.300 2.167 20 5 EEBDRM Cc1cc(NCc2ncc3c(n2)CCOC3)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600283465 1350010747 /nfs/dbraw/zinc/01/07/47/1350010747.db2.gz RGUQKRMVEWJTLT-UHFFFAOYSA-N -1 0 344.327 2.076 20 5 EEBDRM Cc1cc(OS(=O)(=O)c2ccsc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600292548 1350013059 /nfs/dbraw/zinc/01/30/59/1350013059.db2.gz TYRYYYVMKFOXDQ-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1COC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001600833132 1350147829 /nfs/dbraw/zinc/14/78/29/1350147829.db2.gz YOYCVUGOOYEMRB-UHFFFAOYSA-N -1 0 334.284 2.350 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001600905363 1350164753 /nfs/dbraw/zinc/16/47/53/1350164753.db2.gz CLGAIHCHTYISTB-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCC1(CC(=O)[O-])CC1 ZINC001600920925 1350168887 /nfs/dbraw/zinc/16/88/87/1350168887.db2.gz UHGBLQQZGOMGTB-UHFFFAOYSA-N -1 0 349.368 2.189 20 5 EEBDRM O=C([O-])c1ncccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001601282924 1350248300 /nfs/dbraw/zinc/24/83/00/1350248300.db2.gz ADVKNIZQNSQPGC-UHFFFAOYSA-N -1 0 331.284 2.096 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)CN2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001601320479 1350256590 /nfs/dbraw/zinc/25/65/90/1350256590.db2.gz XZMZIDSUQYZQIG-UHFFFAOYSA-N -1 0 342.307 2.261 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001601578072 1350311017 /nfs/dbraw/zinc/31/10/17/1350311017.db2.gz GOVVICZEBQEQHO-CDLYGTGVSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1O ZINC001601589327 1350314016 /nfs/dbraw/zinc/31/40/16/1350314016.db2.gz VOQCZMJDEGXNHG-UHFFFAOYSA-N -1 0 325.664 2.232 20 5 EEBDRM O=C([O-])[C@@H](C[C@@H]1CCCOC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001601642824 1350326761 /nfs/dbraw/zinc/32/67/61/1350326761.db2.gz QLYUDAAXXRBUCN-IINYFYTJSA-N -1 0 346.343 2.220 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001601719467 1350347455 /nfs/dbraw/zinc/34/74/55/1350347455.db2.gz KZBLAQOPCMGMFN-CYBMUJFWSA-N -1 0 340.698 2.194 20 5 EEBDRM O=C([O-])C12CC(C1)CN2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001601728298 1350349296 /nfs/dbraw/zinc/34/92/96/1350349296.db2.gz JYDJCJLVVYKZNA-UHFFFAOYSA-N -1 0 341.161 2.406 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001601810822 1350369842 /nfs/dbraw/zinc/36/98/42/1350369842.db2.gz GCUOUKLTEJUZJU-ZDUSSCGKSA-N -1 0 336.344 2.220 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001601862452 1350384233 /nfs/dbraw/zinc/38/42/33/1350384233.db2.gz IJDVDOUAHFIRDC-DADYRQLVSA-N -1 0 344.367 2.314 20 5 EEBDRM O=C([O-])CCCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001601985420 1350411286 /nfs/dbraw/zinc/41/12/86/1350411286.db2.gz DTNLGPQSMMJZDW-UHFFFAOYSA-N -1 0 346.343 2.155 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@H](O)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001602126698 1350445698 /nfs/dbraw/zinc/44/56/98/1350445698.db2.gz MHMHVEHTGHXTKB-AWEZNQCLSA-N -1 0 348.330 2.377 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001602196286 1350463331 /nfs/dbraw/zinc/46/33/31/1350463331.db2.gz ADYWEUWBECEORQ-UFBFGSQYSA-N -1 0 344.726 2.204 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](O)c1cccnc1 ZINC001602299520 1350488135 /nfs/dbraw/zinc/48/81/35/1350488135.db2.gz YRYBIKUXFZZCSC-GFCCVEGCSA-N -1 0 337.719 2.487 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC001602387713 1350508346 /nfs/dbraw/zinc/50/83/46/1350508346.db2.gz HVKTZQLJQMZECO-CQSZACIVSA-N -1 0 329.264 2.202 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2CC(F)(F)F)n1 ZINC001602405038 1350511876 /nfs/dbraw/zinc/51/18/76/1350511876.db2.gz IQUXIRNNGGLCJQ-MRVPVSSYSA-N -1 0 348.281 2.127 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)c2ccc3c(c2)CCO3)c1 ZINC001602408538 1350512952 /nfs/dbraw/zinc/51/29/52/1350512952.db2.gz OIFSXDQNLAJEDM-UHFFFAOYSA-N -1 0 343.291 2.490 20 5 EEBDRM O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC001602428523 1350517586 /nfs/dbraw/zinc/51/75/86/1350517586.db2.gz SUYLKMJJQNPXKW-UHFFFAOYSA-N -1 0 342.307 2.328 20 5 EEBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001603187162 1350659401 /nfs/dbraw/zinc/65/94/01/1350659401.db2.gz DPUWFDOHIQYDJA-ZUZCIYMTSA-N -1 0 343.339 2.369 20 5 EEBDRM CC(C)N1CCC[C@H]1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603895645 1350796887 /nfs/dbraw/zinc/79/68/87/1350796887.db2.gz WQKDUFBKHLEPQY-AWEZNQCLSA-N -1 0 336.344 2.209 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CCC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001603902083 1350798987 /nfs/dbraw/zinc/79/89/87/1350798987.db2.gz XWGCSQQLJCNBQW-KRWDZBQOSA-N -1 0 349.387 2.424 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604315278 1350913740 /nfs/dbraw/zinc/91/37/40/1350913740.db2.gz VACQTGVJWACYES-VCDKRKBESA-N -1 0 347.371 2.398 20 5 EEBDRM C[C@@H](OC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)[O-])o1 ZINC001604394481 1350928538 /nfs/dbraw/zinc/92/85/38/1350928538.db2.gz YJURQSLPKWRGQK-AMIZOPFISA-N -1 0 335.268 2.224 20 5 EEBDRM CC[C@@H](C)[C@@H](OC)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604942087 1351035847 /nfs/dbraw/zinc/03/58/47/1351035847.db2.gz DBOREQVLLZJVMK-NOZJJQNGSA-N -1 0 325.317 2.397 20 5 EEBDRM CCCC[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC001605251633 1351115859 /nfs/dbraw/zinc/11/58/59/1351115859.db2.gz QEPGKWDLFYCUJG-LLVKDONJSA-N -1 0 339.300 2.166 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c1[N+](=O)[O-] ZINC001605776250 1351222939 /nfs/dbraw/zinc/22/29/39/1351222939.db2.gz UYQQXCWSVPCFEV-LBPRGKRZSA-N -1 0 346.343 2.135 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1occc1C(=O)[O-] ZINC001606061322 1351267453 /nfs/dbraw/zinc/26/74/53/1351267453.db2.gz ZXIXGZXQWHRRQE-UHFFFAOYSA-N -1 0 334.284 2.309 20 5 EEBDRM CN(Cc1cccc(C(N)=O)c1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606164829 1351280251 /nfs/dbraw/zinc/28/02/51/1351280251.db2.gz NPZCQCXCVAVIEH-UHFFFAOYSA-N -1 0 329.312 2.028 20 5 EEBDRM COC[C@]1(C)CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001606836802 1351364802 /nfs/dbraw/zinc/36/48/02/1351364802.db2.gz HSHSODLDWHYVEU-CQSZACIVSA-N -1 0 339.304 2.064 20 5 EEBDRM C[C@@H]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC001607426321 1351492653 /nfs/dbraw/zinc/49/26/53/1351492653.db2.gz HBDVSGPLWHAYGR-GHMZBOCLSA-N -1 0 335.360 2.034 20 5 EEBDRM Cc1c(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cnn1CC(=O)[O-] ZINC001607621826 1351527208 /nfs/dbraw/zinc/52/72/08/1351527208.db2.gz KGSIIRNRDRQIPA-UHFFFAOYSA-N -1 0 346.343 2.362 20 5 EEBDRM Cc1nc(NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607965572 1351594481 /nfs/dbraw/zinc/59/44/81/1351594481.db2.gz PLWWQCHFUGODMK-ZDUSSCGKSA-N -1 0 335.291 2.381 20 5 EEBDRM Cc1nn(CC(=O)c2cc(C(=O)[O-])co2)c2ccc([N+](=O)[O-])cc12 ZINC001608007279 1351602796 /nfs/dbraw/zinc/60/27/96/1351602796.db2.gz KSUOYDYWJRUNMB-UHFFFAOYSA-N -1 0 329.268 2.427 20 5 EEBDRM NC(=O)c1c(F)cccc1OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001608240803 1351654286 /nfs/dbraw/zinc/65/42/86/1351654286.db2.gz KNZLXJNPOQNBJG-UHFFFAOYSA-N -1 0 334.259 2.110 20 5 EEBDRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000796737808 1371461915 /nfs/dbraw/zinc/46/19/15/1371461915.db2.gz ZQHXBBHPEMZKJM-LLVKDONJSA-N -1 0 328.390 2.367 20 5 EEBDRM Cc1cc(C)n2nc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)nc2n1 ZINC000069524884 776606647 /nfs/dbraw/zinc/60/66/47/776606647.db2.gz AMQOYERNETYIPO-UHFFFAOYSA-N -1 0 330.279 2.041 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000112493606 786064603 /nfs/dbraw/zinc/06/46/03/786064603.db2.gz MXUCRDWNUMAYAD-JTQLQIEISA-N -1 0 328.390 2.399 20 5 EEBDRM CC(=O)O[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000844136739 788871944 /nfs/dbraw/zinc/87/19/44/788871944.db2.gz HGMQUFIUEMODEQ-JTQLQIEISA-N -1 0 342.735 2.122 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2cccc3c2OCCO3)n1 ZINC000844207779 788926519 /nfs/dbraw/zinc/92/65/19/788926519.db2.gz GGZQAHSKCOIOFJ-UHFFFAOYSA-N -1 0 345.311 2.380 20 5 EEBDRM Cc1nccn1CCCN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844212625 788930950 /nfs/dbraw/zinc/93/09/50/788930950.db2.gz KJGGJIAHQLPSDF-UHFFFAOYSA-N -1 0 332.360 2.253 20 5 EEBDRM O=C([O-])c1ccnc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)c1[N+](=O)[O-] ZINC000844214359 788933759 /nfs/dbraw/zinc/93/37/59/788933759.db2.gz FYXJPJBKYIHNSJ-KKZNHRDASA-N -1 0 341.414 2.480 20 5 EEBDRM O=C([N-]S(=O)(=O)CC1CCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165066554 789370804 /nfs/dbraw/zinc/37/08/04/789370804.db2.gz CSEIULZNTWHBLC-UHFFFAOYSA-N -1 0 332.765 2.108 20 5 EEBDRM Cc1nc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])sc1C ZINC000173229161 791827046 /nfs/dbraw/zinc/82/70/46/791827046.db2.gz RBVPEWNNJRXNOU-UHFFFAOYSA-N -1 0 345.377 2.286 20 5 EEBDRM COc1ccc([C@H](O)CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000915212633 795730182 /nfs/dbraw/zinc/73/01/82/795730182.db2.gz KORXILGWTQPCKF-OAHLLOKOSA-N -1 0 332.312 2.447 20 5 EEBDRM COc1ccc([C@@H](O)CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000915212631 795730551 /nfs/dbraw/zinc/73/05/51/795730551.db2.gz KORXILGWTQPCKF-HNNXBMFYSA-N -1 0 332.312 2.447 20 5 EEBDRM CC(C)(CC(=O)N1CCCC1)Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001171494489 796603898 /nfs/dbraw/zinc/60/38/98/796603898.db2.gz XZRKVPHLDDYHAU-UHFFFAOYSA-N -1 0 335.360 2.496 20 5 EEBDRM CNC(=O)Cc1cccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174507601 797785892 /nfs/dbraw/zinc/78/58/92/797785892.db2.gz NOFLFOJBRRVBRN-UHFFFAOYSA-N -1 0 329.312 2.325 20 5 EEBDRM O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccc([N+](=O)[O-])cn1 ZINC000917345707 798181835 /nfs/dbraw/zinc/18/18/35/798181835.db2.gz GMQCTNGEHUBSHA-UHFFFAOYSA-N -1 0 327.256 2.039 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc3[nH]c(=O)cnc3c2)cc([N+](=O)[O-])c1 ZINC001176679443 798526088 /nfs/dbraw/zinc/52/60/88/798526088.db2.gz KITXZAKNZDMFEN-UHFFFAOYSA-N -1 0 326.268 2.273 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1C1CC1 ZINC001602185531 971170017 /nfs/dbraw/zinc/17/00/17/971170017.db2.gz NFJFVILNEVMWRH-NWDGAFQWSA-N -1 0 343.339 2.259 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001595119744 951967882 /nfs/dbraw/zinc/96/78/82/951967882.db2.gz GAIROBJQXLANGC-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001594795291 953712019 /nfs/dbraw/zinc/71/20/19/953712019.db2.gz ZXPSMOQHYFPGLH-TXEJJXNPSA-N -1 0 341.323 2.250 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001589305047 953731885 /nfs/dbraw/zinc/73/18/85/953731885.db2.gz PDRZGJALQAXBGP-AAEUAGOBSA-N -1 0 345.355 2.261 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001589310290 953784092 /nfs/dbraw/zinc/78/40/92/953784092.db2.gz IIKRFTVSZDLVTN-MNOVXSKESA-N -1 0 345.355 2.136 20 5 EEBDRM CC(C)[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C(=O)[O-] ZINC001602991662 972019440 /nfs/dbraw/zinc/01/94/40/972019440.db2.gz PSGSDSAZXBCELW-LLVKDONJSA-N -1 0 333.344 2.215 20 5 EEBDRM O=C([O-])/C=C\c1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)co1 ZINC001594966507 955063939 /nfs/dbraw/zinc/06/39/39/955063939.db2.gz PNIPEYFLPCKYPT-RQOWECAXSA-N -1 0 328.280 2.489 20 5 EEBDRM CC(C)C[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001603036300 972096785 /nfs/dbraw/zinc/09/67/85/972096785.db2.gz DGUVSLFREYZSKD-LLVKDONJSA-N -1 0 328.752 2.406 20 5 EEBDRM O=C([O-])CCCCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000192723114 959591169 /nfs/dbraw/zinc/59/11/69/959591169.db2.gz DSXSESRHNKQHQC-UHFFFAOYSA-N -1 0 346.343 2.155 20 5 EEBDRM C[C@H]1CCCN(C(=O)CSc2ccccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC001573726089 960406643 /nfs/dbraw/zinc/40/66/43/960406643.db2.gz JXIHCKYGYXEVPR-IINYFYTJSA-N -1 0 338.385 2.399 20 5 EEBDRM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC001573747967 960512157 /nfs/dbraw/zinc/51/21/57/960512157.db2.gz FQIBFDZUKWWCIW-SDJAHQOYSA-N -1 0 332.356 2.268 20 5 EEBDRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3ccccc3[N+](=O)[O-])C2)cn1 ZINC001574455077 961504031 /nfs/dbraw/zinc/50/40/31/961504031.db2.gz WBSYCTHPZBQKAO-NWDGAFQWSA-N -1 0 330.344 2.023 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC[C@@H](O)COCc2ccccc2)c1 ZINC000301357296 963066694 /nfs/dbraw/zinc/06/66/94/963066694.db2.gz ASHOIEAAEJHWEE-AWEZNQCLSA-N -1 0 347.323 2.250 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001604833383 974074657 /nfs/dbraw/zinc/07/46/57/974074657.db2.gz BHAZFHWBJIHSEK-QPJJXVBHSA-N -1 0 346.295 2.224 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1[N+](=O)[O-] ZINC001591920562 976388470 /nfs/dbraw/zinc/38/84/70/976388470.db2.gz BJGZBWNZDUXUSB-SECBINFHSA-N -1 0 338.345 2.059 20 5 EEBDRM CC(C)c1ncncc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592042689 976771321 /nfs/dbraw/zinc/77/13/21/976771321.db2.gz RHHCBFDNFCEMEU-UHFFFAOYSA-N -1 0 331.284 2.426 20 5 EEBDRM C[C@@H](CNC(=O)c1cc(C(=O)[O-])ccn1)c1ccccc1[N+](=O)[O-] ZINC001592694629 979148809 /nfs/dbraw/zinc/14/88/09/979148809.db2.gz XAJQRSXEZSXWLO-JTQLQIEISA-N -1 0 329.312 2.222 20 5 EEBDRM O=C([O-])C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000864122330 979719514 /nfs/dbraw/zinc/71/95/14/979719514.db2.gz PDGVQNPLRPVLOV-ZDUSSCGKSA-N -1 0 344.323 2.064 20 5 EEBDRM CC[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H]1C ZINC001595464414 981149571 /nfs/dbraw/zinc/14/95/71/981149571.db2.gz MYUOJPRXUNOKGU-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM CCCC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)[O-] ZINC001595645261 981987289 /nfs/dbraw/zinc/98/72/89/981987289.db2.gz OQBNMGZPOUILIW-LLVKDONJSA-N -1 0 326.261 2.303 20 5 EEBDRM CCCn1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cn1 ZINC001596113782 983444256 /nfs/dbraw/zinc/44/42/56/983444256.db2.gz UXPRZLYDKGBWBW-UHFFFAOYSA-N -1 0 332.316 2.460 20 5 EEBDRM CCO[C@@H](C)c1noc(COc2cccc(C(=O)[O-])c2[N+](=O)[O-])n1 ZINC001596776251 985213035 /nfs/dbraw/zinc/21/30/35/985213035.db2.gz XHIJAKMEMRGVBM-QMMMGPOBSA-N -1 0 337.288 2.353 20 5 EEBDRM CC(=O)NCC[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC001589133549 985432011 /nfs/dbraw/zinc/43/20/11/985432011.db2.gz VYNRWZLHSDNJFK-ZDUSSCGKSA-N -1 0 349.387 2.344 20 5 EEBDRM CCOc1ccc(C[C@@H](CNc2ncc([N+](=O)[O-])cn2)C(=O)[O-])cc1 ZINC001597095942 986699768 /nfs/dbraw/zinc/69/97/68/986699768.db2.gz VRQSKYCZBRKVKF-LBPRGKRZSA-N -1 0 346.343 2.139 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001597250549 987235964 /nfs/dbraw/zinc/23/59/64/987235964.db2.gz SCPIQYQKWONJIA-HFXCSBFXSA-N -1 0 341.389 2.180 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)N(CCC(=O)[O-])c2ccccc2C)n1 ZINC001597899724 989771702 /nfs/dbraw/zinc/77/17/02/989771702.db2.gz QQRFVABYINDAKO-UHFFFAOYSA-N -1 0 346.343 2.241 20 5 EEBDRM CC(C)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[N+](=O)[O-] ZINC001590655749 990350600 /nfs/dbraw/zinc/35/06/00/990350600.db2.gz AAFYURYQVHBGGS-CQSZACIVSA-N -1 0 347.371 2.115 20 5 EEBDRM CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598078583 990387785 /nfs/dbraw/zinc/38/77/85/990387785.db2.gz DTCGLALYRJUGJN-CQSZACIVSA-N -1 0 347.302 2.214 20 5 EEBDRM CC(C)C(C)(C)CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001590963581 991065328 /nfs/dbraw/zinc/06/53/28/991065328.db2.gz JBIUZLXWCQJZFX-UHFFFAOYSA-N -1 0 344.389 2.254 20 5 EEBDRM COc1ccccc1CCCn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O ZINC001599709000 991338218 /nfs/dbraw/zinc/33/82/18/991338218.db2.gz RBHWCPYVLVZRIM-UHFFFAOYSA-N -1 0 332.312 2.096 20 5 EEBDRM CC(C)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001591197203 992016636 /nfs/dbraw/zinc/01/66/36/992016636.db2.gz DDAKGHWCBCSWGL-UHFFFAOYSA-N -1 0 342.373 2.150 20 5 EEBDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1cc(N)ccc1[N+](=O)[O-] ZINC001598524352 992700277 /nfs/dbraw/zinc/70/02/77/992700277.db2.gz YVXPDQJXJDDBPP-UHFFFAOYSA-N -1 0 331.328 2.277 20 5 EEBDRM CC(C)[C@@H](C)N(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001593169362 994020160 /nfs/dbraw/zinc/02/01/60/994020160.db2.gz YUOAUQZOFNCAGT-WDEREUQCSA-N -1 0 337.376 2.278 20 5 EEBDRM CC(C)(C)n1cc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)nn1 ZINC001593310038 994771174 /nfs/dbraw/zinc/77/11/74/994771174.db2.gz FPTTXBKCAHNBBB-MRXNPFEDSA-N -1 0 347.375 2.031 20 5 EEBDRM CNc1ccc(C(=O)OCc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001598679328 994900315 /nfs/dbraw/zinc/90/03/15/994900315.db2.gz VMPKRSRXWCVYCG-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM COC(=O)C1(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCCCC1 ZINC001598726352 995522770 /nfs/dbraw/zinc/52/27/70/995522770.db2.gz DGFGBTMJTOHWHB-UHFFFAOYSA-N -1 0 337.332 2.223 20 5 EEBDRM CO[C@@]1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCSC1 ZINC001599091629 997202757 /nfs/dbraw/zinc/20/27/57/997202757.db2.gz FROMJAFCWSTZIG-CQSZACIVSA-N -1 0 326.374 2.156 20 5 EEBDRM C[C@]1(NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC=CCC1 ZINC001594061831 997854444 /nfs/dbraw/zinc/85/44/44/997854444.db2.gz MNPRGRAKVZACPM-AWEZNQCLSA-N -1 0 340.357 2.070 20 5 EEBDRM COc1cc([N+](=O)[O-])cnc1N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001599463331 998313424 /nfs/dbraw/zinc/31/34/24/998313424.db2.gz WYUOULUVFLDLIN-KRWDZBQOSA-N -1 0 343.339 2.231 20 5 EEBDRM COc1ccc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(OC)n1 ZINC001599573470 998403721 /nfs/dbraw/zinc/40/37/21/998403721.db2.gz AFBCSUXKRIPATE-UHFFFAOYSA-N -1 0 333.300 2.317 20 5 EEBDRM C[C@@H]1CCc2[nH]nc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2C1 ZINC001594446609 999639860 /nfs/dbraw/zinc/63/98/60/999639860.db2.gz BCEMIGVOHOLJGN-MRVPVSSYSA-N -1 0 344.327 2.393 20 5 EEBDRM CCC1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)(C(=O)[O-])CC1 ZINC000262073166 282551742 /nfs/dbraw/zinc/55/17/42/282551742.db2.gz COTLDJBWYXEUNJ-UHFFFAOYSA-N -1 0 335.360 2.330 20 5 EEBDRM C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000068441861 215307554 /nfs/dbraw/zinc/30/75/54/215307554.db2.gz UOQNGTFRBGLBFS-LBPRGKRZSA-N -1 0 341.367 2.481 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000192955299 237354378 /nfs/dbraw/zinc/35/43/78/237354378.db2.gz PYXVUKFKLSAJJB-LBPRGKRZSA-N -1 0 341.323 2.222 20 5 EEBDRM O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000456339345 244220634 /nfs/dbraw/zinc/22/06/34/244220634.db2.gz XNELUOCEORROCS-CJNGLKHVSA-N -1 0 343.339 2.346 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000262551163 245029476 /nfs/dbraw/zinc/02/94/76/245029476.db2.gz SKRLSVHDSROBAP-PSASIEDQSA-N -1 0 326.736 2.431 20 5 EEBDRM O=C([O-])C[C@H]1CSCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000262555421 245032323 /nfs/dbraw/zinc/03/23/23/245032323.db2.gz WEUFPSSMRAGUFU-JTQLQIEISA-N -1 0 349.368 2.108 20 5 EEBDRM CCC[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000263242123 245367783 /nfs/dbraw/zinc/36/77/83/245367783.db2.gz UDSVIOPZHNRFER-GFCCVEGCSA-N -1 0 333.344 2.167 20 5 EEBDRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000268230477 251744924 /nfs/dbraw/zinc/74/49/24/251744924.db2.gz YQYHBJJQTVXACP-UHFFFAOYSA-N -1 0 343.390 2.014 20 5 EEBDRM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000190898736 256003485 /nfs/dbraw/zinc/00/34/85/256003485.db2.gz XRJLKXWZPAQLHP-UHFFFAOYSA-N -1 0 346.324 2.494 20 5 EEBDRM Cn1cnc(-c2cccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)n1 ZINC000119804334 142378416 /nfs/dbraw/zinc/37/84/16/142378416.db2.gz HFPQCASRDWTRKL-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM COc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263071296 152368236 /nfs/dbraw/zinc/36/82/36/152368236.db2.gz GSTKZCPQABFSCU-UWVGGRQHSA-N -1 0 337.332 2.178 20 5 EEBDRM C/C=C/C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000263290113 152412802 /nfs/dbraw/zinc/41/28/02/152412802.db2.gz QRORCSATBUUWIE-BAABZTOOSA-N -1 0 335.360 2.323 20 5 EEBDRM CO[C@@]1(C)C[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1(C)C ZINC000262359441 160451915 /nfs/dbraw/zinc/45/19/15/160451915.db2.gz CUAXQIIOCLTQHA-WBMJQRKESA-N -1 0 336.344 2.226 20 5 EEBDRM C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])NC(=O)c1ccccc1 ZINC000092546406 159222530 /nfs/dbraw/zinc/22/25/30/159222530.db2.gz UIJBZUNHANZBBZ-LLVKDONJSA-N -1 0 343.339 2.448 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237066551 286772001 /nfs/dbraw/zinc/77/20/01/286772001.db2.gz WGVWVOIEOWJXBE-LLVKDONJSA-N -1 0 346.343 2.106 20 5 EEBDRM CCN(CC(=O)[O-])C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236990190 160219838 /nfs/dbraw/zinc/21/98/38/160219838.db2.gz PGCSHLICALSGOY-UHFFFAOYSA-N -1 0 335.341 2.265 20 5 EEBDRM Cc1sc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000237701385 160224417 /nfs/dbraw/zinc/22/44/17/160224417.db2.gz LHVODMKOXNAQKW-LLVKDONJSA-N -1 0 334.353 2.390 20 5 EEBDRM Cc1sc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000237700210 160224533 /nfs/dbraw/zinc/22/45/33/160224533.db2.gz LHVODMKOXNAQKW-NSHDSACASA-N -1 0 334.353 2.390 20 5 EEBDRM Cc1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000343260882 161117929 /nfs/dbraw/zinc/11/79/29/161117929.db2.gz NJOYPDHBFGLSOU-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM O=C(Nc1cccc(N2CCC2=O)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000344994607 161262528 /nfs/dbraw/zinc/26/25/28/161262528.db2.gz RSKMJYQERHPYRT-UHFFFAOYSA-N -1 0 327.296 2.289 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000345684402 161322618 /nfs/dbraw/zinc/32/26/18/161322618.db2.gz RJDDGBHMJLJTJC-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM CC(C)C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000346016555 161350354 /nfs/dbraw/zinc/35/03/54/161350354.db2.gz NNIFIGMYQGXVFG-GFCCVEGCSA-N -1 0 347.371 2.482 20 5 EEBDRM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000346637506 161387656 /nfs/dbraw/zinc/38/76/56/161387656.db2.gz QZNYKGDQSHGBHU-OAQYLSRUSA-N -1 0 340.382 2.133 20 5 EEBDRM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000355657942 163261711 /nfs/dbraw/zinc/26/17/11/163261711.db2.gz ANAGRRFALKSLDT-UHFFFAOYSA-N -1 0 331.115 2.442 20 5 EEBDRM O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272639674 269002395 /nfs/dbraw/zinc/00/23/95/269002395.db2.gz DHCMTXPBBYGXTO-IAQYHMDHSA-N -1 0 338.385 2.085 20 5 EEBDRM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[nH]1 ZINC000277820597 269186861 /nfs/dbraw/zinc/18/68/61/269186861.db2.gz LOXRHFJVDXHBCP-RKDXNWHRSA-N -1 0 333.348 2.423 20 5 EEBDRM O=C([O-])CCN(C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000275216991 274229299 /nfs/dbraw/zinc/22/92/99/274229299.db2.gz CVZMVKAJFGTRHP-UHFFFAOYSA-N -1 0 342.373 2.003 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000290440421 275207620 /nfs/dbraw/zinc/20/76/20/275207620.db2.gz BVTSGXOBPJTOBO-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM CN1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000164087004 290031064 /nfs/dbraw/zinc/03/10/64/290031064.db2.gz AYRGQOIFLUGCBQ-INIZCTEOSA-N -1 0 341.367 2.429 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCC1CCC1 ZINC000319030451 311594175 /nfs/dbraw/zinc/59/41/75/311594175.db2.gz RCHAFRNMAKFKPL-UHFFFAOYSA-N -1 0 328.346 2.225 20 5 EEBDRM COc1ccc(OC)c(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436675442 314987025 /nfs/dbraw/zinc/98/70/25/314987025.db2.gz YQXFVLAPOYWFGT-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM O=C(Nc1ccc(OCCCO)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436698210 314989001 /nfs/dbraw/zinc/98/90/01/314989001.db2.gz PDEHZWLGPRHOMV-UHFFFAOYSA-N -1 0 332.312 2.314 20 5 EEBDRM CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000436706366 314990529 /nfs/dbraw/zinc/99/05/29/314990529.db2.gz CNDUAYWLOUZTPA-NSHDSACASA-N -1 0 348.277 2.482 20 5 EEBDRM Cc1cccc2c1OC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C2 ZINC000436822391 315001907 /nfs/dbraw/zinc/00/19/07/315001907.db2.gz UEZFTQILBLFWMO-LBPRGKRZSA-N -1 0 328.324 2.342 20 5 EEBDRM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436960947 315016497 /nfs/dbraw/zinc/01/64/97/315016497.db2.gz SLWFBKFWDBLMRZ-UHFFFAOYSA-N -1 0 338.360 2.493 20 5 EEBDRM CN(C)c1cnc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000436957491 315016812 /nfs/dbraw/zinc/01/68/12/315016812.db2.gz VREICTHWEKMJMS-UHFFFAOYSA-N -1 0 337.723 2.062 20 5 EEBDRM COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436961458 315016862 /nfs/dbraw/zinc/01/68/62/315016862.db2.gz UOOSSMRFNAKOTP-LRDDRELGSA-N -1 0 336.344 2.152 20 5 EEBDRM CN(CCCC(=O)OC(C)(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436960683 315016883 /nfs/dbraw/zinc/01/68/83/315016883.db2.gz LBLQHNIZQDDGIT-UHFFFAOYSA-N -1 0 338.360 2.494 20 5 EEBDRM O=C(NC[C@H](O)CCc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436987014 315020038 /nfs/dbraw/zinc/02/00/38/315020038.db2.gz IIRXXQHIIFXCGX-CQSZACIVSA-N -1 0 330.340 2.024 20 5 EEBDRM C[C@@](CO)(CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])Cc1ccccc1 ZINC000436999742 315021999 /nfs/dbraw/zinc/02/19/99/315021999.db2.gz LRLJNMZJXCMSQO-SFHVURJKSA-N -1 0 344.367 2.272 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC1 ZINC000532262683 317851859 /nfs/dbraw/zinc/85/18/59/317851859.db2.gz LTFRISOWQZLFNL-UHFFFAOYSA-N -1 0 333.344 2.154 20 5 EEBDRM CNc1ccc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1[N+](=O)[O-] ZINC000538470206 318036345 /nfs/dbraw/zinc/03/63/45/318036345.db2.gz KMYJYMRPXWGQPF-UHFFFAOYSA-N -1 0 333.300 2.166 20 5 EEBDRM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000548453380 318389914 /nfs/dbraw/zinc/38/99/14/318389914.db2.gz MJJFJJMEEVNWRJ-GFCCVEGCSA-N -1 0 330.340 2.324 20 5 EEBDRM CCC[C@H](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000548595940 318397347 /nfs/dbraw/zinc/39/73/47/318397347.db2.gz CTDQTKOSFJSYAN-GWCFXTLKSA-N -1 0 344.389 2.153 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000561544647 318847540 /nfs/dbraw/zinc/84/75/40/318847540.db2.gz XUXQHGCIOISURJ-QMMMGPOBSA-N -1 0 342.764 2.078 20 5 EEBDRM Cc1ccc(NCCCNC(=O)CC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000561766110 318852345 /nfs/dbraw/zinc/85/23/45/318852345.db2.gz SYTTVZUCGULCHX-UHFFFAOYSA-N -1 0 337.376 2.322 20 5 EEBDRM CC(C)C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000562982976 318952741 /nfs/dbraw/zinc/95/27/41/318952741.db2.gz YCVYQFNPCQKFGV-ZDUSSCGKSA-N -1 0 349.387 2.409 20 5 EEBDRM CC(C)(C)OCC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000564711181 319103461 /nfs/dbraw/zinc/10/34/61/319103461.db2.gz LPEQWFSNZOBMGA-LBPRGKRZSA-N -1 0 339.348 2.375 20 5 EEBDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000565041071 319142898 /nfs/dbraw/zinc/14/28/98/319142898.db2.gz MQBUDWHEEQCGMN-GFCCVEGCSA-N -1 0 342.355 2.403 20 5 EEBDRM Cn1ccnc1[C@@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000565483825 319187191 /nfs/dbraw/zinc/18/71/91/319187191.db2.gz PSLLPUIGLZSNRY-RISCZKNCSA-N -1 0 346.343 2.359 20 5 EEBDRM Cn1ccnc1[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000565483824 319187253 /nfs/dbraw/zinc/18/72/53/319187253.db2.gz PSLLPUIGLZSNRY-FZMZJTMJSA-N -1 0 346.343 2.359 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@]1(C)C(=O)[O-] ZINC000567971981 319439926 /nfs/dbraw/zinc/43/99/26/319439926.db2.gz UOQPIJYYJVSDNS-BMLIUANNSA-N -1 0 347.371 2.352 20 5 EEBDRM Cc1ccc2c(c1)CN(c1nc(C(=O)[O-])ccc1[N+](=O)[O-])CCO2 ZINC000567984524 319441197 /nfs/dbraw/zinc/44/11/97/319441197.db2.gz QQPVNIJRENMESA-UHFFFAOYSA-N -1 0 329.312 2.395 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000570233958 319647948 /nfs/dbraw/zinc/64/79/48/319647948.db2.gz DRLUACUZISJSPP-ZDUSSCGKSA-N -1 0 345.355 2.139 20 5 EEBDRM O=C([O-])C1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCSCC1 ZINC000570579045 319678637 /nfs/dbraw/zinc/67/86/37/319678637.db2.gz ZGAYIPKBLFPWAX-UHFFFAOYSA-N -1 0 325.346 2.067 20 5 EEBDRM COC[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000571924962 319799508 /nfs/dbraw/zinc/79/95/08/319799508.db2.gz UNRCDPXPMANZOV-SECBINFHSA-N -1 0 328.752 2.452 20 5 EEBDRM Cc1cccc2c1OC[C@@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000575752556 320111451 /nfs/dbraw/zinc/11/14/51/320111451.db2.gz NMQZMQIYRFVTIO-LBPRGKRZSA-N -1 0 329.312 2.412 20 5 EEBDRM COc1nc(N(C)CCc2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000577377592 320252318 /nfs/dbraw/zinc/25/23/18/320252318.db2.gz PFXPDLYQQOEMRW-UHFFFAOYSA-N -1 0 331.328 2.376 20 5 EEBDRM O=C(Nc1nncn1-c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000182612638 323380416 /nfs/dbraw/zinc/38/04/16/323380416.db2.gz ZWFDLYBMADYZLR-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([O-])[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 ZINC000580052277 323982080 /nfs/dbraw/zinc/98/20/80/323982080.db2.gz AUZUILYVNZLBRD-GFCCVEGCSA-N -1 0 335.341 2.008 20 5 EEBDRM O=C([O-])c1cnc(NCCSCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000580895616 324148973 /nfs/dbraw/zinc/14/89/73/324148973.db2.gz WAXUXENUNREMDL-UHFFFAOYSA-N -1 0 325.268 2.395 20 5 EEBDRM Cc1cc(N2CCCc3c(cnn3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581669286 324300403 /nfs/dbraw/zinc/30/04/03/324300403.db2.gz MDVUESZDXNNFMJ-UHFFFAOYSA-N -1 0 330.344 2.288 20 5 EEBDRM CC(C)OCc1nc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])no1 ZINC000339206111 465142414 /nfs/dbraw/zinc/14/24/14/465142414.db2.gz ZZPLHHBXLYXFJO-JTQLQIEISA-N -1 0 336.348 2.459 20 5 EEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2n[nH]cc21 ZINC000158912371 463258141 /nfs/dbraw/zinc/25/81/41/463258141.db2.gz KGBRWCDXKKXSJF-UHFFFAOYSA-N -1 0 348.340 2.286 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000160570279 463350692 /nfs/dbraw/zinc/35/06/92/463350692.db2.gz KNFQARGPRVXWPH-UHFFFAOYSA-N -1 0 331.357 2.233 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H]1n1ccnc1 ZINC000160965188 463386168 /nfs/dbraw/zinc/38/61/68/463386168.db2.gz YVNJDIQSWQFXKO-RISCZKNCSA-N -1 0 330.344 2.220 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)N(CCC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000276860819 463785520 /nfs/dbraw/zinc/78/55/20/463785520.db2.gz GGPLCPIGCOTFOB-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1cc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000261603378 463798189 /nfs/dbraw/zinc/79/81/89/463798189.db2.gz CCUJNKHVWKYLRQ-CYBMUJFWSA-N -1 0 346.261 2.382 20 5 EEBDRM Nc1c(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000262078436 463941556 /nfs/dbraw/zinc/94/15/56/463941556.db2.gz JVNOJRMFSWYOSA-PWSUYJOCSA-N -1 0 335.360 2.330 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000262147199 463957801 /nfs/dbraw/zinc/95/78/01/463957801.db2.gz LBXHZBPETBYPNV-ZUZCIYMTSA-N -1 0 338.385 2.399 20 5 EEBDRM CC(C)c1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000263520666 464122687 /nfs/dbraw/zinc/12/26/87/464122687.db2.gz HCKROHIVYWLOBG-LBPRGKRZSA-N -1 0 336.344 2.034 20 5 EEBDRM O=C([O-])C1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000263532481 464123913 /nfs/dbraw/zinc/12/39/13/464123913.db2.gz XHEHPZNOQAORTI-UHFFFAOYSA-N -1 0 347.371 2.132 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[nH]c(=O)c2ccccc12 ZINC000188644875 464332227 /nfs/dbraw/zinc/33/22/27/464332227.db2.gz RAJPVTMNZHHEHX-UHFFFAOYSA-N -1 0 325.280 2.394 20 5 EEBDRM CCCCCC[C@](C)(NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000271932450 464417990 /nfs/dbraw/zinc/41/79/90/464417990.db2.gz KNRLZFMSRBLBAX-HNNXBMFYSA-N -1 0 340.380 2.111 20 5 EEBDRM O=C([O-])C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000238031846 464422112 /nfs/dbraw/zinc/42/21/12/464422112.db2.gz OKFOFESFGITHSR-UHFFFAOYSA-N -1 0 347.371 2.132 20 5 EEBDRM O=[N+]([O-])c1ccc(-c2noc([N-][C@@H]3c4ccccc4C[C@@H]3O)n2)cc1 ZINC000359467897 465410238 /nfs/dbraw/zinc/41/02/38/465410238.db2.gz SKDGUYJHADMONT-LSDHHAIUSA-N -1 0 338.323 2.715 20 5 EEBDRM COCCN(CC(=O)[O-])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000591269592 468434587 /nfs/dbraw/zinc/43/45/87/468434587.db2.gz GJUJVRATIFXFOE-UHFFFAOYSA-N -1 0 334.328 2.388 20 5 EEBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3n[nH]c(-c4ccccc4)n3)no2)[nH]1 ZINC000356727210 465508997 /nfs/dbraw/zinc/50/89/97/465508997.db2.gz HCLFZRIPDDOHBA-UHFFFAOYSA-N -1 0 337.299 2.349 20 5 EEBDRM CCc1ccc([C@@H](CO)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356768590 465529459 /nfs/dbraw/zinc/52/94/59/465529459.db2.gz HCQGYISWRPAJBV-MRXNPFEDSA-N -1 0 330.340 2.326 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000353113083 465649080 /nfs/dbraw/zinc/64/90/80/465649080.db2.gz SQENEAAWLKROFE-RYUDHWBXSA-N -1 0 349.387 2.114 20 5 EEBDRM Nc1c(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000362677309 465931228 /nfs/dbraw/zinc/93/12/28/465931228.db2.gz XZGPQXUQBQQXIT-HNNXBMFYSA-N -1 0 341.323 2.001 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000350646748 466561848 /nfs/dbraw/zinc/56/18/48/466561848.db2.gz LJFPTEZYSAWVFM-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM O=C([O-])C[C@@H]1CSCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000319870820 466600168 /nfs/dbraw/zinc/60/01/68/466600168.db2.gz TXHDAVNLMYXIOV-MUBLQREKSA-N -1 0 336.369 2.027 20 5 EEBDRM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000320127562 466604308 /nfs/dbraw/zinc/60/43/08/466604308.db2.gz FXKKFHOPODQWAE-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000325219571 466655577 /nfs/dbraw/zinc/65/55/77/466655577.db2.gz AUTDLJGAWOGRJW-UHFFFAOYSA-N -1 0 330.344 2.381 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000325400205 466657858 /nfs/dbraw/zinc/65/78/58/466657858.db2.gz OUHPPUXFOIESHP-JTQLQIEISA-N -1 0 339.348 2.472 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000431442365 467516304 /nfs/dbraw/zinc/51/63/04/467516304.db2.gz AUASKZBDJDEMCQ-OAHLLOKOSA-N -1 0 341.323 2.122 20 5 EEBDRM CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c(O)c1 ZINC000436715169 467552406 /nfs/dbraw/zinc/55/24/06/467552406.db2.gz VXTODWLYZKGWIY-UHFFFAOYSA-N -1 0 346.295 2.435 20 5 EEBDRM O=C(NCc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436790522 467554695 /nfs/dbraw/zinc/55/46/95/467554695.db2.gz GOSUDOSRFOJBGC-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000456335330 467710413 /nfs/dbraw/zinc/71/04/13/467710413.db2.gz VYRNHCVXQFPPAP-LRDDRELGSA-N -1 0 343.339 2.346 20 5 EEBDRM O=C(/C=C\c1ccccc1[N+](=O)[O-])NC1(C(=O)[O-])CCSCC1 ZINC000492841522 467770459 /nfs/dbraw/zinc/77/04/59/467770459.db2.gz PRLZHYCCPGGCII-WAYWQWQTSA-N -1 0 336.369 2.075 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493287892 467878925 /nfs/dbraw/zinc/87/89/25/467878925.db2.gz MXPMZGNTAYBCKS-XCZGOCCESA-N -1 0 348.330 2.459 20 5 EEBDRM O=C(Nc1cnn(-c2ccccn2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000532279385 468107483 /nfs/dbraw/zinc/10/74/83/468107483.db2.gz KGHSPKPYHNMJMU-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000518776893 468126093 /nfs/dbraw/zinc/12/60/93/468126093.db2.gz NQALPDIRYKPEIQ-AWEZNQCLSA-N -1 0 347.302 2.405 20 5 EEBDRM C[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000590423235 468252049 /nfs/dbraw/zinc/25/20/49/468252049.db2.gz IMEVOTNODBTPFM-MRVPVSSYSA-N -1 0 328.284 2.328 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C)CCC(C)C)cc1[N+](=O)[O-] ZINC000592135367 468632776 /nfs/dbraw/zinc/63/27/76/468632776.db2.gz HGPMTBSBUPAYLW-UHFFFAOYSA-N -1 0 344.389 2.268 20 5 EEBDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000600877209 468673432 /nfs/dbraw/zinc/67/34/32/468673432.db2.gz IPGPVDVAJRDDRZ-UHFFFAOYSA-N -1 0 346.343 2.444 20 5 EEBDRM Cc1cc(Br)c([O-])c(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000558755532 468713853 /nfs/dbraw/zinc/71/38/53/468713853.db2.gz NPZHNHSPOYBKRJ-UHFFFAOYSA-N -1 0 341.121 2.347 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000559860306 468758422 /nfs/dbraw/zinc/75/84/22/468758422.db2.gz ZSTAERPFQKYHGK-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM Cn1cc([C@@H]2N(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2(C)C)cn1 ZINC000571411192 468786145 /nfs/dbraw/zinc/78/61/45/468786145.db2.gz VRFSLQMOSRZNES-AWEZNQCLSA-N -1 0 330.344 2.257 20 5 EEBDRM C[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000584031524 468788838 /nfs/dbraw/zinc/78/88/38/468788838.db2.gz UFZGSRNIUMAACX-BXUZGUMPSA-N -1 0 335.360 2.032 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]12 ZINC000595245365 468791818 /nfs/dbraw/zinc/79/18/18/468791818.db2.gz NSQXXBVJTZMBDS-OUCADQQQSA-N -1 0 333.344 2.095 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593290027 468929290 /nfs/dbraw/zinc/92/92/90/468929290.db2.gz AYEUWLWHYWVIMT-BXKDBHETSA-N -1 0 332.316 2.082 20 5 EEBDRM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(CCC(=O)[O-])CC1 ZINC000595881194 469061650 /nfs/dbraw/zinc/06/16/50/469061650.db2.gz AONPJDZARJRKAW-GFCCVEGCSA-N -1 0 349.387 2.499 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000595979126 469105349 /nfs/dbraw/zinc/10/53/49/469105349.db2.gz REZUAVBAWSBOIR-IHBFAXJASA-N -1 0 334.250 2.250 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000610892072 469106662 /nfs/dbraw/zinc/10/66/62/469106662.db2.gz PHFPMDCCGJPSBK-LBPRGKRZSA-N -1 0 335.360 2.110 20 5 EEBDRM Cc1cc(N2CCO[C@@](C)(C(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000596026594 469121889 /nfs/dbraw/zinc/12/18/89/469121889.db2.gz QSCISLMRIWPRPV-CQSZACIVSA-N -1 0 330.287 2.462 20 5 EEBDRM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000611508695 469267325 /nfs/dbraw/zinc/26/73/25/469267325.db2.gz OKXIZVNNPVCBGC-BXUZGUMPSA-N -1 0 330.340 2.195 20 5 EEBDRM CCc1csc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n1 ZINC000619507043 469628830 /nfs/dbraw/zinc/62/88/30/469628830.db2.gz VQTVMWVJMNPAAS-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000191048429 534264997 /nfs/dbraw/zinc/26/49/97/534264997.db2.gz VCCNLEYEBGXMLK-MRXNPFEDSA-N -1 0 329.312 2.080 20 5 EEBDRM C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000262186263 518182310 /nfs/dbraw/zinc/18/23/10/518182310.db2.gz HBFUCJPHSCYTEH-UWVGGRQHSA-N -1 0 326.374 2.302 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000186406656 534715598 /nfs/dbraw/zinc/71/55/98/534715598.db2.gz RZOJZSSVYJHINY-CQSZACIVSA-N -1 0 343.339 2.127 20 5 EEBDRM CC(C)(C)OC(=O)N1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000491419665 534851111 /nfs/dbraw/zinc/85/11/11/534851111.db2.gz SEFFQCRKMFNCAB-SECBINFHSA-N -1 0 325.321 2.089 20 5 EEBDRM COC(=O)c1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000738053119 577997809 /nfs/dbraw/zinc/99/78/09/577997809.db2.gz SNRHASJDHHIGIY-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccsc1C(=O)[O-] ZINC000738304818 578008734 /nfs/dbraw/zinc/00/87/34/578008734.db2.gz GYCOZCWDKGLJRF-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1[nH]nc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000738249747 576249280 /nfs/dbraw/zinc/24/92/80/576249280.db2.gz ZYXBPCKVYBVDFX-UHFFFAOYSA-N -1 0 348.315 2.122 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000733059952 577201389 /nfs/dbraw/zinc/20/13/89/577201389.db2.gz FMWWXQXKVRJBGE-UHFFFAOYSA-N -1 0 328.390 2.399 20 5 EEBDRM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)[N-]O[C@H]1CCCCO1 ZINC000769496393 577579180 /nfs/dbraw/zinc/57/91/80/577579180.db2.gz HSPGGLVPFJLMOZ-HNNXBMFYSA-N -1 0 347.327 2.096 20 5 EEBDRM COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000770855883 577604855 /nfs/dbraw/zinc/60/48/55/577604855.db2.gz HTWRZDJVWSZZPV-UHFFFAOYSA-N -1 0 347.283 2.398 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000744133146 577893269 /nfs/dbraw/zinc/89/32/69/577893269.db2.gz VNJQMTSVAGYTIY-NSHDSACASA-N -1 0 328.390 2.399 20 5 EEBDRM Cc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738716853 578024693 /nfs/dbraw/zinc/02/46/93/578024693.db2.gz FFFDGAFPTXMYAE-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM O=C([O-])COc1cccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000739833839 578069346 /nfs/dbraw/zinc/06/93/46/578069346.db2.gz AIXWMUFXBNMOEI-UHFFFAOYSA-N -1 0 345.311 2.380 20 5 EEBDRM C[C@]1(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000736739137 578221114 /nfs/dbraw/zinc/22/11/14/578221114.db2.gz WVPNUWMVTKUITI-CYBMUJFWSA-N -1 0 325.277 2.040 20 5 EEBDRM Cc1nc2c(cnn2C)c(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000738865577 578244585 /nfs/dbraw/zinc/24/45/85/578244585.db2.gz VYFBOJWVJHMLQW-UHFFFAOYSA-N -1 0 329.272 2.070 20 5 EEBDRM CCn1cnc2c1ncnc2Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000737302971 578249253 /nfs/dbraw/zinc/24/92/53/578249253.db2.gz KNZPIQWRNRFMQO-UHFFFAOYSA-N -1 0 329.272 2.245 20 5 EEBDRM COC(=O)N1CCC[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737632733 578267751 /nfs/dbraw/zinc/26/77/51/578267751.db2.gz IGLMAMPSKOUUQU-HOSRBBHYSA-N -1 0 349.343 2.335 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262389958 600024205 /nfs/dbraw/zinc/02/42/05/600024205.db2.gz RCAQXNCZHWPVIV-VIFPVBQESA-N -1 0 344.751 2.339 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263288051 600653157 /nfs/dbraw/zinc/65/31/57/600653157.db2.gz UVCANZVECUHZMM-CYBMUJFWSA-N -1 0 335.360 2.034 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2csc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000832952136 600696105 /nfs/dbraw/zinc/69/61/05/600696105.db2.gz TVIVGRJRAAJACD-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM CC(C)CC[C@](C)(O)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262444706 600781202 /nfs/dbraw/zinc/78/12/02/600781202.db2.gz VHMYTMOMQKOSFT-INIZCTEOSA-N -1 0 338.360 2.210 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000832905747 600997065 /nfs/dbraw/zinc/99/70/65/600997065.db2.gz SMLVPNPQQATLGK-MRXNPFEDSA-N -1 0 343.339 2.257 20 5 EEBDRM CC1(O)CCC(Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000828110478 601252541 /nfs/dbraw/zinc/25/25/41/601252541.db2.gz DKUTWNQYFOHZCX-UHFFFAOYSA-N -1 0 339.304 2.307 20 5 EEBDRM COC[C@@](C)(CC(=O)[O-])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000831559612 601296949 /nfs/dbraw/zinc/29/69/49/601296949.db2.gz UJBKNSNXTMDVKH-CYBMUJFWSA-N -1 0 345.739 2.250 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC000833311657 601689653 /nfs/dbraw/zinc/68/96/53/601689653.db2.gz YPZZSAAJEIZBRB-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000833115553 601742846 /nfs/dbraw/zinc/74/28/46/601742846.db2.gz SRDAGKFBNKLDKV-OAHLLOKOSA-N -1 0 348.286 2.055 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263293066 602083538 /nfs/dbraw/zinc/08/35/38/602083538.db2.gz VPZJIBQKMGCZAX-KRWDZBQOSA-N -1 0 349.387 2.424 20 5 EEBDRM Cc1nc(NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833002835 602130532 /nfs/dbraw/zinc/13/05/32/602130532.db2.gz HJILKZVYGGTLME-GFCCVEGCSA-N -1 0 331.328 2.359 20 5 EEBDRM O=C([O-])N1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000831598361 603886632 /nfs/dbraw/zinc/88/66/32/603886632.db2.gz GKKBCCBBICRCOG-UHFFFAOYSA-N -1 0 327.724 2.120 20 5 EEBDRM O=[N+]([O-])c1ncccc1Oc1snc(Cl)c1-c1nnn[n-]1 ZINC000826500545 608171606 /nfs/dbraw/zinc/17/16/06/608171606.db2.gz BQANVZAVAVUEFU-UHFFFAOYSA-N -1 0 325.697 2.072 20 5 EEBDRM Cc1cc([C@@](C)(O)CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(C)o1 ZINC000179528743 679932789 /nfs/dbraw/zinc/93/27/89/679932789.db2.gz HAYXBNCQSLMKQD-INIZCTEOSA-N -1 0 334.328 2.148 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000263389621 689766320 /nfs/dbraw/zinc/76/63/20/689766320.db2.gz YKYZVCDHWOCAHH-DTWKUNHWSA-N -1 0 326.736 2.431 20 5 EEBDRM O=C([O-])[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C(F)(F)F ZINC000263545345 690103835 /nfs/dbraw/zinc/10/38/35/690103835.db2.gz GNDSFEQBWIAZIY-RNFRBKRXSA-N -1 0 339.657 2.343 20 5 EEBDRM Cc1cc(F)cc(C(=O)NCc2nc(C(=O)[O-])cs2)c1[N+](=O)[O-] ZINC000124306823 1198434874 /nfs/dbraw/zinc/43/48/74/1198434874.db2.gz XLLUBTVHQXOZDK-UHFFFAOYSA-N -1 0 339.304 2.127 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc(O)c1F ZINC000131523916 1202048444 /nfs/dbraw/zinc/04/84/44/1202048444.db2.gz XKHCPQLOIZJOLZ-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM COCCN(CCC(=O)[O-])c1ccc([N+](=O)[O-])cc1Br ZINC000900979969 1235073812 /nfs/dbraw/zinc/07/38/12/1235073812.db2.gz SSMRLCGTMDKBQD-UHFFFAOYSA-N -1 0 347.165 2.285 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000815893299 1278289939 /nfs/dbraw/zinc/28/99/39/1278289939.db2.gz YVWSRZRWRODBCJ-HTAVTVPLSA-N -1 0 338.385 2.226 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000850885866 1277380951 /nfs/dbraw/zinc/38/09/51/1277380951.db2.gz LHVGWPAPHKSFAG-MGCOHNPYSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1ocnc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815028556 1278042873 /nfs/dbraw/zinc/04/28/73/1278042873.db2.gz BOJQKEZNPGNSJR-UHFFFAOYSA-N -1 0 349.727 2.162 20 5 EEBDRM COc1cnc(-c2noc(-c3c([O-])cccc3[N+](=O)[O-])n2)c(OC)c1 ZINC001216846934 1297311330 /nfs/dbraw/zinc/31/13/30/1297311330.db2.gz HAJCKFAUILUCSF-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM CC1(C)COC(=O)[C@@H]1Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228861892 1302488949 /nfs/dbraw/zinc/48/89/49/1302488949.db2.gz JAWJVQQXWFUSSX-QMMMGPOBSA-N -1 0 336.222 2.045 20 5 EEBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(OC2CN(Cc3ccccc3)C2)cc1[O-] ZINC001231221368 1303687659 /nfs/dbraw/zinc/68/76/59/1303687659.db2.gz OAZZESYEDLUQIU-UHFFFAOYSA-N -1 0 345.311 2.472 20 5 EEBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CC(=O)N(Cc3ccccc3)C2)[n-]1 ZINC001231263791 1303708920 /nfs/dbraw/zinc/70/89/20/1303708920.db2.gz LXWSMLVBLHHGLF-ZDUSSCGKSA-N -1 0 343.339 2.184 20 5 EEBDRM COC(=O)[C@@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001231265097 1303712154 /nfs/dbraw/zinc/71/21/54/1303712154.db2.gz XUKXHDGCGGRVKM-ZDUSSCGKSA-N -1 0 336.275 2.436 20 5 EEBDRM O=C(Oc1ccc2c(c1)NC(=O)CC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000781153159 1303747679 /nfs/dbraw/zinc/74/76/79/1303747679.db2.gz TYYQCSVJGDLFRO-UHFFFAOYSA-N -1 0 328.280 2.404 20 5 EEBDRM CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000835231097 1314906088 /nfs/dbraw/zinc/90/60/88/1314906088.db2.gz FLWZJYWOXKTBNQ-MWLCHTKSSA-N -1 0 344.364 2.221 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C2(C)CCCC2)cccc1[N+](=O)[O-] ZINC000842407577 1315698976 /nfs/dbraw/zinc/69/89/76/1315698976.db2.gz XNSWIRVIFCOIMQ-UHFFFAOYSA-N -1 0 340.401 2.430 20 5 EEBDRM O=C([O-])c1ccc(N[C@H]2CCc3[nH]c(=O)ccc3C2)cc1[N+](=O)[O-] ZINC001163564804 1321158599 /nfs/dbraw/zinc/15/85/99/1321158599.db2.gz XLTMWAXTMBZRTJ-JTQLQIEISA-N -1 0 329.312 2.363 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@H]1SC(=O)[N-]C1=O ZINC001163674522 1321189340 /nfs/dbraw/zinc/18/93/40/1321189340.db2.gz PVVFEQOEQGZFBA-LBPRGKRZSA-N -1 0 325.346 2.411 20 5 EEBDRM Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C(=O)[O-])cc1C ZINC001600383810 1350036458 /nfs/dbraw/zinc/03/64/58/1350036458.db2.gz ILAKTZBLMHDTRR-AWEZNQCLSA-N -1 0 331.328 2.106 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001601288841 1350249788 /nfs/dbraw/zinc/24/97/88/1350249788.db2.gz AINVDWVJPSWXJC-CQSZACIVSA-N -1 0 344.726 2.206 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC001602392246 1350509597 /nfs/dbraw/zinc/50/95/97/1350509597.db2.gz UIUJQWNPMMQCSM-UHFFFAOYSA-N -1 0 339.300 2.406 20 5 EEBDRM O=C([O-])c1cc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC001608842995 1351776899 /nfs/dbraw/zinc/77/68/99/1351776899.db2.gz MRTDXMUGDLUOOQ-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2cccc(OC(F)F)c2)c1 ZINC001608863324 1351780763 /nfs/dbraw/zinc/78/07/63/1351780763.db2.gz WPPNVZHWIMVAQW-UHFFFAOYSA-N -1 0 340.238 2.104 20 5 EEBDRM O=C([O-])c1ccc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)cn1 ZINC001608869468 1351782216 /nfs/dbraw/zinc/78/22/16/1351782216.db2.gz KVRFEACXPMMUTQ-UHFFFAOYSA-N -1 0 342.267 2.317 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ncc(C(F)(F)F)cn2)n1 ZINC001608915926 1351793478 /nfs/dbraw/zinc/79/34/78/1351793478.db2.gz ZHSGRLQCNXQBSO-UHFFFAOYSA-N -1 0 343.221 2.109 20 5 EEBDRM O=C([O-])c1ncccc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001609000069 1351811398 /nfs/dbraw/zinc/81/13/98/1351811398.db2.gz IFTKCJCGWXUZSQ-RYUDHWBXSA-N -1 0 327.296 2.430 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC001609011801 1351813882 /nfs/dbraw/zinc/81/38/82/1351813882.db2.gz GNLSVGPICVJULB-ZDUSSCGKSA-N -1 0 345.263 2.306 20 5 EEBDRM Cc1coc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC001322073447 1333204863 /nfs/dbraw/zinc/20/48/63/1333204863.db2.gz LIPVDRIKIYYLNU-UHFFFAOYSA-N -1 0 338.341 2.232 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1csc([N+](=O)[O-])c1)c1ccncc1 ZINC001609730166 1352071189 /nfs/dbraw/zinc/07/11/89/1352071189.db2.gz LWOVJBGCQAZCSJ-AWEZNQCLSA-N -1 0 335.341 2.171 20 5 EEBDRM CC1(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC001609818467 1352092791 /nfs/dbraw/zinc/09/27/91/1352092791.db2.gz OGAPLGYDKRRSCJ-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM CCNc1nnc(Sc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])s1 ZINC001610010835 1352140257 /nfs/dbraw/zinc/14/02/57/1352140257.db2.gz RUCGBTGRBSPAJB-UHFFFAOYSA-N -1 0 341.374 2.431 20 5 EEBDRM Cc1c(NC(=O)NC[C@@H]2CCCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610425056 1352220623 /nfs/dbraw/zinc/22/06/23/1352220623.db2.gz SXYYMYZOKAOHGF-JTQLQIEISA-N -1 0 337.332 2.150 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001610418246 1352219401 /nfs/dbraw/zinc/21/94/01/1352219401.db2.gz PUQDARLPXNZFOR-MRVPVSSYSA-N -1 0 341.291 2.268 20 5 EEBDRM Cc1c(NC(=O)NCCOCC2CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610423271 1352220382 /nfs/dbraw/zinc/22/03/82/1352220382.db2.gz FRSUFKZDEQSYMY-UHFFFAOYSA-N -1 0 337.332 2.150 20 5 EEBDRM NC(=O)[C@H]1CC[C@@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001610639358 1352256708 /nfs/dbraw/zinc/25/67/08/1352256708.db2.gz WWMJEVAJLOVAQR-NKWVEPMBSA-N -1 0 327.724 2.012 20 5 EEBDRM O=C([O-])C1=NOC2(C1)CCN(c1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC001610731175 1352265965 /nfs/dbraw/zinc/26/59/65/1352265965.db2.gz HCYRFNSLTLHCGH-UHFFFAOYSA-N -1 0 339.735 2.448 20 5 EEBDRM O=C([O-])CCSCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC001610776322 1352272465 /nfs/dbraw/zinc/27/24/65/1352272465.db2.gz AWAFOEMMSCDXRB-UHFFFAOYSA-N -1 0 328.375 2.219 20 5 EEBDRM O=[N+]([O-])c1cc(F)ccc1COc1ccc(F)nc1-c1nnn[n-]1 ZINC001593470553 1349805535 /nfs/dbraw/zinc/80/55/35/1349805535.db2.gz FHOPVNNIGBNSBC-UHFFFAOYSA-N -1 0 334.242 2.027 20 5 EEBDRM Cc1c(NC(=O)NO[C@@H]2CCCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044029 1349961044 /nfs/dbraw/zinc/96/10/44/1349961044.db2.gz BMUDOPOCCPQOPR-GFCCVEGCSA-N -1 0 339.304 2.181 20 5 EEBDRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)nc(C)n1 ZINC001600099485 1349971022 /nfs/dbraw/zinc/97/10/22/1349971022.db2.gz UBVFVYDZOWDLOG-UHFFFAOYSA-N -1 0 330.300 2.261 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCOC[C@H]2c2ccco2)n1 ZINC001600105001 1349972242 /nfs/dbraw/zinc/97/22/42/1349972242.db2.gz LEDVIEZFLPVXBN-NSHDSACASA-N -1 0 333.300 2.167 20 5 EEBDRM Cc1cc(C)nc(C2CN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])C2)n1 ZINC001600181515 1349987436 /nfs/dbraw/zinc/98/74/36/1349987436.db2.gz FHEFNDBUCQPLFY-UHFFFAOYSA-N -1 0 343.343 2.007 20 5 EEBDRM Cc1cc(N(C)Cc2ccc(C(N)=O)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600235703 1349998629 /nfs/dbraw/zinc/99/86/29/1349998629.db2.gz LAHDGZVWSNWZIB-UHFFFAOYSA-N -1 0 343.339 2.337 20 5 EEBDRM Cc1cc(NCc2ccc(CC(N)=O)cc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600283443 1350010785 /nfs/dbraw/zinc/01/07/85/1350010785.db2.gz YMHCBHYXNYYVOC-UHFFFAOYSA-N -1 0 343.339 2.241 20 5 EEBDRM Cc1cc(OCC(=O)N2CCCCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600287515 1350011483 /nfs/dbraw/zinc/01/14/83/1350011483.db2.gz FGUMBBRAUXRCHD-CQSZACIVSA-N -1 0 336.344 2.138 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001600489715 1350063923 /nfs/dbraw/zinc/06/39/23/1350063923.db2.gz XKRKORSEZZZTOA-DGCLKSJQSA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1ccc2nc(-c3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)[nH]c2n1 ZINC001600502215 1350067662 /nfs/dbraw/zinc/06/76/62/1350067662.db2.gz VSQNSPKDTYPLNI-UHFFFAOYSA-N -1 0 328.284 2.305 20 5 EEBDRM Cc1nc(N[C@H](C)c2ccc(OCC(=O)[O-])cc2)ncc1[N+](=O)[O-] ZINC001600714341 1350119860 /nfs/dbraw/zinc/11/98/60/1350119860.db2.gz NUBKISDXRYEPKK-SECBINFHSA-N -1 0 332.316 2.330 20 5 EEBDRM Cc1sc(C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)cc1[N+](=O)[O-] ZINC001600865719 1350155260 /nfs/dbraw/zinc/15/52/60/1350155260.db2.gz PMNUGEJBPKZLMK-LBPRGKRZSA-N -1 0 336.325 2.226 20 5 EEBDRM Nc1ccc(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001601215981 1350233586 /nfs/dbraw/zinc/23/35/86/1350233586.db2.gz UBVXSZJHEQQWGR-KRWDZBQOSA-N -1 0 327.340 2.410 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)CC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC001601242604 1350240061 /nfs/dbraw/zinc/24/00/61/1350240061.db2.gz IPFPGKBFAOWWFN-UHFFFAOYSA-N -1 0 325.170 2.489 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001601268416 1350245675 /nfs/dbraw/zinc/24/56/75/1350245675.db2.gz CODZCHBHYRPBGL-ZIAGYGMSSA-N -1 0 335.360 2.156 20 5 EEBDRM O=C([O-])[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001601345343 1350262434 /nfs/dbraw/zinc/26/24/34/1350262434.db2.gz CBSCENHMRLUKPX-OAHLLOKOSA-N -1 0 331.280 2.343 20 5 EEBDRM O=C([O-])[C@@H](CCF)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001601414761 1350279652 /nfs/dbraw/zinc/27/96/52/1350279652.db2.gz UURZLCRWWSLHQG-MRVPVSSYSA-N -1 0 338.213 2.156 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001601900873 1350392940 /nfs/dbraw/zinc/39/29/40/1350392940.db2.gz JKRWKCGVIYSEOY-GFCCVEGCSA-N -1 0 336.344 2.123 20 5 EEBDRM O=C([O-])CCSCCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001602028651 1350421695 /nfs/dbraw/zinc/42/16/95/1350421695.db2.gz JRRNGRHEQVCIEP-QWHCGFSZSA-N -1 0 338.385 2.022 20 5 EEBDRM O=C([O-])COc1ccc(CN2CC(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001602082424 1350432496 /nfs/dbraw/zinc/43/24/96/1350432496.db2.gz AXTLNEAXSQBGGY-UHFFFAOYSA-N -1 0 348.277 2.442 20 5 EEBDRM O=C([O-])Cc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001602118563 1350443127 /nfs/dbraw/zinc/44/31/27/1350443127.db2.gz ABJGGPWTRZIXOI-UHFFFAOYSA-N -1 0 328.324 2.081 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001602408919 1350512808 /nfs/dbraw/zinc/51/28/08/1350512808.db2.gz WYSPRXUVCRYCSK-UHFFFAOYSA-N -1 0 346.251 2.463 20 5 EEBDRM CC(C)[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001603729975 1350752786 /nfs/dbraw/zinc/75/27/86/1350752786.db2.gz FPHROFKMPUMDMJ-CYBMUJFWSA-N -1 0 328.752 2.406 20 5 EEBDRM CC(C)[C@@]1(C)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001603744828 1350756785 /nfs/dbraw/zinc/75/67/85/1350756785.db2.gz CJJQVGPZKZKOHG-GXTWGEPZSA-N -1 0 342.373 2.006 20 5 EEBDRM CC(C)CN(CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001603804382 1350771841 /nfs/dbraw/zinc/77/18/41/1350771841.db2.gz APGSMWVZUXDNMM-UHFFFAOYSA-N -1 0 343.767 2.229 20 5 EEBDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001603831875 1350778593 /nfs/dbraw/zinc/77/85/93/1350778593.db2.gz KIHOJWONTSHDTB-ZDUSSCGKSA-N -1 0 338.360 2.321 20 5 EEBDRM CC(C)c1nnc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)o1 ZINC001604021049 1350831398 /nfs/dbraw/zinc/83/13/98/1350831398.db2.gz LHHSCMLUKXFEOM-HNNXBMFYSA-N -1 0 334.332 2.191 20 5 EEBDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001604461374 1350942319 /nfs/dbraw/zinc/94/23/19/1350942319.db2.gz MKYXAPZPHQTRJK-LLVKDONJSA-N -1 0 346.343 2.164 20 5 EEBDRM C[C@]12COC[C@@H]1CN(c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])C2 ZINC001604606928 1350968868 /nfs/dbraw/zinc/96/88/68/1350968868.db2.gz VIZKJZQCCGSJEN-RTHLEPHNSA-N -1 0 326.736 2.419 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001604635685 1350974063 /nfs/dbraw/zinc/97/40/63/1350974063.db2.gz CSFNCOVAWAQPKW-APPZFPTMSA-N -1 0 336.735 2.491 20 5 EEBDRM C[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C(=O)[O-])C1 ZINC001604757549 1350998115 /nfs/dbraw/zinc/99/81/15/1350998115.db2.gz VTJUGCVNBIBTMR-GWCFXTLKSA-N -1 0 346.343 2.330 20 5 EEBDRM CC[C@](C)(CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])OC ZINC001604906139 1351029477 /nfs/dbraw/zinc/02/94/77/1351029477.db2.gz KUQWHRBWJCGDQG-CYBMUJFWSA-N -1 0 327.293 2.428 20 5 EEBDRM CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001605150666 1351089059 /nfs/dbraw/zinc/08/90/59/1351089059.db2.gz DQKHFUZYDYPBLK-JOYOIKCWSA-N -1 0 342.373 2.102 20 5 EEBDRM CO[C@@H]1CN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)[C@@](C)(C(=O)[O-])C1 ZINC001606761115 1351353145 /nfs/dbraw/zinc/35/31/45/1351353145.db2.gz QOTPIBHKEPACHA-CIZGOSNJSA-N -1 0 348.355 2.089 20 5 EEBDRM COc1ccc(C(=O)[O-])c2c1CN(c1ncc([N+](=O)[O-])s1)CC2 ZINC001607214934 1351450331 /nfs/dbraw/zinc/45/03/31/1351450331.db2.gz AVZOZIJWGVHGSG-UHFFFAOYSA-N -1 0 335.341 2.321 20 5 EEBDRM Cc1c(CNC(=O)Cc2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC001607527837 1351510997 /nfs/dbraw/zinc/51/09/97/1351510997.db2.gz IHYMMVHDTLMCIJ-UHFFFAOYSA-N -1 0 328.324 2.460 20 5 EEBDRM Cc1cc(C2CCN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])CC2)n[nH]1 ZINC001607634469 1351529956 /nfs/dbraw/zinc/52/99/56/1351529956.db2.gz HYBFMPWEUMPHGH-UHFFFAOYSA-N -1 0 345.359 2.412 20 5 EEBDRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001607734112 1351548818 /nfs/dbraw/zinc/54/88/18/1351548818.db2.gz FDEFVEYUEQKPQG-UHFFFAOYSA-N -1 0 345.311 2.358 20 5 EEBDRM Cc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c(N)c1[N+](=O)[O-] ZINC001607805937 1351563157 /nfs/dbraw/zinc/56/31/57/1351563157.db2.gz NLUDSALPDKYEAS-UHFFFAOYSA-N -1 0 345.311 2.201 20 5 EEBDRM Cn1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c([N+](=O)[O-])n1 ZINC001608114516 1351627663 /nfs/dbraw/zinc/62/76/63/1351627663.db2.gz LLVNAUZJHRCBPN-NSHDSACASA-N -1 0 342.714 2.036 20 5 EEBDRM Nc1c(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001608267022 1351659369 /nfs/dbraw/zinc/65/93/69/1351659369.db2.gz RBMIVIYAUDREDM-LLVKDONJSA-N -1 0 335.360 2.188 20 5 EEBDRM O=C([O-])c1ccc(NCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001164602464 1372926882 /nfs/dbraw/zinc/92/68/82/1372926882.db2.gz LCGQGYOGDWAGCS-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001605701162 1404750654 /nfs/dbraw/zinc/75/06/54/1404750654.db2.gz ISMVUXPCTDAUJQ-JTQLQIEISA-N -1 0 337.332 2.465 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001606147588 1404769410 /nfs/dbraw/zinc/76/94/10/1404769410.db2.gz WKNKFIOAUIDEML-UHFFFAOYSA-N -1 0 338.747 2.462 20 5 EEBDRM O=C([O-])CC[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000261642467 779608844 /nfs/dbraw/zinc/60/88/44/779608844.db2.gz FCIXNRSBIAATEL-GFCCVEGCSA-N -1 0 336.344 2.077 20 5 EEBDRM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000070886403 780224731 /nfs/dbraw/zinc/22/47/31/780224731.db2.gz VOUIPZRTDSNKCP-UHFFFAOYSA-N -1 0 336.354 2.120 20 5 EEBDRM CCc1ccc([C@H](O)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000804156671 785583055 /nfs/dbraw/zinc/58/30/55/785583055.db2.gz LOAPKDSYRJVHQX-MRXNPFEDSA-N -1 0 330.340 2.326 20 5 EEBDRM CN(C[C@](C)(O)c1ccccc1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000844208221 788927107 /nfs/dbraw/zinc/92/71/07/788927107.db2.gz ASHVQQJWYFTRFG-INIZCTEOSA-N -1 0 331.328 2.032 20 5 EEBDRM CC(C)(C)[C@@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1O ZINC000844213049 788931006 /nfs/dbraw/zinc/93/10/06/788931006.db2.gz FVEYBESJDCXVSN-DOMZBBRYSA-N -1 0 336.388 2.455 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845468726 789801179 /nfs/dbraw/zinc/80/11/79/789801179.db2.gz SVGQMGHASRWNPO-WCABBAIRSA-N -1 0 342.398 2.064 20 5 EEBDRM Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000788139446 807391256 /nfs/dbraw/zinc/39/12/56/807391256.db2.gz LOSMXZILPCMHPC-UHFFFAOYSA-N -1 0 349.271 2.293 20 5 EEBDRM Cc1c(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000791016995 809034135 /nfs/dbraw/zinc/03/41/35/809034135.db2.gz LOLGAMAMNQUCOG-UHFFFAOYSA-N -1 0 331.284 2.447 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cccc(O)c1 ZINC000580510082 939771162 /nfs/dbraw/zinc/77/11/62/939771162.db2.gz WNBLBKSJIDDNDD-CYBMUJFWSA-N -1 0 349.274 2.387 20 5 EEBDRM CNc1c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001610960237 970808820 /nfs/dbraw/zinc/80/88/20/970808820.db2.gz NLAPLPQXUXUOCC-LLVKDONJSA-N -1 0 335.360 2.354 20 5 EEBDRM CCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@@H](C)C(=O)[O-] ZINC001589702739 950240666 /nfs/dbraw/zinc/24/06/66/950240666.db2.gz CYFGHIVHWXSCJV-LURJTMIESA-N -1 0 330.728 2.157 20 5 EEBDRM CCc1[nH]nc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1[N+](=O)[O-] ZINC001593625631 953547861 /nfs/dbraw/zinc/54/78/61/953547861.db2.gz KVGPKRJAKONXCJ-SNVBAGLBSA-N -1 0 344.327 2.099 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594665458 956570223 /nfs/dbraw/zinc/57/02/23/956570223.db2.gz DHJATYZVWFPZRE-AAEUAGOBSA-N -1 0 341.323 2.220 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)nc1 ZINC001574802503 957840702 /nfs/dbraw/zinc/84/07/02/957840702.db2.gz IDIPRPVZSKSREH-CHWSQXEVSA-N -1 0 327.296 2.430 20 5 EEBDRM CON(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](C)C(=O)[O-] ZINC001594039037 957845155 /nfs/dbraw/zinc/84/51/55/957845155.db2.gz JNXHWWGMHVBATJ-ZCFIWIBFSA-N -1 0 336.222 2.090 20 5 EEBDRM CSc1cccc(C(=O)NC[C@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC001594192707 959172590 /nfs/dbraw/zinc/17/25/90/959172590.db2.gz HGWPPSKUVVCBPH-JTQLQIEISA-N -1 0 326.374 2.403 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001594218023 959347665 /nfs/dbraw/zinc/34/76/65/959347665.db2.gz JFFHSJCPURMHKG-GMSGAONNSA-N -1 0 344.270 2.274 20 5 EEBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001588652707 959782128 /nfs/dbraw/zinc/78/21/28/959782128.db2.gz NXTZZSCUEVZXGM-UHFFFAOYSA-N -1 0 337.376 2.356 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574507649 961792087 /nfs/dbraw/zinc/79/20/87/961792087.db2.gz UUMLQUVDCJBGBQ-WFASDCNBSA-N -1 0 341.323 2.220 20 5 EEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001588920057 962366448 /nfs/dbraw/zinc/36/64/48/962366448.db2.gz AAXDFMOWUIGPMF-UHFFFAOYSA-N -1 0 332.316 2.067 20 5 EEBDRM O=C([O-])c1n[nH]cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001605840136 972577339 /nfs/dbraw/zinc/57/73/39/972577339.db2.gz KLJQQRAZPVNOBE-UHFFFAOYSA-N -1 0 344.205 2.287 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001605153108 972843005 /nfs/dbraw/zinc/84/30/05/972843005.db2.gz WJQRJAUDFHNRHW-CQSZACIVSA-N -1 0 343.339 2.032 20 5 EEBDRM COc1ccc(COC(=O)c2ncccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001604799871 974040685 /nfs/dbraw/zinc/04/06/85/974040685.db2.gz UIDAJOLVEMPEEF-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM O=C([O-])c1cncc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000903888290 981021741 /nfs/dbraw/zinc/02/17/41/981021741.db2.gz XZRYTWDCDLAYAL-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001594902567 982363622 /nfs/dbraw/zinc/36/36/22/982363622.db2.gz MYURWKSLGCHJTL-ISVAXAHUSA-N -1 0 344.751 2.243 20 5 EEBDRM CCOC(=O)N1CC[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001596646113 984659877 /nfs/dbraw/zinc/65/98/77/984659877.db2.gz ISTTZLPJYUENEE-TXNVCOODSA-N -1 0 349.343 2.335 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H](C(=O)[O-])O1 ZINC001599924654 985184108 /nfs/dbraw/zinc/18/41/08/985184108.db2.gz UMRHODHBVMJLLR-BONVTDFDSA-N -1 0 344.323 2.062 20 5 EEBDRM Cc1n[nH]c(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001599968464 985958610 /nfs/dbraw/zinc/95/86/10/985958610.db2.gz WBYVCBVVMZKXGU-RYUDHWBXSA-N -1 0 344.327 2.057 20 5 EEBDRM CCOc1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC001597055452 986529489 /nfs/dbraw/zinc/52/94/89/986529489.db2.gz ABSPOIAUUPBHTC-JTQLQIEISA-N -1 0 336.344 2.461 20 5 EEBDRM CC(C)(C(=O)Nc1ccnc(C(=O)[O-])n1)c1ccc([N+](=O)[O-])cc1F ZINC001589582816 987366165 /nfs/dbraw/zinc/36/61/65/987366165.db2.gz RSLNTBYZKFFHHQ-UHFFFAOYSA-N -1 0 348.290 2.138 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)OCc2cc(C(=O)[O-])sc2C)n1 ZINC001597899359 989769669 /nfs/dbraw/zinc/76/96/69/989769669.db2.gz IWKJGVNDWSKJFN-UHFFFAOYSA-N -1 0 339.329 2.236 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001599622656 994105924 /nfs/dbraw/zinc/10/59/24/994105924.db2.gz XVMSVIIUIOKGPN-HNNXBMFYSA-N -1 0 337.332 2.368 20 5 EEBDRM COC(=O)[C@@H](CC1CC1)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001598698323 995178617 /nfs/dbraw/zinc/17/86/17/995178617.db2.gz OVXRDUPEMYOEGC-SCXUMTSISA-N -1 0 334.328 2.446 20 5 EEBDRM CO[C@@]1(C(=O)[O-])CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001599078116 996925672 /nfs/dbraw/zinc/92/56/72/996925672.db2.gz PGQWJQCPPCEBPO-LBPRGKRZSA-N -1 0 334.250 2.294 20 5 EEBDRM COC(=O)[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1C1CC1 ZINC001598899221 997142716 /nfs/dbraw/zinc/14/27/16/997142716.db2.gz HARBTAYENPWBGX-QWHCGFSZSA-N -1 0 348.355 2.237 20 5 EEBDRM COCCC[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599226057 997761098 /nfs/dbraw/zinc/76/10/98/997761098.db2.gz YEORLVFLNAJMNT-BDJLRTHQSA-N -1 0 338.360 2.074 20 5 EEBDRM CO[C@H]1COCC[C@@H]1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001599137985 998076103 /nfs/dbraw/zinc/07/61/03/998076103.db2.gz FIRXUHLLHXLWLU-OQPBUACISA-N -1 0 344.751 2.410 20 5 EEBDRM COc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)ccc1[N+](=O)[O-] ZINC001599352848 998126455 /nfs/dbraw/zinc/12/64/55/998126455.db2.gz YEPCQJORNRDFRL-GFCCVEGCSA-N -1 0 336.325 2.221 20 5 EEBDRM COc1cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001599354361 998152709 /nfs/dbraw/zinc/15/27/09/998152709.db2.gz SPVICBLUJRQBFM-VIFPVBQESA-N -1 0 342.323 2.219 20 5 EEBDRM COc1cc([N+](=O)[O-])cnc1N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001599462787 998303138 /nfs/dbraw/zinc/30/31/38/998303138.db2.gz KDQLBSPRCBLHTJ-CYBMUJFWSA-N -1 0 329.312 2.187 20 5 EEBDRM COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001599463260 998312911 /nfs/dbraw/zinc/31/29/11/998312911.db2.gz UUJKQLJUIPPWAI-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COCCc1nsc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC001599264625 998446087 /nfs/dbraw/zinc/44/60/87/998446087.db2.gz IBLGAYOVFGBPBW-UHFFFAOYSA-N -1 0 325.302 2.126 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CCC1=O ZINC001594201522 998779785 /nfs/dbraw/zinc/77/97/85/998779785.db2.gz PXZOCLBGXHJVLQ-RLFDGXBXSA-N -1 0 348.355 2.016 20 5 EEBDRM COC(=O)c1ccnc(NCc2ccccc2CC(=O)[O-])c1[N+](=O)[O-] ZINC001599004271 998844744 /nfs/dbraw/zinc/84/47/44/998844744.db2.gz GQOCAQXSMFNGEQ-UHFFFAOYSA-N -1 0 345.311 2.016 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000181166250 234102133 /nfs/dbraw/zinc/10/21/33/234102133.db2.gz VOURCSXTJGKEJD-OAHLLOKOSA-N -1 0 342.351 2.384 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000374176009 304198317 /nfs/dbraw/zinc/19/83/17/304198317.db2.gz PJLLKWOHEWZRFD-HNNXBMFYSA-N -1 0 326.308 2.419 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n(C)n1 ZINC000116602981 220976493 /nfs/dbraw/zinc/97/64/93/220976493.db2.gz VUSJTDBONQOVDB-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000354114904 153116656 /nfs/dbraw/zinc/11/66/56/153116656.db2.gz NUSYYOBOSGBJBL-UHFFFAOYSA-N -1 0 345.764 2.277 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nc3ccccn3n2)c1C ZINC000130705536 159549055 /nfs/dbraw/zinc/54/90/55/159549055.db2.gz VWTTUYSMWLEHAG-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cnc(C)s2)cc1[N+](=O)[O-] ZINC000359846058 164183194 /nfs/dbraw/zinc/18/31/94/164183194.db2.gz GGUGMLFPWOKCOE-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)ccc1[N+](=O)[O-] ZINC000360602865 164349391 /nfs/dbraw/zinc/34/93/91/164349391.db2.gz BJHXWWQXYNSABK-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM CCOC(=O)C[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)C ZINC000274903041 269072262 /nfs/dbraw/zinc/07/22/62/269072262.db2.gz HPZHIGLHQBCNBW-MRXNPFEDSA-N -1 0 338.360 2.398 20 5 EEBDRM CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000275077048 269092044 /nfs/dbraw/zinc/09/20/44/269092044.db2.gz HYVQIMSEQQSSJJ-ZANVPECISA-N -1 0 344.389 2.023 20 5 EEBDRM O=C([O-])CC[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000275360239 269110485 /nfs/dbraw/zinc/11/04/85/269110485.db2.gz UVUKIJTUUFXKTH-LLVKDONJSA-N -1 0 342.373 2.003 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000291646625 275326074 /nfs/dbraw/zinc/32/60/74/275326074.db2.gz WEIMIYZARNQPBV-LLVKDONJSA-N -1 0 336.735 2.238 20 5 EEBDRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000262846595 280104392 /nfs/dbraw/zinc/10/43/92/280104392.db2.gz DIJRXKRVWGPQNL-MRXNPFEDSA-N -1 0 337.376 2.037 20 5 EEBDRM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCCC(=O)[O-])CC1 ZINC000236731790 281839107 /nfs/dbraw/zinc/83/91/07/281839107.db2.gz SAVASQYKMZYVFS-UHFFFAOYSA-N -1 0 349.387 2.426 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)n[nH]c1C ZINC000282092958 292811038 /nfs/dbraw/zinc/81/10/38/292811038.db2.gz VLLYIRNHQTZSPT-UHFFFAOYSA-N -1 0 340.361 2.134 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC)CCC(=O)[O-] ZINC000297183762 294173841 /nfs/dbraw/zinc/17/38/41/294173841.db2.gz LJYPWFMWLLXOEB-NSHDSACASA-N -1 0 344.389 2.079 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000263389623 297215828 /nfs/dbraw/zinc/21/58/28/297215828.db2.gz YKYZVCDHWOCAHH-RKDXNWHRSA-N -1 0 326.736 2.431 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262875499 297742925 /nfs/dbraw/zinc/74/29/25/297742925.db2.gz BIKLZBZXEDCJGZ-DGCLKSJQSA-N -1 0 347.371 2.130 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433624 300785844 /nfs/dbraw/zinc/78/58/44/300785844.db2.gz RRNVTRIPBCEGGJ-NSHDSACASA-N -1 0 330.138 2.053 20 5 EEBDRM Cc1cccc2c1OC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000366279780 302062723 /nfs/dbraw/zinc/06/27/23/302062723.db2.gz ASOHSDKLBSUYQC-CYBMUJFWSA-N -1 0 328.324 2.342 20 5 EEBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000161366633 311365305 /nfs/dbraw/zinc/36/53/05/311365305.db2.gz GBSNTMHAIZTHNX-MGCOHNPYSA-N -1 0 348.808 2.078 20 5 EEBDRM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000332455977 312010159 /nfs/dbraw/zinc/01/01/59/312010159.db2.gz NPTDKNGIXACBDI-RISCZKNCSA-N -1 0 346.380 2.216 20 5 EEBDRM CC(C)c1nnc(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000436771437 314996926 /nfs/dbraw/zinc/99/69/26/314996926.db2.gz VNGFMADVBTVSFG-UHFFFAOYSA-N -1 0 336.373 2.248 20 5 EEBDRM COCCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436776068 314997421 /nfs/dbraw/zinc/99/74/21/314997421.db2.gz ZBKUJWFRXCHIBP-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N(CCCO)Cc1ccccc1 ZINC000436971281 315017845 /nfs/dbraw/zinc/01/78/45/315017845.db2.gz IIJPJNIFKRJCIV-UHFFFAOYSA-N -1 0 330.340 2.325 20 5 EEBDRM COC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436969447 315017880 /nfs/dbraw/zinc/01/78/80/315017880.db2.gz YNIVUPRCPOUFIG-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nn1C ZINC000439046060 315065358 /nfs/dbraw/zinc/06/53/58/315065358.db2.gz VPHFVFLYBUUPJG-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM COc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000537401844 318016929 /nfs/dbraw/zinc/01/69/29/318016929.db2.gz AAPHFCHYEPZRIW-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM Cc1ccc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000540784509 318077951 /nfs/dbraw/zinc/07/79/51/318077951.db2.gz LILLXSCUCCHCSD-UHFFFAOYSA-N -1 0 344.323 2.410 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC000540932908 318084923 /nfs/dbraw/zinc/08/49/23/318084923.db2.gz PEMRJFNZSSQIQV-CQSZACIVSA-N -1 0 336.344 2.152 20 5 EEBDRM CC(=O)Nc1ccccc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000544558337 318190828 /nfs/dbraw/zinc/19/08/28/318190828.db2.gz JKFFRNXQYLEZMR-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-])c1C ZINC000548225612 318366498 /nfs/dbraw/zinc/36/64/98/318366498.db2.gz XDVGDVIDWVHFRJ-NSHDSACASA-N -1 0 344.389 2.084 20 5 EEBDRM CSc1nnc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])s1 ZINC000563204614 318983824 /nfs/dbraw/zinc/98/38/24/318983824.db2.gz FTJSHGDAOVXMBW-UHFFFAOYSA-N -1 0 340.386 2.407 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000564626914 319094958 /nfs/dbraw/zinc/09/49/58/319094958.db2.gz WZTAXZDHLFHTFB-CYBMUJFWSA-N -1 0 331.284 2.248 20 5 EEBDRM CCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CCC1 ZINC000564921523 319128605 /nfs/dbraw/zinc/12/86/05/319128605.db2.gz ZBYQQQBWZUTPQU-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@H](c3ccsc3)C2)n1 ZINC000565035112 319141709 /nfs/dbraw/zinc/14/17/09/319141709.db2.gz GJRYLPYFVXWQJG-LBPRGKRZSA-N -1 0 335.341 2.327 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000566175619 319256394 /nfs/dbraw/zinc/25/63/94/319256394.db2.gz DFOTVLQAMQFYBN-PRHODGIISA-N -1 0 342.373 2.068 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(c3ccncn3)CC2)n1 ZINC000566294297 319271064 /nfs/dbraw/zinc/27/10/64/319271064.db2.gz CWYNPSROEGNVGB-UHFFFAOYSA-N -1 0 343.343 2.170 20 5 EEBDRM CC1(C)CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000566740052 319316991 /nfs/dbraw/zinc/31/69/91/319316991.db2.gz MMXPWYNPAOXKMD-INIZCTEOSA-N -1 0 336.344 2.067 20 5 EEBDRM C[C@H]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567239750 319362334 /nfs/dbraw/zinc/36/23/34/319362334.db2.gz ZYOHBKDTEBBXQT-UWVGGRQHSA-N -1 0 342.373 2.008 20 5 EEBDRM CCC[C@@](C)(NS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000567585055 319393701 /nfs/dbraw/zinc/39/37/01/319393701.db2.gz MBHMJFDIFQZBBD-CQSZACIVSA-N -1 0 344.389 2.079 20 5 EEBDRM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000573377564 319929095 /nfs/dbraw/zinc/92/90/95/319929095.db2.gz QZUFOXPNJMMWNW-ZJUUUORDSA-N -1 0 342.373 2.150 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)n1 ZINC000573850511 319972074 /nfs/dbraw/zinc/97/20/74/319972074.db2.gz QXUXFIWLLWTMPP-HIFRSBDPSA-N -1 0 349.387 2.313 20 5 EEBDRM COc1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC000574015097 319986520 /nfs/dbraw/zinc/98/65/20/319986520.db2.gz BKAURWYNWZPBDJ-NSHDSACASA-N -1 0 336.344 2.239 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000574572996 320037688 /nfs/dbraw/zinc/03/76/88/320037688.db2.gz OYGMQAMRHWFXKE-ONGXEEELSA-N -1 0 337.332 2.178 20 5 EEBDRM CCCC1(CNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC000580711919 324116247 /nfs/dbraw/zinc/11/62/47/324116247.db2.gz QJVBAQMIISQWTC-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000083955315 463568854 /nfs/dbraw/zinc/56/88/54/463568854.db2.gz NIUAGEGQQAAJBQ-UHFFFAOYSA-N -1 0 342.402 2.426 20 5 EEBDRM CCC(CC)(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000327116984 465048707 /nfs/dbraw/zinc/04/87/07/465048707.db2.gz DEYPRMOINHJVQY-UHFFFAOYSA-N -1 0 346.343 2.154 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000153224115 462628350 /nfs/dbraw/zinc/62/83/50/462628350.db2.gz QTAMCHRBHWVGAO-LLVKDONJSA-N -1 0 345.359 2.280 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)c([N+](=O)[O-])c1 ZINC000116710602 462769110 /nfs/dbraw/zinc/76/91/10/462769110.db2.gz SQHLPNBUSNFGMC-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000156568646 463042445 /nfs/dbraw/zinc/04/24/45/463042445.db2.gz YNQTVRAOCBAZLQ-CQSZACIVSA-N -1 0 345.355 2.460 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)ccc1[O-] ZINC000028781231 463233204 /nfs/dbraw/zinc/23/32/04/463233204.db2.gz YUZKIXVVMPXQJH-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000032588570 463381343 /nfs/dbraw/zinc/38/13/43/463381343.db2.gz CKZQQQFOHIYTQN-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000032631906 463384213 /nfs/dbraw/zinc/38/42/13/463384213.db2.gz ATEQPHVSJFBITP-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000269145168 463890235 /nfs/dbraw/zinc/89/02/35/463890235.db2.gz NUDZJYOTXBPNTH-BONVTDFDSA-N -1 0 338.385 2.085 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1nnc(C2CC2)o1 ZINC000194734454 463918230 /nfs/dbraw/zinc/91/82/30/463918230.db2.gz XLESJOQJGPJXEL-UHFFFAOYSA-N -1 0 344.736 2.309 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000263266900 464073714 /nfs/dbraw/zinc/07/37/14/464073714.db2.gz VOKTXJWXEJIOFM-VXGBXAGGSA-N -1 0 335.360 2.109 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263364333 464092870 /nfs/dbraw/zinc/09/28/70/464092870.db2.gz SSMQYCZUJNRBQI-QWRGUYRKSA-N -1 0 336.344 2.176 20 5 EEBDRM CCc1nc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cs1 ZINC000237055931 464257830 /nfs/dbraw/zinc/25/78/30/464257830.db2.gz IYEXCBNXMTYEBP-UHFFFAOYSA-N -1 0 335.341 2.242 20 5 EEBDRM Cc1cccc(C)c1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180773272 464391720 /nfs/dbraw/zinc/39/17/20/464391720.db2.gz QQZVTMDRBYKULN-UHFFFAOYSA-N -1 0 329.312 2.494 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000237967650 464411754 /nfs/dbraw/zinc/41/17/54/464411754.db2.gz NZNXCRUDASNDAH-JTQLQIEISA-N -1 0 346.343 2.188 20 5 EEBDRM Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000181214221 464458685 /nfs/dbraw/zinc/45/86/85/464458685.db2.gz NGWSGPZSCVTYAX-HNNXBMFYSA-N -1 0 328.324 2.329 20 5 EEBDRM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272114307 464482570 /nfs/dbraw/zinc/48/25/70/464482570.db2.gz PDECCYQBMKBMAM-SCZZXKLOSA-N -1 0 344.751 2.476 20 5 EEBDRM O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182070953 464564915 /nfs/dbraw/zinc/56/49/15/464564915.db2.gz DACVGSSFLJOEAB-UONOGXRCSA-N -1 0 330.344 2.411 20 5 EEBDRM O=c1[n-]nc(C2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)o1 ZINC000285586088 464619394 /nfs/dbraw/zinc/61/93/94/464619394.db2.gz KUFFBSMXKQZZCN-UHFFFAOYSA-N -1 0 341.327 2.203 20 5 EEBDRM COCCn1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000190418457 464640793 /nfs/dbraw/zinc/64/07/93/464640793.db2.gz NOBWMRVTRCGXRR-UHFFFAOYSA-N -1 0 340.723 2.049 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]OC[C@H]1CCOC1 ZINC000276215656 464849590 /nfs/dbraw/zinc/84/95/90/464849590.db2.gz BKUCRYWJPWXZKY-QWRGUYRKSA-N -1 0 326.374 2.160 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000184584296 465001157 /nfs/dbraw/zinc/00/11/57/465001157.db2.gz QWAYHBZXTSCSQV-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM O=C(Nc1nnc(-c2ccccn2)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356341849 465324481 /nfs/dbraw/zinc/32/44/81/465324481.db2.gz OLBAZRAIAIEDPM-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cccc([N+](=O)[O-])c1 ZINC000339601626 465378543 /nfs/dbraw/zinc/37/85/43/465378543.db2.gz SUYOPBDQUZBYCT-UHFFFAOYSA-N -1 0 327.325 2.183 20 5 EEBDRM CCOc1cccc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])c1 ZINC000339686451 465442999 /nfs/dbraw/zinc/44/29/99/465442999.db2.gz BBJBBZILWFLPQW-UHFFFAOYSA-N -1 0 340.361 2.011 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000337754444 465558641 /nfs/dbraw/zinc/55/86/41/465558641.db2.gz HFQBRJBSWQIFAA-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000600050505 468443887 /nfs/dbraw/zinc/44/38/87/468443887.db2.gz MBGDCSVNAGYDLI-UHFFFAOYSA-N -1 0 348.315 2.231 20 5 EEBDRM O=C(NCCc1nc2ccccc2s1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000362344996 465666650 /nfs/dbraw/zinc/66/66/50/465666650.db2.gz CGKXJEJZFFTYHO-UHFFFAOYSA-N -1 0 344.352 2.278 20 5 EEBDRM Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C(=O)[O-])cc1 ZINC000362807478 466042491 /nfs/dbraw/zinc/04/24/91/466042491.db2.gz UXQCPHVMQANFRA-CYBMUJFWSA-N -1 0 343.339 2.084 20 5 EEBDRM CCC(C)(C)OCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000308556536 466499000 /nfs/dbraw/zinc/49/90/00/466499000.db2.gz SXRWBZLTQTXDAF-UHFFFAOYSA-N -1 0 334.369 2.217 20 5 EEBDRM CCc1nc(C)c(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])o1 ZINC000323899675 466641565 /nfs/dbraw/zinc/64/15/65/466641565.db2.gz PGKMCLMASADDEO-UHFFFAOYSA-N -1 0 343.336 2.071 20 5 EEBDRM Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC000323863527 466641678 /nfs/dbraw/zinc/64/16/78/466641678.db2.gz GMSHIBGNOUUXLV-AWEZNQCLSA-N -1 0 328.324 2.329 20 5 EEBDRM C[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000424239478 467011168 /nfs/dbraw/zinc/01/11/68/467011168.db2.gz CSODSMLWHNMKHY-BONVTDFDSA-N -1 0 347.371 2.494 20 5 EEBDRM CC(C)C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000424243312 467011412 /nfs/dbraw/zinc/01/14/12/467011412.db2.gz IFUXZXCSAFKXQO-GFCCVEGCSA-N -1 0 338.360 2.227 20 5 EEBDRM CCOC(=O)C[C@](C)(NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)C ZINC000436584723 467546153 /nfs/dbraw/zinc/54/61/53/467546153.db2.gz QBTDLJDTYCBTKE-INIZCTEOSA-N -1 0 338.360 2.398 20 5 EEBDRM CC1(C)CCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000514670043 467946985 /nfs/dbraw/zinc/94/69/85/467946985.db2.gz JZRUJNJXWCPGQH-LBPRGKRZSA-N -1 0 342.373 2.150 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493672220 467961378 /nfs/dbraw/zinc/96/13/78/467961378.db2.gz GCGBYWAKKZETNY-PEWKINPCSA-N -1 0 336.319 2.316 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NCCCC2CC2)cc1[N+](=O)[O-] ZINC000594576171 468624799 /nfs/dbraw/zinc/62/47/99/468624799.db2.gz QOJZPPVHECRXSU-UHFFFAOYSA-N -1 0 342.373 2.070 20 5 EEBDRM COC(=O)[C@@]1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC[C@@H](C)CC1 ZINC000598101678 468765071 /nfs/dbraw/zinc/76/50/71/468765071.db2.gz FULZOXCKGIBNGC-HZRBXJLLSA-N -1 0 336.344 2.152 20 5 EEBDRM COc1ccc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1OC ZINC000583874648 468769263 /nfs/dbraw/zinc/76/92/63/468769263.db2.gz CBTXPWOUYVWDGZ-UHFFFAOYSA-N -1 0 347.327 2.626 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000595252265 468793646 /nfs/dbraw/zinc/79/36/46/468793646.db2.gz WHNYAKJCGBUDOB-CZUORRHYSA-N -1 0 335.360 2.156 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595261288 468796436 /nfs/dbraw/zinc/79/64/36/468796436.db2.gz OQDSYBSCWLOSGM-UHFFFAOYSA-N -1 0 335.360 2.034 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)CC1CC1 ZINC000584634889 468908978 /nfs/dbraw/zinc/90/89/78/468908978.db2.gz PJVPHODBBIKQKH-LBPRGKRZSA-N -1 0 345.355 2.236 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000610845399 469086914 /nfs/dbraw/zinc/08/69/14/469086914.db2.gz FHOZXWNAZOGWPB-ZDUSSCGKSA-N -1 0 346.343 2.010 20 5 EEBDRM Cc1cc(N2CCn3c(nnc3C(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573493388 469145853 /nfs/dbraw/zinc/14/58/53/469145853.db2.gz IVYDJCDTIVRKOH-UHFFFAOYSA-N -1 0 345.359 2.337 20 5 EEBDRM Cc1[nH]nc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000611223591 469198046 /nfs/dbraw/zinc/19/80/46/469198046.db2.gz PYDOMUMHXXVJFF-AWEZNQCLSA-N -1 0 334.357 2.220 20 5 EEBDRM CCC(CC)N(CC)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563231306 469207240 /nfs/dbraw/zinc/20/72/40/469207240.db2.gz AFIBYDHLJGPTIH-UHFFFAOYSA-N -1 0 344.389 2.492 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC000611289833 469220853 /nfs/dbraw/zinc/22/08/53/469220853.db2.gz ZPVXUANQZJNLKK-AWEZNQCLSA-N -1 0 348.286 2.084 20 5 EEBDRM CCC(CC)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000613883852 469810718 /nfs/dbraw/zinc/81/07/18/469810718.db2.gz WGULTZXHRDPBFS-UHFFFAOYSA-N -1 0 349.387 2.021 20 5 EEBDRM C[C@H](c1ccccc1)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000614270304 469896862 /nfs/dbraw/zinc/89/68/62/469896862.db2.gz IKFDZEJNWXCXGD-ABAIWWIYSA-N -1 0 330.340 2.195 20 5 EEBDRM Cc1cc(C)nc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000191795660 534141326 /nfs/dbraw/zinc/14/13/26/534141326.db2.gz ITAFMXMFFZMRSD-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccccc2[C@@H]1CO ZINC000170084051 534715492 /nfs/dbraw/zinc/71/54/92/534715492.db2.gz VPTJJVMCAZHBKE-HNNXBMFYSA-N -1 0 328.324 2.032 20 5 EEBDRM C[S@@](=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000738180089 578002741 /nfs/dbraw/zinc/00/27/41/578002741.db2.gz QUYAVFVRVSOBOP-XMMPIXPASA-N -1 0 348.336 2.283 20 5 EEBDRM Cc1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)sc1C(=O)[O-] ZINC000738235033 578005273 /nfs/dbraw/zinc/00/52/73/578005273.db2.gz NMQNSOWNVNGMRP-UHFFFAOYSA-N -1 0 338.345 2.233 20 5 EEBDRM Cc1cc(C)n([C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000738372494 578011515 /nfs/dbraw/zinc/01/15/15/578011515.db2.gz SUQGIGUTZZPFAR-JTQLQIEISA-N -1 0 332.316 2.306 20 5 EEBDRM Cn1cc([C@@H]2CCCN2C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC000738405610 578013173 /nfs/dbraw/zinc/01/31/73/578013173.db2.gz MZXSUGMIZXCGKG-AWEZNQCLSA-N -1 0 344.327 2.004 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000763079650 577714486 /nfs/dbraw/zinc/71/44/86/577714486.db2.gz PMMIHHRAAYEYRC-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000750677402 577741044 /nfs/dbraw/zinc/74/10/44/577741044.db2.gz FZVJNMUVSKCZRV-LLVKDONJSA-N -1 0 340.401 2.367 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000738689297 578023862 /nfs/dbraw/zinc/02/38/62/578023862.db2.gz JSDCEUBTPPSDIX-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM Cc1nc2n(n1)C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000738882577 578029855 /nfs/dbraw/zinc/02/98/55/578029855.db2.gz ZXNKBZGXGWMBEP-QDBLGGKGSA-N -1 0 343.343 2.019 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCc2nncn2C2CC2)c([N+](=O)[O-])c1 ZINC000739622304 578061340 /nfs/dbraw/zinc/06/13/40/578061340.db2.gz AINPURHIWMUEAK-QHHAFSJGSA-N -1 0 329.316 2.231 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H]1CCCC[C@H]1O ZINC000740096635 578080682 /nfs/dbraw/zinc/08/06/82/578080682.db2.gz NYAUUWLEAHKUOB-QPUJVOFHSA-N -1 0 339.304 2.164 20 5 EEBDRM C[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])CN1CCOCC1 ZINC000736606721 578214572 /nfs/dbraw/zinc/21/45/72/578214572.db2.gz JKNWINGIYUSDRT-LQPUYASZSA-N -1 0 349.387 2.073 20 5 EEBDRM C[C@H](NC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000736644514 578216150 /nfs/dbraw/zinc/21/61/50/578216150.db2.gz APQIBFBDJBHRBS-JQWIXIFHSA-N -1 0 336.348 2.097 20 5 EEBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000736652229 578216588 /nfs/dbraw/zinc/21/65/88/578216588.db2.gz BMGMNBPVUVRSHK-SECBINFHSA-N -1 0 330.296 2.490 20 5 EEBDRM CCC1=C(C(=O)[O-])[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=S)N1 ZINC000736932218 578229801 /nfs/dbraw/zinc/22/98/01/578229801.db2.gz NLLCSEAWGIFBBQ-LLVKDONJSA-N -1 0 343.311 2.141 20 5 EEBDRM Cc1c(CC(=O)NCc2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000820944577 597354275 /nfs/dbraw/zinc/35/42/75/597354275.db2.gz FODOHGFUMZDXTM-UHFFFAOYSA-N -1 0 328.324 2.460 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000821509038 597717144 /nfs/dbraw/zinc/71/71/44/597717144.db2.gz MASVGLXCVUHXAL-SECBINFHSA-N -1 0 344.270 2.276 20 5 EEBDRM CN(CCCC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000830763274 601505320 /nfs/dbraw/zinc/50/53/20/601505320.db2.gz MLXGNUMFGCVGAD-UHFFFAOYSA-N -1 0 332.316 2.472 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000832921325 601667383 /nfs/dbraw/zinc/66/73/83/601667383.db2.gz PBYVPSHGQCWEGA-GMXVVIOVSA-N -1 0 335.360 2.326 20 5 EEBDRM CSC[C@@](C)(O)CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832753703 604267531 /nfs/dbraw/zinc/26/75/31/604267531.db2.gz PRDGHWBHMGCTHH-LBPRGKRZSA-N -1 0 334.781 2.472 20 5 EEBDRM CC(C)[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000833474462 605037059 /nfs/dbraw/zinc/03/70/59/605037059.db2.gz YUQUBMRRHXEPEI-ZDUSSCGKSA-N -1 0 333.300 2.047 20 5 EEBDRM CC(C)(C)CC(=O)N1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833423667 605172618 /nfs/dbraw/zinc/17/26/18/605172618.db2.gz WBAQRYHNQOUOCA-UHFFFAOYSA-N -1 0 349.387 2.378 20 5 EEBDRM CC(C)(C)OC(=O)[C@@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833432152 605189258 /nfs/dbraw/zinc/18/92/58/605189258.db2.gz IYSKSHCYAPVKTQ-LLVKDONJSA-N -1 0 336.344 2.461 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826272499 607997958 /nfs/dbraw/zinc/99/79/58/607997958.db2.gz MRDZWFIONRKUCD-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM CC[C@H](C)n1nc([N-]c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1C ZINC000825082771 608586903 /nfs/dbraw/zinc/58/69/03/608586903.db2.gz VQIFBMQFCLWCKU-QMMMGPOBSA-N -1 0 343.351 2.389 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000134061981 676009904 /nfs/dbraw/zinc/00/99/04/676009904.db2.gz BURRVWCLZVOFCG-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM CCC1(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000176761921 678802111 /nfs/dbraw/zinc/80/21/11/678802111.db2.gz KCSBTJXZRITQMP-UHFFFAOYSA-N -1 0 326.374 2.370 20 5 EEBDRM CCC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000813063725 1201077021 /nfs/dbraw/zinc/07/70/21/1201077021.db2.gz BQTYWNGTUUNYIX-RKDXNWHRSA-N -1 0 346.792 2.489 20 5 EEBDRM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000779656636 1210723210 /nfs/dbraw/zinc/72/32/10/1210723210.db2.gz VJBMWUPUXMLNMK-UHFFFAOYSA-N -1 0 347.283 2.147 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000195071864 1211309397 /nfs/dbraw/zinc/30/93/97/1211309397.db2.gz ALVGHRKNMMRZJV-UHFFFAOYSA-N -1 0 348.380 2.206 20 5 EEBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2cccc(-c3ccccn3)n2)no1 ZINC001212893884 1214389797 /nfs/dbraw/zinc/38/97/97/1214389797.db2.gz DBOFUFDNMHSHMT-UHFFFAOYSA-N -1 0 335.283 2.492 20 5 EEBDRM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000800398535 1234104080 /nfs/dbraw/zinc/10/40/80/1234104080.db2.gz NOPIUHAWOVUSBU-SNVBAGLBSA-N -1 0 344.389 2.235 20 5 EEBDRM Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc1C(=O)[O-] ZINC000900934834 1235017020 /nfs/dbraw/zinc/01/70/20/1235017020.db2.gz SCGZZCNXPNGVPM-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM Cc1ccoc1C(=O)N[C@H]1C[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001068453464 1251086930 /nfs/dbraw/zinc/08/69/30/1251086930.db2.gz KCELDSZSKZQFMR-XYPYZODXSA-N -1 0 346.343 2.217 20 5 EEBDRM CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885264 1277380140 /nfs/dbraw/zinc/38/01/40/1277380140.db2.gz BTGUHYRXDWXHMB-JTQLQIEISA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850889736 1277382550 /nfs/dbraw/zinc/38/25/50/1277382550.db2.gz YFCAFPKEPKUWRT-ZJUUUORDSA-N -1 0 344.364 2.365 20 5 EEBDRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000851617647 1277686780 /nfs/dbraw/zinc/68/67/80/1277686780.db2.gz CHTHTIMFOXKLDP-NSHDSACASA-N -1 0 347.331 2.052 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1[nH]c(=O)ncc1C(F)(F)F ZINC001225577992 1301070266 /nfs/dbraw/zinc/07/02/66/1301070266.db2.gz AJULPDQAGDPAKA-LURJTMIESA-N -1 0 347.253 2.082 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H]2CC[C@@H](C)CC2)c1[N+](=O)[O-] ZINC001226020912 1301235471 /nfs/dbraw/zinc/23/54/71/1301235471.db2.gz MVJJOXXGKASWLA-DTORHVGOSA-N -1 0 325.321 2.225 20 5 EEBDRM O=c1nc(OC[C@H]2CC[C@]3(CCCCO3)O2)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231072136 1303611114 /nfs/dbraw/zinc/61/11/14/1303611114.db2.gz TZHQSNFLZMDXGN-OQPBUACISA-N -1 0 345.739 2.198 20 5 EEBDRM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccc([O-])c1[N+](=O)[O-] ZINC000798153466 1304931681 /nfs/dbraw/zinc/93/16/81/1304931681.db2.gz XAGUCDNXJFRKHW-UHFFFAOYSA-N -1 0 346.299 2.051 20 5 EEBDRM Cc1cncc([N+](=O)[O-])c1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001118603284 1308899079 /nfs/dbraw/zinc/89/90/79/1308899079.db2.gz XQHHODIRXXJEFO-SCZZXKLOSA-N -1 0 346.309 2.192 20 5 EEBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CC2(CC2)C1 ZINC000833316901 1314751360 /nfs/dbraw/zinc/75/13/60/1314751360.db2.gz MXBBZCYXJUPYNG-UHFFFAOYSA-N -1 0 348.746 2.376 20 5 EEBDRM CC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000835027896 1314894127 /nfs/dbraw/zinc/89/41/27/1314894127.db2.gz HBMRUBAFNUSFGW-MNOVXSKESA-N -1 0 326.374 2.226 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C(=O)[O-])CC1 ZINC000841484449 1315562899 /nfs/dbraw/zinc/56/28/99/1315562899.db2.gz HYASAPLSEAKOQU-UHFFFAOYSA-N -1 0 342.735 2.336 20 5 EEBDRM O=S(=O)([N-]c1cccc2nc3ccccc3nc12)c1cn[nH]c1 ZINC001260961444 1321988526 /nfs/dbraw/zinc/98/85/26/1321988526.db2.gz ZKVCUPIEPBZQFY-UHFFFAOYSA-N -1 0 325.353 2.307 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001601227267 1350236643 /nfs/dbraw/zinc/23/66/43/1350236643.db2.gz NZTHDQDZGDUYLM-CVGURMSBSA-N -1 0 330.340 2.164 20 5 EEBDRM O=C([O-])c1cnc(NCCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001602532953 1350540297 /nfs/dbraw/zinc/54/02/97/1350540297.db2.gz LYZAQCMOHYPMEP-UHFFFAOYSA-N -1 0 332.272 2.251 20 5 EEBDRM O=C([O-])c1occc1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001602590794 1350552540 /nfs/dbraw/zinc/55/25/40/1350552540.db2.gz HPDMXRXZMIQFAU-QWHCGFSZSA-N -1 0 330.296 2.306 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)o1 ZINC001607708434 1351543742 /nfs/dbraw/zinc/54/37/42/1351543742.db2.gz BHVBJQZOZYPGKS-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM O=C([O-])CCSc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC001608734448 1351751611 /nfs/dbraw/zinc/75/16/11/1351751611.db2.gz CAEJTOUMFYQYPX-UHFFFAOYSA-N -1 0 336.329 2.137 20 5 EEBDRM O=C([O-])Cc1csc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001608791920 1351764864 /nfs/dbraw/zinc/76/48/64/1351764864.db2.gz GLRCRKAMPHTLIA-VXGBXAGGSA-N -1 0 347.352 2.421 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)cc([N+](=O)[O-])c1 ZINC001608835679 1351774964 /nfs/dbraw/zinc/77/49/64/1351774964.db2.gz ROFVCZZOMNACKC-UONOGXRCSA-N -1 0 346.339 2.267 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cn1 ZINC001608902232 1351790274 /nfs/dbraw/zinc/79/02/74/1351790274.db2.gz VWUQDBLRMXUENR-QWHCGFSZSA-N -1 0 327.296 2.430 20 5 EEBDRM O=C(Nc1nnc(-c2ccncc2)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001319328009 1332684801 /nfs/dbraw/zinc/68/48/01/1332684801.db2.gz FNUMKUWEISPNHU-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(C3CCOCC3)CC2)n1 ZINC001608914790 1351793311 /nfs/dbraw/zinc/79/33/11/1351793311.db2.gz KPTPXTBBMJWGTF-UHFFFAOYSA-N -1 0 335.360 2.331 20 5 EEBDRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC001324477289 1333691582 /nfs/dbraw/zinc/69/15/82/1333691582.db2.gz GFOMXMIUBBIBHC-UHFFFAOYSA-N -1 0 336.373 2.483 20 5 EEBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC001609649944 1352050034 /nfs/dbraw/zinc/05/00/34/1352050034.db2.gz KOCQIZZUVHVJEF-SNVBAGLBSA-N -1 0 335.360 2.140 20 5 EEBDRM C[C@@](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)(C(=O)[O-])C1CC1 ZINC001609773879 1352082324 /nfs/dbraw/zinc/08/23/24/1352082324.db2.gz XTXAKRULVLVXFT-AWEZNQCLSA-N -1 0 344.270 2.179 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001609925209 1352121371 /nfs/dbraw/zinc/12/13/71/1352121371.db2.gz PETXEWBVHIMZMR-LNSITVRQSA-N -1 0 334.372 2.485 20 5 EEBDRM CCC[C@@](C)(CO)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001609951461 1352127652 /nfs/dbraw/zinc/12/76/52/1352127652.db2.gz SVPZYVGYAHTJSX-HNNXBMFYSA-N -1 0 339.348 2.274 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001610057645 1352151543 /nfs/dbraw/zinc/15/15/43/1352151543.db2.gz ZGYZHLCAPMVZOS-QMMMGPOBSA-N -1 0 332.316 2.321 20 5 EEBDRM CCc1cccc(C(=O)[O-])c1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC001610066638 1352154278 /nfs/dbraw/zinc/15/42/78/1352154278.db2.gz CSEWEQAQXHKJRU-UHFFFAOYSA-N -1 0 346.343 2.389 20 5 EEBDRM CNC(=O)[C@H]1CCC[C@@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001610142968 1352172261 /nfs/dbraw/zinc/17/22/61/1352172261.db2.gz QGVPMCXLJVEUAS-KWQFWETISA-N -1 0 341.751 2.273 20 5 EEBDRM COC(=O)C1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001610180224 1352179875 /nfs/dbraw/zinc/17/98/75/1352179875.db2.gz UTRVHSCVIYTPKM-UHFFFAOYSA-N -1 0 342.735 2.336 20 5 EEBDRM CCC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847893429 1338366354 /nfs/dbraw/zinc/36/63/54/1338366354.db2.gz AMKRAKIEZVCGGL-PWSUYJOCSA-N -1 0 341.389 2.011 20 5 EEBDRM Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCCC(F)(F)C1 ZINC001355661568 1338740688 /nfs/dbraw/zinc/74/06/88/1338740688.db2.gz JIEAGMHEAVBVKT-UHFFFAOYSA-N -1 0 339.302 2.331 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C(=O)OC(C)C)C(C)C)n1 ZINC001610440487 1352222551 /nfs/dbraw/zinc/22/25/51/1352222551.db2.gz PTBRTBJEGWCHBI-NSHDSACASA-N -1 0 339.348 2.385 20 5 EEBDRM O=C(COc1ccccc1)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610671126 1352259261 /nfs/dbraw/zinc/25/92/61/1352259261.db2.gz RQZVQUNRKXQOSO-UHFFFAOYSA-N -1 0 331.280 2.320 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC001610836186 1352282966 /nfs/dbraw/zinc/28/29/66/1352282966.db2.gz DHXPTECBYPKLAZ-SNVBAGLBSA-N -1 0 329.355 2.047 20 5 EEBDRM CC(=Cc1cccc([N+](=O)[O-])c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[nH]1 ZINC001588770467 1348932912 /nfs/dbraw/zinc/93/29/12/1348932912.db2.gz MQDCOLJPPGEPHQ-VURMDHGXSA-N -1 0 339.315 2.139 20 5 EEBDRM O=[N+]([O-])c1cn(CC[C@@H]2CCc3ccccc32)nc1-c1nnn[n-]1 ZINC001593487105 1349815820 /nfs/dbraw/zinc/81/58/20/1349815820.db2.gz UBCQOQHMQPAVGV-NSHDSACASA-N -1 0 325.332 2.092 20 5 EEBDRM Cc1c(NC(=O)N(C)[C@@H](C)C(C)(C)O)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600035689 1349959330 /nfs/dbraw/zinc/95/93/30/1349959330.db2.gz UQMNAYTWAWVHBI-VIFPVBQESA-N -1 0 339.348 2.225 20 5 EEBDRM Cc1cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)ncc1C(=O)[O-] ZINC001600269061 1350007242 /nfs/dbraw/zinc/00/72/42/1350007242.db2.gz DOAGDDZGLWUWBE-UHFFFAOYSA-N -1 0 344.327 2.361 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001600487881 1350063182 /nfs/dbraw/zinc/06/31/82/1350063182.db2.gz CSHJYBSMZBLEJI-UHFFFAOYSA-N -1 0 336.329 2.380 20 5 EEBDRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001600583855 1350089733 /nfs/dbraw/zinc/08/97/33/1350089733.db2.gz KHFJSZUFOVNIDD-UHFFFAOYSA-N -1 0 329.312 2.420 20 5 EEBDRM Nc1ncc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001601221339 1350235731 /nfs/dbraw/zinc/23/57/31/1350235731.db2.gz VZCXJAKVDPIZBX-UHFFFAOYSA-N -1 0 336.691 2.176 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001601335469 1350260283 /nfs/dbraw/zinc/26/02/83/1350260283.db2.gz PBYOVOPXKLMGFL-UHFFFAOYSA-N -1 0 344.279 2.089 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC001601360723 1350266474 /nfs/dbraw/zinc/26/64/74/1350266474.db2.gz DLQYMEIASCUJHK-CJNGLKHVSA-N -1 0 336.319 2.132 20 5 EEBDRM O=C([O-])c1cnc(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC001601515671 1350298840 /nfs/dbraw/zinc/29/88/40/1350298840.db2.gz AVULPDXBSJNVPD-UHFFFAOYSA-N -1 0 336.329 2.114 20 5 EEBDRM O=C([O-])C1=CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001601736363 1350351651 /nfs/dbraw/zinc/35/16/51/1350351651.db2.gz XVPVXKJUZWZQKQ-SNVBAGLBSA-N -1 0 327.296 2.046 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC001601929722 1350399498 /nfs/dbraw/zinc/39/94/98/1350399498.db2.gz KSCCVSSACBNZFA-UHFFFAOYSA-N -1 0 332.234 2.351 20 5 EEBDRM O=C([O-])CC1CC(OC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001601946339 1350403590 /nfs/dbraw/zinc/40/35/90/1350403590.db2.gz DSTFUFXDGBVIGO-UHFFFAOYSA-N -1 0 332.312 2.415 20 5 EEBDRM O=C([O-])CCCc1nc(COc2c(F)cccc2[N+](=O)[O-])no1 ZINC001602000780 1350414769 /nfs/dbraw/zinc/41/47/69/1350414769.db2.gz QRGKFAMNBVVXKL-UHFFFAOYSA-N -1 0 325.252 2.103 20 5 EEBDRM O=C([O-])CSCCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001602097333 1350437358 /nfs/dbraw/zinc/43/73/58/1350437358.db2.gz MWWNWTPGYINECF-UHFFFAOYSA-N -1 0 338.385 2.294 20 5 EEBDRM O=C([O-])Cc1sccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001602158980 1350454481 /nfs/dbraw/zinc/45/44/81/1350454481.db2.gz YQVHTPWMNFYTMF-UHFFFAOYSA-N -1 0 346.364 2.482 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001602175145 1350457897 /nfs/dbraw/zinc/45/78/97/1350457897.db2.gz QCBHXTNOJAWWJG-VHDGCEQUSA-N -1 0 332.356 2.412 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2cc(C3CC3)no2)cc([N+](=O)[O-])c1 ZINC001602247373 1350476079 /nfs/dbraw/zinc/47/60/79/1350476079.db2.gz KIXUIGKXKOPBNL-UHFFFAOYSA-N -1 0 331.284 2.088 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CCOc2ccc(Cl)cc2)c1 ZINC001602298742 1350487568 /nfs/dbraw/zinc/48/75/68/1350487568.db2.gz BQJZXWMQFNQZJJ-UHFFFAOYSA-N -1 0 338.703 2.187 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(C[C@@H]2CC[C@H](c3ccccc3)O2)c1 ZINC001602298816 1350488372 /nfs/dbraw/zinc/48/83/72/1350488372.db2.gz GWWNPMCKZNFOMQ-DZGCQCFKSA-N -1 0 344.323 2.375 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc(OC(F)F)cn2)n1 ZINC001602405791 1350511795 /nfs/dbraw/zinc/51/17/95/1350511795.db2.gz MOKAWKHGPRGPBE-UHFFFAOYSA-N -1 0 340.242 2.297 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCCOc2ccc3c(c2)OCO3)c1 ZINC001602408656 1350513040 /nfs/dbraw/zinc/51/30/40/1350513040.db2.gz RTMKLNCSZIXJDK-UHFFFAOYSA-N -1 0 347.279 2.480 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC[C@H]2CCC3(CCOCC3)O2)c1 ZINC001602407952 1350513053 /nfs/dbraw/zinc/51/30/53/1350513053.db2.gz KIBCAMJHEBXCCB-GFCCVEGCSA-N -1 0 337.328 2.400 20 5 EEBDRM O=C([O-])c1cccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001602431456 1350518194 /nfs/dbraw/zinc/51/81/94/1350518194.db2.gz HDMFCLUNWVWOJW-UHFFFAOYSA-N -1 0 329.264 2.333 20 5 EEBDRM O=C([O-])c1ccccc1CCn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC001602468222 1350526380 /nfs/dbraw/zinc/52/63/80/1350526380.db2.gz ROKACHUVEKSLCP-UHFFFAOYSA-N -1 0 345.336 2.307 20 5 EEBDRM C[C@@H](C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001603180592 1350657382 /nfs/dbraw/zinc/65/73/82/1350657382.db2.gz GYRBFHOFZUXINE-SNVBAGLBSA-N -1 0 346.343 2.353 20 5 EEBDRM C[C@@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)C(C)(C)C(=O)[O-] ZINC001604409534 1350931791 /nfs/dbraw/zinc/93/17/91/1350931791.db2.gz RIWJWEOZYCLOGY-MRVPVSSYSA-N -1 0 348.311 2.301 20 5 EEBDRM CCC[C@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCO1 ZINC001605229737 1351110188 /nfs/dbraw/zinc/11/01/88/1351110188.db2.gz MBRSWUXGSDJOAO-ZDUSSCGKSA-N -1 0 338.360 2.059 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001605776233 1351222917 /nfs/dbraw/zinc/22/29/17/1351222917.db2.gz URJYCIORRQVROX-SKDRFNHKSA-N -1 0 346.343 2.072 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc(C(=O)[O-])co1 ZINC001605823683 1351229152 /nfs/dbraw/zinc/22/91/52/1351229152.db2.gz MYORCTBGHXOKOI-UHFFFAOYSA-N -1 0 334.288 2.165 20 5 EEBDRM CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001605898502 1351250267 /nfs/dbraw/zinc/25/02/67/1351250267.db2.gz GKVSYAXNEWCWSH-INIZCTEOSA-N -1 0 345.359 2.174 20 5 EEBDRM COC(=O)[C@@H]1C[C@@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001606511240 1351313904 /nfs/dbraw/zinc/31/39/04/1351313904.db2.gz DGUXRWZNOBPWJL-HTRCEHHLSA-N -1 0 328.708 2.167 20 5 EEBDRM CO[C@@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001606681874 1351341497 /nfs/dbraw/zinc/34/14/97/1351341497.db2.gz WDWSMARXTLCYLV-NSHDSACASA-N -1 0 325.277 2.038 20 5 EEBDRM CO[C@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001606681873 1351341511 /nfs/dbraw/zinc/34/15/11/1351341511.db2.gz WDWSMARXTLCYLV-LLVKDONJSA-N -1 0 325.277 2.038 20 5 EEBDRM C[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001607422034 1351492257 /nfs/dbraw/zinc/49/22/57/1351492257.db2.gz HHRLOYPBKYIODN-XMKDAVRRSA-N -1 0 347.371 2.454 20 5 EEBDRM Cc1c(CC(=O)NCc2ccc(CC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC001607526003 1351511012 /nfs/dbraw/zinc/51/10/12/1351511012.db2.gz FRZIXTWWHULWPM-UHFFFAOYSA-N -1 0 342.351 2.389 20 5 EEBDRM Cc1c(NC(=O)NCCOC2CCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607545249 1351513519 /nfs/dbraw/zinc/51/35/19/1351513519.db2.gz RSGJOHHMAWGCLA-UHFFFAOYSA-N -1 0 337.332 2.292 20 5 EEBDRM Cc1ccc(CNC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001607782057 1351557584 /nfs/dbraw/zinc/55/75/84/1351557584.db2.gz BKEPSUXCPKSUGO-ZBEGNZNMSA-N -1 0 335.360 2.155 20 5 EEBDRM Cc1cnc(NCc2nc3cc(C(=O)[O-])ccc3[nH]2)c([N+](=O)[O-])c1 ZINC001607910303 1351584330 /nfs/dbraw/zinc/58/43/30/1351584330.db2.gz QQFBWTUYRGLLEK-UHFFFAOYSA-N -1 0 327.300 2.485 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001607984877 1351598059 /nfs/dbraw/zinc/59/80/59/1351598059.db2.gz NQKWCXKSYVWESZ-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001608426918 1351692686 /nfs/dbraw/zinc/69/26/86/1351692686.db2.gz WUFFMBQZWUOULU-UHFFFAOYSA-N -1 0 332.234 2.208 20 5 EEBDRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000850838606 1367161657 /nfs/dbraw/zinc/16/16/57/1367161657.db2.gz ULFCVZSOYQTWDB-NSHDSACASA-N -1 0 338.382 2.380 20 5 EEBDRM CO[C@@H](C)[C@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036120 1367798971 /nfs/dbraw/zinc/79/89/71/1367798971.db2.gz OOLYENOOSGKKGA-BQBZGAKWSA-N -1 0 340.760 2.089 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1O ZINC001116775645 1371735577 /nfs/dbraw/zinc/73/55/77/1371735577.db2.gz PKSNNKGEFADKMZ-UHFFFAOYSA-N -1 0 332.268 2.045 20 5 EEBDRM CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCSCC1 ZINC001342727475 1372951693 /nfs/dbraw/zinc/95/16/93/1372951693.db2.gz ATGJEBXMMCUODB-UHFFFAOYSA-N -1 0 335.389 2.132 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](CC)C(=O)[O-] ZINC001605701366 1404750639 /nfs/dbraw/zinc/75/06/39/1404750639.db2.gz SNVMVCUAJDDOHK-SECBINFHSA-N -1 0 325.321 2.226 20 5 EEBDRM COC(=O)[C@]1(C)CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001606347618 1404800054 /nfs/dbraw/zinc/80/00/54/1404800054.db2.gz IWJQFJIRPXBNPN-MRXNPFEDSA-N -1 0 336.344 2.381 20 5 EEBDRM Cc1ccccc1CCC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000171479489 1405728691 /nfs/dbraw/zinc/72/86/91/1405728691.db2.gz VYCHWBIKNVVUOE-UHFFFAOYSA-N -1 0 348.380 2.341 20 5 EEBDRM C/C=C(/CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000588569542 760920650 /nfs/dbraw/zinc/92/06/50/760920650.db2.gz UJEKKGNCBYZTPN-WZUFQYTHSA-N -1 0 326.374 2.373 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)nn1C ZINC000817352076 784690102 /nfs/dbraw/zinc/69/01/02/784690102.db2.gz BWQAZZDXWZEWEM-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM CN(C[C@]1(O)CCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000843954326 788753160 /nfs/dbraw/zinc/75/31/60/788753160.db2.gz GNNDREXYYFQCEG-GOSISDBHSA-N -1 0 342.351 2.206 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](C)CC2(C)OCCO2)n1 ZINC000844210138 788927509 /nfs/dbraw/zinc/92/75/09/788927509.db2.gz PJPWUUIZRFGHHU-VIFPVBQESA-N -1 0 339.348 2.198 20 5 EEBDRM Cn1c(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])nnc1C1CC1 ZINC000844212822 788931426 /nfs/dbraw/zinc/93/14/26/788931426.db2.gz CBHFLVXZQHWUQJ-CLTKARDFSA-N -1 0 343.343 2.311 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)N2CCCCCCC2)ccc1[N+](=O)[O-] ZINC000844884636 789430591 /nfs/dbraw/zinc/43/05/91/789430591.db2.gz IUCFTDLOIGFTOG-UHFFFAOYSA-N -1 0 342.373 2.248 20 5 EEBDRM C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000151761456 794144036 /nfs/dbraw/zinc/14/40/36/794144036.db2.gz NNXJUPBMSLIZEO-NXEZZACHSA-N -1 0 344.364 2.365 20 5 EEBDRM COC(=O)c1c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cncc1OC ZINC001174503460 797784217 /nfs/dbraw/zinc/78/42/17/797784217.db2.gz AVQDHCIYYRTVOB-UHFFFAOYSA-N -1 0 347.283 2.227 20 5 EEBDRM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000804475983 810876427 /nfs/dbraw/zinc/87/64/27/810876427.db2.gz JPXHKCFOQPLBEL-BDJLRTHQSA-N -1 0 330.340 2.461 20 5 EEBDRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc1[N+](=O)[O-] ZINC000797755753 939209921 /nfs/dbraw/zinc/20/99/21/939209921.db2.gz OFTNBJZFFVNZHB-CYBMUJFWSA-N -1 0 330.300 2.246 20 5 EEBDRM CC[C@H](OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC001589578185 948982988 /nfs/dbraw/zinc/98/29/88/948982988.db2.gz KSURQAZXIGIIOV-JTQLQIEISA-N -1 0 326.261 2.140 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001593609350 953451158 /nfs/dbraw/zinc/45/11/58/953451158.db2.gz HUDRCLRPMQTKSM-XPTSAGLGSA-N -1 0 326.324 2.282 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001589298387 953666535 /nfs/dbraw/zinc/66/65/35/953666535.db2.gz LNKFOGPZLQQIPJ-ZYHUDNBSSA-N -1 0 338.335 2.378 20 5 EEBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@H]1C(=O)[O-] ZINC001589359360 954147405 /nfs/dbraw/zinc/14/74/05/954147405.db2.gz GLGFLBRFKLSWFA-IINYFYTJSA-N -1 0 347.371 2.034 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001589430150 954645256 /nfs/dbraw/zinc/64/52/56/954645256.db2.gz LFPSMBAGYZZRID-GFCCVEGCSA-N -1 0 326.324 2.333 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001594381309 958624102 /nfs/dbraw/zinc/62/41/02/958624102.db2.gz PSJUDQFTDAWQAG-BXUZGUMPSA-N -1 0 335.360 2.169 20 5 EEBDRM C[C@@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001594200664 959248130 /nfs/dbraw/zinc/24/81/30/959248130.db2.gz GZPYCCCMHPFPJB-UTUOFQBUSA-N -1 0 336.344 2.042 20 5 EEBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)[O-] ZINC001594251989 959617020 /nfs/dbraw/zinc/61/70/20/959617020.db2.gz CYJAAIOBVQVUQF-LURJTMIESA-N -1 0 332.106 2.296 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001574020236 961959845 /nfs/dbraw/zinc/95/98/45/961959845.db2.gz WGKBEPLCCJSNQZ-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC001600108345 970760671 /nfs/dbraw/zinc/76/06/71/970760671.db2.gz SRYWHNIFRZYOSQ-UHFFFAOYSA-N -1 0 341.323 2.195 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001603292469 972554163 /nfs/dbraw/zinc/55/41/63/972554163.db2.gz CPGGJVOAKFPMBQ-QGZVFWFLSA-N -1 0 343.339 2.410 20 5 EEBDRM Cc1ccc(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001605274016 973064214 /nfs/dbraw/zinc/06/42/14/973064214.db2.gz XBOSMACNDKXDNQ-ZWNOBZJWSA-N -1 0 335.360 2.155 20 5 EEBDRM O=C([O-])/C=C/c1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)co1 ZINC001606063033 973186888 /nfs/dbraw/zinc/18/68/88/973186888.db2.gz LQHUBFRXEVOORT-AATRIKPKSA-N -1 0 330.296 2.258 20 5 EEBDRM O=C([O-])CN1CCCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC001606259624 973621875 /nfs/dbraw/zinc/62/18/75/973621875.db2.gz VXTPNDRPEKUIEN-NSHDSACASA-N -1 0 341.751 2.126 20 5 EEBDRM C[C@H](/C=C\C(=O)[O-])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001592193875 977156288 /nfs/dbraw/zinc/15/62/88/977156288.db2.gz RQWIUVRSNIAWIO-JHYPKJRRSA-N -1 0 342.735 2.163 20 5 EEBDRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001592203492 977228864 /nfs/dbraw/zinc/22/88/64/977228864.db2.gz HRNDLSBNCDQPFT-AJCRVFRXSA-N -1 0 343.133 2.116 20 5 EEBDRM O=C([O-])CCCc1csc(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000833230090 979122711 /nfs/dbraw/zinc/12/27/11/979122711.db2.gz XAIWHVDSSKHNMH-UHFFFAOYSA-N -1 0 336.329 2.106 20 5 EEBDRM CC[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@H]1C ZINC001595464683 981151997 /nfs/dbraw/zinc/15/19/97/981151997.db2.gz SYWMBOIJVGAMBJ-VHSXEESVSA-N -1 0 342.373 2.102 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@](C)(C(=O)[O-])C2)cc1C ZINC001596713888 984938167 /nfs/dbraw/zinc/93/81/67/984938167.db2.gz LJGHLXYOXLLYMN-INIZCTEOSA-N -1 0 336.344 2.381 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001589002329 984947303 /nfs/dbraw/zinc/94/73/03/984947303.db2.gz PQBBMWPECUYFST-ZRDIBKRKSA-N -1 0 348.355 2.138 20 5 EEBDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001589260815 985912114 /nfs/dbraw/zinc/91/21/14/985912114.db2.gz JBJRJWIEBGDSJD-UHFFFAOYSA-N -1 0 331.284 2.384 20 5 EEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)OCC2(C(=O)[O-])CC2)cc1OC ZINC001597044110 986502348 /nfs/dbraw/zinc/50/23/48/986502348.db2.gz BJSYIAUQYNFZTC-UHFFFAOYSA-N -1 0 339.300 2.024 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC001597772861 989242740 /nfs/dbraw/zinc/24/27/40/989242740.db2.gz HAFOYGOZTDMYQH-UHFFFAOYSA-N -1 0 332.268 2.405 20 5 EEBDRM CC(C)[C@@]1(C)C[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001591062022 991506212 /nfs/dbraw/zinc/50/62/12/991506212.db2.gz RIEPALYXXVZLSV-TZMCWYRMSA-N -1 0 342.373 2.006 20 5 EEBDRM CN(Cc1nc2ccccc2[nH]1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598537402 992855956 /nfs/dbraw/zinc/85/59/56/992855956.db2.gz AMFOYDCJSATCSG-UHFFFAOYSA-N -1 0 327.300 2.201 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CC[C@@H](C(=O)[O-])[C@@H]2C)c([N+](=O)[O-])c1 ZINC001591657272 992989222 /nfs/dbraw/zinc/98/92/22/992989222.db2.gz LGLDLZDLOYRKBI-CMPLNLGQSA-N -1 0 335.360 2.032 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC001599621976 994096211 /nfs/dbraw/zinc/09/62/11/994096211.db2.gz IKHKNPDPBTXLSD-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM COc1cccc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)c1[N+](=O)[O-] ZINC001599642648 994381028 /nfs/dbraw/zinc/38/10/28/994381028.db2.gz ZLUWJQPJGOWKPS-UHFFFAOYSA-N -1 0 334.284 2.133 20 5 EEBDRM CC1(C)CCc2onc(Cn3cc(C(=O)[O-])cc([N+](=O)[O-])c3=O)c2C1 ZINC001593924285 996845675 /nfs/dbraw/zinc/84/56/75/996845675.db2.gz AYUIHHWDKPCOOU-UHFFFAOYSA-N -1 0 347.327 2.006 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001599196258 997221951 /nfs/dbraw/zinc/22/19/51/997221951.db2.gz XILDGXGTKGKQAC-INIZCTEOSA-N -1 0 331.328 2.213 20 5 EEBDRM COCC1(C2CCC2)CN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001599197341 997240920 /nfs/dbraw/zinc/24/09/20/997240920.db2.gz QVJQLKFAXWLUAL-UHFFFAOYSA-N -1 0 335.360 2.249 20 5 EEBDRM COCc1ncc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001599303872 997280068 /nfs/dbraw/zinc/28/00/68/997280068.db2.gz AYRPUQSHCYBQQB-UHFFFAOYSA-N -1 0 337.313 2.148 20 5 EEBDRM C[C@H]1C[C@@H](CO)CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594243248 998924666 /nfs/dbraw/zinc/92/46/66/998924666.db2.gz NFVFPFACTWYICG-DTWKUNHWSA-N -1 0 328.752 2.401 20 5 EEBDRM COC(=O)c1occc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599019424 998966373 /nfs/dbraw/zinc/96/63/73/998966373.db2.gz JFGMMRLSULYTBK-MRXNPFEDSA-N -1 0 348.311 2.064 20 5 EEBDRM O=C(NCCCCNc1ccccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179482077 233086310 /nfs/dbraw/zinc/08/63/10/233086310.db2.gz LMGWGIXTLOGEPQ-UHFFFAOYSA-N -1 0 330.344 2.318 20 5 EEBDRM O=C([O-])c1ccccc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000040517138 213331911 /nfs/dbraw/zinc/33/19/11/213331911.db2.gz UIIMDSPFEAOPPW-UHFFFAOYSA-N -1 0 326.106 2.300 20 5 EEBDRM O=C(NCc1ccc(OC(F)F)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000447180874 242252687 /nfs/dbraw/zinc/25/26/87/242252687.db2.gz AICVXMQTJJQVFC-UHFFFAOYSA-N -1 0 339.254 2.227 20 5 EEBDRM O=C([O-])C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000238040710 242908594 /nfs/dbraw/zinc/90/85/94/242908594.db2.gz QIYIUABJEZGDFA-UHFFFAOYSA-N -1 0 333.344 2.106 20 5 EEBDRM Cc1c(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000261727091 244653481 /nfs/dbraw/zinc/65/34/81/244653481.db2.gz RHISXIOWYQCDBO-CYBMUJFWSA-N -1 0 346.261 2.382 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492212914 246349120 /nfs/dbraw/zinc/34/91/20/246349120.db2.gz DYBUCAWHHJOXII-VLWUPBBWSA-N -1 0 336.319 2.460 20 5 EEBDRM C[C@@H]1CCCN(c2ccc(C(=O)N(C)CCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000362599270 296400813 /nfs/dbraw/zinc/40/08/13/296400813.db2.gz AOBBSFDWSPSUDH-GFCCVEGCSA-N -1 0 349.387 2.378 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000276871747 256475635 /nfs/dbraw/zinc/47/56/35/256475635.db2.gz CXZRZGFWXODDSY-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM O=C(c1c([O-])cccc1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000119307875 292244022 /nfs/dbraw/zinc/24/40/22/292244022.db2.gz PRSNGLWAUNVHFW-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000262577389 152293323 /nfs/dbraw/zinc/29/33/23/152293323.db2.gz DVLQQJOJRYYZFZ-VIFPVBQESA-N -1 0 333.344 2.247 20 5 EEBDRM CCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000262975599 152349041 /nfs/dbraw/zinc/34/90/41/152349041.db2.gz MYBHDVJCYBXJOZ-ZYHUDNBSSA-N -1 0 336.344 2.176 20 5 EEBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CF)C(=O)[O-] ZINC000262972628 152349215 /nfs/dbraw/zinc/34/92/15/152349215.db2.gz OTNWEUFEOSACPX-JTQLQIEISA-N -1 0 330.337 2.248 20 5 EEBDRM Cc1nn(CCC(=O)Nc2cccc(CC(=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC000263119335 152379212 /nfs/dbraw/zinc/37/92/12/152379212.db2.gz CVDPRPJIIOSXQV-UHFFFAOYSA-N -1 0 346.343 2.064 20 5 EEBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])ccc1-n1cncn1 ZINC000089541009 159183100 /nfs/dbraw/zinc/18/31/00/159183100.db2.gz PKUFOKZAPKYRMB-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM C[S@](=O)Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000092545864 159222751 /nfs/dbraw/zinc/22/27/51/159222751.db2.gz VOBNMHRBEDHUMM-HSZRJFAPSA-N -1 0 334.353 2.431 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000105781415 159304673 /nfs/dbraw/zinc/30/46/73/159304673.db2.gz XNXUPXHECYJLLW-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM Cc1csc([C@@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000189028698 160134816 /nfs/dbraw/zinc/13/48/16/160134816.db2.gz OMVMCZRTMTYHNH-LBPRGKRZSA-N -1 0 349.368 2.279 20 5 EEBDRM C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000237326623 160220851 /nfs/dbraw/zinc/22/08/51/160220851.db2.gz DASLQVUWOSFMNN-QMMMGPOBSA-N -1 0 335.341 2.169 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237666161 160223658 /nfs/dbraw/zinc/22/36/58/160223658.db2.gz PMXSGKAUUODMGI-HNNXBMFYSA-N -1 0 328.324 2.329 20 5 EEBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000341680106 161004802 /nfs/dbraw/zinc/00/48/02/161004802.db2.gz SNDDMEYVHIYHLB-UHFFFAOYSA-N -1 0 336.325 2.036 20 5 EEBDRM NC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1F ZINC000350186801 161710561 /nfs/dbraw/zinc/71/05/61/161710561.db2.gz GXFTZBXQYNLMNQ-UHFFFAOYSA-N -1 0 334.263 2.182 20 5 EEBDRM O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000352391811 162119144 /nfs/dbraw/zinc/11/91/44/162119144.db2.gz QTHXBZMSQHQFLW-LBPRGKRZSA-N -1 0 348.330 2.021 20 5 EEBDRM C[C@](CO)(CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000355171453 163101175 /nfs/dbraw/zinc/10/11/75/163101175.db2.gz GOFJDSPNEYINND-GOSISDBHSA-N -1 0 344.367 2.272 20 5 EEBDRM CCC(CC)NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000355473019 163202569 /nfs/dbraw/zinc/20/25/69/163202569.db2.gz NBSWFZCMZLAFDZ-UHFFFAOYSA-N -1 0 330.362 2.068 20 5 EEBDRM CCOC(=O)c1cnc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000356288941 163394046 /nfs/dbraw/zinc/39/40/46/163394046.db2.gz CSSAGEYAPACWHJ-UHFFFAOYSA-N -1 0 345.311 2.433 20 5 EEBDRM COC(=O)Cc1occ(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000362953434 164842552 /nfs/dbraw/zinc/84/25/52/164842552.db2.gz AWUMATARPQFAFQ-UHFFFAOYSA-N -1 0 334.284 2.170 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000376518229 167342155 /nfs/dbraw/zinc/34/21/55/167342155.db2.gz OJUNFODIAOHLBJ-CQSZACIVSA-N -1 0 326.308 2.419 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(C)(C)C[C@@H](C)C(=O)[O-] ZINC000275054843 269089597 /nfs/dbraw/zinc/08/95/97/269089597.db2.gz HKXICLSAVCHTGK-SNVBAGLBSA-N -1 0 344.389 2.071 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCSC2(CCOCC2)C1 ZINC000274577925 274208267 /nfs/dbraw/zinc/20/82/67/274208267.db2.gz GYOUATAHNPVLOV-UHFFFAOYSA-N -1 0 338.385 2.039 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000288678600 275080500 /nfs/dbraw/zinc/08/05/00/275080500.db2.gz UDXYWAIJUIVCHC-QMMMGPOBSA-N -1 0 326.296 2.008 20 5 EEBDRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293283207 293170021 /nfs/dbraw/zinc/17/00/21/293170021.db2.gz IDOFDDIBABSJGR-MRVPVSSYSA-N -1 0 329.740 2.281 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000263399859 297343289 /nfs/dbraw/zinc/34/32/89/297343289.db2.gz ZVNWFFZGGATWCB-BDAKNGLRSA-N -1 0 326.736 2.431 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000263226658 297344411 /nfs/dbraw/zinc/34/44/11/297344411.db2.gz QBCUUULXQPXUKM-SFYZADRCSA-N -1 0 344.165 2.299 20 5 EEBDRM C[C@H](C(=O)[O-])N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000263246379 298206880 /nfs/dbraw/zinc/20/68/80/298206880.db2.gz DDELYUGPPOQUNG-SSDOTTSWSA-N -1 0 332.765 2.272 20 5 EEBDRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000170748157 311395562 /nfs/dbraw/zinc/39/55/62/311395562.db2.gz OOEMNBJLLRUYIZ-UHFFFAOYSA-N -1 0 332.297 2.252 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2C)c([N+](=O)[O-])n1 ZINC000414405081 313014081 /nfs/dbraw/zinc/01/40/81/313014081.db2.gz ISKQBJIZQKMIHC-UHFFFAOYSA-N -1 0 346.315 2.199 20 5 EEBDRM Cc1cc(N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)ccc1[N+](=O)[O-] ZINC000416447944 313225724 /nfs/dbraw/zinc/22/57/24/313225724.db2.gz SLHHAWTWBORVCA-JSGCOSHPSA-N -1 0 335.360 2.025 20 5 EEBDRM O=C(NC[C@@H](O)CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436841180 315004870 /nfs/dbraw/zinc/00/48/70/315004870.db2.gz SLOGULHFKJEOJD-AWEZNQCLSA-N -1 0 330.340 2.024 20 5 EEBDRM NC(=O)Nc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000436883335 315008648 /nfs/dbraw/zinc/00/86/48/315008648.db2.gz DMAAZWUOOFVXQU-UHFFFAOYSA-N -1 0 334.263 2.182 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493086625 315874149 /nfs/dbraw/zinc/87/41/49/315874149.db2.gz ACVQQXUEOQZNBY-ZXIUILOBSA-N -1 0 336.319 2.459 20 5 EEBDRM COC(=O)N(Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1)C1CC1 ZINC000495913400 316168907 /nfs/dbraw/zinc/16/89/07/316168907.db2.gz QHSGJFHHWLWJSE-UHFFFAOYSA-N -1 0 334.288 2.081 20 5 EEBDRM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cs1 ZINC000525689159 317067598 /nfs/dbraw/zinc/06/75/98/317067598.db2.gz CABLPTOPOWLYKX-QMMMGPOBSA-N -1 0 342.402 2.048 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000537411987 318017174 /nfs/dbraw/zinc/01/71/74/318017174.db2.gz QJLFQQCLKQFZBJ-UHFFFAOYSA-N -1 0 338.360 2.296 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2nc[nH]c2n1 ZINC000541708738 318105926 /nfs/dbraw/zinc/10/59/26/318105926.db2.gz GRRCPNXMCOMAOK-UHFFFAOYSA-N -1 0 333.691 2.477 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(Cc2ccsc2)CC1 ZINC000544461970 318188146 /nfs/dbraw/zinc/18/81/46/318188146.db2.gz UHJFLFWCJPJYSC-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM CO[C@@](C)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000567273986 319365825 /nfs/dbraw/zinc/36/58/25/319365825.db2.gz HFRLWCICULCZAY-AWEZNQCLSA-N -1 0 328.752 2.499 20 5 EEBDRM CC1(C)CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000572725431 319872175 /nfs/dbraw/zinc/87/21/75/319872175.db2.gz MSXGUKUVRIDRHI-QMMMGPOBSA-N -1 0 349.265 2.234 20 5 EEBDRM Cc1cccc(NCCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000574159456 320001422 /nfs/dbraw/zinc/00/14/22/320001422.db2.gz JRYAEBPFFUWLEH-UHFFFAOYSA-N -1 0 330.344 2.449 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)CN1C ZINC000582124359 324385467 /nfs/dbraw/zinc/38/54/67/324385467.db2.gz ZZVOLWUACRHVPN-IUCAKERBSA-N -1 0 327.768 2.118 20 5 EEBDRM O=C([O-])c1cnc(NC[C@]2(CO)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000583996757 324774924 /nfs/dbraw/zinc/77/49/24/324774924.db2.gz AVSSDHQASXNHKE-DYVFJYSZSA-N -1 0 343.339 2.266 20 5 EEBDRM Cc1nn(C)c(C)c1C[C@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000521252891 448967763 /nfs/dbraw/zinc/96/77/63/448967763.db2.gz PXYUEYXYTMVWPU-QMMMGPOBSA-N -1 0 347.375 2.390 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)c([N+](=O)[O-])c1 ZINC000083955504 463569058 /nfs/dbraw/zinc/56/90/58/463569058.db2.gz WEKBRSLFVZZJGD-UHFFFAOYSA-N -1 0 340.386 2.433 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000326525902 465039937 /nfs/dbraw/zinc/03/99/37/465039937.db2.gz FXXWCBTVDABTKB-MRXNPFEDSA-N -1 0 331.328 2.071 20 5 EEBDRM O=C(NCCc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1[O-] ZINC000327688441 465053174 /nfs/dbraw/zinc/05/31/74/465053174.db2.gz QURZQYMDOMBDRZ-UHFFFAOYSA-N -1 0 344.323 2.044 20 5 EEBDRM Cc1nc(CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000336863490 465058321 /nfs/dbraw/zinc/05/83/21/465058321.db2.gz IMICLLBRAFNUMT-UHFFFAOYSA-N -1 0 345.377 2.020 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)COC3)ccc1[O-] ZINC000336875297 465068230 /nfs/dbraw/zinc/06/82/30/465068230.db2.gz FAPZPGUUVQPANA-UHFFFAOYSA-N -1 0 336.325 2.131 20 5 EEBDRM CC(C)C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000336877190 465070300 /nfs/dbraw/zinc/07/03/00/465070300.db2.gz NNEKDMFPCNVFAY-ZDUSSCGKSA-N -1 0 337.376 2.183 20 5 EEBDRM CO[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnn(C)c1 ZINC000337003963 465143391 /nfs/dbraw/zinc/14/33/91/465143391.db2.gz WQPWOAVMVFXANO-GFCCVEGCSA-N -1 0 340.723 2.014 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)Nc1ccccc1 ZINC000157888203 463182682 /nfs/dbraw/zinc/18/26/82/463182682.db2.gz MCHYKNAAQDKRKG-JTQLQIEISA-N -1 0 329.312 2.057 20 5 EEBDRM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000028695606 463231164 /nfs/dbraw/zinc/23/11/64/463231164.db2.gz JFUXUBCKBNYNMR-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM O=C([O-])c1ccccc1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000590844930 468355966 /nfs/dbraw/zinc/35/59/66/468355966.db2.gz FPXMKXZSQDMJQY-UHFFFAOYSA-N -1 0 344.327 2.036 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1 ZINC000164983768 463637365 /nfs/dbraw/zinc/63/73/65/463637365.db2.gz NLUYJADMEHFMGH-BZNIZROVSA-N -1 0 330.340 2.022 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000276952538 463818838 /nfs/dbraw/zinc/81/88/38/463818838.db2.gz CEUIZLZFUQKGJV-UHFFFAOYSA-N -1 0 334.250 2.266 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261939769 463905234 /nfs/dbraw/zinc/90/52/34/463905234.db2.gz UNBXVJVYKWIKKH-UHFFFAOYSA-N -1 0 337.332 2.368 20 5 EEBDRM CC(C)(CCC(=O)[O-])Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000261958120 463911331 /nfs/dbraw/zinc/91/13/31/463911331.db2.gz OGTSFADUPWHZEY-UHFFFAOYSA-N -1 0 330.362 2.054 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263344784 464088468 /nfs/dbraw/zinc/08/84/68/464088468.db2.gz OIKHWYKZXBDRGI-ZJUUUORDSA-N -1 0 338.385 2.500 20 5 EEBDRM CCn1nc(C)c([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C ZINC000172904865 464162396 /nfs/dbraw/zinc/16/23/96/464162396.db2.gz PCWKDVZAETXWET-UHFFFAOYSA-N -1 0 342.352 2.368 20 5 EEBDRM CCC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000237018637 464252874 /nfs/dbraw/zinc/25/28/74/464252874.db2.gz PWICKTRZEOUQEK-LBPRGKRZSA-N -1 0 335.360 2.178 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2nncn2c1 ZINC000181077033 464442054 /nfs/dbraw/zinc/44/20/54/464442054.db2.gz GOVQKXPRWQTYQP-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(N(C)C)n2)ccc1[N+](=O)[O-] ZINC000181097159 464445510 /nfs/dbraw/zinc/44/55/10/464445510.db2.gz QIPYNULFLLWXSC-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM O=C(NCCn1cnc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356421954 465372366 /nfs/dbraw/zinc/37/23/66/465372366.db2.gz QBKFFLWANCXZHO-UHFFFAOYSA-N -1 0 326.312 2.080 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1nc(C(F)(F)F)no1 ZINC000600029387 468439477 /nfs/dbraw/zinc/43/94/77/468439477.db2.gz HCURHWAXISZDOH-YFKPBYRVSA-N -1 0 346.221 2.193 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccc(CCO)cc2)cc([N+](=O)[O-])c1 ZINC000362502184 465787963 /nfs/dbraw/zinc/78/79/63/465787963.db2.gz YMSQCCALDDJVQN-UHFFFAOYSA-N -1 0 330.296 2.080 20 5 EEBDRM O=C([O-])c1cc(N2CC[C@@H](OCc3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000580078692 468462474 /nfs/dbraw/zinc/46/24/74/468462474.db2.gz AEYZXTVNDCYTKO-CQSZACIVSA-N -1 0 343.339 2.484 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCCOc2ccccc2)cc([N+](=O)[O-])c1 ZINC000350070972 466373147 /nfs/dbraw/zinc/37/31/47/466373147.db2.gz FKNUEQUECKMXON-UHFFFAOYSA-N -1 0 344.323 2.492 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c([N+](=O)[O-])c1 ZINC000350513180 466524047 /nfs/dbraw/zinc/52/40/47/466524047.db2.gz KNOYMWKCXRLWNJ-UHFFFAOYSA-N -1 0 336.373 2.237 20 5 EEBDRM CCOc1ncccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000324528197 466648324 /nfs/dbraw/zinc/64/83/24/466648324.db2.gz LVABMMYREMZGBP-UHFFFAOYSA-N -1 0 341.320 2.328 20 5 EEBDRM CC(C)C[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)[O-] ZINC000424372634 467034831 /nfs/dbraw/zinc/03/48/31/467034831.db2.gz IFJHYVNPJWLZJV-LLVKDONJSA-N -1 0 334.332 2.804 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1 ZINC000427681968 467172451 /nfs/dbraw/zinc/17/24/51/467172451.db2.gz GLTGFRLJAPQMJV-UHFFFAOYSA-N -1 0 341.367 2.258 20 5 EEBDRM O=C(NCCc1ccc2c[nH]nc2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436706211 467551308 /nfs/dbraw/zinc/55/13/08/467551308.db2.gz BUNAOZXEHARODD-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM COc1cccc(C(=O)NCC2(C(=O)[O-])CCCCC2)c1[N+](=O)[O-] ZINC000450516982 467862531 /nfs/dbraw/zinc/86/25/31/467862531.db2.gz DHXNCNZPDCIAMS-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM Cc1cc(N2CC[C@@](O)(C(F)(F)F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000517151765 468072967 /nfs/dbraw/zinc/07/29/67/468072967.db2.gz FZPFNBBZXOJGIT-LBPRGKRZSA-N -1 0 334.250 2.105 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC(n3cc(C(=O)[O-])cn3)CC2)n1 ZINC000517154758 468073528 /nfs/dbraw/zinc/07/35/28/468073528.db2.gz SSOHIIIQYSFTKU-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCO[C@H]2CCCC[C@@H]2C)n1 ZINC000577955344 468194329 /nfs/dbraw/zinc/19/43/29/468194329.db2.gz PAURIKJYHQEPGQ-GWCFXTLKSA-N -1 0 337.376 3.004 20 5 EEBDRM C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000519764858 468207605 /nfs/dbraw/zinc/20/76/05/468207605.db2.gz IZEXWCOTEOJCKA-BXKDBHETSA-N -1 0 342.373 2.150 20 5 EEBDRM C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594462752 468596255 /nfs/dbraw/zinc/59/62/55/468596255.db2.gz PSPXRGBAKOPAMU-LEWSCRJBSA-N -1 0 334.372 2.389 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000592204456 468653563 /nfs/dbraw/zinc/65/35/63/468653563.db2.gz DKDGZOGVJUKIMX-UHIISALHSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000600874744 468672844 /nfs/dbraw/zinc/67/28/44/468672844.db2.gz IDQLPEGBAKBTGX-ZDUSSCGKSA-N -1 0 349.387 2.404 20 5 EEBDRM CSC[C@H](C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877128 468673617 /nfs/dbraw/zinc/67/36/17/468673617.db2.gz RTDXTTZJMHMKAS-XPTSAGLGSA-N -1 0 326.374 2.010 20 5 EEBDRM CS[C@@H](C)CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877079 468673798 /nfs/dbraw/zinc/67/37/98/468673798.db2.gz RCELZEUMSUVREP-LKFCYVNXSA-N -1 0 326.374 2.152 20 5 EEBDRM C[C@@](NC(=O)c1cc(C2CC2)no1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877741 468673810 /nfs/dbraw/zinc/67/38/10/468673810.db2.gz SRZRCQZRONGEKF-INIZCTEOSA-N -1 0 345.311 2.190 20 5 EEBDRM CCOc1ccc(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000595251565 468793476 /nfs/dbraw/zinc/79/34/76/468793476.db2.gz SLFXSGDSNCNSBR-CZUORRHYSA-N -1 0 336.344 2.367 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000595250343 468793785 /nfs/dbraw/zinc/79/37/85/468793785.db2.gz LZZGELZTOWHKHV-WMLDXEAASA-N -1 0 345.355 2.309 20 5 EEBDRM C[C@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595280747 468799640 /nfs/dbraw/zinc/79/96/40/468799640.db2.gz ZVCVKTIOWHDACB-JGVFFNPUSA-N -1 0 349.265 2.234 20 5 EEBDRM O=C([O-])c1cnc(NC2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000592969309 468831358 /nfs/dbraw/zinc/83/13/58/468831358.db2.gz VRVOCKAVXGNGDU-UHFFFAOYSA-N -1 0 343.343 2.164 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@@H](c3cccnc3)C2)n1 ZINC000592977580 468832829 /nfs/dbraw/zinc/83/28/29/468832829.db2.gz WCBGBENHGOJJQC-SMDDNHRTSA-N -1 0 344.327 2.415 20 5 EEBDRM Cn1ccnc1[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000592980158 468833452 /nfs/dbraw/zinc/83/34/52/468833452.db2.gz HMQVXOBGUHAFTJ-FZMZJTMJSA-N -1 0 346.343 2.359 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000592982550 468833782 /nfs/dbraw/zinc/83/37/82/468833782.db2.gz HZCZHCNZZIRWBA-QGZVFWFLSA-N -1 0 345.355 2.461 20 5 EEBDRM CCCN(CCC)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593304179 468933883 /nfs/dbraw/zinc/93/38/83/468933883.db2.gz JAROSIJKZIDTAI-UHFFFAOYSA-N -1 0 330.362 2.104 20 5 EEBDRM O=C([O-])[C@]12CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000598661555 468949485 /nfs/dbraw/zinc/94/94/85/468949485.db2.gz HRTBUSIQBFCQDZ-SJKOYZFVSA-N -1 0 348.355 2.077 20 5 EEBDRM CC(C)c1ncc2c(n1)CCN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000598940713 469058247 /nfs/dbraw/zinc/05/82/47/469058247.db2.gz QYVXZYQQOPWMCU-UHFFFAOYSA-N -1 0 343.343 2.164 20 5 EEBDRM C[C@@H](N1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000573123425 469067466 /nfs/dbraw/zinc/06/74/66/469067466.db2.gz FXXRKVLQMGYHBL-SECBINFHSA-N -1 0 347.293 2.366 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000610845439 469087100 /nfs/dbraw/zinc/08/71/00/469087100.db2.gz IKVNLDYBAZMUTJ-ZDUSSCGKSA-N -1 0 335.360 2.398 20 5 EEBDRM O=[N+]([O-])c1ccc(NCCN=c2nc(C3CCOCC3)[n-]s2)cc1 ZINC000596061834 469134637 /nfs/dbraw/zinc/13/46/37/469134637.db2.gz LGDLKRURIMMPSK-UHFFFAOYSA-N -1 0 349.416 2.286 20 5 EEBDRM CC(C)(C)n1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000615565957 469271395 /nfs/dbraw/zinc/27/13/95/469271395.db2.gz QBZLTKNQYRDIOC-UHFFFAOYSA-N -1 0 342.352 2.486 20 5 EEBDRM O=C(Nc1cnn(Cc2ccccn2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611555692 469278332 /nfs/dbraw/zinc/27/83/32/469278332.db2.gz PIYUONQWWYLFDJ-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)ccc1[O-] ZINC000603440067 469395790 /nfs/dbraw/zinc/39/57/90/469395790.db2.gz YRIMLTZSLVBWGD-CYBMUJFWSA-N -1 0 349.368 2.221 20 5 EEBDRM CCc1onc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619467777 469616563 /nfs/dbraw/zinc/61/65/63/469616563.db2.gz CZKLBPAMZYJQHY-UHFFFAOYSA-N -1 0 341.345 2.263 20 5 EEBDRM Cc1ccc(S(=O)(=O)NCCCCCC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598585085 485618807 /nfs/dbraw/zinc/61/88/07/485618807.db2.gz RDQDOTPZAPKUIS-UHFFFAOYSA-N -1 0 344.389 2.135 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236582025 535009593 /nfs/dbraw/zinc/00/95/93/535009593.db2.gz XLIOAFVKHJSSCP-UHFFFAOYSA-N -1 0 346.343 2.154 20 5 EEBDRM Cc1ccc(C(=O)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000738503407 578017515 /nfs/dbraw/zinc/01/75/15/578017515.db2.gz NGSAGSVBKHMTRR-UHFFFAOYSA-N -1 0 328.280 2.423 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000737965409 575974105 /nfs/dbraw/zinc/97/41/05/575974105.db2.gz VADOHZWVKGOXDW-LBPRGKRZSA-N -1 0 336.325 2.221 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000777535219 577480760 /nfs/dbraw/zinc/48/07/60/577480760.db2.gz WZFISYRXUWEPEJ-BJOHPYRUSA-N -1 0 334.303 2.291 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000739428694 578053172 /nfs/dbraw/zinc/05/31/72/578053172.db2.gz KBBYHROCYZZOPY-UHFFFAOYSA-N -1 0 345.311 2.494 20 5 EEBDRM O=C([O-])c1c[nH]c(=O)c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000740069212 578079554 /nfs/dbraw/zinc/07/95/54/578079554.db2.gz QYKJAPQJWWJIMH-UHFFFAOYSA-N -1 0 337.675 2.299 20 5 EEBDRM O=C([O-])c1cc(OS(=O)(=O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000740088340 578080325 /nfs/dbraw/zinc/08/03/25/578080325.db2.gz STZZEULBIIVNDO-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)o1 ZINC000740134344 578082256 /nfs/dbraw/zinc/08/22/56/578082256.db2.gz TZKQVBAOVIXHCM-UHFFFAOYSA-N -1 0 345.311 2.390 20 5 EEBDRM CC[C@@H](C)[C@@](C)(O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736869337 578227569 /nfs/dbraw/zinc/22/75/69/578227569.db2.gz DMHVKAXUDYPMJP-CLAHSXSESA-N -1 0 341.320 2.410 20 5 EEBDRM CN(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC000737376451 578253533 /nfs/dbraw/zinc/25/35/33/578253533.db2.gz DWFWWDUDAYUTRY-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM CN(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1)C(=O)[O-] ZINC000737485163 578260193 /nfs/dbraw/zinc/26/01/93/578260193.db2.gz BPVCVNUYVYQYPZ-UHFFFAOYSA-N -1 0 332.316 2.295 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CS[C@@H](C)CC(=O)[O-] ZINC000737905600 578272573 /nfs/dbraw/zinc/27/25/73/578272573.db2.gz NSADAXFJUHCYMQ-QMMMGPOBSA-N -1 0 328.346 2.138 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000262104062 597156827 /nfs/dbraw/zinc/15/68/27/597156827.db2.gz JHSFZPCQQGHFHA-PSASIEDQSA-N -1 0 342.735 2.091 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000262373882 597448774 /nfs/dbraw/zinc/44/87/74/597448774.db2.gz BIXFAOHTBCDLGW-AWEZNQCLSA-N -1 0 331.328 2.015 20 5 EEBDRM O=C([O-])[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000821511641 598129852 /nfs/dbraw/zinc/12/98/52/598129852.db2.gz OCGQWNGFCIAXNX-SECBINFHSA-N -1 0 329.150 2.264 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)cs1 ZINC000833308220 600727385 /nfs/dbraw/zinc/72/73/85/600727385.db2.gz ZBDWSPJNUAVTOO-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM COc1ccc(CON=C(N)c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000832362512 600806837 /nfs/dbraw/zinc/80/68/37/600806837.db2.gz LGVPQBUYEUTQAI-UHFFFAOYSA-N -1 0 345.311 2.348 20 5 EEBDRM CCc1ccc(C(=O)NCCSCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000830232196 601059141 /nfs/dbraw/zinc/05/91/41/601059141.db2.gz HAGUIXYOGCYPNP-UHFFFAOYSA-N -1 0 326.374 2.095 20 5 EEBDRM O=C([O-])c1ccc(OCCCNC(=O)C2CCCC2)c([N+](=O)[O-])c1 ZINC000833321720 601224038 /nfs/dbraw/zinc/22/40/38/601224038.db2.gz KQCQGJZHCNZROK-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM CC[C@H](NC(=S)NCCCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000828982245 601378282 /nfs/dbraw/zinc/37/82/82/601378282.db2.gz ADBOBSBIVWEXMF-LBPRGKRZSA-N -1 0 325.390 2.375 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC000832905471 601510430 /nfs/dbraw/zinc/51/04/30/601510430.db2.gz NWBUQCOOWLIIQD-UHFFFAOYSA-N -1 0 343.339 2.415 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000832921328 601667299 /nfs/dbraw/zinc/66/72/99/601667299.db2.gz PBYVPSHGQCWEGA-GVXVVHGQSA-N -1 0 335.360 2.326 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)COc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000833114921 604807079 /nfs/dbraw/zinc/80/70/79/604807079.db2.gz XNVQZQCMRDATRI-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM Cc1[nH]c(C(=O)NCCc2cccc([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC000833739372 604865204 /nfs/dbraw/zinc/86/52/04/604865204.db2.gz CLJZNJMVXWZJAR-UHFFFAOYSA-N -1 0 331.328 2.210 20 5 EEBDRM CCCCC[C@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C(=O)[O-] ZINC000829340487 604933455 /nfs/dbraw/zinc/93/34/55/604933455.db2.gz QGQGKRIIBJFLFE-VIFPVBQESA-N -1 0 326.353 2.205 20 5 EEBDRM CCCn1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000174745135 683590980 /nfs/dbraw/zinc/59/09/80/683590980.db2.gz MATFTZHBDGXCDO-UHFFFAOYSA-N -1 0 328.325 2.141 20 5 EEBDRM CCc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000178986999 683854581 /nfs/dbraw/zinc/85/45/81/683854581.db2.gz KOUKETYWQAAECH-UHFFFAOYSA-N -1 0 348.380 2.417 20 5 EEBDRM O=C(N[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1)C1CCCCC1 ZINC001059552539 687012738 /nfs/dbraw/zinc/01/27/38/687012738.db2.gz PTGCJHSKWBCVKC-TXEJJXNPSA-N -1 0 334.376 2.335 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000263198441 689464897 /nfs/dbraw/zinc/46/48/97/689464897.db2.gz JNUUJDDOTCYQDA-MRXNPFEDSA-N -1 0 331.328 2.403 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccnc(-n2ccnc2)c1 ZINC000089530985 1212002202 /nfs/dbraw/zinc/00/22/02/1212002202.db2.gz HNVLXYKGMVREGV-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1cc(C)cc([C@H](O)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000801532534 1235792738 /nfs/dbraw/zinc/79/27/38/1235792738.db2.gz BTMPZRKPFKFNIM-MRXNPFEDSA-N -1 0 330.340 2.381 20 5 EEBDRM Cc1cc(=O)c(COC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000802170685 1237043863 /nfs/dbraw/zinc/04/38/63/1237043863.db2.gz GELQXYAVMUAYMJ-UHFFFAOYSA-N -1 0 346.343 2.334 20 5 EEBDRM CC(C)[C@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886474 1277380894 /nfs/dbraw/zinc/38/08/94/1277380894.db2.gz WTWQCMIUBWHMSP-YGRLFVJLSA-N -1 0 344.364 2.221 20 5 EEBDRM Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC001211196799 1295742993 /nfs/dbraw/zinc/74/29/93/1295742993.db2.gz FERHHKMYSNMGCE-UHFFFAOYSA-N -1 0 329.284 2.256 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2N)c([N+](=O)[O-])c1 ZINC001214175925 1296333811 /nfs/dbraw/zinc/33/38/11/1296333811.db2.gz MASWCJICTACIPG-UHFFFAOYSA-N -1 0 325.321 2.425 20 5 EEBDRM CCC1CCC(Oc2nc(=O)[n-]c(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC001226650072 1301494012 /nfs/dbraw/zinc/49/40/12/1301494012.db2.gz OROAIZHTXOOPTF-UHFFFAOYSA-N -1 0 325.321 2.225 20 5 EEBDRM COc1nc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(=O)[n-]1 ZINC001227002239 1301646083 /nfs/dbraw/zinc/64/60/83/1301646083.db2.gz CGSCSNCQQYIVBZ-UHFFFAOYSA-N -1 0 346.343 2.147 20 5 EEBDRM O=C([O-])CC[C@@H](O)C(=O)Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001227129686 1301702256 /nfs/dbraw/zinc/70/22/56/1301702256.db2.gz LVOUNACYXJHIGH-MRVPVSSYSA-N -1 0 338.099 2.033 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C)c2cn(C)nc2C)cc1[O-] ZINC001228811393 1302462466 /nfs/dbraw/zinc/46/24/66/1302462466.db2.gz QAGHCDHQBDXPKX-SECBINFHSA-N -1 0 335.316 2.269 20 5 EEBDRM O=[N+]([O-])c1c([O-])cc(O)cc1OC[C@H]1COc2cscc2O1 ZINC001228972607 1302553210 /nfs/dbraw/zinc/55/32/10/1302553210.db2.gz AJNOVNHBUIFWKZ-QMMMGPOBSA-N -1 0 325.298 2.286 20 5 EEBDRM CCOC(=O)C[C@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001229375520 1302753219 /nfs/dbraw/zinc/75/32/19/1302753219.db2.gz GTSOCWCSQJETMC-LBPRGKRZSA-N -1 0 347.327 2.472 20 5 EEBDRM O=C1OCC[C@@H]1Oc1cc2c3ccc(O)cc3oc(=O)c2cc1O ZINC001229803686 1302950862 /nfs/dbraw/zinc/95/08/62/1302950862.db2.gz QOYOHKUJPUWAFC-ZDUSSCGKSA-N -1 0 328.276 2.052 20 5 EEBDRM CCOC(=O)[C@H](CC(C)C)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231069572 1303608947 /nfs/dbraw/zinc/60/89/47/1303608947.db2.gz ATWNXNAXMBCUEE-ZETCQYMHSA-N -1 0 333.728 2.100 20 5 EEBDRM COCc1nsc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000784478473 1304486392 /nfs/dbraw/zinc/48/63/92/1304486392.db2.gz CGXPHONJGYBWPE-UHFFFAOYSA-N -1 0 328.737 2.498 20 5 EEBDRM COc1ccc(-c2noc(C([O-])=Cc3ccccc3[N+](=O)[O-])n2)cn1 ZINC001248979097 1310979278 /nfs/dbraw/zinc/97/92/78/1310979278.db2.gz MRAHPDSYTOIOHP-UHFFFAOYSA-N -1 0 340.295 2.474 20 5 EEBDRM COc1ccncc1-c1noc(C([O-])=Cc2ccccc2[N+](=O)[O-])n1 ZINC001248979039 1310979458 /nfs/dbraw/zinc/97/94/58/1310979458.db2.gz JIJIGHHSZCJJDN-UHFFFAOYSA-N -1 0 340.295 2.474 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1Nc1nc[n-]c(=O)c1Br ZINC001249546643 1317113768 /nfs/dbraw/zinc/11/37/68/1317113768.db2.gz QECZVUQDKHNAOF-UHFFFAOYSA-N -1 0 326.110 2.300 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001608577398 1351719202 /nfs/dbraw/zinc/71/92/02/1351719202.db2.gz JNHMGKSGJQULFQ-HNNXBMFYSA-N -1 0 335.291 2.248 20 5 EEBDRM CCC(O)(CC)C(C)(C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001309784719 1331641617 /nfs/dbraw/zinc/64/16/17/1331641617.db2.gz HWZWZWWEJVWLSM-UHFFFAOYSA-N -1 0 348.396 2.342 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CCO1 ZINC001608643591 1351731692 /nfs/dbraw/zinc/73/16/92/1351731692.db2.gz IPZCSJZDOAIDIT-AWEZNQCLSA-N -1 0 345.311 2.065 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC001608649772 1351733689 /nfs/dbraw/zinc/73/36/89/1351733689.db2.gz OOQFCAABSBNBMN-QMMMGPOBSA-N -1 0 348.327 2.450 20 5 EEBDRM O=C([O-])CC1CC(OC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC001608693514 1351743237 /nfs/dbraw/zinc/74/32/37/1351743237.db2.gz LZUGIUVWKMAFKO-UHFFFAOYSA-N -1 0 345.311 2.191 20 5 EEBDRM O=C([O-])CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC001608721935 1351749156 /nfs/dbraw/zinc/74/91/56/1351749156.db2.gz IDYXJONHBMLHBB-CYBMUJFWSA-N -1 0 326.324 2.190 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC001608777824 1351761208 /nfs/dbraw/zinc/76/12/08/1351761208.db2.gz QDQCSKIVKHAVEM-UHFFFAOYSA-N -1 0 342.355 2.396 20 5 EEBDRM O=C([O-])Cc1ccc(NCCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC001608780228 1351761560 /nfs/dbraw/zinc/76/15/60/1351761560.db2.gz AUTVEKQCTUHVNL-UHFFFAOYSA-N -1 0 349.387 2.473 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2ccc(OCCCO)cc2)n1 ZINC001608915562 1351793507 /nfs/dbraw/zinc/79/35/07/1351793507.db2.gz CSUASWUHKBMPHI-UHFFFAOYSA-N -1 0 333.300 2.193 20 5 EEBDRM O=C([O-])[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC001609011343 1351813855 /nfs/dbraw/zinc/81/38/55/1351813855.db2.gz RWKISVGTSMPXHT-SNVBAGLBSA-N -1 0 344.117 2.377 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001609026185 1351818740 /nfs/dbraw/zinc/81/87/40/1351818740.db2.gz RJWBHCAKARSWSC-XUJVJEKNSA-N -1 0 348.355 2.218 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cc(-c3ccoc3)[nH]n2)cc1[N+](=O)[O-] ZINC001609026483 1351818777 /nfs/dbraw/zinc/81/87/77/1351818777.db2.gz JNUWFOPCKHJLDC-UHFFFAOYSA-N -1 0 343.251 2.495 20 5 EEBDRM O=C(Nc1nnc(-c2ccncc2)s1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001321357018 1333084307 /nfs/dbraw/zinc/08/43/07/1333084307.db2.gz FGRHRDRDEGLMDA-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM CC[C@@](C)(CCO)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001609895261 1352113218 /nfs/dbraw/zinc/11/32/18/1352113218.db2.gz ACWVTARAPSFELS-HNNXBMFYSA-N -1 0 339.348 2.274 20 5 EEBDRM CCOC(=O)c1cnc(Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001610025134 1352143794 /nfs/dbraw/zinc/14/37/94/1352143794.db2.gz UQBJRKLMPMBPDO-UHFFFAOYSA-N -1 0 333.256 2.052 20 5 EEBDRM CO[C@@]1(C(F)(F)F)CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001610228760 1352190535 /nfs/dbraw/zinc/19/05/35/1352190535.db2.gz DFUIPRLXDKSTAU-LBPRGKRZSA-N -1 0 349.265 2.236 20 5 EEBDRM COc1cccc(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001610352735 1352209292 /nfs/dbraw/zinc/20/92/92/1352209292.db2.gz PBHRAXSZTFKESQ-AWEZNQCLSA-N -1 0 345.307 2.456 20 5 EEBDRM Cc1cc(N2CCN(C(=O)CC(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001610468114 1352227792 /nfs/dbraw/zinc/22/77/92/1352227792.db2.gz KZRHCZJXTMRUPS-UHFFFAOYSA-N -1 0 349.387 2.296 20 5 EEBDRM Cc1ccc(OS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001610511101 1352236105 /nfs/dbraw/zinc/23/61/05/1352236105.db2.gz YPTXRCJOSKNTST-YPMHNXCESA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610550986 1352243535 /nfs/dbraw/zinc/24/35/35/1352243535.db2.gz RCMIUBONTGMXQD-MRVPVSSYSA-N -1 0 346.343 2.450 20 5 EEBDRM Cc1nn(C)c(C)c1[C@H](C)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610568715 1352246506 /nfs/dbraw/zinc/24/65/06/1352246506.db2.gz JSRWRWBOBKUIOJ-QMMMGPOBSA-N -1 0 347.327 2.352 20 5 EEBDRM O=C([O-])[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(O)c1 ZINC001610720134 1352264623 /nfs/dbraw/zinc/26/46/23/1352264623.db2.gz MVLIQOUIGVHZMY-AWEZNQCLSA-N -1 0 338.266 2.494 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCC(=O)NCc2ccco2)c([N+](=O)[O-])c1 ZINC001610750719 1352268759 /nfs/dbraw/zinc/26/87/59/1352268759.db2.gz QRZPWTQNQRJJCN-XQRVVYSFSA-N -1 0 345.311 2.014 20 5 EEBDRM O=C([O-])CCc1nc(COc2cc(F)c([N+](=O)[O-])cc2Cl)no1 ZINC001610779016 1352273307 /nfs/dbraw/zinc/27/33/07/1352273307.db2.gz DULSKCRJUIZDFH-UHFFFAOYSA-N -1 0 345.670 2.367 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@H](OC(F)F)C1 ZINC001610817100 1352279579 /nfs/dbraw/zinc/27/95/79/1352279579.db2.gz BYYXGFHYJQKOJO-ZETCQYMHSA-N -1 0 347.230 2.019 20 5 EEBDRM O=C([O-])c1ccc(-c2nc(Cn3cccc([N+](=O)[O-])c3=O)co2)cc1 ZINC001610820771 1352280214 /nfs/dbraw/zinc/28/02/14/1352280214.db2.gz PLXMLBCWHDJDBW-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM Cc1c(NC(=O)NC2(C)CCOCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600038543 1349959677 /nfs/dbraw/zinc/95/96/77/1349959677.db2.gz BZAZSVYFNYXXON-UHFFFAOYSA-N -1 0 337.332 2.292 20 5 EEBDRM Cc1c(NC(=O)NCC2CCOCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043529 1349960958 /nfs/dbraw/zinc/96/09/58/1349960958.db2.gz SWBIPVLSYRCADS-UHFFFAOYSA-N -1 0 337.332 2.150 20 5 EEBDRM Cc1c(NCc2nc(C3CC3)nn2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600050531 1349962381 /nfs/dbraw/zinc/96/23/81/1349962381.db2.gz LDKIEAHZRDCPOT-UHFFFAOYSA-N -1 0 331.332 2.219 20 5 EEBDRM Cc1cc(C(=O)N2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001600079045 1349967015 /nfs/dbraw/zinc/96/70/15/1349967015.db2.gz CHOZGUIYBKNXSC-KJEVXHAQSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](O)c2ccccc2F)n1 ZINC001600107161 1349972679 /nfs/dbraw/zinc/97/26/79/1349972679.db2.gz QJYSMAFKQVUNKR-LBPRGKRZSA-N -1 0 335.291 2.281 20 5 EEBDRM Cc1cc(N(C)Cc2cccc(C(N)=O)c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600235776 1349998914 /nfs/dbraw/zinc/99/89/14/1349998914.db2.gz PSJFRXXTSVECEM-UHFFFAOYSA-N -1 0 343.339 2.337 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CC(=O)[O-])CC1 ZINC001600305446 1350016218 /nfs/dbraw/zinc/01/62/18/1350016218.db2.gz ZHGODANBFFAQHD-UHFFFAOYSA-N -1 0 335.360 2.028 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)c2cc(C(=O)[O-])ccn2)cc1[N+](=O)[O-] ZINC001600374186 1350033152 /nfs/dbraw/zinc/03/31/52/1350033152.db2.gz SLUWWJXUIOZEIV-SNVBAGLBSA-N -1 0 329.312 2.487 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001600486794 1350063127 /nfs/dbraw/zinc/06/31/27/1350063127.db2.gz FOFFVGWJIUCJBU-UHFFFAOYSA-N -1 0 335.341 2.296 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001600488608 1350064061 /nfs/dbraw/zinc/06/40/61/1350064061.db2.gz YWRIRAONPILJJN-BZNIZROVSA-N -1 0 333.344 2.270 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC001600552192 1350080644 /nfs/dbraw/zinc/08/06/44/1350080644.db2.gz QTMFBTNKWJOMQS-RYUDHWBXSA-N -1 0 349.387 2.415 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001600748505 1350127124 /nfs/dbraw/zinc/12/71/24/1350127124.db2.gz UPFCEECEMCKELN-CQSZACIVSA-N -1 0 348.286 2.290 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001600768015 1350132014 /nfs/dbraw/zinc/13/20/14/1350132014.db2.gz FMAHATVAGFNXSE-QMMMGPOBSA-N -1 0 332.316 2.077 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(NCCc2cc3ccc(C(=O)[O-])cc3o2)n1 ZINC001600971361 1350179777 /nfs/dbraw/zinc/17/97/77/1350179777.db2.gz ZFPGAOMEBDEPMU-UHFFFAOYSA-N -1 0 330.300 2.427 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001601260946 1350243778 /nfs/dbraw/zinc/24/37/78/1350243778.db2.gz GSUMGCWPYMRTNG-PXAZEXFGSA-N -1 0 346.339 2.023 20 5 EEBDRM O=C([O-])c1occc1COC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601351799 1350263880 /nfs/dbraw/zinc/26/38/80/1350263880.db2.gz WADDJBBNHUKTBW-UHFFFAOYSA-N -1 0 341.222 2.450 20 5 EEBDRM O=C([O-])C1=CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001601608900 1350318871 /nfs/dbraw/zinc/31/88/71/1350318871.db2.gz FVHWNPYLBDXEJX-JTQLQIEISA-N -1 0 342.311 2.438 20 5 EEBDRM O=C([O-])[C@@H](C[C@H]1CCCOC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001601641820 1350326412 /nfs/dbraw/zinc/32/64/12/1350326412.db2.gz LWTQUARTAKBLSH-LDYMZIIASA-N -1 0 329.740 2.325 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC001601720191 1350347327 /nfs/dbraw/zinc/34/73/27/1350347327.db2.gz OSXLDYNEFCSJRW-LLVKDONJSA-N -1 0 333.113 2.360 20 5 EEBDRM O=C([O-])C1=NO[C@@]2(CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])C2)C1 ZINC001601743319 1350352982 /nfs/dbraw/zinc/35/29/82/1350352982.db2.gz ICNJSCKQJHQDCR-AWEZNQCLSA-N -1 0 341.270 2.342 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@@H]2CCOC23CCOCC3)c([N+](=O)[O-])c1 ZINC001601883924 1350390497 /nfs/dbraw/zinc/39/04/97/1350390497.db2.gz VHMQNSSCOACBJC-NSRYLSIASA-N -1 0 348.355 2.443 20 5 EEBDRM O=C([O-])CCCc1nc(COc2ccc([N+](=O)[O-])c(F)c2F)no1 ZINC001602000462 1350414823 /nfs/dbraw/zinc/41/48/23/1350414823.db2.gz LKFWPDZEMLBBKO-UHFFFAOYSA-N -1 0 343.242 2.242 20 5 EEBDRM O=C([O-])Cc1ccc(N2CC[C@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001602120706 1350443748 /nfs/dbraw/zinc/44/37/48/1350443748.db2.gz HEWOEKKOUABRNM-LBPRGKRZSA-N -1 0 328.328 2.006 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001602126797 1350445468 /nfs/dbraw/zinc/44/54/68/1350445468.db2.gz RBROJKYBNBTCRP-HNNXBMFYSA-N -1 0 346.339 2.074 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001602126798 1350445797 /nfs/dbraw/zinc/44/57/97/1350445797.db2.gz RBROJKYBNBTCRP-OAHLLOKOSA-N -1 0 346.339 2.074 20 5 EEBDRM O=C([O-])[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)Oc1ccccc1 ZINC001602169321 1350456654 /nfs/dbraw/zinc/45/66/54/1350456654.db2.gz GQGJUGLDZJQZEC-CQSZACIVSA-N -1 0 342.311 2.415 20 5 EEBDRM O=C([O-])c1cc(F)cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001602272376 1350483138 /nfs/dbraw/zinc/48/31/38/1350483138.db2.gz ZNKYAGVKWZJNEZ-UHFFFAOYSA-N -1 0 332.287 2.405 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(C[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC001602298817 1350488167 /nfs/dbraw/zinc/48/81/67/1350488167.db2.gz GWWNPMCKZNFOMQ-HIFRSBDPSA-N -1 0 344.323 2.375 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(F)(F)CC1 ZINC001602298974 1350488216 /nfs/dbraw/zinc/48/82/16/1350488216.db2.gz CTOBXFYXKMTTLK-UHFFFAOYSA-N -1 0 331.231 2.437 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC(F)(F)C2(O)CCCCC2)n1 ZINC001602405131 1350511869 /nfs/dbraw/zinc/51/18/69/1350511869.db2.gz LZZGARFUEHWABC-UHFFFAOYSA-N -1 0 345.302 2.430 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC001602405419 1350511996 /nfs/dbraw/zinc/51/19/96/1350511996.db2.gz SSTPRIYBDAUVKH-UHFFFAOYSA-N -1 0 347.327 2.048 20 5 EEBDRM O=C([O-])c1cnc(N2CC[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001602527809 1350539106 /nfs/dbraw/zinc/53/91/06/1350539106.db2.gz JCXDEHOOYDAMFJ-ZDUSSCGKSA-N -1 0 329.312 2.346 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001602615463 1350558025 /nfs/dbraw/zinc/55/80/25/1350558025.db2.gz GWIKBWZFELJZAD-BDAKNGLRSA-N -1 0 333.218 2.378 20 5 EEBDRM O=C([O-])C12CC(C1)CN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001602623378 1350560112 /nfs/dbraw/zinc/56/01/12/1350560112.db2.gz XJEDCNUVKFKUCY-UHFFFAOYSA-N -1 0 328.683 2.077 20 5 EEBDRM CC(C)(C(=O)OCc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC001603050518 1350628459 /nfs/dbraw/zinc/62/84/59/1350628459.db2.gz QNKWXGOJCYKDTM-UHFFFAOYSA-N -1 0 331.332 2.254 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001603527709 1350716790 /nfs/dbraw/zinc/71/67/90/1350716790.db2.gz PMVGAIDXNHMBNW-CQSZACIVSA-N -1 0 336.344 2.173 20 5 EEBDRM CC(C)(CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001603625684 1350729858 /nfs/dbraw/zinc/72/98/58/1350729858.db2.gz WHWUKYQRHUYRFK-UHFFFAOYSA-N -1 0 328.752 2.408 20 5 EEBDRM CC(C)(CC(=O)[O-])CC(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001603583720 1350724543 /nfs/dbraw/zinc/72/45/43/1350724543.db2.gz HBHMDVQWUQYUQW-UHFFFAOYSA-N -1 0 326.261 2.299 20 5 EEBDRM C[C@](NC(=O)c1ccncc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604313649 1350913271 /nfs/dbraw/zinc/91/32/71/1350913271.db2.gz OOMLBKJZXJCNOH-OAHLLOKOSA-N -1 0 349.730 2.373 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NC/C=C/C2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604315625 1350913767 /nfs/dbraw/zinc/91/37/67/1350913767.db2.gz ZILJPDGAJPUCGC-PBKGFPTLSA-N -1 0 333.344 2.176 20 5 EEBDRM CC1(C)CCC[C@H](CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)O1 ZINC001604528359 1350955499 /nfs/dbraw/zinc/95/54/99/1350955499.db2.gz JECWCJVVAHXYMW-CYBMUJFWSA-N -1 0 336.344 2.371 20 5 EEBDRM C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604620116 1350971550 /nfs/dbraw/zinc/97/15/50/1350971550.db2.gz JXJFWOJQTRMOQK-DINDLPBHSA-N -1 0 348.355 2.016 20 5 EEBDRM C/C=C/C[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001604850583 1351018810 /nfs/dbraw/zinc/01/88/10/1351018810.db2.gz FSQVAPCNRWYZJW-PGLGOXFNSA-N -1 0 337.332 2.050 20 5 EEBDRM CCOC(=O)c1ccnc(N(CCC(=O)[O-])CC(C)C)c1[N+](=O)[O-] ZINC001605576898 1351192381 /nfs/dbraw/zinc/19/23/81/1351192381.db2.gz DZLXYTLKQWALBG-UHFFFAOYSA-N -1 0 339.348 2.104 20 5 EEBDRM Cc1cccc(CN(C)c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])n1 ZINC001605913690 1351252323 /nfs/dbraw/zinc/25/23/23/1351252323.db2.gz UJSKVMBHQNQKCJ-UHFFFAOYSA-N -1 0 343.322 2.254 20 5 EEBDRM COCCc1nsc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC001606922946 1351377260 /nfs/dbraw/zinc/37/72/60/1351377260.db2.gz DCRBGUFGLJTTET-UHFFFAOYSA-N -1 0 325.302 2.126 20 5 EEBDRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])nc2)cc([N+](=O)[O-])c1C ZINC001607087219 1351412711 /nfs/dbraw/zinc/41/27/11/1351412711.db2.gz LMZUIUKGPHJKCD-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COc1cccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1[N+](=O)[O-] ZINC001607304933 1351469529 /nfs/dbraw/zinc/46/95/29/1351469529.db2.gz OSKIKPZHJZKVMQ-UHFFFAOYSA-N -1 0 342.307 2.458 20 5 EEBDRM COc1cnc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001607355039 1351481165 /nfs/dbraw/zinc/48/11/65/1351481165.db2.gz QQENYEUJCVDSJI-UHFFFAOYSA-N -1 0 335.247 2.088 20 5 EEBDRM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1CC(=O)[O-] ZINC001607429955 1351493135 /nfs/dbraw/zinc/49/31/35/1351493135.db2.gz CJBBQLPOUGDHAL-DWZYQQQCSA-N -1 0 332.356 2.268 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](CCC(C)(C)C)C(N)=O)n1 ZINC001607589522 1351520526 /nfs/dbraw/zinc/52/05/26/1351520526.db2.gz ZWSJFLBAWIYYNI-SNVBAGLBSA-N -1 0 338.364 2.089 20 5 EEBDRM Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c(C(=O)[O-])s1 ZINC001607678661 1351538091 /nfs/dbraw/zinc/53/80/91/1351538091.db2.gz WADMFTZWMFLRSW-UHFFFAOYSA-N -1 0 338.345 2.197 20 5 EEBDRM Cc1cc(NCc2ccc(C(N)=O)cc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607695609 1351541582 /nfs/dbraw/zinc/54/15/82/1351541582.db2.gz KZNXNLGOAOAJOP-UHFFFAOYSA-N -1 0 329.312 2.312 20 5 EEBDRM Cc1ccc(NC(=O)NC2(CC(=O)[O-])CCOCC2)cc1[N+](=O)[O-] ZINC001607804164 1351562692 /nfs/dbraw/zinc/56/26/92/1351562692.db2.gz YQPXSEVIHXDUHP-UHFFFAOYSA-N -1 0 337.332 2.049 20 5 EEBDRM C[C@@H](OC[C@H]1CCCCO1)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837477164 1372787556 /nfs/dbraw/zinc/78/75/56/1372787556.db2.gz ZFNFLANJHSZECQ-BXUZGUMPSA-N -1 0 339.344 2.318 20 5 EEBDRM CNc1nccc(C(=O)Nc2scc(C(=O)[O-])c2C)c1[N+](=O)[O-] ZINC001606314118 1404788658 /nfs/dbraw/zinc/78/86/58/1404788658.db2.gz IUENBEQUMRBXQG-UHFFFAOYSA-N -1 0 336.329 2.352 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCC1 ZINC000781843614 765522666 /nfs/dbraw/zinc/52/26/66/765522666.db2.gz FIBSNHOWTQVIFU-VIFPVBQESA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000817865400 785031816 /nfs/dbraw/zinc/03/18/16/785031816.db2.gz RINNMNOTMBDLCM-GHMZBOCLSA-N -1 0 349.343 2.098 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)NCCc2n[n-]c(=S)o2)cc1Cl ZINC000841422070 788796222 /nfs/dbraw/zinc/79/62/22/788796222.db2.gz JDFAYMJFODJOKR-UHFFFAOYSA-N -1 0 342.764 2.201 20 5 EEBDRM CN(Cc1nccn1C(F)F)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844207990 788926467 /nfs/dbraw/zinc/92/64/67/788926467.db2.gz LDABGPYFJAEAKS-UHFFFAOYSA-N -1 0 340.286 2.450 20 5 EEBDRM C[C@@](O)(CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000844209558 788928743 /nfs/dbraw/zinc/92/87/43/788928743.db2.gz GUGXRGBKDWNKQZ-MRXNPFEDSA-N -1 0 331.328 2.398 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CSCCS2)n1 ZINC000844211145 788928910 /nfs/dbraw/zinc/92/89/10/788928910.db2.gz IGAGYJYBPAODOT-QMMMGPOBSA-N -1 0 329.403 2.257 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@H]2COC3(CCCC3)O2)c([N+](=O)[O-])c1 ZINC000844211234 788929494 /nfs/dbraw/zinc/92/94/94/788929494.db2.gz VHEWKTGIPMTRII-GFCCVEGCSA-N -1 0 336.344 2.320 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc([C@@H](C)O)c(C)n2)n1 ZINC000844212763 788930930 /nfs/dbraw/zinc/93/09/30/788930930.db2.gz AIBJJMZPSSCOGA-SNVBAGLBSA-N -1 0 346.343 2.365 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC=CC1 ZINC000172666867 791748319 /nfs/dbraw/zinc/74/83/19/791748319.db2.gz NUPOEXYPXWGQFJ-UHFFFAOYSA-N -1 0 330.749 2.019 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc3c(=O)[nH]c(=O)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC001176680366 798525810 /nfs/dbraw/zinc/52/58/10/798525810.db2.gz RBEDXRUYJYLMNT-UHFFFAOYSA-N -1 0 342.267 2.391 20 5 EEBDRM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000804479708 810879580 /nfs/dbraw/zinc/87/95/80/810879580.db2.gz RSKCTNZAUFWORP-MEDUHNTESA-N -1 0 330.340 2.461 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000532252601 939261029 /nfs/dbraw/zinc/26/10/29/939261029.db2.gz TZNSNLQBQPEHPF-UHFFFAOYSA-N -1 0 340.335 2.255 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001595262433 949691173 /nfs/dbraw/zinc/69/11/73/949691173.db2.gz CXFACDBGCVIESD-OLZOCXBDSA-N -1 0 327.296 2.430 20 5 EEBDRM C[C@@H](C(=O)[O-])c1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC001602825388 971642699 /nfs/dbraw/zinc/64/26/99/971642699.db2.gz UUNLXDASIRDNMN-RXMQYKEDSA-N -1 0 329.215 2.434 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)ccn1 ZINC001595208088 952345920 /nfs/dbraw/zinc/34/59/20/952345920.db2.gz QEMZAWNAUUYGCP-CHWSQXEVSA-N -1 0 327.296 2.430 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[nH]n1 ZINC001595210184 952360763 /nfs/dbraw/zinc/36/07/63/952360763.db2.gz PKFCRYCBIMDTJQ-UHFFFAOYSA-N -1 0 344.205 2.287 20 5 EEBDRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001594799178 953724466 /nfs/dbraw/zinc/72/44/66/953724466.db2.gz ZXPSMOQHYFPGLH-HAQNSBGRSA-N -1 0 341.323 2.250 20 5 EEBDRM C[C@@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)[O-] ZINC001589320536 953864056 /nfs/dbraw/zinc/86/40/56/953864056.db2.gz NSDSEPUGZKJRQT-BXKDBHETSA-N -1 0 342.298 2.398 20 5 EEBDRM CNc1c(C(=O)N2CCC(CCC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC001593803440 954866103 /nfs/dbraw/zinc/86/61/03/954866103.db2.gz ZQQDPSFVWJFQPY-UHFFFAOYSA-N -1 0 335.360 2.354 20 5 EEBDRM C[C@H](CNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001589048578 955630523 /nfs/dbraw/zinc/63/05/23/955630523.db2.gz CCBVQKCUECIOGV-YRGRVCCFSA-N -1 0 349.387 2.451 20 5 EEBDRM O=C([O-])C1(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCC1 ZINC001594731631 957046549 /nfs/dbraw/zinc/04/65/49/957046549.db2.gz ZJNLVBZUTOBCTE-UHFFFAOYSA-N -1 0 333.344 2.154 20 5 EEBDRM COc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001594050990 957990029 /nfs/dbraw/zinc/99/00/29/957990029.db2.gz VPMBNXLVDGLOPA-BXKDBHETSA-N -1 0 336.344 2.380 20 5 EEBDRM Cc1ccc(CNC(=O)c2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001594360964 958447622 /nfs/dbraw/zinc/44/76/22/958447622.db2.gz GVENNNIXSQNXGZ-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC001594381143 958621297 /nfs/dbraw/zinc/62/12/97/958621297.db2.gz KGVOEUDGUBCCTJ-NWDGAFQWSA-N -1 0 336.344 2.042 20 5 EEBDRM Cc1ccc(NCCCNc2cnc(C(=O)[O-])cn2)c([N+](=O)[O-])c1 ZINC000263421826 962594188 /nfs/dbraw/zinc/59/41/88/962594188.db2.gz PQKZFOKLZPHVOB-UHFFFAOYSA-N -1 0 331.332 2.306 20 5 EEBDRM C[C@H](C(=O)[O-])c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC001609718201 970496448 /nfs/dbraw/zinc/49/64/48/970496448.db2.gz MYSGYRLMBXOEOX-QMMMGPOBSA-N -1 0 329.272 2.019 20 5 EEBDRM C[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC001603417569 973129772 /nfs/dbraw/zinc/12/97/72/973129772.db2.gz UFRRTDYIRKENRZ-KOLCDFICSA-N -1 0 340.763 2.360 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1C(=O)[O-] ZINC001603425122 973142691 /nfs/dbraw/zinc/14/26/91/973142691.db2.gz DWSRBNZFYLGJQB-ONGXEEELSA-N -1 0 331.328 2.259 20 5 EEBDRM Nc1c(C(=O)N2CCCC[C@H]2C(=O)[O-])cc(Cl)c(F)c1[N+](=O)[O-] ZINC001605653361 974028276 /nfs/dbraw/zinc/02/82/76/974028276.db2.gz CODMHGXNOZJDNJ-QMMMGPOBSA-N -1 0 345.714 2.049 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])ccc1O ZINC001605709541 974139378 /nfs/dbraw/zinc/13/93/78/974139378.db2.gz MJWGNDGAEMBVEJ-UHFFFAOYSA-N -1 0 334.259 2.319 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccn1 ZINC001592303486 977657801 /nfs/dbraw/zinc/65/78/01/977657801.db2.gz LGZMMWGGSSNHCT-INIZCTEOSA-N -1 0 347.302 2.249 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC001592309291 977677784 /nfs/dbraw/zinc/67/77/84/977677784.db2.gz QTVZTDACGLBWMF-INIZCTEOSA-N -1 0 347.302 2.249 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@]23OCCC[C@H]2C3(F)F)c([N+](=O)[O-])c1 ZINC000849348116 979498828 /nfs/dbraw/zinc/49/88/28/979498828.db2.gz IUNHEGLLXBGRIJ-OCCSQVGLSA-N -1 0 342.298 2.448 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000864162975 979782120 /nfs/dbraw/zinc/78/21/20/979782120.db2.gz PXXPNKDKOXOPMN-GXSJLCMTSA-N -1 0 336.369 2.365 20 5 EEBDRM CC[C@H](COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001595183845 979823195 /nfs/dbraw/zinc/82/31/95/979823195.db2.gz TZFKNUPJDVKQBC-SSDOTTSWSA-N -1 0 333.243 2.464 20 5 EEBDRM C[C@@](NC(=O)/C=C/c1cccnc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593010351 980242104 /nfs/dbraw/zinc/24/21/04/980242104.db2.gz FRTKLOQFIOJNGZ-OZSKJFCKSA-N -1 0 341.323 2.119 20 5 EEBDRM CC[C@H](C(=O)[O-])C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC001594757734 981681497 /nfs/dbraw/zinc/68/14/97/981681497.db2.gz MXSZFTBBFXHRAO-VIFPVBQESA-N -1 0 331.122 2.407 20 5 EEBDRM C[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccccc1[N+](=O)[O-] ZINC001599893230 984721400 /nfs/dbraw/zinc/72/14/00/984721400.db2.gz SSADLDBKYXNHAH-SDDRHHMPSA-N -1 0 336.344 2.042 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCc2ccc([N+](=O)[O-])cc21 ZINC001599959015 985742842 /nfs/dbraw/zinc/74/28/42/985742842.db2.gz MZMWHPMABGXXME-UHFFFAOYSA-N -1 0 329.312 2.175 20 5 EEBDRM C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001589378657 986447373 /nfs/dbraw/zinc/44/73/73/986447373.db2.gz OQPDLTLUPUQZRQ-KRTXAFLBSA-N -1 0 334.250 2.209 20 5 EEBDRM CC(C)(C(=O)NCc1ncc(C(=O)[O-])s1)c1ccc([N+](=O)[O-])cc1 ZINC001589574936 987350934 /nfs/dbraw/zinc/35/09/34/987350934.db2.gz OOGFIOPEJRCJNO-UHFFFAOYSA-N -1 0 349.368 2.344 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(=O)[O-] ZINC001591024497 991317234 /nfs/dbraw/zinc/31/72/34/991317234.db2.gz RSBBVLOBAZVBGQ-CYBMUJFWSA-N -1 0 343.339 2.496 20 5 EEBDRM CN(C)c1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001598325282 991342232 /nfs/dbraw/zinc/34/22/32/991342232.db2.gz JLIPXIXQUCBUFN-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM CC(C)[C@@]1(C)C[C@@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001591061171 991498096 /nfs/dbraw/zinc/49/80/96/991498096.db2.gz FEFBFJZLHBSBED-XJKSGUPXSA-N -1 0 335.360 2.256 20 5 EEBDRM COc1ccncc1COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599722020 991555284 /nfs/dbraw/zinc/55/52/84/991555284.db2.gz SISVULUASMNKDU-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C(=O)[O-])C1CC1 ZINC001593667549 996058494 /nfs/dbraw/zinc/05/84/94/996058494.db2.gz PXFMGURTNZMBDL-QPUJVOFHSA-N -1 0 325.342 2.482 20 5 EEBDRM COc1c(C(=O)NCC2(CC(=O)[O-])CCCC2)cccc1[N+](=O)[O-] ZINC001599328180 997701564 /nfs/dbraw/zinc/70/15/64/997701564.db2.gz BBQAJIUYCDWKDQ-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CNC(C)(C)c1nocc1C(=O)[O-] ZINC001599462528 998298890 /nfs/dbraw/zinc/29/88/90/998298890.db2.gz YIJJQDQQQUVOLG-UHFFFAOYSA-N -1 0 335.316 2.315 20 5 EEBDRM O=C([O-])C1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCSCC1 ZINC000262096872 304033032 /nfs/dbraw/zinc/03/30/32/304033032.db2.gz GHXBHYKQYUBMHW-UHFFFAOYSA-N -1 0 344.776 2.328 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000236887310 242396145 /nfs/dbraw/zinc/39/61/45/242396145.db2.gz PNTKTMOVQDPPTN-LBPRGKRZSA-N -1 0 337.376 2.499 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000456524825 244279906 /nfs/dbraw/zinc/27/99/06/244279906.db2.gz FXUZGCYFIZCQIE-MLGOLLRUSA-N -1 0 343.339 2.346 20 5 EEBDRM C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C(=O)[O-])C1 ZINC000263105941 245329614 /nfs/dbraw/zinc/32/96/14/245329614.db2.gz UJTQYLVOFKYORT-BMIGLBTASA-N -1 0 345.355 2.330 20 5 EEBDRM Cc1nn(C)c(C)c1CCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097097500 218951139 /nfs/dbraw/zinc/95/11/39/218951139.db2.gz RUZVKOXYUUBAQK-UHFFFAOYSA-N -1 0 332.360 2.013 20 5 EEBDRM O=C(Nc1ccc(Cn2cncn2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179419766 255924255 /nfs/dbraw/zinc/92/42/55/255924255.db2.gz VPEOGAKJMZRVIU-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273322826 256287007 /nfs/dbraw/zinc/28/70/07/256287007.db2.gz LDOCDUXHYLMIHK-XHDPSFHLSA-N -1 0 338.385 2.085 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1[N+](=O)[O-] ZINC000274197257 256363362 /nfs/dbraw/zinc/36/33/62/256363362.db2.gz HBISBQSBZFKUCD-UHFFFAOYSA-N -1 0 349.368 2.424 20 5 EEBDRM Cc1c(CC(=O)Nc2n[nH]c(-c3ccco3)n2)cccc1[N+](=O)[O-] ZINC000119753151 292248164 /nfs/dbraw/zinc/24/81/64/292248164.db2.gz QPZAJOZWJWCRPW-UHFFFAOYSA-N -1 0 327.300 2.463 20 5 EEBDRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263179109 152396205 /nfs/dbraw/zinc/39/62/05/152396205.db2.gz GZFQTZHZKYWKBF-AOOOYVTPSA-N -1 0 347.352 2.311 20 5 EEBDRM COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000325598336 160543025 /nfs/dbraw/zinc/54/30/25/160543025.db2.gz OCYPYAMTFMNDFC-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1N(C)C ZINC000120985090 159398486 /nfs/dbraw/zinc/39/84/86/159398486.db2.gz ZXWQHXFCWVTBDG-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342561802 161074392 /nfs/dbraw/zinc/07/43/92/161074392.db2.gz IEPBFWWPSKGMIF-QMMMGPOBSA-N -1 0 335.341 2.263 20 5 EEBDRM CO[C@](C)(CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000360265570 164271666 /nfs/dbraw/zinc/27/16/66/164271666.db2.gz GOHYZKKUEQDOFV-CYBMUJFWSA-N -1 0 348.808 2.342 20 5 EEBDRM Cc1csc(N2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)n1 ZINC000164200804 226053591 /nfs/dbraw/zinc/05/35/91/226053591.db2.gz CBOLPFOEAJDHFQ-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM CO[C@@H](C)c1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cs1 ZINC000274849751 269063298 /nfs/dbraw/zinc/06/32/98/269063298.db2.gz UAVVDLZQOFHUPX-QMMMGPOBSA-N -1 0 337.357 2.394 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)C[C@@H](C)C(=O)[O-] ZINC000275286264 274234970 /nfs/dbraw/zinc/23/49/70/274234970.db2.gz SQZGCZQWXCMRLB-SECBINFHSA-N -1 0 344.389 2.071 20 5 EEBDRM O=c1[n-]nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)o1 ZINC000285729889 274782800 /nfs/dbraw/zinc/78/28/00/274782800.db2.gz SOZMHPVEKCFUPU-SNVBAGLBSA-N -1 0 341.327 2.203 20 5 EEBDRM CC(C)N(C)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000287287144 293049408 /nfs/dbraw/zinc/04/94/08/293049408.db2.gz RZJWEJZVTRPGOC-GQCTYLIASA-N -1 0 331.332 2.206 20 5 EEBDRM CCC[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000297170990 294170855 /nfs/dbraw/zinc/17/08/55/294170855.db2.gz MUEGNBMKIMLNAH-LBPRGKRZSA-N -1 0 337.376 2.404 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000263169916 297344039 /nfs/dbraw/zinc/34/40/39/297344039.db2.gz JGFOBFRXQDQIET-KOLCDFICSA-N -1 0 333.344 2.027 20 5 EEBDRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000236730512 298312974 /nfs/dbraw/zinc/31/29/74/298312974.db2.gz XVOZXWSKMAACBL-GFCCVEGCSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000170747380 311395280 /nfs/dbraw/zinc/39/52/80/311395280.db2.gz XCDJLTMTCKOPDN-UHFFFAOYSA-N -1 0 344.258 2.330 20 5 EEBDRM CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H](CC)CN1C(C)=O ZINC000331000243 311806764 /nfs/dbraw/zinc/80/67/64/311806764.db2.gz JSBVDENDSFGTKX-KBPBESRZSA-N -1 0 349.387 2.162 20 5 EEBDRM Cc1ccc(NCCN2c3ccccc3[N-]S2(=O)=O)c([N+](=O)[O-])c1 ZINC000430550013 314543600 /nfs/dbraw/zinc/54/36/00/314543600.db2.gz UQMFZMXBSAILOG-UHFFFAOYSA-N -1 0 348.384 2.492 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](C)C1 ZINC000435954451 314934648 /nfs/dbraw/zinc/93/46/48/314934648.db2.gz QRSCYFKXLYDBKW-KCJUWKMLSA-N -1 0 342.373 2.068 20 5 EEBDRM C[C@@H]1Oc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2NC1=O ZINC000436637739 314982564 /nfs/dbraw/zinc/98/25/64/314982564.db2.gz BFOPPGKUNBLGDB-QMMMGPOBSA-N -1 0 343.295 2.272 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCOc2ccc(F)cc2C1 ZINC000436832521 315004030 /nfs/dbraw/zinc/00/40/30/315004030.db2.gz RXBKYSKWXLGQBL-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccs1 ZINC000436957079 315015949 /nfs/dbraw/zinc/01/59/49/315015949.db2.gz RSNPIOAGUNAQKK-LBPRGKRZSA-N -1 0 336.325 2.006 20 5 EEBDRM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436990554 315020651 /nfs/dbraw/zinc/02/06/51/315020651.db2.gz QRHMVPWGPFAWSH-LBPRGKRZSA-N -1 0 336.344 2.247 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000517155193 316643951 /nfs/dbraw/zinc/64/39/51/316643951.db2.gz CASFQCCOMGHLRQ-UHFFFAOYSA-N -1 0 342.373 2.294 20 5 EEBDRM CCOC(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000547808349 318325230 /nfs/dbraw/zinc/32/52/30/318325230.db2.gz MUQXKROXBLMUGU-UHFFFAOYSA-N -1 0 331.284 2.124 20 5 EEBDRM Cn1cc(C[C@H]2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)cn1 ZINC000563207649 318984279 /nfs/dbraw/zinc/98/42/79/318984279.db2.gz WNYKWWISWXSYDV-LLVKDONJSA-N -1 0 330.344 2.096 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000563887884 319052789 /nfs/dbraw/zinc/05/27/89/319052789.db2.gz DGNSQYAVCIOUIE-XHDPSFHLSA-N -1 0 348.355 2.324 20 5 EEBDRM Cc1cn2c(n1)[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CCC2 ZINC000564214533 319072950 /nfs/dbraw/zinc/07/29/50/319072950.db2.gz PVWCECMNHXHGJM-JTQLQIEISA-N -1 0 331.332 2.182 20 5 EEBDRM CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565060323 319145005 /nfs/dbraw/zinc/14/50/05/319145005.db2.gz AIOGAANFFHSCJV-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(c3cccnn3)CC2)c1 ZINC000566740612 319316751 /nfs/dbraw/zinc/31/67/51/319316751.db2.gz VFDAZXZOXTZCLG-UHFFFAOYSA-N -1 0 343.343 2.164 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000567810328 319421960 /nfs/dbraw/zinc/42/19/60/319421960.db2.gz SRLIRIGPVOIVHF-UHFFFAOYSA-N -1 0 344.389 2.215 20 5 EEBDRM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000573255104 319918038 /nfs/dbraw/zinc/91/80/38/319918038.db2.gz LFOQPAWPGBMFDK-NXEZZACHSA-N -1 0 342.373 2.150 20 5 EEBDRM CNc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000574304112 320014140 /nfs/dbraw/zinc/01/41/40/320014140.db2.gz NPWYXVCVJXMMDS-LBPRGKRZSA-N -1 0 335.360 2.496 20 5 EEBDRM CCCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000578079853 320293502 /nfs/dbraw/zinc/29/35/02/320293502.db2.gz FGHVNGOPCYEFJE-UHFFFAOYSA-N -1 0 344.389 2.411 20 5 EEBDRM CCCOc1ncccc1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578196302 320300241 /nfs/dbraw/zinc/30/02/41/320300241.db2.gz CLCDQTBRJKRKNX-UHFFFAOYSA-N -1 0 332.316 2.484 20 5 EEBDRM Cc1cc(N[C@H]2CC[C@@H](C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000580894647 324148677 /nfs/dbraw/zinc/14/86/77/324148677.db2.gz JFZHPMGRUQJBOR-OLZOCXBDSA-N -1 0 342.355 2.447 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)ccc1[N+](=O)[O-] ZINC000581894720 324337899 /nfs/dbraw/zinc/33/78/99/324337899.db2.gz DELNEBXBYQEYDL-UHFFFAOYSA-N -1 0 338.345 2.005 20 5 EEBDRM O=C([O-])CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCOCC1 ZINC000583975078 324769514 /nfs/dbraw/zinc/76/95/14/324769514.db2.gz ZWKJKNDDERTRTK-UHFFFAOYSA-N -1 0 348.311 2.047 20 5 EEBDRM O=C(C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CCCCC1 ZINC000486939880 447826891 /nfs/dbraw/zinc/82/68/91/447826891.db2.gz OUEFJDOXYAMQSR-UHFFFAOYSA-N -1 0 331.332 2.069 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2Cc3ccccc3O2)n1 ZINC000518984531 448728586 /nfs/dbraw/zinc/72/85/86/448728586.db2.gz AANOANKONHLQAW-NSHDSACASA-N -1 0 329.312 2.412 20 5 EEBDRM O=C([O-])C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000192416080 464921428 /nfs/dbraw/zinc/92/14/28/464921428.db2.gz WDMCDRJXFZVGGG-UHFFFAOYSA-N -1 0 329.312 2.080 20 5 EEBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc([N+](=O)[O-])c[nH]c1=O ZINC000354602470 465048675 /nfs/dbraw/zinc/04/86/75/465048675.db2.gz NYZHLAQDTYMMDV-UHFFFAOYSA-N -1 0 327.655 2.446 20 5 EEBDRM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000339066038 465062781 /nfs/dbraw/zinc/06/27/81/465062781.db2.gz DSRBDFQCFOTSHV-SNVBAGLBSA-N -1 0 343.339 2.482 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000336879928 465076637 /nfs/dbraw/zinc/07/66/37/465076637.db2.gz ODOCZHJAMGKZTE-UHFFFAOYSA-N -1 0 328.324 2.194 20 5 EEBDRM COc1cc(C(=O)Nc2cccc(OCC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000336891982 465084541 /nfs/dbraw/zinc/08/45/41/465084541.db2.gz QVQISKXLRQPCLF-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM COc1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128551613 462651768 /nfs/dbraw/zinc/65/17/68/462651768.db2.gz BEUWJVAZVOYBED-UHFFFAOYSA-N -1 0 340.332 2.221 20 5 EEBDRM CCc1ccc([C@@H](CO)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000092678942 462972750 /nfs/dbraw/zinc/97/27/50/462972750.db2.gz JWMHZKWLHIRDOZ-CQSZACIVSA-N -1 0 330.340 2.326 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCC2(c3ccccc3)CC2)ccc1[O-] ZINC000590763316 468331445 /nfs/dbraw/zinc/33/14/45/468331445.db2.gz WQKIZWXBUGVTRA-UHFFFAOYSA-N -1 0 348.380 2.311 20 5 EEBDRM O=C(N[C@@H]1CCC[C@H]1CCO)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000521879717 468337540 /nfs/dbraw/zinc/33/75/40/468337540.db2.gz PNMXXWXPKYWSGR-GZMMTYOYSA-N -1 0 328.752 2.235 20 5 EEBDRM Cn1cnc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])c2)n1 ZINC000121695967 463180015 /nfs/dbraw/zinc/18/00/15/463180015.db2.gz IKWZRVJBTUBWHQ-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM O=C(NCc1ccccc1-n1ccnc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159321432 463280154 /nfs/dbraw/zinc/28/01/54/463280154.db2.gz AUBVQHHGYKZZDT-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])s2)sc1C(=O)[O-] ZINC000110788106 463663538 /nfs/dbraw/zinc/66/35/38/463663538.db2.gz MXAFTKTXWRLJTG-UHFFFAOYSA-N -1 0 327.343 2.049 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000261609635 463800859 /nfs/dbraw/zinc/80/08/59/463800859.db2.gz AWRWNJRXKPDMOO-KOLCDFICSA-N -1 0 338.385 2.500 20 5 EEBDRM O=c1[n-]nc([C@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)o1 ZINC000283362623 463859600 /nfs/dbraw/zinc/85/96/00/463859600.db2.gz AHGOBHMAUGKXTC-NSHDSACASA-N -1 0 341.327 2.203 20 5 EEBDRM O=C(Nc1ccn(Cc2ccncc2)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000178220576 463863458 /nfs/dbraw/zinc/86/34/58/463863458.db2.gz ZAKYCINMZWQILF-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM Cc1cc(C)nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000185707799 463864776 /nfs/dbraw/zinc/86/47/76/463864776.db2.gz OTCXQRMKLZJDTE-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncccc2OC(F)F)cc1 ZINC000171772440 463924696 /nfs/dbraw/zinc/92/46/96/463924696.db2.gz QXBKCPGDQQIIIM-UHFFFAOYSA-N -1 0 345.283 2.392 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](OCc2ccncc2)C1 ZINC000172093056 463987323 /nfs/dbraw/zinc/98/73/23/463987323.db2.gz QFHFRHYJXJUIRR-AWEZNQCLSA-N -1 0 343.339 2.127 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000263278009 464076515 /nfs/dbraw/zinc/07/65/15/464076515.db2.gz RBXHJTFCCDBLIS-QMMMGPOBSA-N -1 0 326.736 2.255 20 5 EEBDRM Cc1csc([C@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000189024944 464418128 /nfs/dbraw/zinc/41/81/28/464418128.db2.gz LFPAWSJPMCHOPF-GFCCVEGCSA-N -1 0 349.368 2.279 20 5 EEBDRM C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)CC(=O)[O-] ZINC000271939224 464421066 /nfs/dbraw/zinc/42/10/66/464421066.db2.gz FCVQLRRMJPGJIO-LBPRGKRZSA-N -1 0 349.387 2.426 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000285012732 464426521 /nfs/dbraw/zinc/42/65/21/464426521.db2.gz HSAUKDTWPRPALE-UHFFFAOYSA-N -1 0 336.373 2.237 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000285096706 464453143 /nfs/dbraw/zinc/45/31/43/464453143.db2.gz NLYKPFGEBGLSSE-UHFFFAOYSA-N -1 0 340.336 2.068 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cnn(CC3CC3)c2)s1 ZINC000181516204 464500781 /nfs/dbraw/zinc/50/07/81/464500781.db2.gz RARFNDOQAGDHPE-UHFFFAOYSA-N -1 0 342.402 2.410 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H](C)C(=O)[O-] ZINC000294467885 464509281 /nfs/dbraw/zinc/50/92/81/464509281.db2.gz FJIIXWCXFXFSJB-RYUDHWBXSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000281794892 464589039 /nfs/dbraw/zinc/58/90/39/464589039.db2.gz HXBLQLMVEDXMFK-PJWUVIBKSA-N -1 0 330.340 2.321 20 5 EEBDRM CC(C)(C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1)C(N)=O ZINC000295790682 464964671 /nfs/dbraw/zinc/96/46/71/464964671.db2.gz DKNDDIVDTNDDQS-NSHDSACASA-N -1 0 349.387 2.054 20 5 EEBDRM COC(=O)[C@@]12CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C[C@@H]1CCCC2 ZINC000356343701 465325996 /nfs/dbraw/zinc/32/59/96/465325996.db2.gz BQBFQPRAILRJIV-SJCJKPOMSA-N -1 0 348.355 2.106 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](CCO)c1ccccc1 ZINC000356729307 465510605 /nfs/dbraw/zinc/51/06/05/465510605.db2.gz OLLHKJXSIMYVSR-AWEZNQCLSA-N -1 0 330.340 2.496 20 5 EEBDRM Cc1cnc(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c(C)c1 ZINC000593947123 468441798 /nfs/dbraw/zinc/44/17/98/468441798.db2.gz OIMCRTCIOYCMLN-UHFFFAOYSA-N -1 0 330.344 2.663 20 5 EEBDRM Cc1nc(=NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s[n-]1 ZINC000353217834 465722706 /nfs/dbraw/zinc/72/27/06/465722706.db2.gz MTTGEZIJWCKXAH-UHFFFAOYSA-N -1 0 330.272 2.030 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000357330243 465953596 /nfs/dbraw/zinc/95/35/96/465953596.db2.gz NVXVKXGPVVOSRF-UHFFFAOYSA-N -1 0 349.368 2.057 20 5 EEBDRM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000362866398 466083357 /nfs/dbraw/zinc/08/33/57/466083357.db2.gz IUZXZVICEAGXQK-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM COCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000361607534 466138799 /nfs/dbraw/zinc/13/87/99/466138799.db2.gz PIRQLGVDOXTLOV-UHFFFAOYSA-N -1 0 337.357 2.245 20 5 EEBDRM COC[C@](C)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000340679619 466257880 /nfs/dbraw/zinc/25/78/80/466257880.db2.gz NXFOEZNVUZGOJZ-INIZCTEOSA-N -1 0 334.328 2.434 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)o1 ZINC000347417464 466623240 /nfs/dbraw/zinc/62/32/40/466623240.db2.gz MSZXBXJPNPCWDZ-UHFFFAOYSA-N -1 0 343.295 2.157 20 5 EEBDRM CC(C)(CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(=O)[O-] ZINC000424409204 467043388 /nfs/dbraw/zinc/04/33/88/467043388.db2.gz WVXYOLJHYCKCGJ-UHFFFAOYSA-N -1 0 335.360 2.163 20 5 EEBDRM CC(C)C[C@@H](C(N)=O)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000412233577 467046049 /nfs/dbraw/zinc/04/60/49/467046049.db2.gz OPXDEVSXXJUORB-QMMMGPOBSA-N -1 0 329.740 2.040 20 5 EEBDRM COCCCn1ccc([N-]c2ncc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000413156395 467180046 /nfs/dbraw/zinc/18/00/46/467180046.db2.gz FGOZYDIRJNXZJH-UHFFFAOYSA-N -1 0 345.281 2.985 20 5 EEBDRM C[S@@](=O)Cc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000428022838 467194198 /nfs/dbraw/zinc/19/41/98/467194198.db2.gz NRKBHBWLUUTONF-HSZRJFAPSA-N -1 0 334.353 2.431 20 5 EEBDRM C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)[O-] ZINC000431649006 467531324 /nfs/dbraw/zinc/53/13/24/467531324.db2.gz SHZMPKLMXKPTSX-ZETCQYMHSA-N -1 0 346.289 2.162 20 5 EEBDRM O=C(Nc1ccc(Cn2ccnc2)cn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436699588 467551119 /nfs/dbraw/zinc/55/11/19/467551119.db2.gz VGTRHRUOAOBMTD-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM Cn1ccc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2c1=O ZINC000436729084 467552810 /nfs/dbraw/zinc/55/28/10/467552810.db2.gz FFIXVISRDUYBMG-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](C)Oc2ccccc2)n1 ZINC000565482968 468132562 /nfs/dbraw/zinc/13/25/62/468132562.db2.gz BMANFCUNPVVYOS-LLVKDONJSA-N -1 0 331.328 2.876 20 5 EEBDRM O=C(Nc1nc2n(n1)CCCC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000519700385 468196832 /nfs/dbraw/zinc/19/68/32/468196832.db2.gz GNWWGZQAISSQET-UHFFFAOYSA-N -1 0 337.723 2.134 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@H]2Cc3ccccc3CO2)c1[N+](=O)[O-] ZINC000600678863 468618905 /nfs/dbraw/zinc/61/89/05/468618905.db2.gz VYVCVWPPPQNCBE-LBPRGKRZSA-N -1 0 329.312 2.241 20 5 EEBDRM C[C@@H]1C[C@@H](CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000600871722 468672109 /nfs/dbraw/zinc/67/21/09/468672109.db2.gz IJJPGJCKPGBWOA-MNOVXSKESA-N -1 0 336.344 2.228 20 5 EEBDRM COCc1cccc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000583324641 468680841 /nfs/dbraw/zinc/68/08/41/468680841.db2.gz DCNIFSZZTDXJHZ-UHFFFAOYSA-N -1 0 331.328 2.755 20 5 EEBDRM CC(C)(CO)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cccnc1 ZINC000597844392 468689834 /nfs/dbraw/zinc/68/98/34/468689834.db2.gz DQGMIJQIHQABEP-OAHLLOKOSA-N -1 0 345.355 2.185 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000592468166 468704657 /nfs/dbraw/zinc/70/46/57/468704657.db2.gz GHFGVCQVPMGODQ-UHFFFAOYSA-N -1 0 336.344 2.077 20 5 EEBDRM O=C(N[C@H]1CC[C@@H](CO)CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592776099 468782425 /nfs/dbraw/zinc/78/24/25/468782425.db2.gz PCSSERPBOZTGJH-WAAGHKOSSA-N -1 0 328.752 2.235 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@H]12 ZINC000595245367 468791531 /nfs/dbraw/zinc/79/15/31/468791531.db2.gz NSQXXBVJTZMBDS-YRGRVCCFSA-N -1 0 333.344 2.095 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000595244920 468792160 /nfs/dbraw/zinc/79/21/60/468792160.db2.gz OASOSXDPJCWHSE-YLTRJXTNSA-N -1 0 336.369 2.151 20 5 EEBDRM CC[C@](CNC(=O)c1cc([N+](=O)[O-])cn1C)(C(=O)[O-])c1ccccc1 ZINC000560919161 468854128 /nfs/dbraw/zinc/85/41/28/468854128.db2.gz KZXULPJKPHXZOB-QGZVFWFLSA-N -1 0 345.355 2.096 20 5 EEBDRM COc1cc(C(=O)N(CC(=O)[O-])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000610845814 469087249 /nfs/dbraw/zinc/08/72/49/469087249.db2.gz GWCAXWTZBFOFCH-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593703870 469102489 /nfs/dbraw/zinc/10/24/89/469102489.db2.gz QREUQIQUDSATJK-NWDGAFQWSA-N -1 0 338.747 2.431 20 5 EEBDRM O=C([O-])[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1c1ccccc1 ZINC000595973185 469104104 /nfs/dbraw/zinc/10/41/04/469104104.db2.gz GTBOFTJMEMESKP-QWHCGFSZSA-N -1 0 331.303 2.434 20 5 EEBDRM O=C([O-])C[C@H]1COCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000593746619 469121777 /nfs/dbraw/zinc/12/17/77/469121777.db2.gz NOIHVHSZMFXWOR-NSHDSACASA-N -1 0 348.277 2.289 20 5 EEBDRM Cc1cc(N2CCO[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000574056743 469254362 /nfs/dbraw/zinc/25/43/62/469254362.db2.gz HKAPFFFVQKQGSJ-LLVKDONJSA-N -1 0 334.250 2.212 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000604496650 469483129 /nfs/dbraw/zinc/48/31/29/469483129.db2.gz UQSWMXWURXNMQT-UHFFFAOYSA-N -1 0 342.307 2.328 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000619541907 469634812 /nfs/dbraw/zinc/63/48/12/469634812.db2.gz ZVSWLFJOEPZTTA-ZDUSSCGKSA-N -1 0 335.360 2.175 20 5 EEBDRM COc1cccc2c1OC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C2 ZINC000613930878 469818581 /nfs/dbraw/zinc/81/85/81/469818581.db2.gz JKLHJISROIKMLU-LBPRGKRZSA-N -1 0 344.323 2.043 20 5 EEBDRM CC(C)(C)CC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000263108389 534601194 /nfs/dbraw/zinc/60/11/94/534601194.db2.gz JLBYNYHMQMYIQH-NSHDSACASA-N -1 0 338.360 2.369 20 5 EEBDRM O=C([N-]OCCC(F)(F)F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000155100002 534712263 /nfs/dbraw/zinc/71/22/63/534712263.db2.gz XNMDKENHPIBIPK-LLVKDONJSA-N -1 0 347.249 2.088 20 5 EEBDRM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160177508 528528393 /nfs/dbraw/zinc/52/83/93/528528393.db2.gz CXSRFBCACKQFBV-CYBMUJFWSA-N -1 0 349.387 2.069 20 5 EEBDRM Cc1cc(C(=O)Nc2nnc(CCC(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC000738339608 578010133 /nfs/dbraw/zinc/01/01/33/578010133.db2.gz UHUZBFKUBUQMCQ-UHFFFAOYSA-N -1 0 336.329 2.024 20 5 EEBDRM Cc1nccn1CCCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738373253 578011421 /nfs/dbraw/zinc/01/14/21/578011421.db2.gz FPCVEQGEOJEWMN-UHFFFAOYSA-N -1 0 346.343 2.008 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000776507599 577461166 /nfs/dbraw/zinc/46/11/66/577461166.db2.gz OXWNFOJQQFHCBZ-SKDRFNHKSA-N -1 0 340.401 2.453 20 5 EEBDRM Cc1ccncc1C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000768761991 577561904 /nfs/dbraw/zinc/56/19/04/577561904.db2.gz YKXILPJYMNGUKP-UHFFFAOYSA-N -1 0 349.368 2.034 20 5 EEBDRM O=C(NC[C@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000768925278 577565792 /nfs/dbraw/zinc/56/57/92/577565792.db2.gz LNPVEJWYPXGUDU-NSHDSACASA-N -1 0 328.324 2.282 20 5 EEBDRM C[C@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000769299969 577574530 /nfs/dbraw/zinc/57/45/30/577574530.db2.gz UYLODFJPMRSTAG-DTWKUNHWSA-N -1 0 332.403 2.288 20 5 EEBDRM COc1nc(C(=O)O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc(=O)[n-]1 ZINC000770517736 577597907 /nfs/dbraw/zinc/59/79/07/577597907.db2.gz IZBBIZBALOYCIM-VIFPVBQESA-N -1 0 333.300 2.325 20 5 EEBDRM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762967832 577712078 /nfs/dbraw/zinc/71/20/78/577712078.db2.gz POOPPJFMMQVHEJ-UHFFFAOYSA-N -1 0 333.329 2.250 20 5 EEBDRM O=C(NC[C@@H]1COc2ccccc2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000754888394 577815742 /nfs/dbraw/zinc/81/57/42/577815742.db2.gz HLODKBQTWJBDNW-LLVKDONJSA-N -1 0 328.324 2.282 20 5 EEBDRM Cc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000744001745 577892004 /nfs/dbraw/zinc/89/20/04/577892004.db2.gz JACGCYJMFASXHH-JTQLQIEISA-N -1 0 338.341 2.105 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc21 ZINC000744041442 577892489 /nfs/dbraw/zinc/89/24/89/577892489.db2.gz UWFNWMSEEYCZCN-CQSZACIVSA-N -1 0 346.364 2.048 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@H]1CC12CCCC2 ZINC000747476954 577945164 /nfs/dbraw/zinc/94/51/64/577945164.db2.gz AVXWSDLHRKLJKX-SECBINFHSA-N -1 0 330.387 2.042 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000738665161 578023209 /nfs/dbraw/zinc/02/32/09/578023209.db2.gz RYSAEQSPTJPASD-UHFFFAOYSA-N -1 0 333.252 2.234 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@]2(O)CCCc3ccccc32)c1[N+](=O)[O-] ZINC000738692762 578023976 /nfs/dbraw/zinc/02/39/76/578023976.db2.gz CFKYSEXDJZSDOV-QGZVFWFLSA-N -1 0 343.339 2.324 20 5 EEBDRM O=C([O-])N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000739373242 578050822 /nfs/dbraw/zinc/05/08/22/578050822.db2.gz HUNWEZCOLZJWND-NSHDSACASA-N -1 0 348.359 2.041 20 5 EEBDRM O=C([O-])N1CCC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000739390015 578051719 /nfs/dbraw/zinc/05/17/19/578051719.db2.gz WQHYSMLTSJXPGU-LBPRGKRZSA-N -1 0 348.359 2.041 20 5 EEBDRM O=C([O-])Nc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)ccc1F ZINC000740007311 578077067 /nfs/dbraw/zinc/07/70/67/578077067.db2.gz WVXAYFVLVHUVAT-UHFFFAOYSA-N -1 0 337.267 2.049 20 5 EEBDRM O=C([O-])c1cc(OS(=O)(=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000740088720 578080327 /nfs/dbraw/zinc/08/03/27/578080327.db2.gz WTDGAJKGGQLMLL-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000736652231 578216501 /nfs/dbraw/zinc/21/65/01/578216501.db2.gz BMGMNBPVUVRSHK-VIFPVBQESA-N -1 0 330.296 2.490 20 5 EEBDRM CCO[C@@H](C)c1noc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000737156906 578241291 /nfs/dbraw/zinc/24/12/91/578241291.db2.gz IHRBNXDYUATOGB-QMMMGPOBSA-N -1 0 337.288 2.353 20 5 EEBDRM CCO[C@H](C)c1noc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000737158327 578241355 /nfs/dbraw/zinc/24/13/55/578241355.db2.gz PSMMWXRJFOWEMY-MRVPVSSYSA-N -1 0 337.288 2.353 20 5 EEBDRM CCO[C@@H](C)c1noc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000737158329 578241377 /nfs/dbraw/zinc/24/13/77/578241377.db2.gz PSMMWXRJFOWEMY-QMMMGPOBSA-N -1 0 337.288 2.353 20 5 EEBDRM O=C([O-])c1cccc(OCCOC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000833118664 600704557 /nfs/dbraw/zinc/70/45/57/600704557.db2.gz NXZCBATZHCXXFG-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM CN(CC(=O)O[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000830697023 600726264 /nfs/dbraw/zinc/72/62/64/600726264.db2.gz GVARDJLCZVVHTD-MRXNPFEDSA-N -1 0 344.323 2.400 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000826044444 601161779 /nfs/dbraw/zinc/16/17/79/601161779.db2.gz GQTXFOMTHWNJHW-QMTHXVAHSA-N -1 0 331.328 2.125 20 5 EEBDRM CC[C@H](NC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000828944116 601549666 /nfs/dbraw/zinc/54/96/66/601549666.db2.gz XGDWXQDVPVZILM-BPNCWPANSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C([O-])C=Cc1ccc(N[C@@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000833197239 602160566 /nfs/dbraw/zinc/16/05/66/602160566.db2.gz NERUJUQLWQKISH-RDNKVPPGSA-N -1 0 328.328 2.385 20 5 EEBDRM CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1(C(=O)[O-])CCCC1 ZINC000830472706 604708499 /nfs/dbraw/zinc/70/84/99/604708499.db2.gz YHLQXOGTXAXNRD-UHFFFAOYSA-N -1 0 336.344 2.220 20 5 EEBDRM O=C([O-])Cc1ccc(OC(=O)COc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000833775936 605805158 /nfs/dbraw/zinc/80/51/58/605805158.db2.gz CWJPABKAAFRTLS-UHFFFAOYSA-N -1 0 349.270 2.345 20 5 EEBDRM Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000178462582 677817758 /nfs/dbraw/zinc/81/77/58/677817758.db2.gz IUYPXQHLZGCEQZ-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000179412218 679828730 /nfs/dbraw/zinc/82/87/30/679828730.db2.gz SGOYRGOFIDZDDK-UHFFFAOYSA-N -1 0 329.268 2.412 20 5 EEBDRM CCOC(=O)c1ccnc(N[C@H](C(=O)[O-])[C@@H](C)CC)c1[N+](=O)[O-] ZINC000262145345 684044742 /nfs/dbraw/zinc/04/47/42/684044742.db2.gz QHZUIEOFSGIDOS-WPRPVWTQSA-N -1 0 325.321 2.078 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C(=O)[O-])C1 ZINC000263033051 688916858 /nfs/dbraw/zinc/91/68/58/688916858.db2.gz ORODGLLKEZJKCI-ZANVPECISA-N -1 0 331.328 2.401 20 5 EEBDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120558497 1198208477 /nfs/dbraw/zinc/20/84/77/1198208477.db2.gz LPDFJCHVRLDPRQ-NXEZZACHSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCC2CC2)cc([N+](=O)[O-])c1C ZINC000115900675 1228556860 /nfs/dbraw/zinc/55/68/60/1228556860.db2.gz RPSMHNHIQVHVQA-UHFFFAOYSA-N -1 0 326.374 2.207 20 5 EEBDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000815916014 1278306404 /nfs/dbraw/zinc/30/64/04/1278306404.db2.gz HPTIQKUZYZMZBN-UHFFFAOYSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000850151371 1277065009 /nfs/dbraw/zinc/06/50/09/1277065009.db2.gz UIVVOESEJJAAEI-HZSPNIEDSA-N -1 0 348.355 2.039 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000115925250 1294039135 /nfs/dbraw/zinc/03/91/35/1294039135.db2.gz YHNSLUOKCVTNPU-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC001211192975 1295738725 /nfs/dbraw/zinc/73/87/25/1295738725.db2.gz CWLSKRVXJYQJGP-UHFFFAOYSA-N -1 0 341.320 2.126 20 5 EEBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000780281972 1298913993 /nfs/dbraw/zinc/91/39/93/1298913993.db2.gz AXBURUWLTODEAV-UHFFFAOYSA-N -1 0 338.345 2.278 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H](C)C2CCCC2)c1[N+](=O)[O-] ZINC001226016596 1301233544 /nfs/dbraw/zinc/23/35/44/1301233544.db2.gz AEUHDUKLRFFZGJ-QMMMGPOBSA-N -1 0 325.321 2.225 20 5 EEBDRM O=C([O-])C[C@H](O)C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001226384967 1301390007 /nfs/dbraw/zinc/39/00/07/1301390007.db2.gz DKUHYKHWZGPRLQ-ZDUSSCGKSA-N -1 0 331.280 2.003 20 5 EEBDRM CC[C@@H]1CCCC[C@@H]1Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226652390 1301494573 /nfs/dbraw/zinc/49/45/73/1301494573.db2.gz LEHOLKQAJPABCT-BDAKNGLRSA-N -1 0 325.321 2.225 20 5 EEBDRM CC[C@@H](C)C[C@@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226653060 1301495919 /nfs/dbraw/zinc/49/59/19/1301495919.db2.gz QJWPYNNDOTWUFH-RKDXNWHRSA-N -1 0 327.337 2.471 20 5 EEBDRM CSc1nc(O[C@@H]2CCC(=O)CC2(C)C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624641 1301914076 /nfs/dbraw/zinc/91/40/76/1301914076.db2.gz BMOTXKGEBHJASZ-MRVPVSSYSA-N -1 0 327.362 2.339 20 5 EEBDRM CO[C@@H](C)CO[C@H](C)COc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228244954 1302173692 /nfs/dbraw/zinc/17/36/92/1302173692.db2.gz MORJTSIMQGXQCJ-VHSXEESVSA-N -1 0 337.332 2.062 20 5 EEBDRM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])C1 ZINC001228968623 1302550032 /nfs/dbraw/zinc/55/00/32/1302550032.db2.gz OJOBIRWFGVISBP-SNVBAGLBSA-N -1 0 340.332 2.394 20 5 EEBDRM COc1cccc2c1[C@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])CCO2 ZINC001229378657 1302754500 /nfs/dbraw/zinc/75/45/00/1302754500.db2.gz IINGWMMWKDPBIP-LLVKDONJSA-N -1 0 333.300 2.310 20 5 EEBDRM CCc1occc1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000797547961 1304770693 /nfs/dbraw/zinc/77/06/93/1304770693.db2.gz POSBCCVMUPIHQS-UHFFFAOYSA-N -1 0 338.341 2.010 20 5 EEBDRM O=C(N[C@H](CCO)Cc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000799807630 1305445096 /nfs/dbraw/zinc/44/50/96/1305445096.db2.gz GCDNEWPOMVSPHB-CQSZACIVSA-N -1 0 330.340 2.024 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000835232596 1314906146 /nfs/dbraw/zinc/90/61/46/1314906146.db2.gz VSOFQLPEJXAGKI-UHFFFAOYSA-N -1 0 344.364 2.365 20 5 EEBDRM COc1ccc(CSCC(=O)[N-]OC2CCC2)cc1[N+](=O)[O-] ZINC000836798072 1315027152 /nfs/dbraw/zinc/02/71/52/1315027152.db2.gz FSCBLJYEACMHNS-UHFFFAOYSA-N -1 0 326.374 2.437 20 5 EEBDRM CC(C)[C@@H](CO)O[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000836893015 1315039278 /nfs/dbraw/zinc/03/92/78/1315039278.db2.gz VKYMFXVJMPUJBF-CYBMUJFWSA-N -1 0 328.340 2.076 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)C[C@@H](C)C(=O)[O-] ZINC000841511316 1315568079 /nfs/dbraw/zinc/56/80/79/1315568079.db2.gz XKOPRDFPHKREMX-SSDOTTSWSA-N -1 0 330.724 2.192 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H]1SC(=O)[N-]C1=O ZINC001163674521 1321189150 /nfs/dbraw/zinc/18/91/50/1321189150.db2.gz PVVFEQOEQGZFBA-GFCCVEGCSA-N -1 0 325.346 2.411 20 5 EEBDRM Cc1nc(N(C)C)sc1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC001261293415 1322059923 /nfs/dbraw/zinc/05/99/23/1322059923.db2.gz LLIGNKRIIWRYMD-UHFFFAOYSA-N -1 0 337.357 2.488 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001601213334 1350232594 /nfs/dbraw/zinc/23/25/94/1350232594.db2.gz ABPLCJOADCJHPU-UHFFFAOYSA-N -1 0 339.323 2.176 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001601213413 1350232615 /nfs/dbraw/zinc/23/26/15/1350232615.db2.gz DBZFNERTBVSABV-UHFFFAOYSA-N -1 0 337.238 2.406 20 5 EEBDRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC001603372592 1350697494 /nfs/dbraw/zinc/69/74/94/1350697494.db2.gz BNLSNQXUHOKSOQ-UHFFFAOYSA-N -1 0 338.360 2.213 20 5 EEBDRM Cc1cc(OS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607703363 1351543033 /nfs/dbraw/zinc/54/30/33/1351543033.db2.gz VFAQAMFUTHDIBN-YPMHNXCESA-N -1 0 343.357 2.255 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N(CC2CC2)C2CCC2)ccc1[O-] ZINC001309440521 1331629537 /nfs/dbraw/zinc/62/95/37/1331629537.db2.gz NXDGADJZWLHNJE-UHFFFAOYSA-N -1 0 326.374 2.254 20 5 EEBDRM O=C([O-])c1ccnc(N2CCCC[C@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001608952614 1351801807 /nfs/dbraw/zinc/80/18/07/1351801807.db2.gz DZDSJPJBLGXDLA-RYUDHWBXSA-N -1 0 335.360 2.331 20 5 EEBDRM O=C([O-])c1ccoc1Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1 ZINC001608955756 1351802562 /nfs/dbraw/zinc/80/25/62/1351802562.db2.gz OAGMJRJOOSGRSX-UHFFFAOYSA-N -1 0 332.247 2.332 20 5 EEBDRM CC(C)c1occc1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001325039815 1333816130 /nfs/dbraw/zinc/81/61/30/1333816130.db2.gz QJHJDVVERQPXIK-UHFFFAOYSA-N -1 0 338.341 2.430 20 5 EEBDRM C[C@@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)c1cccc([N+](=O)[O-])c1 ZINC001609631753 1352046334 /nfs/dbraw/zinc/04/63/34/1352046334.db2.gz NSWARBTZRSNYAR-SECBINFHSA-N -1 0 349.368 2.445 20 5 EEBDRM CC(C)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc(C(=O)[O-])on1 ZINC001609679567 1352057423 /nfs/dbraw/zinc/05/74/23/1352057423.db2.gz AWYBLFFLPTWWMT-UHFFFAOYSA-N -1 0 334.288 2.338 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2C[C@H](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001609770737 1352080990 /nfs/dbraw/zinc/08/09/90/1352080990.db2.gz CORGPPQPTHSDKB-WHOHXGKFSA-N -1 0 349.387 2.278 20 5 EEBDRM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC001609875119 1352108966 /nfs/dbraw/zinc/10/89/66/1352108966.db2.gz RWVLHNRPCNMQJO-PRHODGIISA-N -1 0 348.277 2.445 20 5 EEBDRM COC(=O)c1cccnc1COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610219551 1352189414 /nfs/dbraw/zinc/18/94/14/1352189414.db2.gz MXZVYWWGRLFKLQ-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001610288049 1352200430 /nfs/dbraw/zinc/20/04/30/1352200430.db2.gz AMVGZPKXZMFBNM-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000848637763 1338734387 /nfs/dbraw/zinc/73/43/87/1338734387.db2.gz MIGMEBBMQXQJCC-SNVBAGLBSA-N -1 0 341.320 2.072 20 5 EEBDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001610476744 1352229038 /nfs/dbraw/zinc/22/90/38/1352229038.db2.gz OBZILRLWKQFLLF-UHFFFAOYSA-N -1 0 345.311 2.201 20 5 EEBDRM Cc1nc2ncnn2c(Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1C ZINC001610561675 1352245410 /nfs/dbraw/zinc/24/54/10/1352245410.db2.gz AJMJMKNQVNHXCR-UHFFFAOYSA-N -1 0 329.272 2.140 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001610795556 1352276011 /nfs/dbraw/zinc/27/60/11/1352276011.db2.gz KFGNFNMQZSGMDG-UHFFFAOYSA-N -1 0 349.730 2.452 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC001610808880 1352278628 /nfs/dbraw/zinc/27/86/28/1352278628.db2.gz UCXFMXCGBNFXRB-NSHDSACASA-N -1 0 345.311 2.301 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCCOC[C@H]1CCOC1 ZINC001610817394 1352279789 /nfs/dbraw/zinc/27/97/89/1352279789.db2.gz HVVNNZCSYUSWTM-VIFPVBQESA-N -1 0 344.751 2.411 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001610823814 1352280880 /nfs/dbraw/zinc/28/08/80/1352280880.db2.gz OLBYJAOEOAIRKP-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM Cc1c(NC(=O)N(C)C[C@@H]2CCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600035013 1349959022 /nfs/dbraw/zinc/95/90/22/1349959022.db2.gz VBBTXSBUOWMDSV-JTQLQIEISA-N -1 0 337.332 2.102 20 5 EEBDRM Cc1cc(=O)n(Cc2ccc(C(=O)[O-])c3cccnc23)cc1[N+](=O)[O-] ZINC001600065591 1349964571 /nfs/dbraw/zinc/96/45/71/1349964571.db2.gz HJMNDRBDAKHENR-UHFFFAOYSA-N -1 0 339.307 2.360 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(c3cncn3C)CC2)n1 ZINC001600105900 1349972214 /nfs/dbraw/zinc/97/22/14/1349972214.db2.gz YXSMUTTZCGSZJH-UHFFFAOYSA-N -1 0 345.359 2.114 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)C(=O)OC(C)(C)C)n1 ZINC001600105176 1349972318 /nfs/dbraw/zinc/97/23/18/1349972318.db2.gz BFEROGDPLDKROB-MRVPVSSYSA-N -1 0 325.321 2.139 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](c3ccncc3)C2)n1 ZINC001600105421 1349972351 /nfs/dbraw/zinc/97/23/51/1349972351.db2.gz OXKXFFPSEPSNTL-LBPRGKRZSA-N -1 0 328.328 2.385 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001600218828 1349995676 /nfs/dbraw/zinc/99/56/76/1349995676.db2.gz BLISXLUPSOXCQT-YTWAJWBKSA-N -1 0 338.747 2.396 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC001600304025 1350015672 /nfs/dbraw/zinc/01/56/72/1350015672.db2.gz LERUHTFZOMBWTA-CQSZACIVSA-N -1 0 329.312 2.196 20 5 EEBDRM Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1O ZINC001600400429 1350040883 /nfs/dbraw/zinc/04/08/83/1350040883.db2.gz OGKSZWVQPFSMCN-UHFFFAOYSA-N -1 0 330.296 2.488 20 5 EEBDRM Cc1ccc(CNC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600417088 1350046253 /nfs/dbraw/zinc/04/62/53/1350046253.db2.gz SLGNHGZLLXCGEB-DGCLKSJQSA-N -1 0 335.360 2.155 20 5 EEBDRM Cc1noc([C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C(C)C)n1 ZINC001600805112 1350140681 /nfs/dbraw/zinc/14/06/81/1350140681.db2.gz TXZFFRPAHGGLDH-LBPRGKRZSA-N -1 0 348.315 2.112 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H](OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001601390976 1350272314 /nfs/dbraw/zinc/27/23/14/1350272314.db2.gz GBZFWRPQJZVKNN-GWCFXTLKSA-N -1 0 347.327 2.131 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC001601469693 1350290900 /nfs/dbraw/zinc/29/09/00/1350290900.db2.gz JDVCBDNOVGGSDS-UHFFFAOYSA-N -1 0 341.323 2.251 20 5 EEBDRM O=C([O-])[C@@H](F)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001601522600 1350299792 /nfs/dbraw/zinc/29/97/92/1350299792.db2.gz XFRHIORZDBSVCG-LBPRGKRZSA-N -1 0 347.302 2.491 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001601823014 1350372896 /nfs/dbraw/zinc/37/28/96/1350372896.db2.gz LOOHBUIKSQTUDI-SNVBAGLBSA-N -1 0 326.736 2.114 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001601860160 1350383249 /nfs/dbraw/zinc/38/32/49/1350383249.db2.gz QDPAOYARWWJVGE-NSHDSACASA-N -1 0 337.401 2.123 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@@H]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001601882614 1350389849 /nfs/dbraw/zinc/38/98/49/1350389849.db2.gz KDZJTFXQDIOUBZ-FXMSTWTQSA-N -1 0 334.328 2.400 20 5 EEBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601949383 1350403809 /nfs/dbraw/zinc/40/38/09/1350403809.db2.gz RXDSIMIZZXGDJI-VIFPVBQESA-N -1 0 342.298 2.271 20 5 EEBDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC001602111300 1350441284 /nfs/dbraw/zinc/44/12/84/1350441284.db2.gz GRXZLNQFBKICRH-ZJUUUORDSA-N -1 0 331.328 2.449 20 5 EEBDRM O=C([O-])Cc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC001602121114 1350444350 /nfs/dbraw/zinc/44/43/50/1350444350.db2.gz CGCAZKPOCWAELR-OAHLLOKOSA-N -1 0 348.286 2.033 20 5 EEBDRM O=C([O-])Cc1csc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC001602153382 1350453092 /nfs/dbraw/zinc/45/30/92/1350453092.db2.gz YWVQRZBTFXQKGW-NWDGAFQWSA-N -1 0 347.352 2.421 20 5 EEBDRM O=C([O-])c1c[nH]c(=O)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001602235279 1350472746 /nfs/dbraw/zinc/47/27/46/1350472746.db2.gz WHIVMKJIMFEUIU-UHFFFAOYSA-N -1 0 337.675 2.299 20 5 EEBDRM O=C([O-])c1cc(-c2nc(COCC(F)(F)F)no2)cc([N+](=O)[O-])c1 ZINC001602236695 1350473257 /nfs/dbraw/zinc/47/32/57/1350473257.db2.gz RQBGBRXBIQVLIL-UHFFFAOYSA-N -1 0 347.205 2.422 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@@H]2OCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001602246202 1350475464 /nfs/dbraw/zinc/47/54/64/1350475464.db2.gz KKNSILPHLGMWSH-HNNXBMFYSA-N -1 0 342.307 2.294 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2nccc3ccncc32)cc([N+](=O)[O-])c1 ZINC001602249648 1350476629 /nfs/dbraw/zinc/47/66/29/1350476629.db2.gz VYIFOHSVBHDIOI-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC001602387711 1350508138 /nfs/dbraw/zinc/50/81/38/1350508138.db2.gz HVKTZQLJQMZECO-AWEZNQCLSA-N -1 0 329.264 2.202 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(N3CCCCC3=O)CC2)c1 ZINC001602404118 1350511528 /nfs/dbraw/zinc/51/15/28/1350511528.db2.gz ZOZQCLVZSKQORL-UHFFFAOYSA-N -1 0 347.371 2.274 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC[C@@H]2CCC3(CCOCC3)O2)c1 ZINC001602407954 1350512861 /nfs/dbraw/zinc/51/28/61/1350512861.db2.gz KIBCAMJHEBXCCB-LBPRGKRZSA-N -1 0 337.328 2.400 20 5 EEBDRM O=C([O-])c1ccnc(N2CC[C@@H](Cc3nccs3)C2)c1[N+](=O)[O-] ZINC001602480085 1350528762 /nfs/dbraw/zinc/52/87/62/1350528762.db2.gz HWRXKWMTJKTROR-VIFPVBQESA-N -1 0 334.357 2.214 20 5 EEBDRM CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(=O)[O-] ZINC001603636369 1350732017 /nfs/dbraw/zinc/73/20/17/1350732017.db2.gz OYGZCOOITMHOBL-UHFFFAOYSA-N -1 0 332.316 2.375 20 5 EEBDRM CC(C)c1cc(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n[nH]1 ZINC001603990333 1350822376 /nfs/dbraw/zinc/82/23/76/1350822376.db2.gz WOEKJMWHOQEBTM-UHFFFAOYSA-N -1 0 333.300 2.497 20 5 EEBDRM C/C=C\C[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001604850582 1351019008 /nfs/dbraw/zinc/01/90/08/1351019008.db2.gz FSQVAPCNRWYZJW-DLRQAJBASA-N -1 0 337.332 2.050 20 5 EEBDRM CC[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(=O)[O-] ZINC001605033136 1351063358 /nfs/dbraw/zinc/06/33/58/1351063358.db2.gz ITBZSSMSIQYNGP-LURJTMIESA-N -1 0 330.728 2.063 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@@H](CC)O1 ZINC001605174180 1351095055 /nfs/dbraw/zinc/09/50/55/1351095055.db2.gz PXWRNUSUDBGSOV-ZIAGYGMSSA-N -1 0 336.344 2.323 20 5 EEBDRM CCNC(=O)[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC001605495645 1351171167 /nfs/dbraw/zinc/17/11/67/1351171167.db2.gz AYKOCAWVWLKAOW-VFADXPBXSA-N -1 0 335.360 2.265 20 5 EEBDRM CN(C[C@H](O)C(F)(F)F)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001606094352 1351269635 /nfs/dbraw/zinc/26/96/35/1351269635.db2.gz USEIWMWJVWGAPS-QMMMGPOBSA-N -1 0 342.657 2.306 20 5 EEBDRM COC[C@](C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001606783815 1351355940 /nfs/dbraw/zinc/35/59/40/1351355940.db2.gz CFPSPFMTBNLTIB-AWEZNQCLSA-N -1 0 344.751 2.166 20 5 EEBDRM CON(Cc1ccc(C)o1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001606994975 1351394958 /nfs/dbraw/zinc/39/49/58/1351394958.db2.gz GVYIQNNLJLMKRT-UHFFFAOYSA-N -1 0 334.284 2.398 20 5 EEBDRM C[C@@H](NCc1noc(CCCC(=O)[O-])n1)c1ccc([N+](=O)[O-])cc1 ZINC001607423384 1351492330 /nfs/dbraw/zinc/49/23/30/1351492330.db2.gz FLNRPOXXKAIUQP-SNVBAGLBSA-N -1 0 334.332 2.236 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC3(CCOCC3)[C@@H]2C2CC2)n1 ZINC001607588811 1351520522 /nfs/dbraw/zinc/52/05/22/1351520522.db2.gz BEHIUVOSVAZFFZ-AWEZNQCLSA-N -1 0 347.371 2.392 20 5 EEBDRM Cc1nccnc1CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001607991722 1351599525 /nfs/dbraw/zinc/59/95/25/1351599525.db2.gz VZHPZNIIUBWVHO-HWKANZROSA-N -1 0 328.328 2.446 20 5 EEBDRM Cn1nccc1[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001608161841 1351637724 /nfs/dbraw/zinc/63/77/24/1351637724.db2.gz BULKIEDRWCGOQQ-OAHLLOKOSA-N -1 0 330.344 2.364 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001608400727 1351687366 /nfs/dbraw/zinc/68/73/66/1351687366.db2.gz HQCACPJAKGEYPT-CYBMUJFWSA-N -1 0 349.730 2.069 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000837389083 1372784052 /nfs/dbraw/zinc/78/40/52/1372784052.db2.gz VNRUQNUDTGLFIZ-LLVKDONJSA-N -1 0 348.355 2.135 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC000839518671 1372906680 /nfs/dbraw/zinc/90/66/80/1372906680.db2.gz HKKRIMWZZYCJOL-UHFFFAOYSA-N -1 0 349.265 2.150 20 5 EEBDRM CN(C)c1cc(F)c(C(=O)NCCC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001606050998 1404759480 /nfs/dbraw/zinc/75/94/80/1404759480.db2.gz VNGBISXLNWROOS-UHFFFAOYSA-N -1 0 341.339 2.031 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2C[C@H]3C[C@@]3(c3ccccc3)C2)n1 ZINC000906152810 783742254 /nfs/dbraw/zinc/74/22/54/783742254.db2.gz XMIOKEQDSDOENV-PXAZEXFGSA-N -1 0 325.324 2.466 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000817865403 785031510 /nfs/dbraw/zinc/03/15/10/785031510.db2.gz RINNMNOTMBDLCM-WDEREUQCSA-N -1 0 349.343 2.098 20 5 EEBDRM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000820058323 785763941 /nfs/dbraw/zinc/76/39/41/785763941.db2.gz GWJGLAKPVSFJEH-WCBMZHEXSA-N -1 0 332.403 2.288 20 5 EEBDRM Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1C(=O)[O-] ZINC000910277543 786607749 /nfs/dbraw/zinc/60/77/49/786607749.db2.gz YTERIARMTNHKAY-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCSCCCO)c([N+](=O)[O-])c1 ZINC000844209561 788928918 /nfs/dbraw/zinc/92/89/18/788928918.db2.gz WHVLICQXJUDOIE-HWKANZROSA-N -1 0 326.374 2.220 20 5 EEBDRM CNc1c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cccc1[N+](=O)[O-] ZINC000793108610 810146952 /nfs/dbraw/zinc/14/69/52/810146952.db2.gz AZVBDWCKTSWVET-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM O=C(OCCc1nnc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])[n-]1 ZINC000806115344 811767934 /nfs/dbraw/zinc/76/79/34/811767934.db2.gz ZIJVPDQWFQJSJL-UHFFFAOYSA-N -1 0 328.284 2.372 20 5 EEBDRM CC(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1[N+](=O)[O-] ZINC000263479043 939114278 /nfs/dbraw/zinc/11/42/78/939114278.db2.gz AEDVZVXFKYDTAD-HNNXBMFYSA-N -1 0 338.385 2.408 20 5 EEBDRM O=C([O-])[C@@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCSC1 ZINC000864126108 939249087 /nfs/dbraw/zinc/24/90/87/939249087.db2.gz MVCUWHDUEJLTOO-MRXNPFEDSA-N -1 0 346.364 2.438 20 5 EEBDRM O=C([O-])[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000610846135 939807721 /nfs/dbraw/zinc/80/77/21/939807721.db2.gz MJAIEBWKGSNMLH-KRWDZBQOSA-N -1 0 326.308 2.251 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001601531074 971010702 /nfs/dbraw/zinc/01/07/02/971010702.db2.gz JTZFDLGLZYBFPD-JGVFFNPUSA-N -1 0 330.699 2.114 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C(=O)[O-] ZINC001589348396 954067541 /nfs/dbraw/zinc/06/75/41/954067541.db2.gz SCWHENZDUZFWAF-NOZJJQNGSA-N -1 0 331.328 2.259 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC001574770673 957756835 /nfs/dbraw/zinc/75/68/35/957756835.db2.gz PPWUAVWJLPADJU-FXUDXRNXSA-N -1 0 344.367 2.268 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1F ZINC001594329879 958208611 /nfs/dbraw/zinc/20/86/11/958208611.db2.gz SBIYSPPQWIVTQB-VIFPVBQESA-N -1 0 342.298 2.412 20 5 EEBDRM C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001603227510 972346514 /nfs/dbraw/zinc/34/65/14/972346514.db2.gz RBOCASTVKUBDEA-WKPIXPDZSA-N -1 0 347.371 2.408 20 5 EEBDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001594227613 959439585 /nfs/dbraw/zinc/43/95/85/959439585.db2.gz YNIYCHUMUKAPOC-UANNBLPKSA-N -1 0 330.243 2.246 20 5 EEBDRM Cc1ccc(CNC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001605274013 973064925 /nfs/dbraw/zinc/06/49/25/973064925.db2.gz XBOSMACNDKXDNQ-GWCFXTLKSA-N -1 0 335.360 2.155 20 5 EEBDRM O=C([O-])CSCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC001606302073 973712792 /nfs/dbraw/zinc/71/27/92/973712792.db2.gz IRUJUQCKBLRRGB-UHFFFAOYSA-N -1 0 349.162 2.114 20 5 EEBDRM CC[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001603587714 973783850 /nfs/dbraw/zinc/78/38/50/973783850.db2.gz PITDXBPSLYWYKQ-SECBINFHSA-N -1 0 332.106 2.377 20 5 EEBDRM CCOc1cc(NC(=O)N(CC)[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603860011 974359743 /nfs/dbraw/zinc/35/97/43/974359743.db2.gz CPLNWDGDEZGGLL-VIFPVBQESA-N -1 0 325.321 2.320 20 5 EEBDRM CC(C)n1cc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])nn1 ZINC001592126707 976947795 /nfs/dbraw/zinc/94/77/95/976947795.db2.gz BBNMIDDXFAVTOL-XQRVVYSFSA-N -1 0 331.332 2.477 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC001592289571 977606313 /nfs/dbraw/zinc/60/63/13/977606313.db2.gz ICDFZFIVHKENQW-KRWDZBQOSA-N -1 0 343.339 2.039 20 5 EEBDRM CCCC[C@@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001595635299 981901567 /nfs/dbraw/zinc/90/15/67/981901567.db2.gz LQFAJAKRNVFIGM-GFCCVEGCSA-N -1 0 338.360 2.432 20 5 EEBDRM CC[C@@H](C)C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594943777 982623546 /nfs/dbraw/zinc/62/35/46/982623546.db2.gz YILCLOMOJAOSEB-BXKDBHETSA-N -1 0 326.324 2.282 20 5 EEBDRM CCOC(=O)c1ccnc(N[C@H](CC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001596732714 985012644 /nfs/dbraw/zinc/01/26/44/985012644.db2.gz NECSCJAXQIWDGI-SNVBAGLBSA-N -1 0 339.348 2.468 20 5 EEBDRM Cc1[nH]c(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC001599947873 985559385 /nfs/dbraw/zinc/55/93/85/985559385.db2.gz SAERZKWBVYQNEB-UHFFFAOYSA-N -1 0 346.295 2.278 20 5 EEBDRM Cc1[nH]nc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001599967559 985935921 /nfs/dbraw/zinc/93/59/21/985935921.db2.gz SKRSZLJHKYSQKP-UHFFFAOYSA-N -1 0 342.670 2.369 20 5 EEBDRM CCc1ccc(C(=O)Nc2cccc(CC(=O)[O-])n2)cc1[N+](=O)[O-] ZINC001597503729 988073677 /nfs/dbraw/zinc/07/36/77/988073677.db2.gz WVDQAUMAIANEBX-UHFFFAOYSA-N -1 0 329.312 2.432 20 5 EEBDRM COc1cccc([C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001599686687 990998720 /nfs/dbraw/zinc/99/87/20/990998720.db2.gz MSZJBORZZOLJEX-AWEZNQCLSA-N -1 0 330.296 2.159 20 5 EEBDRM CC(C)C[C@@H]1C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001591448940 992554183 /nfs/dbraw/zinc/55/41/83/992554183.db2.gz UWLLGMRYKBEHGN-BXKDBHETSA-N -1 0 342.373 2.006 20 5 EEBDRM CN1CCOc2ccc(Nc3ncc(C(=O)[O-])cc3[N+](=O)[O-])cc21 ZINC001598625946 994093141 /nfs/dbraw/zinc/09/31/41/994093141.db2.gz SVEFBOVMLMBSSM-UHFFFAOYSA-N -1 0 330.300 2.260 20 5 EEBDRM CNc1c(C(=O)NCC2(C(=O)[O-])CCCCC2)cccc1[N+](=O)[O-] ZINC001598677660 994872867 /nfs/dbraw/zinc/87/28/67/994872867.db2.gz VYEGKNLIZGEUGG-UHFFFAOYSA-N -1 0 335.360 2.401 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(NCC2(CC(=O)[O-])CCCC2)n1 ZINC001598987970 998711794 /nfs/dbraw/zinc/71/17/94/998711794.db2.gz LOJPTFNALAHEAD-UHFFFAOYSA-N -1 0 337.332 2.223 20 5 EEBDRM CC[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)C[C@@H](C)O1 ZINC001526345049 1120504919 /nfs/dbraw/zinc/50/49/19/1120504919.db2.gz QNHHSFBHMOCQNT-PWSUYJOCSA-N -1 0 347.375 2.100 20 5 EEBDRM CCC(CC)(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000342534445 282140366 /nfs/dbraw/zinc/14/03/66/282140366.db2.gz WBFKJBSBYABZRI-UHFFFAOYSA-N -1 0 346.343 2.154 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2noc(C3CC3)n2)c1C ZINC000183399325 235048452 /nfs/dbraw/zinc/04/84/52/235048452.db2.gz YOKDOSONKHCCBC-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000013036281 299246639 /nfs/dbraw/zinc/24/66/39/299246639.db2.gz SGFOFDGHIUFTJX-SRVKXCTJSA-N -1 0 349.387 2.280 20 5 EEBDRM O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000456337393 244220534 /nfs/dbraw/zinc/22/05/34/244220534.db2.gz WVIQGANRRSONLE-BLLLJJGKSA-N -1 0 343.339 2.346 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000456543384 244285101 /nfs/dbraw/zinc/28/51/01/244285101.db2.gz PYTRVJNOQJARFB-BDJLRTHQSA-N -1 0 343.339 2.346 20 5 EEBDRM CCOC[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000262214375 244865872 /nfs/dbraw/zinc/86/58/72/244865872.db2.gz WFRAACDLHHRVKQ-NSHDSACASA-N -1 0 336.344 2.182 20 5 EEBDRM CN(CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000262835043 245203069 /nfs/dbraw/zinc/20/30/69/245203069.db2.gz QTPZKAKCBVGEPN-PXAZEXFGSA-N -1 0 349.387 2.181 20 5 EEBDRM C[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[C@H]1C(=O)[O-] ZINC000262908834 245245450 /nfs/dbraw/zinc/24/54/50/245245450.db2.gz IOLWRBKJWRLQOS-GXFFZTMASA-N -1 0 345.355 2.188 20 5 EEBDRM O=C([O-])[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433508 304184205 /nfs/dbraw/zinc/18/42/05/304184205.db2.gz BCOKHBFHBNNZIZ-ZETCQYMHSA-N -1 0 330.138 2.053 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000083955311 217564545 /nfs/dbraw/zinc/56/45/45/217564545.db2.gz ZMAAEJAIYXFCHT-UHFFFAOYSA-N -1 0 348.793 2.463 20 5 EEBDRM CC(C)(NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000095969798 218474252 /nfs/dbraw/zinc/47/42/52/218474252.db2.gz FBPATOMYXJUSJB-UHFFFAOYSA-N -1 0 335.341 2.311 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2sc(C)nc2C)ccc1[N+](=O)[O-] ZINC000268297084 251804385 /nfs/dbraw/zinc/80/43/85/251804385.db2.gz WRRYKYLBDRQKTK-UHFFFAOYSA-N -1 0 343.386 2.478 20 5 EEBDRM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000271743186 256240211 /nfs/dbraw/zinc/24/02/11/256240211.db2.gz XLZUGACECYOSBR-ZWNOBZJWSA-N -1 0 346.380 2.216 20 5 EEBDRM Cc1c(NC(=O)NCCC(=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000263136485 152383695 /nfs/dbraw/zinc/38/36/95/152383695.db2.gz YYPNHTXJMHOPGB-UHFFFAOYSA-N -1 0 346.137 2.262 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)o1 ZINC000262085968 160437948 /nfs/dbraw/zinc/43/79/48/160437948.db2.gz BXGOQGPDVAHBPD-UHFFFAOYSA-N -1 0 347.327 2.395 20 5 EEBDRM CCOC(=O)c1ccnc(N[C@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000262198064 160444841 /nfs/dbraw/zinc/44/48/41/160444841.db2.gz ZSFBPLCSFHPXBL-SNVBAGLBSA-N -1 0 325.321 2.078 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2O)c([N+](=O)[O-])c1 ZINC000320936125 160536738 /nfs/dbraw/zinc/53/67/38/160536738.db2.gz GOUVFSUJKMMDHB-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000237529711 160222724 /nfs/dbraw/zinc/22/27/24/160222724.db2.gz SCEWKAVHGIQESL-ZUZCIYMTSA-N -1 0 343.339 2.369 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cn2)c([N+](=O)[O-])c1 ZINC000342036353 161034065 /nfs/dbraw/zinc/03/40/65/161034065.db2.gz DEAMFNKRGJIEAB-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM COc1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)on1 ZINC000346435344 161372356 /nfs/dbraw/zinc/37/23/56/161372356.db2.gz CCTPHTQPOVYWKD-UHFFFAOYSA-N -1 0 335.272 2.005 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000352872133 162324041 /nfs/dbraw/zinc/32/40/41/162324041.db2.gz UEJFCMUCTKSZIH-UHFFFAOYSA-N -1 0 342.402 2.457 20 5 EEBDRM CCCCCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000355466911 163200569 /nfs/dbraw/zinc/20/05/69/163200569.db2.gz ALIMXLQLELIDIV-UHFFFAOYSA-N -1 0 330.362 2.070 20 5 EEBDRM C[C@](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)(C(=O)[O-])C1CC1 ZINC000237456361 292579394 /nfs/dbraw/zinc/57/93/94/292579394.db2.gz SIKYSJCZHGFLTR-QGZVFWFLSA-N -1 0 347.371 2.178 20 5 EEBDRM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272659156 269004979 /nfs/dbraw/zinc/00/49/79/269004979.db2.gz HBCLKXWPRVRBRJ-RBSFLKMASA-N -1 0 332.356 2.378 20 5 EEBDRM CO[C@@H](C)c1nc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cs1 ZINC000272657480 269005131 /nfs/dbraw/zinc/00/51/31/269005131.db2.gz GLNHCBJZNAAXEU-QMMMGPOBSA-N -1 0 337.357 2.394 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000272684787 269008789 /nfs/dbraw/zinc/00/87/89/269008789.db2.gz OOLQBYANUKPMCK-CYBMUJFWSA-N -1 0 338.360 2.397 20 5 EEBDRM CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000275018947 269084840 /nfs/dbraw/zinc/08/48/40/269084840.db2.gz OMJABTANUFQHLJ-SNVBAGLBSA-N -1 0 344.389 2.153 20 5 EEBDRM Cc1noc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)n1 ZINC000157620036 273982644 /nfs/dbraw/zinc/98/26/44/273982644.db2.gz IDYABHQJRVZBBN-JTQLQIEISA-N -1 0 332.316 2.012 20 5 EEBDRM CC[C@@H](C)CO[N-]C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000292132933 275381705 /nfs/dbraw/zinc/38/17/05/275381705.db2.gz PWYAFXLCWKKULH-SECBINFHSA-N -1 0 343.767 2.072 20 5 EEBDRM Cc1ocnc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000161991029 311371978 /nfs/dbraw/zinc/37/19/78/311371978.db2.gz YDRQEVDFXDMPHM-UHFFFAOYSA-N -1 0 331.737 2.023 20 5 EEBDRM O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000326753344 311604570 /nfs/dbraw/zinc/60/45/70/311604570.db2.gz MLNXCOHROCLAAW-WOLCWHLNSA-N -1 0 340.335 2.420 20 5 EEBDRM Cc1ccc(N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000416448367 313226181 /nfs/dbraw/zinc/22/61/81/313226181.db2.gz TUSBKCZTRMGUDM-TZMCWYRMSA-N -1 0 335.360 2.025 20 5 EEBDRM CC(C)n1cc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])nn1 ZINC000422070243 314176416 /nfs/dbraw/zinc/17/64/16/314176416.db2.gz JIQRENLEBCAJOE-UHFFFAOYSA-N -1 0 333.348 2.138 20 5 EEBDRM Cn1ccc2c(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cccc2c1=O ZINC000436509737 314969519 /nfs/dbraw/zinc/96/95/19/314969519.db2.gz SHMYGCPQEHSPLV-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM COC(=O)c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1O ZINC000436932611 315014580 /nfs/dbraw/zinc/01/45/80/315014580.db2.gz ONGMAOKABGHOQV-UHFFFAOYSA-N -1 0 332.268 2.045 20 5 EEBDRM Cn1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000436974756 315018540 /nfs/dbraw/zinc/01/85/40/315018540.db2.gz BIZXBJRYJQDDGD-UHFFFAOYSA-N -1 0 330.222 2.305 20 5 EEBDRM O=C(Nc1ccc(N2CCCC2=O)cn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000437001681 315022533 /nfs/dbraw/zinc/02/25/33/315022533.db2.gz WPYGLVGAFHZHTG-UHFFFAOYSA-N -1 0 342.311 2.075 20 5 EEBDRM COc1ccc(CC(=O)N[C@](C)(CC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000560103498 318764310 /nfs/dbraw/zinc/76/43/10/318764310.db2.gz DEFYZPYVMSIRIF-MRXNPFEDSA-N -1 0 338.360 2.152 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnccc2N2CCCC2)cc1 ZINC000563661124 319034844 /nfs/dbraw/zinc/03/48/44/319034844.db2.gz TWDBPAPACZFZFD-UHFFFAOYSA-N -1 0 348.384 2.391 20 5 EEBDRM CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567239446 319362370 /nfs/dbraw/zinc/36/23/70/319362370.db2.gz TVNLEPJWPXJFRN-UHFFFAOYSA-N -1 0 342.373 2.246 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC[C@H]2COc3ccccc3O2)n1 ZINC000567977743 319440586 /nfs/dbraw/zinc/44/05/86/319440586.db2.gz LBWOUGQYBPFBPR-JTQLQIEISA-N -1 0 345.311 2.330 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H](CO)CC1 ZINC000568868472 319525498 /nfs/dbraw/zinc/52/54/98/319525498.db2.gz UWZTZUNAXVYMLQ-VIFPVBQESA-N -1 0 328.752 2.188 20 5 EEBDRM CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569007037 319539024 /nfs/dbraw/zinc/53/90/24/319539024.db2.gz CBXODXXKOKMWLI-KOLCDFICSA-N -1 0 342.373 2.102 20 5 EEBDRM CS(=O)(=O)[C@H]1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000569247808 319560190 /nfs/dbraw/zinc/56/01/90/319560190.db2.gz CPQMZUBEHMWJQA-MNOVXSKESA-N -1 0 342.373 2.061 20 5 EEBDRM C[C@H](NC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000572343178 319836484 /nfs/dbraw/zinc/83/64/84/319836484.db2.gz NFYXEJKUYYHPAO-OIBJUYFYSA-N -1 0 349.265 2.361 20 5 EEBDRM C[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000573255106 319918161 /nfs/dbraw/zinc/91/81/61/319918161.db2.gz LFOQPAWPGBMFDK-VHSXEESVSA-N -1 0 342.373 2.150 20 5 EEBDRM C[C@@H](N1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1)C(F)(F)F ZINC000574758895 320054623 /nfs/dbraw/zinc/05/46/23/320054623.db2.gz CEJHSPLXCCUPSV-SECBINFHSA-N -1 0 347.293 2.366 20 5 EEBDRM COC[C@H](Cc1ccccc1)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574760256 320054984 /nfs/dbraw/zinc/05/49/84/320054984.db2.gz YAWILZVXQOEYCQ-LBPRGKRZSA-N -1 0 331.328 2.358 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000575127408 320088979 /nfs/dbraw/zinc/08/89/79/320088979.db2.gz HDFRAOPVEYGBBP-JTQLQIEISA-N -1 0 331.332 2.104 20 5 EEBDRM CN(C)c1ccccc1CN(C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000577117289 320233422 /nfs/dbraw/zinc/23/34/22/320233422.db2.gz QOAKENLLBVCJDB-UHFFFAOYSA-N -1 0 330.344 2.390 20 5 EEBDRM C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000577219234 320243037 /nfs/dbraw/zinc/24/30/37/320243037.db2.gz XQIJHHBKSPHGDJ-VHSXEESVSA-N -1 0 342.373 2.102 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(c2ccc(F)cn2)CC1 ZINC000339075687 465068468 /nfs/dbraw/zinc/06/84/68/465068468.db2.gz PTTOQBDTXYUMEY-UHFFFAOYSA-N -1 0 332.335 2.157 20 5 EEBDRM CC1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000339148108 465108819 /nfs/dbraw/zinc/10/88/19/465108819.db2.gz LNRCMWHBNJKSDG-QGZVFWFLSA-N -1 0 336.388 2.460 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000351620424 465255182 /nfs/dbraw/zinc/25/51/82/465255182.db2.gz NCBJHJIUPSHLAE-UHFFFAOYSA-N -1 0 342.402 2.426 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000128205442 462618480 /nfs/dbraw/zinc/61/84/80/462618480.db2.gz XPEMQSZSHNGNCM-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)OCc2ccccc23)n1 ZINC000579112761 468312128 /nfs/dbraw/zinc/31/21/28/468312128.db2.gz KLWFENCFQMUMHF-KRWDZBQOSA-N -1 0 341.323 2.324 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1OC ZINC000017298912 462997766 /nfs/dbraw/zinc/99/77/66/462997766.db2.gz HRDZTZJEHVMJOJ-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2F)ccc1[O-] ZINC000024101104 463078222 /nfs/dbraw/zinc/07/82/22/463078222.db2.gz JHJBBZFLQZAYPQ-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM CC(=O)c1cccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000036318614 463436280 /nfs/dbraw/zinc/43/62/80/463436280.db2.gz ISCDLTNTPGMIDQ-UHFFFAOYSA-N -1 0 336.325 2.304 20 5 EEBDRM CC(C)c1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000040945790 463465517 /nfs/dbraw/zinc/46/55/17/463465517.db2.gz KYBHHPCWTBCQKG-UHFFFAOYSA-N -1 0 328.375 2.371 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000083955449 463568652 /nfs/dbraw/zinc/56/86/52/463568652.db2.gz OLWFKQLNIOYHNK-UHFFFAOYSA-N -1 0 340.386 2.433 20 5 EEBDRM C[C@@]1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCS1 ZINC000126191403 463615206 /nfs/dbraw/zinc/61/52/06/463615206.db2.gz UBGDFQVBHNNREW-LBPRGKRZSA-N -1 0 334.394 2.298 20 5 EEBDRM CNC(=O)c1ccc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255320341 463716725 /nfs/dbraw/zinc/71/67/25/463716725.db2.gz CJZMSWKIQAXCEP-WTKPLQERSA-N -1 0 341.323 2.312 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000276889746 463795790 /nfs/dbraw/zinc/79/57/90/463795790.db2.gz MTUBBQQXSCAIGT-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccnc1 ZINC000194160945 463805362 /nfs/dbraw/zinc/80/53/62/463805362.db2.gz ZVAQNZAPVFFIPM-SECBINFHSA-N -1 0 325.321 2.168 20 5 EEBDRM COc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000261686454 463828090 /nfs/dbraw/zinc/82/80/90/463828090.db2.gz NESABOVLLIAIQQ-LLVKDONJSA-N -1 0 336.344 2.320 20 5 EEBDRM COCCN(Cc1ccco1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262209662 463972482 /nfs/dbraw/zinc/97/24/82/463972482.db2.gz KUIURRNUFIQSMB-UHFFFAOYSA-N -1 0 348.311 2.175 20 5 EEBDRM Cc1cc([C@H]2CCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000283695297 463975598 /nfs/dbraw/zinc/97/55/98/463975598.db2.gz XMOWSHWZMHOEJF-NSHDSACASA-N -1 0 330.344 2.352 20 5 EEBDRM CCCC[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000262269485 463987297 /nfs/dbraw/zinc/98/72/97/463987297.db2.gz IDDJCQTZYWFFCN-ZDUSSCGKSA-N -1 0 347.327 2.222 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262398153 464018692 /nfs/dbraw/zinc/01/86/92/464018692.db2.gz UHQHXHJJJYFSTL-JTQLQIEISA-N -1 0 326.374 2.399 20 5 EEBDRM C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000263492174 464115819 /nfs/dbraw/zinc/11/58/19/464115819.db2.gz XAOXWTRDCJQWFF-BQBZGAKWSA-N -1 0 345.149 2.196 20 5 EEBDRM COc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc([N+](=O)[O-])c1C ZINC000263526200 464124531 /nfs/dbraw/zinc/12/45/31/464124531.db2.gz JYJMANDYSPWYTR-SECBINFHSA-N -1 0 336.344 2.237 20 5 EEBDRM CC1(C)C[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000263538032 464125512 /nfs/dbraw/zinc/12/55/12/464125512.db2.gz PLISSUKAXGVAMG-GFCCVEGCSA-N -1 0 336.344 2.369 20 5 EEBDRM CN(CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000237098410 464264836 /nfs/dbraw/zinc/26/48/36/464264836.db2.gz YTNYATVDDMEQTL-UHFFFAOYSA-N -1 0 329.312 2.368 20 5 EEBDRM CCOC1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000292679706 464307105 /nfs/dbraw/zinc/30/71/05/464307105.db2.gz BSJIECBPPNNTGB-UHFFFAOYSA-N -1 0 346.380 2.362 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nc(C)n1 ZINC000180762769 464388812 /nfs/dbraw/zinc/38/88/12/464388812.db2.gz QBTHQLWOHFHBED-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000238050748 464425439 /nfs/dbraw/zinc/42/54/39/464425439.db2.gz ZHHYIQRTUCZRDD-CYBMUJFWSA-N -1 0 333.344 2.248 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nncn2c1 ZINC000181079667 464442669 /nfs/dbraw/zinc/44/26/69/464442669.db2.gz LPYPYPDDOGGKPN-UHFFFAOYSA-N -1 0 347.356 2.001 20 5 EEBDRM Cc1nc(C2(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)CCCC2)no1 ZINC000183462354 464868351 /nfs/dbraw/zinc/86/83/51/464868351.db2.gz GEHNEBGWOZFFMV-UHFFFAOYSA-N -1 0 332.316 2.191 20 5 EEBDRM O=C(N=c1nc(-c2cccnc2)[n-]s1)c1ccc([N+](=O)[O-])cc1 ZINC000339599644 465376284 /nfs/dbraw/zinc/37/62/84/465376284.db2.gz UELHHLRRMNYECF-UHFFFAOYSA-N -1 0 327.325 2.183 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)c([N+](=O)[O-])n1 ZINC000339688001 465443617 /nfs/dbraw/zinc/44/36/17/465443617.db2.gz NGCRNQYIGWDFGU-UHFFFAOYSA-N -1 0 349.372 2.402 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000357033900 465717166 /nfs/dbraw/zinc/71/71/66/465717166.db2.gz TXWJKMFSRCRBHE-AWEZNQCLSA-N -1 0 344.323 2.029 20 5 EEBDRM Cc1cn2c(n1)[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)CCC2 ZINC000371828730 466021647 /nfs/dbraw/zinc/02/16/47/466021647.db2.gz LPLVGDHFHIECKK-GFCCVEGCSA-N -1 0 330.344 2.113 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000340549194 466165632 /nfs/dbraw/zinc/16/56/32/466165632.db2.gz IFJROEHEHYXPNA-UHFFFAOYSA-N -1 0 343.339 2.389 20 5 EEBDRM O=C([O-])c1cnc(NCc2ccc(OCC3CC3)nc2)c([N+](=O)[O-])c1 ZINC000569366934 468481615 /nfs/dbraw/zinc/48/16/15/468481615.db2.gz QNOFABOKIPXUIZ-UHFFFAOYSA-N -1 0 344.327 2.484 20 5 EEBDRM Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000361987824 466462209 /nfs/dbraw/zinc/46/22/09/466462209.db2.gz UMQKYPUYYCLBJF-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM CCC[C@](C)(NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000319731215 466598847 /nfs/dbraw/zinc/59/88/47/466598847.db2.gz WSNHUGHFKVTEJO-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM CCCCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000322530548 466632630 /nfs/dbraw/zinc/63/26/30/466632630.db2.gz MCZMXYFEQCFSQL-UHFFFAOYSA-N -1 0 342.373 2.246 20 5 EEBDRM O=C([O-])CCC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000324317376 466645938 /nfs/dbraw/zinc/64/59/38/466645938.db2.gz GJPBJVVEWZYTJJ-UHFFFAOYSA-N -1 0 336.344 2.077 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000398933320 467451695 /nfs/dbraw/zinc/45/16/95/467451695.db2.gz TWXCUIUKTBFVKS-BDAKNGLRSA-N -1 0 325.296 2.308 20 5 EEBDRM C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)[O-] ZINC000431508869 467521747 /nfs/dbraw/zinc/52/17/47/467521747.db2.gz SHZMPKLMXKPTSX-SSDOTTSWSA-N -1 0 346.289 2.162 20 5 EEBDRM CN(CCCC(=O)OC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436776237 467554373 /nfs/dbraw/zinc/55/43/73/467554373.db2.gz HYPBLXKUXNCMNU-UHFFFAOYSA-N -1 0 338.360 2.494 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000567978035 468248562 /nfs/dbraw/zinc/24/85/62/468248562.db2.gz URABOIFRQJXUEE-GFCCVEGCSA-N -1 0 331.328 2.266 20 5 EEBDRM CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000520575565 468259470 /nfs/dbraw/zinc/25/94/70/468259470.db2.gz USPPFJNGJTWQBC-RKDXNWHRSA-N -1 0 330.362 2.006 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592214501 468657642 /nfs/dbraw/zinc/65/76/42/468657642.db2.gz BSWPJRFUXWPSGR-QWHCGFSZSA-N -1 0 335.360 2.032 20 5 EEBDRM CC[C@@H](C)C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000570572620 468659256 /nfs/dbraw/zinc/65/92/56/468659256.db2.gz BZOFNQHGMDQGEW-DGCLKSJQSA-N -1 0 337.376 2.402 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2cc(C(=O)OC)sc2C)c1[N+](=O)[O-] ZINC000597757556 468660850 /nfs/dbraw/zinc/66/08/50/468660850.db2.gz NNJNYVVTNQGVMY-UHFFFAOYSA-N -1 0 338.345 2.289 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000600800488 468661041 /nfs/dbraw/zinc/66/10/41/468661041.db2.gz MEBWPTGCPPCETR-AAEUAGOBSA-N -1 0 349.387 2.280 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CCC(C)(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000592418917 468693798 /nfs/dbraw/zinc/69/37/98/468693798.db2.gz DQJJISDZFBVBSK-UHFFFAOYSA-N -1 0 349.387 2.424 20 5 EEBDRM CC[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C(=O)[O-] ZINC000592420900 468694732 /nfs/dbraw/zinc/69/47/32/468694732.db2.gz NJWCPDHYIYEOAX-LBPRGKRZSA-N -1 0 331.328 2.844 20 5 EEBDRM O=C([O-])c1c(-c2cc([N+](=O)[O-])ccc2CCO)nc2n1CCCC2 ZINC000594874495 468714671 /nfs/dbraw/zinc/71/46/71/468714671.db2.gz TUGDTMXQJKAQKZ-UHFFFAOYSA-N -1 0 331.328 2.028 20 5 EEBDRM Cc1nc(C(C)(C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC000592758254 468776919 /nfs/dbraw/zinc/77/69/19/468776919.db2.gz BIGQHMQIYQKGNP-UHFFFAOYSA-N -1 0 340.723 2.310 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000595246309 468791863 /nfs/dbraw/zinc/79/18/63/468791863.db2.gz ZBVAPFNPRMUUNV-FRRDWIJNSA-N -1 0 335.360 2.039 20 5 EEBDRM COc1ccc(OCCN(C)c2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000592967154 468830007 /nfs/dbraw/zinc/83/00/07/468830007.db2.gz WEBMDZCHKFNOSD-UHFFFAOYSA-N -1 0 347.327 2.212 20 5 EEBDRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000562737953 469057213 /nfs/dbraw/zinc/05/72/13/469057213.db2.gz VBBFXLLPBNLQSU-LLVKDONJSA-N -1 0 344.389 2.085 20 5 EEBDRM C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C(=O)[O-])O1 ZINC000593753888 469124601 /nfs/dbraw/zinc/12/46/01/469124601.db2.gz BCXRYDCKEJCVEP-PRHODGIISA-N -1 0 348.277 2.288 20 5 EEBDRM CCN(C[C@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1)CC(F)(F)F ZINC000596148924 469175542 /nfs/dbraw/zinc/17/55/42/469175542.db2.gz IDRZSPKMJSEVCS-SNVBAGLBSA-N -1 0 348.325 2.406 20 5 EEBDRM Cc1noc([C@@H](C)N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000573741146 469197018 /nfs/dbraw/zinc/19/70/18/469197018.db2.gz KOSTUNMEESMPBY-ZCFIWIBFSA-N -1 0 340.723 2.478 20 5 EEBDRM O=c1[n-]nc([C@@H]2CCCN(c3c(Cl)cncc3[N+](=O)[O-])C2)o1 ZINC000596224895 469211492 /nfs/dbraw/zinc/21/14/92/469211492.db2.gz JZHKYKDSBYZMKJ-SSDOTTSWSA-N -1 0 325.712 2.116 20 5 EEBDRM O=C([O-])C[C@H]1CCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000611526105 469272400 /nfs/dbraw/zinc/27/24/00/469272400.db2.gz GLHCNLGAIUZCCH-CYBMUJFWSA-N -1 0 345.355 2.405 20 5 EEBDRM Cc1nn(C)c2ncc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc12 ZINC000612423415 469461415 /nfs/dbraw/zinc/46/14/15/469461415.db2.gz YGGKLQGJGYFOCS-UHFFFAOYSA-N -1 0 327.300 2.143 20 5 EEBDRM CC(C)Oc1ncccc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000604490774 469483599 /nfs/dbraw/zinc/48/35/99/469483599.db2.gz PTZDNZPIIPUAJV-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM CCCC[C@@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC000598584384 485618919 /nfs/dbraw/zinc/61/89/19/485618919.db2.gz LCVAEGPBUJAJSR-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCO[C@@H](Cc2ccccc2)C1 ZINC000181251518 534740161 /nfs/dbraw/zinc/74/01/61/534740161.db2.gz YPCUJBZGLPLVOD-AWEZNQCLSA-N -1 0 342.351 2.384 20 5 EEBDRM CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164471812 527935386 /nfs/dbraw/zinc/93/53/86/527935386.db2.gz DLSGEFUBDNBJKN-GFCCVEGCSA-N -1 0 349.387 2.069 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@@H]2Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738370062 578011238 /nfs/dbraw/zinc/01/12/38/578011238.db2.gz OCWZFOKPBZMKNE-LBPRGKRZSA-N -1 0 329.316 2.276 20 5 EEBDRM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773539143 577348913 /nfs/dbraw/zinc/34/89/13/577348913.db2.gz XHPWUGYQINKOKL-WXHSDQCUSA-N -1 0 340.426 2.410 20 5 EEBDRM CSc1cccc(C(=O)[N-]S(=O)(=O)C2CCCC2)c1[N+](=O)[O-] ZINC000777337558 577476912 /nfs/dbraw/zinc/47/69/12/577476912.db2.gz MQUZAGFDNJXWNT-UHFFFAOYSA-N -1 0 344.414 2.319 20 5 EEBDRM COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1[N+](=O)[O-] ZINC000768971644 577566790 /nfs/dbraw/zinc/56/67/90/577566790.db2.gz XUKJRMIRMOMOTG-UHFFFAOYSA-N -1 0 347.283 2.147 20 5 EEBDRM O=C(Nc1cnn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000770533553 577598297 /nfs/dbraw/zinc/59/82/97/577598297.db2.gz IFGXNXVFTUKDOC-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1[nH]nc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1Br ZINC000770861458 577604989 /nfs/dbraw/zinc/60/49/89/577604989.db2.gz IYUQQRKBYHSSFQ-UHFFFAOYSA-N -1 0 341.121 2.347 20 5 EEBDRM Nc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1[N+](=O)[O-] ZINC000757926536 577866647 /nfs/dbraw/zinc/86/66/47/577866647.db2.gz SQJLQJSCMZCCLH-UHFFFAOYSA-N -1 0 328.737 2.026 20 5 EEBDRM O=C(COC(=O)c1ccc([N+](=O)[O-])[n-]1)N1CCCc2ccccc21 ZINC000749341737 577974839 /nfs/dbraw/zinc/97/48/39/577974839.db2.gz FJVHLZFSYGWNNY-UHFFFAOYSA-N -1 0 329.312 2.059 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc([N+](=O)[O-])c1 ZINC000738670613 578023399 /nfs/dbraw/zinc/02/33/99/578023399.db2.gz YGVCGJZHTXUDQY-SNVBAGLBSA-N -1 0 344.327 2.036 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@H]2COc3ccccc3C2)c1[N+](=O)[O-] ZINC000738691692 578023936 /nfs/dbraw/zinc/02/39/36/578023936.db2.gz BPZXZTSDDJWJAH-SNVBAGLBSA-N -1 0 329.312 2.351 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cc(F)ccc1F ZINC000739367661 578050621 /nfs/dbraw/zinc/05/06/21/578050621.db2.gz IKRPGHHPEKZBOG-LLVKDONJSA-N -1 0 342.279 2.490 20 5 EEBDRM O=C([O-])Nc1cccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000740030263 578078023 /nfs/dbraw/zinc/07/80/23/578078023.db2.gz HSTAVIBEMNITQE-UHFFFAOYSA-N -1 0 345.311 2.494 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2cn(-c3ccccc3)nn2)c1 ZINC000740186677 578084634 /nfs/dbraw/zinc/08/46/34/578084634.db2.gz NSAPSCQRXJHSPP-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM C[C@H](CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000736561324 578211390 /nfs/dbraw/zinc/21/13/90/578211390.db2.gz BNGWMSWUHBWLLC-SNVBAGLBSA-N -1 0 338.385 2.399 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000736852418 578227021 /nfs/dbraw/zinc/22/70/21/578227021.db2.gz XSBGQVVMPHLPQG-GFCCVEGCSA-N -1 0 331.328 2.443 20 5 EEBDRM CC[C@H](C)[C@](C)(O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736869339 578227597 /nfs/dbraw/zinc/22/75/97/578227597.db2.gz DMHVKAXUDYPMJP-RMLUDKJBSA-N -1 0 341.320 2.410 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000821515601 598208104 /nfs/dbraw/zinc/20/81/04/598208104.db2.gz JURNOFQHZPMHRP-JTQLQIEISA-N -1 0 342.298 2.400 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000833115441 601101689 /nfs/dbraw/zinc/10/16/89/601101689.db2.gz QHUJPEGQVXJECF-HNNXBMFYSA-N -1 0 349.270 2.482 20 5 EEBDRM CCOC(=O)c1cc(NC2CCN(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000829878339 601261829 /nfs/dbraw/zinc/26/18/29/601261829.db2.gz UOTKFUZHMWTUAR-UHFFFAOYSA-N -1 0 337.332 2.326 20 5 EEBDRM O=C([O-])CCCNC(=S)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000833227762 601618211 /nfs/dbraw/zinc/61/82/11/601618211.db2.gz MMECTJHSKHZKFV-UHFFFAOYSA-N -1 0 331.781 2.077 20 5 EEBDRM CCCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000829326693 601641400 /nfs/dbraw/zinc/64/14/00/601641400.db2.gz OPNKHXYDKMRFIP-GFCCVEGCSA-N -1 0 339.304 2.266 20 5 EEBDRM NC(=O)[C@@H]1CCCC[C@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000833078776 602239690 /nfs/dbraw/zinc/23/96/90/602239690.db2.gz AIRPDJGABSXKGH-WAIVJAFWSA-N -1 0 333.344 2.149 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@@H](O)COCC2CC2)cc1Cl ZINC000833307492 602254159 /nfs/dbraw/zinc/25/41/59/602254159.db2.gz OUVCAVSJFNYQSH-SECBINFHSA-N -1 0 344.751 2.146 20 5 EEBDRM CC(=O)c1ccc(N(CCC(=O)[O-])C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000825951271 604348553 /nfs/dbraw/zinc/34/85/53/604348553.db2.gz DNAJQGUVCXRIQM-CYBMUJFWSA-N -1 0 336.344 2.258 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@H](C(=O)[O-])c2cccs2)c1[N+](=O)[O-] ZINC000827097622 604880938 /nfs/dbraw/zinc/88/09/38/604880938.db2.gz UEZRBUIFGTWNLC-VIFPVBQESA-N -1 0 338.345 2.059 20 5 EEBDRM CC(C)(C)OC(=O)NCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833442332 605140091 /nfs/dbraw/zinc/14/00/91/605140091.db2.gz FGSGVYGPDLAMOX-UHFFFAOYSA-N -1 0 326.305 2.197 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000120037282 683584261 /nfs/dbraw/zinc/58/42/61/683584261.db2.gz CNEQWFPIUPWAMZ-UHFFFAOYSA-N -1 0 334.404 2.261 20 5 EEBDRM N=C(Nc1cc([N+](=O)[O-])ccc1Cl)SCCS(=O)(=O)[O-] ZINC001168090815 1186605599 /nfs/dbraw/zinc/60/55/99/1186605599.db2.gz PKVZTOTWONFXQK-UHFFFAOYSA-N -1 0 339.782 2.216 20 5 EEBDRM COC(=O)C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000843819607 1188633531 /nfs/dbraw/zinc/63/35/31/1188633531.db2.gz XUXCJLOUFDKJSK-JTQLQIEISA-N -1 0 342.735 2.025 20 5 EEBDRM COCCc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2Br)[n-]1 ZINC000871959642 1197991836 /nfs/dbraw/zinc/99/18/36/1197991836.db2.gz ONPDPRXFLHZVFL-UHFFFAOYSA-N -1 0 342.149 2.487 20 5 EEBDRM COc1cc(N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000866284166 1201483559 /nfs/dbraw/zinc/48/35/59/1201483559.db2.gz LJFFEYYCSXJHLD-ZDUSSCGKSA-N -1 0 347.293 2.251 20 5 EEBDRM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1[O-] ZINC000130331686 1201963316 /nfs/dbraw/zinc/96/33/16/1201963316.db2.gz BPHZTSDBBMQBSO-UHFFFAOYSA-N -1 0 346.299 2.051 20 5 EEBDRM CC(C)c1nnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000120038065 1229658351 /nfs/dbraw/zinc/65/83/51/1229658351.db2.gz ZQPBGXGXBRHSHH-UHFFFAOYSA-N -1 0 334.404 2.432 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@]1(C2CCCC2)CCNC1=O ZINC000860023715 1294760037 /nfs/dbraw/zinc/76/00/37/1294760037.db2.gz LRCXECBPESFPSV-KRWDZBQOSA-N -1 0 348.355 2.040 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(OC2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC001226021004 1301235923 /nfs/dbraw/zinc/23/59/23/1301235923.db2.gz NNOBPPRCCQWCET-IUCAKERBSA-N -1 0 339.348 2.471 20 5 EEBDRM CC[C@H]1OC(=O)C(Oc2cc([O-])c(C(=O)OC)cc2[N+](=O)[O-])=C1C ZINC001228808724 1302457634 /nfs/dbraw/zinc/45/76/34/1302457634.db2.gz DBKITTBLAFTGSL-LLVKDONJSA-N -1 0 337.284 2.075 20 5 EEBDRM O=[N+]([O-])c1c([O-])cc(O)cc1OC[C@@H]1COc2cscc2O1 ZINC001228972606 1302553707 /nfs/dbraw/zinc/55/37/07/1302553707.db2.gz AJNOVNHBUIFWKZ-MRVPVSSYSA-N -1 0 325.298 2.286 20 5 EEBDRM Cc1cn2c(n1)[C@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])CCC2 ZINC001231076120 1303614075 /nfs/dbraw/zinc/61/40/75/1303614075.db2.gz KVXNCASIXXOFJA-SSDOTTSWSA-N -1 0 325.712 2.163 20 5 EEBDRM O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780677120 1303684669 /nfs/dbraw/zinc/68/46/69/1303684669.db2.gz UMPRERBMRBXRSW-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM CCC[C@@H](CC(=O)OC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231223869 1303689419 /nfs/dbraw/zinc/68/94/19/1303689419.db2.gz KOJDOGXCSQZYIA-QMMMGPOBSA-N -1 0 328.277 2.319 20 5 EEBDRM Cc1cc(N[C@H]2SC(=O)[N-]C2=O)c([N+](=O)[O-])cc1Br ZINC001163674666 1321189452 /nfs/dbraw/zinc/18/94/52/1321189452.db2.gz QLQBYAIQVPTLQX-VIFPVBQESA-N -1 0 346.162 2.387 20 5 EEBDRM O=C([O-])[C@H](CC1CC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001608532982 1351711203 /nfs/dbraw/zinc/71/12/03/1351711203.db2.gz BQHMUWBTFWZZDE-NSHDSACASA-N -1 0 328.271 2.056 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cnccn1 ZINC001309773933 1331641820 /nfs/dbraw/zinc/64/18/20/1331641820.db2.gz VALQFIUXFMXJCC-QMMMGPOBSA-N -1 0 342.764 2.078 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1c(F)cccc1F ZINC001309876771 1331645932 /nfs/dbraw/zinc/64/59/32/1331645932.db2.gz LNGXCGAEYFBEGH-MRVPVSSYSA-N -1 0 343.311 2.308 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001608665849 1351737142 /nfs/dbraw/zinc/73/71/42/1351737142.db2.gz PIYBHDBNAMHSTD-JTQLQIEISA-N -1 0 342.298 2.304 20 5 EEBDRM O=C([O-])c1cc(F)cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC001608849183 1351778037 /nfs/dbraw/zinc/77/80/37/1351778037.db2.gz ROORYWDKFPMPGL-UHFFFAOYSA-N -1 0 348.286 2.241 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cncc3[nH]ccc32)cc([N+](=O)[O-])c1 ZINC001608856447 1351779971 /nfs/dbraw/zinc/77/99/71/1351779971.db2.gz ZPJKYEQJXDIPLF-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2c[nH]nc2[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001608856017 1351780047 /nfs/dbraw/zinc/78/00/47/1351780047.db2.gz MKYXMMOUISVTLA-GFCCVEGCSA-N -1 0 346.299 2.120 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC12CCCC2 ZINC001608863396 1351780788 /nfs/dbraw/zinc/78/07/88/1351780788.db2.gz BBDXJWDJHYYFOX-UHFFFAOYSA-N -1 0 340.357 2.000 20 5 EEBDRM O=C([O-])c1cccc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001608928339 1351796582 /nfs/dbraw/zinc/79/65/82/1351796582.db2.gz FZXOSUQBSOUNTE-UHFFFAOYSA-N -1 0 329.264 2.333 20 5 EEBDRM O=C([O-])c1cccc(OC[C@H]2CC3(CO2)CCOCC3)c1[N+](=O)[O-] ZINC001608936787 1351798443 /nfs/dbraw/zinc/79/84/43/1351798443.db2.gz LIQBHPTUUWXTEV-LLVKDONJSA-N -1 0 337.328 2.258 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C2(C(C)(F)F)CC2)ccc1[N+](=O)[O-] ZINC001329808112 1334718257 /nfs/dbraw/zinc/71/82/57/1334718257.db2.gz VHLZXECDAXBQQG-UHFFFAOYSA-N -1 0 348.327 2.144 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001609549788 1352013871 /nfs/dbraw/zinc/01/38/71/1352013871.db2.gz WMUQVRRYNSQVPO-BPOWMSRESA-N -1 0 328.271 2.223 20 5 EEBDRM CC(=O)N1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001609599040 1352029723 /nfs/dbraw/zinc/02/97/23/1352029723.db2.gz FXATZABIXDSEBH-LBPRGKRZSA-N -1 0 335.360 2.272 20 5 EEBDRM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2ccn(C)n2)cc1[N+](=O)[O-] ZINC001609719739 1352067590 /nfs/dbraw/zinc/06/75/90/1352067590.db2.gz OWTNHPJZRBXKCM-HNNXBMFYSA-N -1 0 332.360 2.367 20 5 EEBDRM C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)C(C)(C)C(=O)[O-] ZINC001609797695 1352087608 /nfs/dbraw/zinc/08/76/08/1352087608.db2.gz HQJNWIKFXRXDRJ-SSDOTTSWSA-N -1 0 343.719 2.473 20 5 EEBDRM CC1(F)CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC001609826344 1352094946 /nfs/dbraw/zinc/09/49/46/1352094946.db2.gz YIBRIFYQUQXWQD-UHFFFAOYSA-N -1 0 342.348 2.346 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001609833159 1352096672 /nfs/dbraw/zinc/09/66/72/1352096672.db2.gz IXKNIHPYRDMRAV-VXNVDRBHSA-N -1 0 344.726 2.251 20 5 EEBDRM COc1cc(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])ccc1O ZINC001610293523 1352200952 /nfs/dbraw/zinc/20/09/52/1352200952.db2.gz CXPRBZZVHVXWFT-UHFFFAOYSA-N -1 0 333.300 2.057 20 5 EEBDRM Cc1c(NC(=S)NCC(F)(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610424575 1352220557 /nfs/dbraw/zinc/22/05/57/1352220557.db2.gz ADVMFAUKSCHPEK-UHFFFAOYSA-N -1 0 337.279 2.450 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2nnc(C3CCC3)n2C)n1 ZINC001610439724 1352222607 /nfs/dbraw/zinc/22/26/07/1352222607.db2.gz CEEGYLUNCIEQPJ-UHFFFAOYSA-N -1 0 346.347 2.005 20 5 EEBDRM Cc1ccc(C[C@@H](Sc2ncc([N+](=O)[O-])c(N)n2)C(=O)[O-])cc1 ZINC001610499741 1352233879 /nfs/dbraw/zinc/23/38/79/1352233879.db2.gz NFPKXTPQHPISEE-LLVKDONJSA-N -1 0 334.357 2.063 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001610559650 1352245014 /nfs/dbraw/zinc/24/50/14/1352245014.db2.gz POJGLCSSPCSYTH-UHFFFAOYSA-N -1 0 339.348 2.067 20 5 EEBDRM Cn1c(C(=O)OC[C@@](C)(C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001610597944 1352251637 /nfs/dbraw/zinc/25/16/37/1352251637.db2.gz SJGOGUMQGPAAHD-MRXNPFEDSA-N -1 0 332.312 2.133 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@@H]2c3ccccc3C[C@H]2O)c([N+](=O)[O-])c1 ZINC001610792417 1352275433 /nfs/dbraw/zinc/27/54/33/1352275433.db2.gz HREKZDQCOCSABY-NVXWUHKLSA-N -1 0 328.324 2.292 20 5 EEBDRM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1Cc1ccc([N+](=O)[O-])cc1F ZINC001594339892 1349875393 /nfs/dbraw/zinc/87/53/93/1349875393.db2.gz LIDOSGMASIGMEY-GBALPHGKSA-N -1 0 338.335 2.329 20 5 EEBDRM Cc1c(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)ccc(F)c1C(=O)[O-] ZINC001600031120 1349957950 /nfs/dbraw/zinc/95/79/50/1349957950.db2.gz QOZHUXMXUZCRCO-CQSZACIVSA-N -1 0 348.286 2.413 20 5 EEBDRM Cc1c(NC(=O)N2CCOCC3(CC3)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600038154 1349959807 /nfs/dbraw/zinc/95/98/07/1349959807.db2.gz ZBEXMYQVWOKVMZ-UHFFFAOYSA-N -1 0 349.343 2.246 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)c2nnc3ccccn32)n1 ZINC001600105450 1349972202 /nfs/dbraw/zinc/97/22/02/1349972202.db2.gz ULBLNAPFOCRZTJ-SECBINFHSA-N -1 0 342.315 2.212 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)OCC(=O)C2(C(=O)[O-])CC2)cc1Cl ZINC001600302093 1350015332 /nfs/dbraw/zinc/01/53/32/1350015332.db2.gz CLHJQSCXJCWNAB-UHFFFAOYSA-N -1 0 341.703 2.147 20 5 EEBDRM Cc1ccccc1OC[C@@H](O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001600585949 1350090426 /nfs/dbraw/zinc/09/04/26/1350090426.db2.gz RDCVDFMJWITUAH-LBPRGKRZSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001600748483 1350127307 /nfs/dbraw/zinc/12/73/07/1350127307.db2.gz TXBDSRKGSJSCIB-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1sc(C)c(C(=O)[O-])c1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001600877703 1350158111 /nfs/dbraw/zinc/15/81/11/1350158111.db2.gz ZITUWXHGRQEJHW-UHFFFAOYSA-N -1 0 336.329 2.201 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)n1 ZINC001600969784 1350179245 /nfs/dbraw/zinc/17/92/45/1350179245.db2.gz SLSRQMWVNAMUDQ-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM Nc1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC001601216572 1350233527 /nfs/dbraw/zinc/23/35/27/1350233527.db2.gz HTZOOWOTLMZRLZ-GFCCVEGCSA-N -1 0 336.348 2.332 20 5 EEBDRM Nc1ccc(N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)nc1[N+](=O)[O-] ZINC001601216011 1350233646 /nfs/dbraw/zinc/23/36/46/1350233646.db2.gz VCKIQLOXAVLDHB-QMMMGPOBSA-N -1 0 349.372 2.111 20 5 EEBDRM O=C([O-])c1cc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)ccn1 ZINC001601239719 1350239283 /nfs/dbraw/zinc/23/92/83/1350239283.db2.gz CMOISLUPKKCGQL-UTCJRWHESA-N -1 0 327.296 2.018 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CCC(=O)c2ccccn2)cc([N+](=O)[O-])c1 ZINC001601262554 1350244154 /nfs/dbraw/zinc/24/41/54/1350244154.db2.gz QFVIUSCFHYZPAC-UHFFFAOYSA-N -1 0 343.295 2.290 20 5 EEBDRM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001601370362 1350268898 /nfs/dbraw/zinc/26/88/98/1350268898.db2.gz YTNWWXNSGXWCEP-AWEZNQCLSA-N -1 0 346.314 2.089 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CCC[C@@H]2OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001601384849 1350271485 /nfs/dbraw/zinc/27/14/85/1350271485.db2.gz WCPMSRPBHGKZBI-AWEZNQCLSA-N -1 0 345.311 2.110 20 5 EEBDRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001601409236 1350277858 /nfs/dbraw/zinc/27/78/58/1350277858.db2.gz PTQMMVXRAHMONZ-GXSJLCMTSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001601527677 1350300714 /nfs/dbraw/zinc/30/07/14/1350300714.db2.gz IPKKQBCZNPCQGX-HTRCEHHLSA-N -1 0 347.249 2.456 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC001601576079 1350310887 /nfs/dbraw/zinc/31/08/87/1350310887.db2.gz KGABFWMTLSLLHL-MKHNBGRSSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001601773834 1350361511 /nfs/dbraw/zinc/36/15/11/1350361511.db2.gz VNFHRFWQOJQABX-YGRLFVJLSA-N -1 0 348.380 2.343 20 5 EEBDRM O=C([O-])CC1(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001601925543 1350398548 /nfs/dbraw/zinc/39/85/48/1350398548.db2.gz UHWCEGCUSITHOT-UHFFFAOYSA-N -1 0 348.355 2.461 20 5 EEBDRM O=C([O-])CCN(C[C@@H]1CCCO1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC001602006336 1350416875 /nfs/dbraw/zinc/41/68/75/1350416875.db2.gz RYGQQMTVOXPLSX-JTQLQIEISA-N -1 0 329.740 2.103 20 5 EEBDRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001602104444 1350438883 /nfs/dbraw/zinc/43/88/83/1350438883.db2.gz VVBVANSYWVSKJK-LLVKDONJSA-N -1 0 334.353 2.472 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC001602173349 1350457395 /nfs/dbraw/zinc/45/73/95/1350457395.db2.gz XEIKBXQNBIUSTD-UONOGXRCSA-N -1 0 332.356 2.371 20 5 EEBDRM O=C([O-])[C@@H]1OCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001602201206 1350463865 /nfs/dbraw/zinc/46/38/65/1350463865.db2.gz OHQVFVVQTNVHTC-RDDDGLTNSA-N -1 0 332.259 2.098 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC001602245565 1350475558 /nfs/dbraw/zinc/47/55/58/1350475558.db2.gz XGCOZUQOSKBWNA-CYBMUJFWSA-N -1 0 349.324 2.169 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(C[C@@H]2CC3(CO2)CCCCC3)c1 ZINC001602298785 1350488094 /nfs/dbraw/zinc/48/80/94/1350488094.db2.gz FRAXHTTXOMQVMB-LBPRGKRZSA-N -1 0 336.344 2.194 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2nccc3cccnc32)cc1[N+](=O)[O-] ZINC001602387259 1350508345 /nfs/dbraw/zinc/50/83/45/1350508345.db2.gz XGZGPZWWWNLRBK-UHFFFAOYSA-N -1 0 339.263 2.455 20 5 EEBDRM O=C([O-])[C@]1(O)CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC001602624192 1350560466 /nfs/dbraw/zinc/56/04/66/1350560466.db2.gz UCONXDWSFBWBCO-IBGZPJMESA-N -1 0 336.347 2.050 20 5 EEBDRM O=Cc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F ZINC001602664941 1350568699 /nfs/dbraw/zinc/56/86/99/1350568699.db2.gz ZJXZAJMDBYNPEY-UHFFFAOYSA-N -1 0 332.243 2.497 20 5 EEBDRM CC(C)(C)CC[C@H](Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001603071328 1350632470 /nfs/dbraw/zinc/63/24/70/1350632470.db2.gz KNRPDBFQDZXHEQ-NSHDSACASA-N -1 0 348.363 2.466 20 5 EEBDRM C[C@H](CNC(=O)NCc1cc(C(=O)[O-])co1)c1ccccc1[N+](=O)[O-] ZINC001604178271 1350885110 /nfs/dbraw/zinc/88/51/10/1350885110.db2.gz XPNFPGLCYCFRAS-SNVBAGLBSA-N -1 0 347.327 2.489 20 5 EEBDRM C[C@H](O)c1ncc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001604389614 1350928193 /nfs/dbraw/zinc/92/81/93/1350928193.db2.gz XPKLCTSZLSNODO-LURJTMIESA-N -1 0 337.313 2.055 20 5 EEBDRM C[C@]12COC[C@H]1CN(c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC001604606931 1350968896 /nfs/dbraw/zinc/96/88/96/1350968896.db2.gz VJJBNRBDQKFQLL-CLAHSXSESA-N -1 0 326.736 2.419 20 5 EEBDRM C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC[S@@](=O)C1 ZINC001604808000 1351010982 /nfs/dbraw/zinc/01/09/82/1351010982.db2.gz IGNFEVCAEOUZFY-CWMRNNLJSA-N -1 0 346.792 2.151 20 5 EEBDRM C[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC001604812607 1351012534 /nfs/dbraw/zinc/01/25/34/1351012534.db2.gz YXHWCASEVWMNIU-UFBFGSQYSA-N -1 0 348.277 2.378 20 5 EEBDRM CC[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC001605116991 1351080640 /nfs/dbraw/zinc/08/06/40/1351080640.db2.gz SCBYHQZWOKPTPL-VIFPVBQESA-N -1 0 332.106 2.377 20 5 EEBDRM CCCCN(CC)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001605277238 1351123382 /nfs/dbraw/zinc/12/33/82/1351123382.db2.gz RXXPRUOEFFTVSR-NSHDSACASA-N -1 0 337.376 2.424 20 5 EEBDRM CCN1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1=O ZINC001605479255 1351166870 /nfs/dbraw/zinc/16/68/70/1351166870.db2.gz YPEGMJMUZVZZLD-UHFFFAOYSA-N -1 0 341.751 2.005 20 5 EEBDRM CCc1cccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n1 ZINC001605825959 1351229812 /nfs/dbraw/zinc/22/98/12/1351229812.db2.gz ORSKKNFDNVMUPL-KRWDZBQOSA-N -1 0 343.339 2.282 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001605883118 1351245943 /nfs/dbraw/zinc/24/59/43/1351245943.db2.gz KVKAXRHFZOLVCK-AWEZNQCLSA-N -1 0 349.295 2.225 20 5 EEBDRM COc1cc(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607085257 1351411823 /nfs/dbraw/zinc/41/18/23/1351411823.db2.gz XENIWFBIBWOFIQ-KCJUWKMLSA-N -1 0 340.307 2.116 20 5 EEBDRM COc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1O ZINC001607085232 1351412044 /nfs/dbraw/zinc/41/20/44/1351412044.db2.gz UMGCOBPWFLPNOK-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM COc1ccc(F)cc1CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607266888 1351461846 /nfs/dbraw/zinc/46/18/46/1351461846.db2.gz YQYKEXFYLOZTGZ-UHFFFAOYSA-N -1 0 335.291 2.490 20 5 EEBDRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cccnc2[N+](=O)[O-])c1 ZINC001607311217 1351470356 /nfs/dbraw/zinc/47/03/56/1351470356.db2.gz YYGHFGUDJMUUIE-AWEZNQCLSA-N -1 0 331.328 2.256 20 5 EEBDRM COc1cccc(OCC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001607327496 1351475177 /nfs/dbraw/zinc/47/51/77/1351475177.db2.gz NIIVUBGBIVMMGJ-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM COc1nc(C)ccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607357826 1351481802 /nfs/dbraw/zinc/48/18/02/1351481802.db2.gz VKHPZCCHJMKXCV-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001607824901 1351565865 /nfs/dbraw/zinc/56/58/65/1351565865.db2.gz IFLSHWVAJOMXQT-UHFFFAOYSA-N -1 0 329.312 2.486 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001607826423 1351566460 /nfs/dbraw/zinc/56/64/60/1351566460.db2.gz MLYRZUVKBZJSSE-UHFFFAOYSA-N -1 0 339.325 2.477 20 5 EEBDRM Cc1cccc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)c1[N+](=O)[O-] ZINC001607840287 1351569306 /nfs/dbraw/zinc/56/93/06/1351569306.db2.gz DPFWWKMNAJMRRL-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2ccc3c[nH]nc3c2)cc([N+](=O)[O-])c1 ZINC001608364464 1351679698 /nfs/dbraw/zinc/67/96/98/1351679698.db2.gz IARHPBUOTACFIE-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001608383781 1351682619 /nfs/dbraw/zinc/68/26/19/1351682619.db2.gz YMBPXOZUKVBMDA-YGRLFVJLSA-N -1 0 340.282 2.152 20 5 EEBDRM O=C(NCCc1ccccc1[N+](=O)[O-])c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780587957 1371166219 /nfs/dbraw/zinc/16/62/19/1371166219.db2.gz BRBBOSIPDLOFSV-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM COc1ccccc1CO[N-]C(=O)COc1ccccc1[N+](=O)[O-] ZINC000799094434 1371627994 /nfs/dbraw/zinc/62/79/94/1371627994.db2.gz LUHWOXIHWUHMLR-UHFFFAOYSA-N -1 0 332.312 2.230 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1=CC[C@@H](C)CC1 ZINC000835077464 1372588113 /nfs/dbraw/zinc/58/81/13/1372588113.db2.gz OERZWBNXGANLLV-SNVBAGLBSA-N -1 0 338.385 2.455 20 5 EEBDRM CCNc1cc(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])ccn1 ZINC001590746095 1403891075 /nfs/dbraw/zinc/89/10/75/1403891075.db2.gz IBSUFCXCUAMLKT-UHFFFAOYSA-N -1 0 340.347 2.214 20 5 EEBDRM Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1 ZINC000112160657 775451051 /nfs/dbraw/zinc/45/10/51/775451051.db2.gz MYKIVAPYXKUUPJ-UHFFFAOYSA-N -1 0 344.345 2.223 20 5 EEBDRM Nc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1[N+](=O)[O-] ZINC000060441811 790363094 /nfs/dbraw/zinc/36/30/94/790363094.db2.gz OGBURERMGFTHGU-UHFFFAOYSA-N -1 0 347.274 2.395 20 5 EEBDRM CCCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC ZINC000821603388 786817012 /nfs/dbraw/zinc/81/70/12/786817012.db2.gz WCJYQAZVXBYIAL-UHFFFAOYSA-N -1 0 329.378 2.022 20 5 EEBDRM Cc1cccc([C@H](O)CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000844212450 788931126 /nfs/dbraw/zinc/93/11/26/788931126.db2.gz XPCSFPKNUBPLQL-CYBMUJFWSA-N -1 0 331.328 2.450 20 5 EEBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000151455362 788973388 /nfs/dbraw/zinc/97/33/88/788973388.db2.gz FOYYOUHEJFQEKT-UHFFFAOYSA-N -1 0 340.401 2.164 20 5 EEBDRM Cc1cc(=O)[nH]c(N2CCC[C@H](Nc3cc(C)c([N+](=O)[O-])cn3)C2)n1 ZINC000952994109 796140263 /nfs/dbraw/zinc/14/02/63/796140263.db2.gz MCTJEYJBZHNZHR-LBPRGKRZSA-N -1 0 344.375 2.183 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc3c(c2)C(=O)NCC3)cc1[N+](=O)[O-] ZINC001174507639 797785545 /nfs/dbraw/zinc/78/55/45/797785545.db2.gz PYVJEKQVSHYGRT-UHFFFAOYSA-N -1 0 327.296 2.323 20 5 EEBDRM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000790068373 808361655 /nfs/dbraw/zinc/36/16/55/808361655.db2.gz KFDSRWVVTGJSAS-UHFFFAOYSA-N -1 0 346.727 2.088 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000809063891 812953668 /nfs/dbraw/zinc/95/36/68/812953668.db2.gz ALQKIIGALITDIW-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000809063525 812953892 /nfs/dbraw/zinc/95/38/92/812953892.db2.gz SGCZOWCMQOMTIR-UHFFFAOYSA-N -1 0 348.380 2.092 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000426694828 939142946 /nfs/dbraw/zinc/14/29/46/939142946.db2.gz GAWWGBISUVDJTD-INIZCTEOSA-N -1 0 344.323 2.306 20 5 EEBDRM O=C([O-])C1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001601701444 971042856 /nfs/dbraw/zinc/04/28/56/971042856.db2.gz OJAGOYSIIKFIBK-UHFFFAOYSA-N -1 0 332.234 2.095 20 5 EEBDRM O=C([O-])CC[C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001601976377 971100010 /nfs/dbraw/zinc/10/00/10/971100010.db2.gz WVARQSXTYURTRQ-CQSZACIVSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC001595262686 949699074 /nfs/dbraw/zinc/69/90/74/949699074.db2.gz BBCJYDOFOIFUKF-UHFFFAOYSA-N -1 0 342.311 2.278 20 5 EEBDRM CCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@H](C)C(=O)[O-] ZINC001589702740 950240245 /nfs/dbraw/zinc/24/02/45/950240245.db2.gz CYFGHIVHWXSCJV-ZCFIWIBFSA-N -1 0 330.728 2.157 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001589302882 953702306 /nfs/dbraw/zinc/70/23/06/953702306.db2.gz LOQILAFLLQWYNC-UWVGGRQHSA-N -1 0 331.328 2.401 20 5 EEBDRM O=C([O-])[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC001594831978 953977290 /nfs/dbraw/zinc/97/72/90/953977290.db2.gz ZSWWGUGUYXNEHU-OAHLLOKOSA-N -1 0 348.355 2.075 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C(=O)[O-])cn1 ZINC001593755571 954448713 /nfs/dbraw/zinc/44/87/13/954448713.db2.gz LAKWGRVLEHVKOB-UHFFFAOYSA-N -1 0 329.312 2.003 20 5 EEBDRM CC(C)[C@H](CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001589051557 955665910 /nfs/dbraw/zinc/66/59/10/955665910.db2.gz BPRZGGMOSOBSQX-AAEUAGOBSA-N -1 0 337.376 2.354 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000852947138 955864985 /nfs/dbraw/zinc/86/49/85/955864985.db2.gz JGFBHZPPQIVWQI-LBPRGKRZSA-N -1 0 326.736 2.317 20 5 EEBDRM C[C@](NCC(=O)Nc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589122160 956131802 /nfs/dbraw/zinc/13/18/02/956131802.db2.gz FOIJQAXIPCZMOV-QGZVFWFLSA-N -1 0 343.339 2.123 20 5 EEBDRM O=C([O-])[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001594696971 956778813 /nfs/dbraw/zinc/77/88/13/956778813.db2.gz IFRBLTSOSLLSBH-OAHLLOKOSA-N -1 0 347.302 2.088 20 5 EEBDRM CC(=O)N[C@@H](CSCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000069555813 957653715 /nfs/dbraw/zinc/65/37/15/957653715.db2.gz ZVWFXGJLXDPPCC-JTQLQIEISA-N -1 0 332.765 2.071 20 5 EEBDRM O=C([O-])C1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001574656834 962470034 /nfs/dbraw/zinc/47/00/34/962470034.db2.gz QCUWKEXLUQEQCJ-UHFFFAOYSA-N -1 0 346.299 2.352 20 5 EEBDRM O=C([O-])[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC=CCC1 ZINC001346333510 969763353 /nfs/dbraw/zinc/76/33/53/969763353.db2.gz UBTCXPVCCFWGJV-KRWDZBQOSA-N -1 0 330.340 2.291 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001594218142 970194521 /nfs/dbraw/zinc/19/45/21/970194521.db2.gz YVEBHSFKONRZOX-NOZJJQNGSA-N -1 0 343.339 2.408 20 5 EEBDRM C[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001605041867 972655013 /nfs/dbraw/zinc/65/50/13/972655013.db2.gz GZPYCCCMHPFPJB-QJPTWQEYSA-N -1 0 336.344 2.042 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1C(=O)[O-] ZINC001603426186 973155553 /nfs/dbraw/zinc/15/55/53/973155553.db2.gz BYZYKPCIBAPNPE-PSASIEDQSA-N -1 0 326.736 2.431 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1[N+](=O)[O-] ZINC001591921048 976391949 /nfs/dbraw/zinc/39/19/49/976391949.db2.gz OANWOYMPTANFJJ-MRVPVSSYSA-N -1 0 326.353 2.061 20 5 EEBDRM Cn1c(C(=O)N(CCC(=O)[O-])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000692437403 976476470 /nfs/dbraw/zinc/47/64/70/976476470.db2.gz SMCGWCHYAHNCOW-UHFFFAOYSA-N -1 0 331.328 2.050 20 5 EEBDRM C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC000710247102 977498233 /nfs/dbraw/zinc/49/82/33/977498233.db2.gz MQOXYPOGQXWNCF-MADCSZMMSA-N -1 0 344.165 2.299 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC001595047729 979259472 /nfs/dbraw/zinc/25/94/72/979259472.db2.gz GCEQAMJNWAYSIR-UHFFFAOYSA-N -1 0 346.339 2.370 20 5 EEBDRM O=C([O-])C12CC(C1)CN2C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000864155721 979767584 /nfs/dbraw/zinc/76/75/84/979767584.db2.gz KIISCQDNLSOZFD-UHFFFAOYSA-N -1 0 326.308 2.437 20 5 EEBDRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC001588939843 984631266 /nfs/dbraw/zinc/63/12/66/984631266.db2.gz UGUXSTNMLRUWQT-PXUDHTSWSA-N -1 0 341.323 2.335 20 5 EEBDRM CC(=O)Nc1cccc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001589204760 985664578 /nfs/dbraw/zinc/66/45/78/985664578.db2.gz CKXMYWPKFJZCMV-UHFFFAOYSA-N -1 0 344.279 2.471 20 5 EEBDRM C[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC001589431076 986723799 /nfs/dbraw/zinc/72/37/99/986723799.db2.gz WLRQNXNYMUZHRC-FTYWYKSJSA-N -1 0 336.319 2.063 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001599862854 989197971 /nfs/dbraw/zinc/19/79/71/989197971.db2.gz KUBLZCHYVGFAEI-HTRCEHHLSA-N -1 0 330.699 2.180 20 5 EEBDRM CN(C(=O)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC001598029621 990247156 /nfs/dbraw/zinc/24/71/56/990247156.db2.gz YRWKPAUHVBTEIV-UHFFFAOYSA-N -1 0 349.387 2.425 20 5 EEBDRM CC(C)(CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC001590706674 990453256 /nfs/dbraw/zinc/45/32/56/990453256.db2.gz XYMZMCBQVZFOOF-UHFFFAOYSA-N -1 0 330.287 2.304 20 5 EEBDRM C[S@](=O)[C@H]1CCC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001599775797 992300591 /nfs/dbraw/zinc/30/05/91/992300591.db2.gz SNIMGZGUJFZRTO-GANBNBROSA-N -1 0 326.374 2.395 20 5 EEBDRM C[S@](=O)[C@H]1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001599775796 992301190 /nfs/dbraw/zinc/30/11/90/992301190.db2.gz SNIMGZGUJFZRTO-AUWXTCHYSA-N -1 0 326.374 2.395 20 5 EEBDRM COc1cccc(OC)c1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001599682999 995013293 /nfs/dbraw/zinc/01/32/93/995013293.db2.gz XIGGIBCMDSIHIY-UHFFFAOYSA-N -1 0 333.300 2.317 20 5 EEBDRM C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)C(C)(C)C(=O)[O-] ZINC001593566075 995661893 /nfs/dbraw/zinc/66/18/93/995661893.db2.gz VLWBWERCWXSKRQ-ZETCQYMHSA-N -1 0 343.719 2.473 20 5 EEBDRM COC[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)[O-] ZINC001599182971 996977374 /nfs/dbraw/zinc/97/73/74/996977374.db2.gz IXUSRZIHZJPOBE-VIFPVBQESA-N -1 0 325.298 2.066 20 5 EEBDRM COc1cc(C(=O)N([C@H](C)C(=O)[O-])C2CCC2)c([N+](=O)[O-])cc1F ZINC001599350646 998087276 /nfs/dbraw/zinc/08/72/76/998087276.db2.gz IYRCDIXFJHGVDK-MRVPVSSYSA-N -1 0 340.307 2.210 20 5 EEBDRM CO[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)[C@@H]1CCOC1 ZINC001599055790 999228387 /nfs/dbraw/zinc/22/83/87/999228387.db2.gz QPJUXAULMJKLQI-LDYMZIIASA-N -1 0 344.751 2.410 20 5 EEBDRM C[C@H]1CN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2C)CC(C)(C)O1 ZINC001519781509 1119105827 /nfs/dbraw/zinc/10/58/27/1119105827.db2.gz VBDRRFBRTWCQPW-JTQLQIEISA-N -1 0 347.375 2.100 20 5 EEBDRM CCC(CC)(CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000336874992 282119769 /nfs/dbraw/zinc/11/97/69/282119769.db2.gz ZPIJMXVOEJXUMN-UHFFFAOYSA-N -1 0 344.389 2.073 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000079066393 217186585 /nfs/dbraw/zinc/18/65/85/217186585.db2.gz XUQPAVRSWVRGAU-UHFFFAOYSA-N -1 0 340.361 2.251 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000262481363 152284262 /nfs/dbraw/zinc/28/42/62/152284262.db2.gz UMIUZVIYHUZPIG-UHFFFAOYSA-N -1 0 347.371 2.496 20 5 EEBDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC000355882282 153185729 /nfs/dbraw/zinc/18/57/29/153185729.db2.gz QWOUXNIHWGOYLE-UHFFFAOYSA-N -1 0 341.320 2.328 20 5 EEBDRM C[S@@](=O)Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000130500899 292374904 /nfs/dbraw/zinc/37/49/04/292374904.db2.gz OHMQQQBRQDVXFD-QHCPKHFHSA-N -1 0 334.353 2.431 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000325443233 160542463 /nfs/dbraw/zinc/54/24/63/160542463.db2.gz NOYVYUFHYPHQAX-NSHDSACASA-N -1 0 338.360 2.470 20 5 EEBDRM O=C(CC1CCCCC1)NCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000101672828 159255558 /nfs/dbraw/zinc/25/55/58/159255558.db2.gz MBRWHXVVMQOVER-UHFFFAOYSA-N -1 0 349.387 2.117 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000105781548 159304986 /nfs/dbraw/zinc/30/49/86/159304986.db2.gz KSTORSIPDRWQMP-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM Cc1noc([C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000339182528 160834850 /nfs/dbraw/zinc/83/48/50/160834850.db2.gz JODKXHCPTAHEGG-HNNXBMFYSA-N -1 0 348.359 2.249 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000347428221 161451310 /nfs/dbraw/zinc/45/13/10/161451310.db2.gz ZMJRWHMBXSXMQG-UHFFFAOYSA-N -1 0 344.323 2.378 20 5 EEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(Oc2ccccn2)CC1 ZINC000353006956 162387730 /nfs/dbraw/zinc/38/77/30/162387730.db2.gz WFOVNLNDCNQROY-UHFFFAOYSA-N -1 0 343.339 2.379 20 5 EEBDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccncc1[N+](=O)[O-] ZINC000359408277 164127732 /nfs/dbraw/zinc/12/77/32/164127732.db2.gz KHHMQYMCHFZUNS-UHFFFAOYSA-N -1 0 344.352 2.069 20 5 EEBDRM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000360540421 164332975 /nfs/dbraw/zinc/33/29/75/164332975.db2.gz OVSCNXHKKGENEO-JTQLQIEISA-N -1 0 348.396 2.199 20 5 EEBDRM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[nH]1 ZINC000277915333 269198079 /nfs/dbraw/zinc/19/80/79/269198079.db2.gz RALSLIKEPLQYIF-DTWKUNHWSA-N -1 0 333.348 2.423 20 5 EEBDRM O=C(CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)OC1CCCCC1 ZINC000282533292 269497198 /nfs/dbraw/zinc/49/71/98/269497198.db2.gz QTJGVJFBUXAFAQ-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160427285 273985720 /nfs/dbraw/zinc/98/57/20/273985720.db2.gz VOIQTZWZQABTMZ-DGCLKSJQSA-N -1 0 349.387 2.114 20 5 EEBDRM O=C([O-])CC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000275223529 274230391 /nfs/dbraw/zinc/23/03/91/274230391.db2.gz DRLIECSQHSUKGT-LLVKDONJSA-N -1 0 342.373 2.003 20 5 EEBDRM COC(=O)CCCO[N-]C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000290799130 275241134 /nfs/dbraw/zinc/24/11/34/275241134.db2.gz XZWSZAYRVDAUGY-SNVBAGLBSA-N -1 0 342.373 2.076 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236633788 279190320 /nfs/dbraw/zinc/19/03/20/279190320.db2.gz ARQRRWLVLOVYEM-ZDUSSCGKSA-N -1 0 349.387 2.424 20 5 EEBDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255173842 292696046 /nfs/dbraw/zinc/69/60/46/292696046.db2.gz LAYVGLRDDHROCK-KHPPLWFESA-N -1 0 346.364 2.422 20 5 EEBDRM CCC(CC)S(=O)(=O)[N-]C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255741305 292718245 /nfs/dbraw/zinc/71/82/45/292718245.db2.gz NRQWLBFXMCWQIK-HJWRWDBZSA-N -1 0 326.374 2.243 20 5 EEBDRM Cn1nccc1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000367292463 303089819 /nfs/dbraw/zinc/08/98/19/303089819.db2.gz RUOVGMBNXWKYOL-NSHDSACASA-N -1 0 330.344 2.054 20 5 EEBDRM COc1ccc(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC ZINC000328201876 311605882 /nfs/dbraw/zinc/60/58/82/311605882.db2.gz QEWNKJSTJOPBLQ-UHFFFAOYSA-N -1 0 347.327 2.360 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000405414678 312455372 /nfs/dbraw/zinc/45/53/72/312455372.db2.gz OGOWKVQUFUYIAY-WSNITJDQSA-N -1 0 330.340 2.321 20 5 EEBDRM COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436892027 315010338 /nfs/dbraw/zinc/01/03/38/315010338.db2.gz JZRYHXHQEWRKGU-MLGOLLRUSA-N -1 0 336.344 2.152 20 5 EEBDRM Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(C(F)(F)F)n1 ZINC000436960147 315016834 /nfs/dbraw/zinc/01/68/34/315016834.db2.gz QBFJMKGHDFMCCJ-UHFFFAOYSA-N -1 0 330.222 2.305 20 5 EEBDRM CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000521869849 316936032 /nfs/dbraw/zinc/93/60/32/316936032.db2.gz UOQFQDJCQSURFJ-RKDXNWHRSA-N -1 0 330.362 2.006 20 5 EEBDRM O=C([O-])Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000541575007 318103136 /nfs/dbraw/zinc/10/31/36/318103136.db2.gz LEAPZAVSOGERFU-UHFFFAOYSA-N -1 0 344.279 2.203 20 5 EEBDRM CC(=O)Nc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000541861806 318112877 /nfs/dbraw/zinc/11/28/77/318112877.db2.gz CVXVDMUQXXGOCR-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548217769 318365713 /nfs/dbraw/zinc/36/57/13/318365713.db2.gz VXBIBGDHHGETCA-SNVBAGLBSA-N -1 0 344.389 2.071 20 5 EEBDRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000563213505 318984952 /nfs/dbraw/zinc/98/49/52/318984952.db2.gz ZPOZRIWTRNEIQU-WDEREUQCSA-N -1 0 331.328 2.211 20 5 EEBDRM O=C([O-])c1cccc(S(=O)(=O)NCC2=CCCCC2)c1[N+](=O)[O-] ZINC000565061697 319145048 /nfs/dbraw/zinc/14/50/48/319145048.db2.gz XJBOBJVQZWUXME-UHFFFAOYSA-N -1 0 340.357 2.072 20 5 EEBDRM CCc1nnc([C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]1 ZINC000566283366 319268652 /nfs/dbraw/zinc/26/86/52/319268652.db2.gz MNZCVYHVKYGGCK-LURJTMIESA-N -1 0 339.739 2.125 20 5 EEBDRM Cc1cc(NCC2([S@@](C)=O)CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566739792 319316689 /nfs/dbraw/zinc/31/66/89/319316689.db2.gz BIWJKBKMRLHPHZ-JOCHJYFZSA-N -1 0 326.374 2.315 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1-n1ccnn1 ZINC000183778892 323413987 /nfs/dbraw/zinc/41/39/87/323413987.db2.gz ZDXPUPJYSKHMJZ-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000583932595 324762474 /nfs/dbraw/zinc/76/24/74/324762474.db2.gz XUWKWNIFBLOAEJ-VIFPVBQESA-N -1 0 342.373 2.102 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@]2(CO)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000583996756 324774806 /nfs/dbraw/zinc/77/48/06/324774806.db2.gz AVSSDHQASXNHKE-CXAGYDPISA-N -1 0 343.339 2.266 20 5 EEBDRM Cc1cccc2nc(CNC(=O)c3ccc([N+](=O)[O-])cc3[O-])cn21 ZINC000184769399 465025376 /nfs/dbraw/zinc/02/53/76/465025376.db2.gz XPHYLIVZTSSCMF-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM COc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000327547470 465052998 /nfs/dbraw/zinc/05/29/98/465052998.db2.gz XYHKMZBNJGUXDS-CYBMUJFWSA-N -1 0 344.323 2.202 20 5 EEBDRM COC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000351514725 465195131 /nfs/dbraw/zinc/19/51/31/465195131.db2.gz CXWRPGDHXHMJLT-AWEZNQCLSA-N -1 0 330.340 2.288 20 5 EEBDRM Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])cc12 ZINC000089267709 462660748 /nfs/dbraw/zinc/66/07/48/462660748.db2.gz WBJQCBOBQRNFHD-UHFFFAOYSA-N -1 0 347.356 2.284 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000023389781 463065947 /nfs/dbraw/zinc/06/59/47/463065947.db2.gz QMPWFMQULSERKP-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000083955538 463568474 /nfs/dbraw/zinc/56/84/74/463568474.db2.gz IRPGTCUBXSUMOV-UHFFFAOYSA-N -1 0 340.386 2.433 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n(C)n1 ZINC000127306708 463695053 /nfs/dbraw/zinc/69/50/53/463695053.db2.gz VPJMLKYPMNBWRF-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1F ZINC000185094143 463751112 /nfs/dbraw/zinc/75/11/12/463751112.db2.gz WBXDWQILGXLJEI-UHFFFAOYSA-N -1 0 334.303 2.421 20 5 EEBDRM Cc1c(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269077379 463867861 /nfs/dbraw/zinc/86/78/61/463867861.db2.gz ACVOHTVZZFQGIV-LLVKDONJSA-N -1 0 339.304 2.041 20 5 EEBDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000277184736 463901337 /nfs/dbraw/zinc/90/13/37/463901337.db2.gz NZLXBHUXLBMNND-UHFFFAOYSA-N -1 0 337.229 2.130 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000194739699 463921070 /nfs/dbraw/zinc/92/10/70/463921070.db2.gz NPXNEBGBJIJDSV-UHFFFAOYSA-N -1 0 340.361 2.348 20 5 EEBDRM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262149353 463959218 /nfs/dbraw/zinc/95/92/18/463959218.db2.gz OHOIFAIKQVEZPV-YGRLFVJLSA-N -1 0 336.344 2.084 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000236928551 464240472 /nfs/dbraw/zinc/24/04/72/464240472.db2.gz CKCSYDLDPWMRPB-XHDPSFHLSA-N -1 0 337.376 2.402 20 5 EEBDRM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000237109092 464267340 /nfs/dbraw/zinc/26/73/40/464267340.db2.gz VAQMCXIDMBRJMF-UHFFFAOYSA-N -1 0 329.312 2.368 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237957999 464410326 /nfs/dbraw/zinc/41/03/26/464410326.db2.gz PBYMIJZGYAIMHI-YPMHNXCESA-N -1 0 335.360 2.156 20 5 EEBDRM CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cn1 ZINC000181060206 464441134 /nfs/dbraw/zinc/44/11/34/464441134.db2.gz MEVGWTZNZGXNEU-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM COc1cc(CNc2nnc([C@H]3CCCO3)o2)cc([N+](=O)[O-])c1[O-] ZINC000272202275 464517036 /nfs/dbraw/zinc/51/70/36/464517036.db2.gz HQLBBZUYPMMBPF-SNVBAGLBSA-N -1 0 336.304 2.156 20 5 EEBDRM CO[C@@H](C)c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000272364532 464578471 /nfs/dbraw/zinc/57/84/71/464578471.db2.gz GAINFTNUGLRRMT-QMMMGPOBSA-N -1 0 337.357 2.394 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ncnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000282332591 464779625 /nfs/dbraw/zinc/77/96/25/464779625.db2.gz QBPSZFVCLJQTPF-UHFFFAOYSA-N -1 0 339.377 2.051 20 5 EEBDRM O=C([O-])C1(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000554605529 468430340 /nfs/dbraw/zinc/43/03/40/468430340.db2.gz SIBAWNXDPMMXOS-UHFFFAOYSA-N -1 0 335.360 2.224 20 5 EEBDRM C[NH+](C)Cc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC000356725537 465507745 /nfs/dbraw/zinc/50/77/45/465507745.db2.gz JRPGLZIOMZGRLU-UHFFFAOYSA-N -1 0 347.346 2.431 20 5 EEBDRM O=C(NCCOc1ccc(Cl)cn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356805351 465550570 /nfs/dbraw/zinc/55/05/70/465550570.db2.gz QRYMYHSAIKDBGU-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000593962972 468445742 /nfs/dbraw/zinc/44/57/42/468445742.db2.gz XNBBNTBUELTLDT-LLVKDONJSA-N -1 0 339.348 2.472 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)noc1C ZINC000299556796 465800180 /nfs/dbraw/zinc/80/01/80/465800180.db2.gz XGJXFWYATKCDHW-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM Cc1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000331873822 466284575 /nfs/dbraw/zinc/28/45/75/466284575.db2.gz HJLHEFHCIXBTJO-LLVKDONJSA-N -1 0 331.332 2.094 20 5 EEBDRM CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331975477 466330062 /nfs/dbraw/zinc/33/00/62/466330062.db2.gz XEBPPGUULPXSPC-HYVNUMGLSA-N -1 0 336.388 2.316 20 5 EEBDRM CS(=O)(=O)c1cccc(NCCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000316869587 466575777 /nfs/dbraw/zinc/57/57/77/466575777.db2.gz UTQYLZMWDNSHFJ-UHFFFAOYSA-N -1 0 330.362 2.055 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000417800481 466939244 /nfs/dbraw/zinc/93/92/44/466939244.db2.gz USSXEOMKWMCWBW-BJOHPYRUSA-N -1 0 337.307 2.453 20 5 EEBDRM CN(CC(C)(C)C)C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000549017706 468166511 /nfs/dbraw/zinc/16/65/11/468166511.db2.gz YFYOQCVVLKRGEC-CYBMUJFWSA-N -1 0 337.376 2.278 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000567879117 468229084 /nfs/dbraw/zinc/22/90/84/468229084.db2.gz LFZHBNJLHYYPIK-GXSJLCMTSA-N -1 0 337.332 2.178 20 5 EEBDRM Cc1ccccc1N1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000578656236 468234356 /nfs/dbraw/zinc/23/43/56/468234356.db2.gz NCALYJUXDFUKEY-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2nc(C3CC3)ncc2C1 ZINC000600419353 468552348 /nfs/dbraw/zinc/55/23/48/468552348.db2.gz HLGZDYIHHOZLKY-UHFFFAOYSA-N -1 0 340.339 2.166 20 5 EEBDRM O=C([O-])c1cnc(NCC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000570048089 468584162 /nfs/dbraw/zinc/58/41/62/468584162.db2.gz HESGGDCSXPBLAR-LLVKDONJSA-N -1 0 345.311 2.330 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C)[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000582961855 468623142 /nfs/dbraw/zinc/62/31/42/468623142.db2.gz DPOPVYPVDPAJCU-JTQLQIEISA-N -1 0 344.389 2.266 20 5 EEBDRM O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000597656151 468628393 /nfs/dbraw/zinc/62/83/93/468628393.db2.gz JVHUMGJYBQNYOM-VIFPVBQESA-N -1 0 347.293 2.057 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000600874203 468672643 /nfs/dbraw/zinc/67/26/43/468672643.db2.gz JQBJARQIYVEBOE-XQQFMLRXSA-N -1 0 348.355 2.075 20 5 EEBDRM CCCSCC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877790 468673534 /nfs/dbraw/zinc/67/35/34/468673534.db2.gz UQMSJYPSHBKBAQ-CQSZACIVSA-N -1 0 326.374 2.154 20 5 EEBDRM CC(C)([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1F ZINC000559067182 468726667 /nfs/dbraw/zinc/72/66/67/468726667.db2.gz IJTRFXUXWOIWSF-UHFFFAOYSA-N -1 0 339.348 2.343 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000595244148 468791694 /nfs/dbraw/zinc/79/16/94/468791694.db2.gz HZDOEKRIQVFKSE-ZJUUUORDSA-N -1 0 346.261 2.320 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000595245364 468792097 /nfs/dbraw/zinc/79/20/97/468792097.db2.gz NSQXXBVJTZMBDS-BZPMIXESSA-N -1 0 333.344 2.095 20 5 EEBDRM Cc1cccc(C[C@H](CO)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000592976738 468831642 /nfs/dbraw/zinc/83/16/42/468831642.db2.gz VCMYTXSCXSEXDU-CYBMUJFWSA-N -1 0 345.355 2.320 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](Cc3ccncc3)C2)n1 ZINC000592976048 468831848 /nfs/dbraw/zinc/83/18/48/468831848.db2.gz VGKGXCBVJFJALY-ZDUSSCGKSA-N -1 0 342.355 2.460 20 5 EEBDRM CN(CCC(C)(C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000593312277 468935695 /nfs/dbraw/zinc/93/56/95/468935695.db2.gz ATWIHRONYCTMMG-UHFFFAOYSA-N -1 0 344.389 2.350 20 5 EEBDRM O=C([O-])c1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccn1 ZINC000593322522 468938153 /nfs/dbraw/zinc/93/81/53/468938153.db2.gz NXHYMZPBUWEAGX-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598657780 468948843 /nfs/dbraw/zinc/94/88/43/468948843.db2.gz GRQSJHVUPPYGNY-HNNXBMFYSA-N -1 0 345.355 2.474 20 5 EEBDRM C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000572721955 468980540 /nfs/dbraw/zinc/98/05/40/468980540.db2.gz KODZKAIBRYANST-KWQFWETISA-N -1 0 326.736 2.431 20 5 EEBDRM CCOc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000610483436 468980913 /nfs/dbraw/zinc/98/09/13/468980913.db2.gz CURNXBRRWWYPHK-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM COc1cccc(C(=O)N=c2nc(CC(C)C)[n-]s2)c1[N+](=O)[O-] ZINC000598769617 468996981 /nfs/dbraw/zinc/99/69/81/468996981.db2.gz GCDRJABCOHPIDC-UHFFFAOYSA-N -1 0 336.373 2.328 20 5 EEBDRM CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000595999495 469111612 /nfs/dbraw/zinc/11/16/12/469111612.db2.gz BSHJHKAXFNXIKF-RKDXNWHRSA-N -1 0 344.751 2.337 20 5 EEBDRM COc1cccc(S(=O)(=O)[N-]c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000611151481 469174552 /nfs/dbraw/zinc/17/45/52/469174552.db2.gz RTXZAELDWQLTOY-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000611558007 469278655 /nfs/dbraw/zinc/27/86/55/469278655.db2.gz QMGMFDRFETXTRG-RDDDGLTNSA-N -1 0 334.250 2.092 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C)ccc1O ZINC000619468144 469616666 /nfs/dbraw/zinc/61/66/66/469616666.db2.gz ZRRDHQOZEHUTHY-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM CC[C@@](C)([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1nccs1 ZINC000610264570 469996575 /nfs/dbraw/zinc/99/65/75/469996575.db2.gz CCYVGKAYAALHDA-GFCCVEGCSA-N -1 0 342.402 2.050 20 5 EEBDRM CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181944182 528541726 /nfs/dbraw/zinc/54/17/26/528541726.db2.gz LXGWDWHIWZOTQJ-LBPRGKRZSA-N -1 0 349.387 2.069 20 5 EEBDRM O=[N+]([O-])c1cnc([N-]c2ccn(-c3ccccc3)n2)c(-c2nn[nH]n2)c1 ZINC000738374185 578011600 /nfs/dbraw/zinc/01/16/00/578011600.db2.gz KLHAWNCWTRIWIG-UHFFFAOYSA-N -1 0 349.314 2.099 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2ccsc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000738478425 578016610 /nfs/dbraw/zinc/01/66/10/578016610.db2.gz PVAQKTBTOZAYHF-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc2n1 ZINC000738346381 576329761 /nfs/dbraw/zinc/32/97/61/576329761.db2.gz SMWLJWLGKQSBJR-UHFFFAOYSA-N -1 0 348.296 2.451 20 5 EEBDRM CNC(=O)c1ccc(Nc2cccc(CC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000738019545 576707924 /nfs/dbraw/zinc/70/79/24/576707924.db2.gz ACBBKISOKKCEBX-UHFFFAOYSA-N -1 0 329.312 2.325 20 5 EEBDRM COc1cc(C(=O)Oc2cccc(CC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000737863052 577100922 /nfs/dbraw/zinc/10/09/22/577100922.db2.gz MBTOOIPKJIIRES-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM O=C(Nc1ccn(Cc2ccccn2)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772644601 577287609 /nfs/dbraw/zinc/28/76/09/577287609.db2.gz RAJQDLLKSCHXEM-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1[N+](=O)[O-] ZINC000773825291 577366348 /nfs/dbraw/zinc/36/63/48/577366348.db2.gz IAJFVZYTGLFBFJ-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM COC(=O)c1csc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768890211 577565134 /nfs/dbraw/zinc/56/51/34/577565134.db2.gz TVPQPPKCQLXDOL-UHFFFAOYSA-N -1 0 348.383 2.305 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755355254 577824044 /nfs/dbraw/zinc/82/40/44/577824044.db2.gz SIDPKSJDXKKFRA-CYBMUJFWSA-N -1 0 328.328 2.206 20 5 EEBDRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000745948523 577920663 /nfs/dbraw/zinc/92/06/63/577920663.db2.gz MNZNIDFPOWAIHE-UHFFFAOYSA-N -1 0 344.389 2.235 20 5 EEBDRM Nc1ccc(C(=O)OCc2ccc(F)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000739204281 578043864 /nfs/dbraw/zinc/04/38/64/578043864.db2.gz XDPCGNYRAAANJW-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM O=C(OC[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000739221997 578044381 /nfs/dbraw/zinc/04/43/81/578044381.db2.gz QRCVKZTVXABKGB-NSHDSACASA-N -1 0 329.312 2.133 20 5 EEBDRM O=C([O-])N1CCC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000739390013 578051708 /nfs/dbraw/zinc/05/17/08/578051708.db2.gz WQHYSMLTSJXPGU-GFCCVEGCSA-N -1 0 348.359 2.041 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000739581715 578059232 /nfs/dbraw/zinc/05/92/32/578059232.db2.gz PDLRQMNVYOFIEU-GFCCVEGCSA-N -1 0 347.371 2.132 20 5 EEBDRM CC(C)N1CC[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000736474581 578206606 /nfs/dbraw/zinc/20/66/06/578206606.db2.gz MZJSIAGDHGBWMX-RYWCDNDXSA-N -1 0 333.344 2.114 20 5 EEBDRM CCCc1cc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n2ncnc2n1 ZINC000737045751 578235023 /nfs/dbraw/zinc/23/50/23/578235023.db2.gz ZBZLVVKYCIGIOL-UHFFFAOYSA-N -1 0 343.299 2.476 20 5 EEBDRM CCn1cc(CN(C)c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000737301276 578249154 /nfs/dbraw/zinc/24/91/54/578249154.db2.gz QEHXMPITWVUZMV-UHFFFAOYSA-N -1 0 349.303 2.054 20 5 EEBDRM CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737325154 578250472 /nfs/dbraw/zinc/25/04/72/578250472.db2.gz GTCINMXCZQMETC-MRXNPFEDSA-N -1 0 328.324 2.422 20 5 EEBDRM CN(C)C(=O)c1cccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000737949525 578274155 /nfs/dbraw/zinc/27/41/55/578274155.db2.gz AVTPODRSHOJYGO-UHFFFAOYSA-N -1 0 344.327 2.002 20 5 EEBDRM CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000818289845 597202450 /nfs/dbraw/zinc/20/24/50/597202450.db2.gz IYUJXBBHXQCAFC-SSDOTTSWSA-N -1 0 333.247 2.181 20 5 EEBDRM O=C([O-])CCCCNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000070199876 598165002 /nfs/dbraw/zinc/16/50/02/598165002.db2.gz VRZNUHKBWUMCSF-UHFFFAOYSA-N -1 0 345.149 2.342 20 5 EEBDRM CC(C)C[C@H]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826840055 600803233 /nfs/dbraw/zinc/80/32/33/600803233.db2.gz LGVZKAAPVGNHMG-GFCCVEGCSA-N -1 0 349.387 2.282 20 5 EEBDRM CCC1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCOCC1 ZINC000829065597 601112431 /nfs/dbraw/zinc/11/24/31/601112431.db2.gz UBLIDVFYRXOTKY-UHFFFAOYSA-N -1 0 336.344 2.230 20 5 EEBDRM Cn1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000833047286 601315119 /nfs/dbraw/zinc/31/51/19/601315119.db2.gz KVDYNGBNEMVDSM-UHFFFAOYSA-N -1 0 335.341 2.362 20 5 EEBDRM Cc1c(C(=O)N(CCC(=O)[O-])Cc2ccncc2)cccc1[N+](=O)[O-] ZINC000832848507 601516449 /nfs/dbraw/zinc/51/64/49/601516449.db2.gz FXWHYXFEGSTFJH-UHFFFAOYSA-N -1 0 343.339 2.415 20 5 EEBDRM C[C@H](CO[C@@H]1CCOC1)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827517155 601562308 /nfs/dbraw/zinc/56/23/08/601562308.db2.gz FXMIGTBCECXOLY-KJGKVODESA-N -1 0 336.344 2.299 20 5 EEBDRM C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000828354825 601665324 /nfs/dbraw/zinc/66/53/24/601665324.db2.gz QFSXKJUGLKGEPS-SWLSCSKDSA-N -1 0 349.387 2.280 20 5 EEBDRM C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827406509 602085812 /nfs/dbraw/zinc/08/58/12/602085812.db2.gz WNWDPEJZZQVCEA-NOZJJQNGSA-N -1 0 348.311 2.128 20 5 EEBDRM Cc1nn(Cc2noc(CCCC(=O)[O-])n2)c2ccc([N+](=O)[O-])cc12 ZINC000833021420 602160758 /nfs/dbraw/zinc/16/07/58/602160758.db2.gz MCQPTYKWBHKURC-UHFFFAOYSA-N -1 0 345.315 2.092 20 5 EEBDRM COC[C@@](C)(CC(=O)[O-])NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831558281 602292144 /nfs/dbraw/zinc/29/21/44/602292144.db2.gz FXLIAAIOFKCESP-CYBMUJFWSA-N -1 0 345.739 2.250 20 5 EEBDRM Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896973 602320710 /nfs/dbraw/zinc/32/07/10/602320710.db2.gz IRTUPYKJDPGWNV-KDDOJWQBSA-N -1 0 333.344 2.023 20 5 EEBDRM Cc1nc(NC(=O)c2cccc(OCC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000833002346 602398217 /nfs/dbraw/zinc/39/82/17/602398217.db2.gz VJLYEWULFXZQJR-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM CCn1cnnc1CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830434132 604267504 /nfs/dbraw/zinc/26/75/04/604267504.db2.gz APFSWHZWYUQIFQ-UHFFFAOYSA-N -1 0 339.739 2.212 20 5 EEBDRM CC(C)(CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccncc1 ZINC000833459352 604575746 /nfs/dbraw/zinc/57/57/46/604575746.db2.gz SYFGOUHRHREUCS-UHFFFAOYSA-N -1 0 343.339 2.396 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000833553242 605082642 /nfs/dbraw/zinc/08/26/42/605082642.db2.gz AACGDSAXOKGHEJ-CQSZACIVSA-N -1 0 344.270 2.133 20 5 EEBDRM CCC[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833649308 605129782 /nfs/dbraw/zinc/12/97/82/605129782.db2.gz CZBMBTDJDPTVPP-MRVPVSSYSA-N -1 0 332.259 2.179 20 5 EEBDRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1 ZINC000262407820 685798624 /nfs/dbraw/zinc/79/86/24/685798624.db2.gz NJDXXBQNJNAQAI-GFCCVEGCSA-N -1 0 338.360 2.184 20 5 EEBDRM CC(C)(CCC(=O)[O-])Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000263400019 689789065 /nfs/dbraw/zinc/78/90/65/689789065.db2.gz IPXLBYPQPVMOMN-UHFFFAOYSA-N -1 0 330.362 2.054 20 5 EEBDRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C(CF)CF)c1Cl ZINC000885413878 1202411830 /nfs/dbraw/zinc/41/18/30/1202411830.db2.gz OEUPHQNDSZSYHR-UHFFFAOYSA-N -1 0 349.142 2.488 20 5 EEBDRM Cc1ccnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000083955052 1211514415 /nfs/dbraw/zinc/51/44/15/1211514415.db2.gz KWTCVMYQJVWQGM-UHFFFAOYSA-N -1 0 341.776 2.483 20 5 EEBDRM O=S(=O)([N-]c1cc2cccnc2c2ncccc12)c1c[nH]cn1 ZINC001187762860 1279646299 /nfs/dbraw/zinc/64/62/99/1279646299.db2.gz RPNTXDSLIWHMAA-UHFFFAOYSA-N -1 0 325.353 2.307 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@@]1(C2CCCC2)CCNC1=O ZINC000860023716 1294759766 /nfs/dbraw/zinc/75/97/66/1294759766.db2.gz LRCXECBPESFPSV-QGZVFWFLSA-N -1 0 348.355 2.040 20 5 EEBDRM COC(=O)c1ncc2n1CCC[C@@H]2Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225493908 1301022479 /nfs/dbraw/zinc/02/24/79/1301022479.db2.gz IDUSPQBKGLPAPQ-LBPRGKRZSA-N -1 0 333.300 2.197 20 5 EEBDRM CC(C)OCCOCCOCCOc1cccc([O-])c1[N+](=O)[O-] ZINC001225620767 1301096332 /nfs/dbraw/zinc/09/63/32/1301096332.db2.gz UTBLLBZUMGATNC-UHFFFAOYSA-N -1 0 329.349 2.137 20 5 EEBDRM O=c1[n-]c(C2CC2)nc(OC2CCC3(CC2)OCCO3)c1[N+](=O)[O-] ZINC001228607590 1302335271 /nfs/dbraw/zinc/33/52/71/1302335271.db2.gz WUAXUWHQDYXUJZ-UHFFFAOYSA-N -1 0 337.332 2.032 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C)C(=O)OC(C)(C)C)cc1[O-] ZINC001228814228 1302463123 /nfs/dbraw/zinc/46/31/23/1302463123.db2.gz LCGCQBFMQLNLCO-MRVPVSSYSA-N -1 0 341.316 2.196 20 5 EEBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(OC[C@H]2COc3ccccc3O2)cc1[O-] ZINC001231220050 1303687541 /nfs/dbraw/zinc/68/75/41/1303687541.db2.gz DSTGRMTUEPSFIU-SECBINFHSA-N -1 0 348.267 2.427 20 5 EEBDRM CCCCC[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000797710943 1304809311 /nfs/dbraw/zinc/80/93/11/1304809311.db2.gz BJPOJRUABAHNIB-CQSZACIVSA-N -1 0 337.376 2.470 20 5 EEBDRM CC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000835027589 1314894133 /nfs/dbraw/zinc/89/41/33/1314894133.db2.gz FHYCCZBSZRFADB-SOFGYWHQSA-N -1 0 332.765 2.409 20 5 EEBDRM CC(C)([N-]C(=O)C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000834842808 1314882115 /nfs/dbraw/zinc/88/21/15/1314882115.db2.gz CSHVRYXBUHDYAM-UHFFFAOYSA-N -1 0 334.210 2.151 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000842405613 1315698485 /nfs/dbraw/zinc/69/84/85/1315698485.db2.gz LQUMITQVJZRPAG-GFCCVEGCSA-N -1 0 338.385 2.206 20 5 EEBDRM Cc1cc(NCc2cc(=O)[n-]o2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158565327 1319308610 /nfs/dbraw/zinc/30/86/10/1319308610.db2.gz ZYASBHLVYUJUNS-UHFFFAOYSA-N -1 0 327.300 2.088 20 5 EEBDRM O=C1[N-]C(=O)[C@@H](Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])S1 ZINC001163662046 1321184350 /nfs/dbraw/zinc/18/43/50/1321184350.db2.gz JICSPTYEHHONHV-ZDUSSCGKSA-N -1 0 330.325 2.378 20 5 EEBDRM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)o1)c1cccc([N+](=O)[O-])c1 ZINC001590010120 1349106342 /nfs/dbraw/zinc/10/63/42/1349106342.db2.gz NPIOMQKKVPPTNT-QMMMGPOBSA-N -1 0 329.272 2.286 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H]2CCC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC001602389183 1350508884 /nfs/dbraw/zinc/50/88/84/1350508884.db2.gz MMYBIVIBZOXGGZ-LBPRGKRZSA-N -1 0 337.328 2.400 20 5 EEBDRM O=C([O-])[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(O)c1 ZINC001608550925 1351714886 /nfs/dbraw/zinc/71/48/86/1351714886.db2.gz HQPHZRBSKFAQIA-OAHLLOKOSA-N -1 0 342.311 2.092 20 5 EEBDRM CC[C@@H](COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001605048943 1351066334 /nfs/dbraw/zinc/06/63/34/1351066334.db2.gz OKYCSNILWYXMHI-JTQLQIEISA-N -1 0 333.300 2.048 20 5 EEBDRM Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cn1 ZINC001607727872 1351547344 /nfs/dbraw/zinc/54/73/44/1351547344.db2.gz HTAKJLORVACFFW-INIZCTEOSA-N -1 0 329.312 2.028 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC001608357392 1351678017 /nfs/dbraw/zinc/67/80/17/1351678017.db2.gz IMFPKEATUPAZKE-UHFFFAOYSA-N -1 0 337.238 2.147 20 5 EEBDRM O=C([O-])C1(CS(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC001608574479 1351718908 /nfs/dbraw/zinc/71/89/08/1351718908.db2.gz BRFHXIVZKIMEAI-UHFFFAOYSA-N -1 0 347.320 2.088 20 5 EEBDRM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C/C=C\Cl ZINC001309929412 1331648219 /nfs/dbraw/zinc/64/82/19/1331648219.db2.gz WHPHFDKPZWYFLU-UPHRSURJSA-N -1 0 329.136 2.418 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)CC2 ZINC001608609400 1351725230 /nfs/dbraw/zinc/72/52/30/1351725230.db2.gz YXXQVLFDNCIPOE-NSHDSACASA-N -1 0 343.339 2.403 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NC[C@H](O)c2ccccn2)c([N+](=O)[O-])c1 ZINC001608661116 1351736894 /nfs/dbraw/zinc/73/68/94/1351736894.db2.gz MXEZKMNFEWLIMB-PKYBCLHXSA-N -1 0 329.312 2.233 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001608785299 1351762745 /nfs/dbraw/zinc/76/27/45/1351762745.db2.gz KIVARWGJBCVWKS-UHFFFAOYSA-N -1 0 349.730 2.452 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)c2occ3c2CCOC3)c1 ZINC001608914645 1351793044 /nfs/dbraw/zinc/79/30/44/1351793044.db2.gz CFRSNEKKORFUQW-UHFFFAOYSA-N -1 0 347.279 2.316 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Cn2cnc3c(F)cccc3c2=O)c1 ZINC001608914882 1351793414 /nfs/dbraw/zinc/79/34/14/1351793414.db2.gz OOTPUUVNKSNURU-UHFFFAOYSA-N -1 0 343.270 2.190 20 5 EEBDRM O=C([O-])c1ccnc(N2CCCC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001608952613 1351801780 /nfs/dbraw/zinc/80/17/80/1351801780.db2.gz DZDSJPJBLGXDLA-NWDGAFQWSA-N -1 0 335.360 2.331 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001608974736 1351806079 /nfs/dbraw/zinc/80/60/79/1351806079.db2.gz JCIOSCNBYCQACA-GFCCVEGCSA-N -1 0 335.360 2.331 20 5 EEBDRM O=C([O-])c1cnc(NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC001608977533 1351806337 /nfs/dbraw/zinc/80/63/37/1351806337.db2.gz OQVCRPFFEUTRJA-UHFFFAOYSA-N -1 0 342.315 2.004 20 5 EEBDRM O=C([O-])C1(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC001609017291 1351815399 /nfs/dbraw/zinc/81/53/99/1351815399.db2.gz GYLFZSJVUVDWQW-UHFFFAOYSA-N -1 0 334.328 2.217 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2ccnc(C3CC3)n2)cc1[N+](=O)[O-] ZINC001609026704 1351818702 /nfs/dbraw/zinc/81/87/02/1351818702.db2.gz YHLJJXKWFVDYJY-UHFFFAOYSA-N -1 0 329.268 2.180 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)C1(O)CCC1 ZINC001337156891 1336653666 /nfs/dbraw/zinc/65/36/66/1336653666.db2.gz DQYOATLKUKMVQN-UHFFFAOYSA-N -1 0 336.678 2.443 20 5 EEBDRM C[C@H]1SCCN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2C)[C@H]1C ZINC001338405990 1336856492 /nfs/dbraw/zinc/85/64/92/1336856492.db2.gz FEXKUEOLHMEMOM-VHSXEESVSA-N -1 0 349.416 2.426 20 5 EEBDRM CCC[C@@](C)(NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)[O-] ZINC001609954027 1352128865 /nfs/dbraw/zinc/12/88/65/1352128865.db2.gz OPBBPUZJDGKFQN-MRXNPFEDSA-N -1 0 346.343 2.358 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)C(C)(C)C ZINC001343961880 1337359848 /nfs/dbraw/zinc/35/98/48/1337359848.db2.gz QYXQZLPLEXIVJM-SECBINFHSA-N -1 0 346.430 2.320 20 5 EEBDRM CC[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CCO1 ZINC001609946811 1352126671 /nfs/dbraw/zinc/12/66/71/1352126671.db2.gz MVHPTYXSBULUDK-NSHDSACASA-N -1 0 337.332 2.244 20 5 EEBDRM COC[C@H]1CCCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001610250918 1352194288 /nfs/dbraw/zinc/19/42/88/1352194288.db2.gz ZPIWBATYNHDTCN-NSHDSACASA-N -1 0 336.344 2.182 20 5 EEBDRM Cc1cnc(OCC(=O)Nc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001610539291 1352241371 /nfs/dbraw/zinc/24/13/71/1352241371.db2.gz BCBBKUXNFXLTKK-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001610742128 1352267128 /nfs/dbraw/zinc/26/71/28/1352267128.db2.gz UJEPXXVOJDBZTB-ZDUSSCGKSA-N -1 0 346.343 2.474 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001610865203 1352287383 /nfs/dbraw/zinc/28/73/83/1352287383.db2.gz YTTUCILJWRBLJJ-UHFFFAOYSA-N -1 0 331.240 2.119 20 5 EEBDRM Cc1c(CNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cccc1[N+](=O)[O-] ZINC001600011467 1349955000 /nfs/dbraw/zinc/95/50/00/1349955000.db2.gz FWIQXLPOZYGGTL-RQJABVFESA-N -1 0 347.371 2.202 20 5 EEBDRM Cc1cc(N2CC[C@@](CO)(C(F)(F)F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600237744 1349999210 /nfs/dbraw/zinc/99/92/10/1349999210.db2.gz FXFNULMOAFWGNL-CYBMUJFWSA-N -1 0 348.277 2.353 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001600304601 1350015518 /nfs/dbraw/zinc/01/55/18/1350015518.db2.gz AYWJXTFODAUGIG-UHFFFAOYSA-N -1 0 333.300 2.255 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001600307191 1350016600 /nfs/dbraw/zinc/01/66/00/1350016600.db2.gz MVSVBOBPPBMWPN-DTWKUNHWSA-N -1 0 333.266 2.388 20 5 EEBDRM Cc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC001600446222 1350053331 /nfs/dbraw/zinc/05/33/31/1350053331.db2.gz UZDYBQLZUJWNJG-CQSZACIVSA-N -1 0 330.296 2.274 20 5 EEBDRM Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(C(=O)[O-])c1C ZINC001600446848 1350053394 /nfs/dbraw/zinc/05/33/94/1350053394.db2.gz AWZUOHBBTCGELT-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM Cc1ccc(NCCCNC(=O)C23CC(C(=O)[O-])(C2)C3)c([N+](=O)[O-])c1 ZINC001600459978 1350057487 /nfs/dbraw/zinc/05/74/87/1350057487.db2.gz WZKOXWSGFLHRCF-UHFFFAOYSA-N -1 0 347.371 2.076 20 5 EEBDRM Cc1ncc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C2CC2)n1 ZINC001600734690 1350124373 /nfs/dbraw/zinc/12/43/73/1350124373.db2.gz IPUFGSZUGNPRDA-UHFFFAOYSA-N -1 0 343.295 2.488 20 5 EEBDRM Cc1sc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)cc1[N+](=O)[O-] ZINC001600865752 1350155327 /nfs/dbraw/zinc/15/53/27/1350155327.db2.gz REFVIHYARDOQGU-HNNXBMFYSA-N -1 0 349.368 2.480 20 5 EEBDRM Cn1c(=O)oc2ccc(NCc3cc(C(=O)[O-])ccc3[N+](=O)[O-])cc21 ZINC001600898051 1350162323 /nfs/dbraw/zinc/16/23/23/1350162323.db2.gz IAUWBILWZLBSOZ-UHFFFAOYSA-N -1 0 343.295 2.350 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001600906443 1350164874 /nfs/dbraw/zinc/16/48/74/1350164874.db2.gz DRIAVZTZWALAFU-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001600964093 1350178350 /nfs/dbraw/zinc/17/83/50/1350178350.db2.gz HJLHQRPLZCPBBR-QWHCGFSZSA-N -1 0 329.312 2.374 20 5 EEBDRM Nc1ccc(NC(=O)NCC2(CC(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC001601216633 1350233563 /nfs/dbraw/zinc/23/35/63/1350233563.db2.gz KDVQBLANVIERNM-UHFFFAOYSA-N -1 0 336.348 2.334 20 5 EEBDRM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001601221904 1350235398 /nfs/dbraw/zinc/23/53/98/1350235398.db2.gz RGCNDKINKGGHKP-UHFFFAOYSA-N -1 0 336.691 2.176 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)CCn2cc([N+](=O)[O-])cn2)c(Cl)c1 ZINC001601300352 1350252391 /nfs/dbraw/zinc/25/23/91/1350252391.db2.gz PVXQQIBEXNMIMF-UHFFFAOYSA-N -1 0 339.691 2.139 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC001601334921 1350260419 /nfs/dbraw/zinc/26/04/19/1350260419.db2.gz SWGQRCKTDSGTAU-UHFFFAOYSA-N -1 0 335.293 2.394 20 5 EEBDRM O=C([O-])c1sccc1COC(=O)COc1ccccc1[N+](=O)[O-] ZINC001601345351 1350262582 /nfs/dbraw/zinc/26/25/82/1350262582.db2.gz CMKOGBLXKHNBLZ-UHFFFAOYSA-N -1 0 337.309 2.477 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC001601393006 1350272578 /nfs/dbraw/zinc/27/25/78/1350272578.db2.gz CQRCFVOWMNMPKX-JTQLQIEISA-N -1 0 332.234 2.207 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001601401208 1350275031 /nfs/dbraw/zinc/27/50/31/1350275031.db2.gz ZLPZZVZHHVCDBP-CYBMUJFWSA-N -1 0 348.336 2.147 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccnc1 ZINC001601402783 1350275488 /nfs/dbraw/zinc/27/54/88/1350275488.db2.gz WTDFSAISHOKXHA-CQSZACIVSA-N -1 0 340.295 2.027 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001601688899 1350338193 /nfs/dbraw/zinc/33/81/93/1350338193.db2.gz GYCYHWNLJFSKLL-BBBLOLIVSA-N -1 0 334.111 2.328 20 5 EEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001601753743 1350356784 /nfs/dbraw/zinc/35/67/84/1350356784.db2.gz GUBNHYPSSCVDSM-CHUNWDLHSA-N -1 0 344.367 2.410 20 5 EEBDRM O=C([O-])C[C@@]1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCOC1 ZINC001601929898 1350399548 /nfs/dbraw/zinc/39/95/48/1350399548.db2.gz MCJODHBMPZTHRF-AWEZNQCLSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])c1cc(=O)n(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC001602237975 1350473514 /nfs/dbraw/zinc/47/35/14/1350473514.db2.gz FRUXIVPQMCZIKR-UHFFFAOYSA-N -1 0 344.110 2.205 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccc3c(n2)CCC3)cc([N+](=O)[O-])c1 ZINC001602248011 1350475983 /nfs/dbraw/zinc/47/59/83/1350475983.db2.gz STKDJTSBCUTBOY-UHFFFAOYSA-N -1 0 327.296 2.429 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2ncc(-c3ccccc3)o2)c1 ZINC001602299214 1350488063 /nfs/dbraw/zinc/48/80/63/1350488063.db2.gz MQFOLAWOJJLWAF-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCCNc1cnccn1 ZINC001602299649 1350488237 /nfs/dbraw/zinc/48/82/37/1350488237.db2.gz ZWUAHMVKDNTMAW-UHFFFAOYSA-N -1 0 337.723 2.260 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC001602341989 1350499267 /nfs/dbraw/zinc/49/92/67/1350499267.db2.gz JXJFAHDXFURZBK-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1 ZINC001602342125 1350499384 /nfs/dbraw/zinc/49/93/84/1350499384.db2.gz SRMVYBGQDZWYND-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(c3cccc(F)n3)CC2)c1 ZINC001602404641 1350511998 /nfs/dbraw/zinc/51/19/98/1350511998.db2.gz XFHBFNXYJPUUJF-UHFFFAOYSA-N -1 0 346.318 2.154 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(CC(F)(F)F)C2)n1 ZINC001602404536 1350512062 /nfs/dbraw/zinc/51/20/62/1350512062.db2.gz OROBFXSRINUKJV-MRVPVSSYSA-N -1 0 348.281 2.127 20 5 EEBDRM O=C([O-])c1cnc(N2CCc3ccc([N+](=O)[O-])cc3C2)c([N+](=O)[O-])c1 ZINC001602528380 1350539404 /nfs/dbraw/zinc/53/94/04/1350539404.db2.gz YQPDKAGIJKMYKD-UHFFFAOYSA-N -1 0 344.283 2.159 20 5 EEBDRM O=C([O-])c1sccc1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC001602597153 1350554076 /nfs/dbraw/zinc/55/40/76/1350554076.db2.gz OAUGUZDIMMHOJY-UHFFFAOYSA-N -1 0 347.308 2.220 20 5 EEBDRM CC(C)(C)/C=C/C(=O)OCc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603069226 1350631842 /nfs/dbraw/zinc/63/18/42/1350631842.db2.gz SIDDZQHGIAMVIP-BQYQJAHWSA-N -1 0 331.332 2.420 20 5 EEBDRM C[C@@](NC(=O)Cc1ccc(F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604276755 1350907544 /nfs/dbraw/zinc/90/75/44/1350907544.db2.gz DMXPMJVCBCNEDT-KRWDZBQOSA-N -1 0 346.314 2.393 20 5 EEBDRM C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)C(=O)[O-] ZINC001604410163 1350932275 /nfs/dbraw/zinc/93/22/75/1350932275.db2.gz ZBSPZXVIEWNCFU-SCSAIBSYSA-N -1 0 336.083 2.101 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1ccc([N+](=O)[O-])s1 ZINC001604986423 1351045941 /nfs/dbraw/zinc/04/59/41/1351045941.db2.gz OKMGHGBYIRUIAB-UHFFFAOYSA-N -1 0 329.330 2.273 20 5 EEBDRM CC[C@H](OC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC001605115968 1351080691 /nfs/dbraw/zinc/08/06/91/1351080691.db2.gz JPCHMYYPJQOXOD-CPCISQLKSA-N -1 0 329.280 2.399 20 5 EEBDRM CCCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@@H](C)C(=O)[O-] ZINC001605299729 1351129732 /nfs/dbraw/zinc/12/97/32/1351129732.db2.gz KKUDJDPQCRRCIZ-VIFPVBQESA-N -1 0 341.339 2.125 20 5 EEBDRM COC(=O)C1CCC(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001606401673 1351300985 /nfs/dbraw/zinc/30/09/85/1351300985.db2.gz ZFZTWBNTNRICNU-UHFFFAOYSA-N -1 0 336.344 2.366 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC001606560439 1351322632 /nfs/dbraw/zinc/32/26/32/1351322632.db2.gz PUCJGZNBXHPAKQ-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM COC(=O)c1cnc(NCc2ccccc2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC001606628342 1351333988 /nfs/dbraw/zinc/33/39/88/1351333988.db2.gz LPGBFBYUYYCDFF-UHFFFAOYSA-N -1 0 345.311 2.016 20 5 EEBDRM CSc1ccc(C(=O)Nc2nn(C)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001607404160 1351488409 /nfs/dbraw/zinc/48/84/09/1351488409.db2.gz XGLDEKHQZOBGIF-UHFFFAOYSA-N -1 0 336.329 2.001 20 5 EEBDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001607753860 1351552317 /nfs/dbraw/zinc/55/23/17/1351552317.db2.gz OEBAKDSTNAVBLI-OAHLLOKOSA-N -1 0 343.339 2.431 20 5 EEBDRM Cc1cccc(C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)c1[N+](=O)[O-] ZINC001607840288 1351569558 /nfs/dbraw/zinc/56/95/58/1351569558.db2.gz DPFWWKMNAJMRRL-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1ccncc1CN(C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001607898107 1351581658 /nfs/dbraw/zinc/58/16/58/1351581658.db2.gz MPYWBWCGGOBODE-UHFFFAOYSA-N -1 0 345.355 2.394 20 5 EEBDRM Cc1cnc(OCc2nc3cc(C(=O)[O-])ccc3[nH]2)c([N+](=O)[O-])c1 ZINC001607909548 1351583928 /nfs/dbraw/zinc/58/39/28/1351583928.db2.gz GDEUIZNXYXCNTN-UHFFFAOYSA-N -1 0 328.284 2.452 20 5 EEBDRM O=C([O-])c1cc(NC(=O)C[C@H]2CSCCS2)cc([N+](=O)[O-])c1 ZINC001608300170 1351666540 /nfs/dbraw/zinc/66/65/40/1351666540.db2.gz VUHDUQFSHASPBS-NSHDSACASA-N -1 0 342.398 2.470 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])nc1 ZINC001608311253 1351668388 /nfs/dbraw/zinc/66/83/88/1351668388.db2.gz IJPYFBZDOQLDPT-UHFFFAOYSA-N -1 0 330.300 2.129 20 5 EEBDRM O=C([O-])c1ccc(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC001608359525 1351678380 /nfs/dbraw/zinc/67/83/80/1351678380.db2.gz LTHWYAHPUMBNIG-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001608462841 1351700343 /nfs/dbraw/zinc/70/03/43/1351700343.db2.gz TYWWHEVLGLQTAX-WDEREUQCSA-N -1 0 346.261 2.341 20 5 EEBDRM CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001606261974 1404778332 /nfs/dbraw/zinc/77/83/32/1404778332.db2.gz ICWWKJMFOLEQDJ-YYYFKNSJSA-N -1 0 333.344 2.019 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000172659478 1405741007 /nfs/dbraw/zinc/74/10/07/1405741007.db2.gz FULQUZSXGUXVKU-SECBINFHSA-N -1 0 340.382 2.265 20 5 EEBDRM Cc1n[nH]c(C(=O)NCC2(Nc3cc(C)ccc3[N+](=O)[O-])CC2)c1[O-] ZINC001110108402 788233984 /nfs/dbraw/zinc/23/39/84/788233984.db2.gz RYIGGOLZYHBEMT-UHFFFAOYSA-N -1 0 345.359 2.015 20 5 EEBDRM CCc1ccc([C@H](O)CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000844212931 788930145 /nfs/dbraw/zinc/93/01/45/788930145.db2.gz QGDDWZFRNGDIAD-CQSZACIVSA-N -1 0 331.328 2.396 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC000844213715 788932516 /nfs/dbraw/zinc/93/25/16/788932516.db2.gz JGLZYNDIDPMHDN-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM O=C([O-])c1cnc(N2CCC(C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000844214939 788933738 /nfs/dbraw/zinc/93/37/38/788933738.db2.gz LWQNUMWMBXQSIT-UHFFFAOYSA-N -1 0 347.249 2.036 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](c3nccn3C)C2)n1 ZINC000844215691 788934897 /nfs/dbraw/zinc/93/48/97/788934897.db2.gz SIUWXODYGPDMDG-LLVKDONJSA-N -1 0 345.359 2.114 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000845507917 789821301 /nfs/dbraw/zinc/82/13/01/789821301.db2.gz RFBGLUQCAIAGHX-MGCOHNPYSA-N -1 0 344.364 2.365 20 5 EEBDRM Nc1ccccc1-c1ncn(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001174507599 797785676 /nfs/dbraw/zinc/78/56/76/797785676.db2.gz NGSHWKFIXKLKHH-UHFFFAOYSA-N -1 0 325.284 2.123 20 5 EEBDRM COc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc(C(N)=O)c1 ZINC001174505997 797785702 /nfs/dbraw/zinc/78/57/02/797785702.db2.gz XVWLWONJCIITEY-UHFFFAOYSA-N -1 0 331.284 2.144 20 5 EEBDRM COc1ccc(NCCO)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176679392 798525828 /nfs/dbraw/zinc/52/58/28/798525828.db2.gz INKPCXJCJDLKQX-UHFFFAOYSA-N -1 0 347.327 2.449 20 5 EEBDRM Cc1[nH]nc(C(=O)N(C)CCCNc2cc(C)ccc2[N+](=O)[O-])c1[O-] ZINC001109413000 805426287 /nfs/dbraw/zinc/42/62/87/805426287.db2.gz ALDWNWDRUVUUID-UHFFFAOYSA-N -1 0 347.375 2.215 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nccc3ccncc32)cs1 ZINC000790642848 808861671 /nfs/dbraw/zinc/86/16/71/808861671.db2.gz CYEFFYJSYKWQFV-UHFFFAOYSA-N -1 0 336.354 2.400 20 5 EEBDRM CC[C@@H](OC(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001589578733 948991981 /nfs/dbraw/zinc/99/19/81/948991981.db2.gz NLWCHOVIYFBUMY-MRVPVSSYSA-N -1 0 332.106 2.377 20 5 EEBDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)n1 ZINC001602843620 971673605 /nfs/dbraw/zinc/67/36/05/971673605.db2.gz JVHINWWSBOXOQJ-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C(=O)[O-] ZINC001602991855 972019847 /nfs/dbraw/zinc/01/98/47/972019847.db2.gz TXTGIYCDFHBQGN-ZDUSSCGKSA-N -1 0 335.360 2.256 20 5 EEBDRM COC(=O)c1c(Cl)c(N2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC001593868452 955607107 /nfs/dbraw/zinc/60/71/07/955607107.db2.gz ZPYNYTOKUQXNGN-UHFFFAOYSA-N -1 0 342.735 2.336 20 5 EEBDRM C[C@H](CNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001589048575 955631045 /nfs/dbraw/zinc/63/10/45/955631045.db2.gz CCBVQKCUECIOGV-BZPMIXESSA-N -1 0 349.387 2.451 20 5 EEBDRM O=C([O-])CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000848454069 955744362 /nfs/dbraw/zinc/74/43/62/955744362.db2.gz ILCRQSDVYFHTHR-UHFFFAOYSA-N -1 0 344.726 2.396 20 5 EEBDRM C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C(=O)[O-] ZINC001573727860 960422177 /nfs/dbraw/zinc/42/21/77/960422177.db2.gz ZYASBVJCBVIUHN-YGRLFVJLSA-N -1 0 345.355 2.188 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000236433763 960594031 /nfs/dbraw/zinc/59/40/31/960594031.db2.gz HRHXQJAXXRBWRP-JTQLQIEISA-N -1 0 329.150 2.406 20 5 EEBDRM CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)CC(=O)[O-] ZINC001331048869 961360258 /nfs/dbraw/zinc/36/02/58/961360258.db2.gz HPWJFUDNNRXLNA-UHFFFAOYSA-N -1 0 346.343 2.106 20 5 EEBDRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3ccccc3[N+](=O)[O-])C2)cn1 ZINC001574455078 961504415 /nfs/dbraw/zinc/50/44/15/961504415.db2.gz WBSYCTHPZBQKAO-RYUDHWBXSA-N -1 0 330.344 2.023 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)n1 ZINC001605224406 972975421 /nfs/dbraw/zinc/97/54/21/972975421.db2.gz GAPYOKAWSBXITH-ZMLRMANQSA-N -1 0 335.360 2.163 20 5 EEBDRM COC(=O)c1cc(C)nc(Nc2cccc(CC(=O)[O-])c2)c1[N+](=O)[O-] ZINC001604371513 973080277 /nfs/dbraw/zinc/08/02/77/973080277.db2.gz ICHWVEHNPMKUJP-UHFFFAOYSA-N -1 0 345.311 2.456 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001603575545 973722872 /nfs/dbraw/zinc/72/28/72/973722872.db2.gz UFUWHVGKHJNSNA-JTQLQIEISA-N -1 0 332.316 2.224 20 5 EEBDRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001592205422 977238403 /nfs/dbraw/zinc/23/84/03/977238403.db2.gz PAVFFSXRSYAZGK-BIPIGHIPSA-N -1 0 332.234 2.373 20 5 EEBDRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001592205423 977239069 /nfs/dbraw/zinc/23/90/69/977239069.db2.gz PAVFFSXRSYAZGK-KNQJERJVSA-N -1 0 332.234 2.373 20 5 EEBDRM C[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001592730604 979250244 /nfs/dbraw/zinc/25/02/44/979250244.db2.gz XWRAXOZDRJSTJL-QMMMGPOBSA-N -1 0 340.336 2.013 20 5 EEBDRM CCC(CC)(CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OC ZINC001595084169 979373521 /nfs/dbraw/zinc/37/35/21/979373521.db2.gz GGUUXDYGNUMCHR-UHFFFAOYSA-N -1 0 339.348 2.388 20 5 EEBDRM CC[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001595176134 979763415 /nfs/dbraw/zinc/76/34/15/979763415.db2.gz NIAIVVZDDLTQSG-SECBINFHSA-N -1 0 339.348 2.468 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000901515080 980331094 /nfs/dbraw/zinc/33/10/94/980331094.db2.gz KOCPCAYENALNSS-CYBMUJFWSA-N -1 0 334.250 2.195 20 5 EEBDRM CC[C@H](Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001595317268 980490047 /nfs/dbraw/zinc/49/00/47/980490047.db2.gz POWPDTBBHNIYFS-SKDRFNHKSA-N -1 0 335.360 2.398 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC001574813032 983281255 /nfs/dbraw/zinc/28/12/55/983281255.db2.gz VJJZUQHSPZOKAO-LLVKDONJSA-N -1 0 332.287 2.332 20 5 EEBDRM C[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccccc1[N+](=O)[O-] ZINC001599894107 984731343 /nfs/dbraw/zinc/73/13/43/984731343.db2.gz NXULVOQHKVGUKM-CMPLNLGQSA-N -1 0 335.360 2.456 20 5 EEBDRM C[C@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001599913746 985024164 /nfs/dbraw/zinc/02/41/64/985024164.db2.gz IBUBIECXKLJABZ-PUPMMZHASA-N -1 0 332.356 2.268 20 5 EEBDRM Cc1[nH]c(C(=O)CN2CCc3ccc([N+](=O)[O-])cc32)c(C)c1C(=O)[O-] ZINC001599947942 985560713 /nfs/dbraw/zinc/56/07/13/985560713.db2.gz VJAJTLXLPWADMI-UHFFFAOYSA-N -1 0 343.339 2.483 20 5 EEBDRM CCS(=O)(=O)CCCCCOc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001597209663 987125144 /nfs/dbraw/zinc/12/51/44/987125144.db2.gz GKNBXBKNCYCICG-UHFFFAOYSA-N -1 0 345.373 2.277 20 5 EEBDRM CC(C)(C)OC(=O)NCCSc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001590200420 989559378 /nfs/dbraw/zinc/55/93/78/989559378.db2.gz DIUVQMQRKOJEPK-UHFFFAOYSA-N -1 0 343.361 2.305 20 5 EEBDRM COc1cccnc1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599720095 991522636 /nfs/dbraw/zinc/52/26/36/991522636.db2.gz DMKLZCHCEVCZFM-UHFFFAOYSA-N -1 0 333.300 2.074 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001598502493 992453279 /nfs/dbraw/zinc/45/32/79/992453279.db2.gz YKEAXFHMUMUQQP-UHFFFAOYSA-N -1 0 335.360 2.032 20 5 EEBDRM C[C@](NC(=O)c1ccc(F)c(O)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593161616 993994029 /nfs/dbraw/zinc/99/40/29/993994029.db2.gz FNCFBEVITLMIIJ-MRXNPFEDSA-N -1 0 348.286 2.169 20 5 EEBDRM CNc1ccc(C(=O)NCc2ccc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC001598678951 994894834 /nfs/dbraw/zinc/89/48/34/994894834.db2.gz WXPJOBGNFDYQNF-UHFFFAOYSA-N -1 0 335.341 2.326 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001593766024 996444519 /nfs/dbraw/zinc/44/45/19/996444519.db2.gz FFNKXSKJASNWNJ-HNNXBMFYSA-N -1 0 342.298 2.129 20 5 EEBDRM CC1(C)CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001593882292 996713265 /nfs/dbraw/zinc/71/32/65/996713265.db2.gz OSWIAOFLLFBPCL-SECBINFHSA-N -1 0 342.373 2.150 20 5 EEBDRM COC[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)[O-] ZINC001599182968 996977573 /nfs/dbraw/zinc/97/75/73/996977573.db2.gz IXUSRZIHZJPOBE-SECBINFHSA-N -1 0 325.298 2.066 20 5 EEBDRM COc1c(O)ccc(C[N@H+](CCC(=O)[O-])CC(C)C)c1[N+](=O)[O-] ZINC001599344082 997970536 /nfs/dbraw/zinc/97/05/36/997970536.db2.gz BBRXMXCDDXOJBF-UHFFFAOYSA-N -1 0 326.349 2.242 20 5 EEBDRM C[C@]12COC[C@@H]1CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)C2 ZINC001594090981 998040797 /nfs/dbraw/zinc/04/07/97/998040797.db2.gz WGMRKWQELVGAFT-RTHLEPHNSA-N -1 0 326.736 2.419 20 5 EEBDRM COc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599569716 998345649 /nfs/dbraw/zinc/34/56/49/998345649.db2.gz SMHXLHCJTVSDHF-NWDGAFQWSA-N -1 0 336.344 2.111 20 5 EEBDRM C[C@H]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594359513 999358916 /nfs/dbraw/zinc/35/89/16/999358916.db2.gz INRZHWZGFTYLSS-UWVGGRQHSA-N -1 0 342.373 2.008 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000054297572 214230516 /nfs/dbraw/zinc/23/05/16/214230516.db2.gz SGEWFRXGBUQHBF-MRVPVSSYSA-N -1 0 344.165 2.443 20 5 EEBDRM O=C([O-])C[C@@H]1CSCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261631462 304080553 /nfs/dbraw/zinc/08/05/53/304080553.db2.gz HRRRNJRMKXLWLW-SECBINFHSA-N -1 0 344.776 2.281 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCCC[C@@H]1c1ncon1 ZINC000189609371 237070590 /nfs/dbraw/zinc/07/05/90/237070590.db2.gz YMBWBUSKJDBVQC-GFCCVEGCSA-N -1 0 332.316 2.441 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000262934038 245258459 /nfs/dbraw/zinc/25/84/59/245258459.db2.gz HEAQKHHUUXVDSA-BMIGLBTASA-N -1 0 347.371 2.494 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000262104070 299567684 /nfs/dbraw/zinc/56/76/84/299567684.db2.gz JHSFZPCQQGHFHA-WCBMZHEXSA-N -1 0 342.735 2.091 20 5 EEBDRM O=C(NCCOc1ncccc1Cl)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164943950 255811691 /nfs/dbraw/zinc/81/16/91/255811691.db2.gz XYEJDWNVNMQOIZ-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM CC(C)(C)OC(=O)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000270396231 256130907 /nfs/dbraw/zinc/13/09/07/256130907.db2.gz IYCKUJOUMIPAHX-UHFFFAOYSA-N -1 0 325.321 2.154 20 5 EEBDRM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000271743177 256240093 /nfs/dbraw/zinc/24/00/93/256240093.db2.gz XLZUGACECYOSBR-GXFFZTMASA-N -1 0 346.380 2.216 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000262524186 152288899 /nfs/dbraw/zinc/28/88/99/152288899.db2.gz RIBUKTNSFKJSII-UHFFFAOYSA-N -1 0 348.311 2.475 20 5 EEBDRM CCC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C(=O)[O-] ZINC000263566641 160472679 /nfs/dbraw/zinc/47/26/79/160472679.db2.gz WTLBCHFWAZMJIT-ZDUSSCGKSA-N -1 0 335.360 2.496 20 5 EEBDRM C[S@](=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000132460951 292401142 /nfs/dbraw/zinc/40/11/42/292401142.db2.gz RCQLEMWRAUKWIR-RKNYENMMSA-N -1 0 348.380 2.150 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000089531480 159182798 /nfs/dbraw/zinc/18/27/98/159182798.db2.gz CRCPHDQDDYOTRF-SNVBAGLBSA-N -1 0 333.344 2.030 20 5 EEBDRM O=C(Nc1ccn(Cc2ccncc2)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000195455380 160213366 /nfs/dbraw/zinc/21/33/66/160213366.db2.gz BFISONYTXWMGAJ-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s[n-]1 ZINC000338924083 160812229 /nfs/dbraw/zinc/81/22/29/160812229.db2.gz GJDYMJPXXQAPTO-ZCFIWIBFSA-N -1 0 342.764 2.481 20 5 EEBDRM C[NH+](C)[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000355377547 163168592 /nfs/dbraw/zinc/16/85/92/163168592.db2.gz CLMHTXHRHNAJEY-MRXNPFEDSA-N -1 0 343.383 2.203 20 5 EEBDRM CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356233153 163373682 /nfs/dbraw/zinc/37/36/82/163373682.db2.gz ZGHYWJARZQLPTE-CQSZACIVSA-N -1 0 344.323 2.212 20 5 EEBDRM CCCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC)C(=O)[O-] ZINC000359088508 164056006 /nfs/dbraw/zinc/05/60/06/164056006.db2.gz PHQDQVAZRBAPOH-GFCCVEGCSA-N -1 0 344.389 2.079 20 5 EEBDRM Cc1n[nH]cc1-c1nnc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000376144555 167270919 /nfs/dbraw/zinc/27/09/19/167270919.db2.gz PFDGOWUWTWJIDD-UHFFFAOYSA-N -1 0 346.328 2.103 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000292434660 275427457 /nfs/dbraw/zinc/42/74/57/275427457.db2.gz DNVLXJYCILZVGP-CABCVRRESA-N -1 0 332.356 2.474 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000281709829 292779835 /nfs/dbraw/zinc/77/98/35/292779835.db2.gz QDYZBPXKCIYRID-QMMMGPOBSA-N -1 0 338.307 2.448 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000237654070 297882576 /nfs/dbraw/zinc/88/25/76/297882576.db2.gz SKMBKAYYPZCNOA-QGZVFWFLSA-N -1 0 347.371 2.132 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000325992101 311603039 /nfs/dbraw/zinc/60/30/39/311603039.db2.gz DBAXTXVKLOBVNM-UMULGLEVSA-N -1 0 330.340 2.320 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000416440331 313224212 /nfs/dbraw/zinc/22/42/12/313224212.db2.gz CWGVGGLVQXOJTL-RISCZKNCSA-N -1 0 335.360 2.025 20 5 EEBDRM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(F)c([O-])c(F)c1 ZINC000436534883 314972195 /nfs/dbraw/zinc/97/21/95/314972195.db2.gz IXJWKOYVZGBOOA-UHFFFAOYSA-N -1 0 337.282 2.421 20 5 EEBDRM O=C(NCc1ccc(OCC2CC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436669732 314986494 /nfs/dbraw/zinc/98/64/94/314986494.db2.gz MYQOXVBFOJZKGH-UHFFFAOYSA-N -1 0 343.339 2.414 20 5 EEBDRM CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1CO ZINC000437000228 315022180 /nfs/dbraw/zinc/02/21/80/315022180.db2.gz SUVVYONDOJXAOE-UHFFFAOYSA-N -1 0 332.312 2.444 20 5 EEBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccco3)n[nH]2)c1 ZINC000437650793 315045260 /nfs/dbraw/zinc/04/52/60/315045260.db2.gz NDLKYNWEXPHNQX-UHFFFAOYSA-N -1 0 334.313 2.379 20 5 EEBDRM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1[O-] ZINC000444645951 315314076 /nfs/dbraw/zinc/31/40/76/315314076.db2.gz RIAYIQWJQPPKNS-UHFFFAOYSA-N -1 0 330.275 2.246 20 5 EEBDRM COC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000495630648 316028769 /nfs/dbraw/zinc/02/87/69/316028769.db2.gz GFKQBHGXIJIGIK-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(F)c1F ZINC000534304726 317939038 /nfs/dbraw/zinc/93/90/38/317939038.db2.gz ROAMYBBDKPLGBA-QMMMGPOBSA-N -1 0 343.311 2.308 20 5 EEBDRM CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cn1 ZINC000541150232 318093312 /nfs/dbraw/zinc/09/33/12/318093312.db2.gz QQZCJSGNYBIPES-UHFFFAOYSA-N -1 0 331.284 2.124 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c([N+](=O)[O-])n1 ZINC000548149561 318359758 /nfs/dbraw/zinc/35/97/58/318359758.db2.gz GJUYPMKWZQGDGJ-UHFFFAOYSA-N -1 0 335.345 2.093 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000563135516 318976389 /nfs/dbraw/zinc/97/63/89/318976389.db2.gz MPXHXGDCQJXSAX-LBPRGKRZSA-N -1 0 345.421 2.439 20 5 EEBDRM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000566066433 319240160 /nfs/dbraw/zinc/24/01/60/319240160.db2.gz SFIQODBIWVKVRI-NXEZZACHSA-N -1 0 342.373 2.150 20 5 EEBDRM O=C(NCCCCn1ccnc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566268335 319266803 /nfs/dbraw/zinc/26/68/03/319266803.db2.gz SZVVOOGSDXAJBK-UHFFFAOYSA-N -1 0 338.751 2.361 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H](O)C[C@H]2c2ccccc2)n1 ZINC000567113899 319349884 /nfs/dbraw/zinc/34/98/84/319349884.db2.gz WMKYOKZWWCBGDT-JSGCOSHPSA-N -1 0 343.339 2.309 20 5 EEBDRM C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C(C)(C)C1 ZINC000567265265 319364915 /nfs/dbraw/zinc/36/49/15/319364915.db2.gz HPEUWBWKXWYSFV-SECBINFHSA-N -1 0 342.373 2.102 20 5 EEBDRM CCCC[C@H](NS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000567270855 319365409 /nfs/dbraw/zinc/36/54/09/319365409.db2.gz QXEHSBVOWIVQQO-LBPRGKRZSA-N -1 0 344.389 2.079 20 5 EEBDRM Cc1cc(N2CCc3nc(C)ncc3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567616670 319397554 /nfs/dbraw/zinc/39/75/54/319397554.db2.gz JABWCTVEZMUWQZ-UHFFFAOYSA-N -1 0 328.328 2.263 20 5 EEBDRM COc1cccc2c1C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000567978998 319440953 /nfs/dbraw/zinc/44/09/53/319440953.db2.gz ZKFFNJYDPLDEEO-SNVBAGLBSA-N -1 0 329.312 2.276 20 5 EEBDRM C[C@@H](O)[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000570047127 319631704 /nfs/dbraw/zinc/63/17/04/319631704.db2.gz QIIWFHXVRPIEDB-BDAKNGLRSA-N -1 0 328.752 2.187 20 5 EEBDRM Cc1cc(N2CCC[C@H](n3ccnn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572647273 319865189 /nfs/dbraw/zinc/86/51/89/319865189.db2.gz HFWMPHQCKGIJSU-NSHDSACASA-N -1 0 331.332 2.034 20 5 EEBDRM Cn1nc([C@H]2CCCO2)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000572689519 319867669 /nfs/dbraw/zinc/86/76/69/319867669.db2.gz SSMFZBPMMOVBHJ-GFCCVEGCSA-N -1 0 332.316 2.138 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(Oc3cnccn3)CC2)c1 ZINC000574279946 320012225 /nfs/dbraw/zinc/01/22/25/320012225.db2.gz CQVVKZYAQSVEPH-UHFFFAOYSA-N -1 0 344.327 2.131 20 5 EEBDRM Cc1cc(N2CCC[C@@H](n3cncn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578445681 320315145 /nfs/dbraw/zinc/31/51/45/320315145.db2.gz OBWSGYXFPKXOBT-LLVKDONJSA-N -1 0 331.332 2.034 20 5 EEBDRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000517738775 448611706 /nfs/dbraw/zinc/61/17/06/448611706.db2.gz AJNWKGJLAUXADR-OLZOCXBDSA-N -1 0 344.327 2.280 20 5 EEBDRM Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000336866348 465059755 /nfs/dbraw/zinc/05/97/55/465059755.db2.gz MJXYDYCBMYNGJV-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM O=C([O-])Cc1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000336877822 465071707 /nfs/dbraw/zinc/07/17/07/465071707.db2.gz XEJODBQQPBKJDJ-UHFFFAOYSA-N -1 0 330.296 2.239 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](OCc2ccncc2)C1 ZINC000339145571 465107316 /nfs/dbraw/zinc/10/73/16/465107316.db2.gz LUZWNKXQJJLTFW-INIZCTEOSA-N -1 0 329.356 2.487 20 5 EEBDRM CC(C)(C)c1nc(=NC(=O)Cc2ccc([N+](=O)[O-])cc2F)s[n-]1 ZINC000358419914 465111887 /nfs/dbraw/zinc/11/18/87/465111887.db2.gz JOZGNLXUVRUMPA-UHFFFAOYSA-N -1 0 338.364 2.486 20 5 EEBDRM CN(C)c1noc([C@@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000339157468 465114100 /nfs/dbraw/zinc/11/41/00/465114100.db2.gz IEUFQWYELHGLEY-LLVKDONJSA-N -1 0 347.375 2.129 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000590638154 468293568 /nfs/dbraw/zinc/29/35/68/468293568.db2.gz GBTHZOMNBZLXNZ-BIMULSAOSA-N -1 0 338.385 2.445 20 5 EEBDRM O=c1[n-]c(CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)n[nH]1 ZINC000090101824 462776127 /nfs/dbraw/zinc/77/61/27/462776127.db2.gz ZDVDRVWFSWKBQW-UHFFFAOYSA-N -1 0 340.343 2.113 20 5 EEBDRM CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000156668467 463055262 /nfs/dbraw/zinc/05/52/62/463055262.db2.gz ULIUNKNGTDWSSZ-XMMPIXPASA-N -1 0 348.380 2.310 20 5 EEBDRM Cc1nc(N(C)Cc2nc(=O)c3sccc3[n-]2)ccc1[N+](=O)[O-] ZINC000095944836 463111197 /nfs/dbraw/zinc/11/11/97/463111197.db2.gz XESREDXZBOUIDL-UHFFFAOYSA-N -1 0 331.357 2.233 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1C ZINC000161264172 463414670 /nfs/dbraw/zinc/41/46/70/463414670.db2.gz UFAXJXNTHRAOCU-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nn1C ZINC000161562518 463439177 /nfs/dbraw/zinc/43/91/77/463439177.db2.gz CSIWLLDUGGMNAJ-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164163306 463616439 /nfs/dbraw/zinc/61/64/39/463616439.db2.gz WCMPEWZYUCSSSA-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM C[S@](=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000194639354 463900928 /nfs/dbraw/zinc/90/09/28/463900928.db2.gz JAASZAWWADRNJV-NRFANRHFSA-N -1 0 340.382 2.133 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CC(=O)[O-])cc1SC ZINC000262221877 463976836 /nfs/dbraw/zinc/97/68/36/463976836.db2.gz ZHROGPFQLYPWMN-QMMMGPOBSA-N -1 0 342.373 2.166 20 5 EEBDRM O=C(NCc1ccc(-n2cccn2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179429407 464134752 /nfs/dbraw/zinc/13/47/52/464134752.db2.gz ALNXWMSWCCXVLF-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cccc2[nH]cnc21 ZINC000180815085 464401430 /nfs/dbraw/zinc/40/14/30/464401430.db2.gz FGUGNHYSTXLHIC-UHFFFAOYSA-N -1 0 332.341 2.413 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000238078886 464430858 /nfs/dbraw/zinc/43/08/58/464430858.db2.gz TZMYPUPJFAVBRG-NSHDSACASA-N -1 0 333.344 2.106 20 5 EEBDRM CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000182083434 464567785 /nfs/dbraw/zinc/56/77/85/464567785.db2.gz VBPWLRQGIVMMIE-DRNJLYFOSA-N -1 0 340.401 2.110 20 5 EEBDRM CC(C)Oc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccn1 ZINC000182151076 464583972 /nfs/dbraw/zinc/58/39/72/464583972.db2.gz SJEBIJUUWSDQGW-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM O=C(NCc1ccccc1-n1ccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182182751 464593056 /nfs/dbraw/zinc/59/30/56/464593056.db2.gz ZHKJDELBHXDNLX-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000190823587 464726237 /nfs/dbraw/zinc/72/62/37/464726237.db2.gz KBOIEXYMFYNEFJ-ISVAXAHUSA-N -1 0 328.752 2.406 20 5 EEBDRM CC[C@](NC(=O)c1ccc([N+](=O)[O-])cn1)(C(=O)[O-])c1ccccc1 ZINC000569182245 468450357 /nfs/dbraw/zinc/45/03/57/468450357.db2.gz WRTHULBNHOJZKP-MRXNPFEDSA-N -1 0 329.312 2.110 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000357355345 465973971 /nfs/dbraw/zinc/97/39/71/465973971.db2.gz ILYQZTXSSMBTJI-UHFFFAOYSA-N -1 0 337.357 2.362 20 5 EEBDRM O=C([O-])c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000357433224 466033217 /nfs/dbraw/zinc/03/32/17/466033217.db2.gz CZZFCZSGXPXVAI-UHFFFAOYSA-N -1 0 326.308 2.492 20 5 EEBDRM Cc1nc(N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000569344267 468476207 /nfs/dbraw/zinc/47/62/07/468476207.db2.gz CIJOBRAILPBQMH-WFASDCNBSA-N -1 0 335.360 2.004 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cn1 ZINC000349945740 466322574 /nfs/dbraw/zinc/32/25/74/466322574.db2.gz HUEFYDVGHDMYTI-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000350078448 466376482 /nfs/dbraw/zinc/37/64/82/466376482.db2.gz RWBOSXPRCPHXIS-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367702916 466504526 /nfs/dbraw/zinc/50/45/26/466504526.db2.gz DXIZDMXUAYXISD-KRWDZBQOSA-N -1 0 346.314 2.173 20 5 EEBDRM C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000322280643 466631300 /nfs/dbraw/zinc/63/13/00/466631300.db2.gz NPTBYHBEVSWBJX-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000322866297 466635370 /nfs/dbraw/zinc/63/53/70/466635370.db2.gz DQJGFGZDMGAXAX-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cnn1C1CCOCC1 ZINC000452687080 467408875 /nfs/dbraw/zinc/40/88/75/467408875.db2.gz QEWTYWUACYAZDE-UHFFFAOYSA-N -1 0 346.343 2.409 20 5 EEBDRM CN(CC(=O)[O-])C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000431173271 467500018 /nfs/dbraw/zinc/50/00/18/467500018.db2.gz POQLVZRNCNJRHH-UHFFFAOYSA-N -1 0 346.289 2.116 20 5 EEBDRM Cn1nc(-c2ccncc2)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436796229 467554527 /nfs/dbraw/zinc/55/45/27/467554527.db2.gz VDSFBHCDWHHHGO-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])CC2 ZINC000436795080 467554535 /nfs/dbraw/zinc/55/45/35/467554535.db2.gz XPKYJMHPSUWVNK-GFCCVEGCSA-N -1 0 344.371 2.365 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C/c2ccc[nH]2)cc([N+](=O)[O-])c1C ZINC000492822926 467763995 /nfs/dbraw/zinc/76/39/95/467763995.db2.gz LQSJWKOJISRIQW-AATRIKPKSA-N -1 0 349.368 2.058 20 5 EEBDRM O=C([O-])CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000493583721 467942064 /nfs/dbraw/zinc/94/20/64/467942064.db2.gz LVTRKWZUXKQYLL-AATRIKPKSA-N -1 0 348.355 2.090 20 5 EEBDRM COc1c(F)cc(S(=O)(=O)[N-]c2ccccc2O)cc1[N+](=O)[O-] ZINC000488219002 468077934 /nfs/dbraw/zinc/07/79/34/468077934.db2.gz QLZKCOHTJLZMOU-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM CC(C)SCC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875757 468673147 /nfs/dbraw/zinc/67/31/47/468673147.db2.gz MTQDADAVJYTNRR-AWEZNQCLSA-N -1 0 326.374 2.152 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC2([C@H](C)CCO)CCC2)n1 ZINC000570685979 468677403 /nfs/dbraw/zinc/67/74/03/468677403.db2.gz COIQRXIVIXMZDC-SNVBAGLBSA-N -1 0 337.376 2.597 20 5 EEBDRM O=C(NCc1cccnc1N1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000597940273 468717910 /nfs/dbraw/zinc/71/79/10/468717910.db2.gz HFCMYEZLKJKMKB-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM CC(C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000571094683 468738267 /nfs/dbraw/zinc/73/82/67/468738267.db2.gz SYNWZGRKRVXCPJ-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM CC[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000571321468 468772110 /nfs/dbraw/zinc/77/21/10/468772110.db2.gz ZGFZWYMSFZDPOO-JTQLQIEISA-N -1 0 342.373 2.246 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCc2ncncc2C1 ZINC000592783696 468785067 /nfs/dbraw/zinc/78/50/67/468785067.db2.gz PHLFSDKWKBIUAP-MRVPVSSYSA-N -1 0 348.746 2.487 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)Cc2nccn2C(F)F)n1 ZINC000571449276 468791367 /nfs/dbraw/zinc/79/13/67/468791367.db2.gz PQAIMGYFCYYBNU-UHFFFAOYSA-N -1 0 341.274 2.224 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000595246310 468792040 /nfs/dbraw/zinc/79/20/40/468792040.db2.gz ZBVAPFNPRMUUNV-RWMBFGLXSA-N -1 0 335.360 2.039 20 5 EEBDRM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000560480668 468816798 /nfs/dbraw/zinc/81/67/98/468816798.db2.gz FHIYJOZTBITXKO-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM CO[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000595366027 468826914 /nfs/dbraw/zinc/82/69/14/468826914.db2.gz REZPHPZNJMATKQ-ZDUSSCGKSA-N -1 0 346.380 2.217 20 5 EEBDRM COc1nc(C)cc(C)c1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592970918 468830962 /nfs/dbraw/zinc/83/09/62/468830962.db2.gz SQYRPUSPNMTRGP-UHFFFAOYSA-N -1 0 346.343 2.629 20 5 EEBDRM Cc1cc(N2CCc3nc(C)ncc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969293 468831379 /nfs/dbraw/zinc/83/13/79/468831379.db2.gz RTINEEYSOYTPFZ-UHFFFAOYSA-N -1 0 328.328 2.263 20 5 EEBDRM CCOc1ccc(C(=O)N(CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC000598658327 468948809 /nfs/dbraw/zinc/94/88/09/468948809.db2.gz IQEOCVWDAYELKA-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM O=C(NCc1nnc(C2CC2)o1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000572884211 469015294 /nfs/dbraw/zinc/01/52/94/469015294.db2.gz ZRJDAKOWHGZOBC-UHFFFAOYSA-N -1 0 338.707 2.144 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000595972362 469102694 /nfs/dbraw/zinc/10/26/94/469102694.db2.gz AZXJZDOAGSKMJE-AAEUAGOBSA-N -1 0 349.387 2.423 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H](O)[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000595979818 469105276 /nfs/dbraw/zinc/10/52/76/469105276.db2.gz VBVBAOFEJIZGOK-DQBIJJQNSA-N -1 0 334.250 2.250 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)NCC2CCCCC2)cc1[N+](=O)[O-] ZINC000563075553 469162482 /nfs/dbraw/zinc/16/24/82/469162482.db2.gz WWZDPYPTBPICFL-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM CS(=O)(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])c([O-])c3)nc2c1 ZINC000611145874 469173711 /nfs/dbraw/zinc/17/37/11/469173711.db2.gz YNZJRSOMDGSZRH-UHFFFAOYSA-N -1 0 333.325 2.247 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000574043757 469251969 /nfs/dbraw/zinc/25/19/69/469251969.db2.gz RTYIUWVLODJCDL-ZJUUUORDSA-N -1 0 348.277 2.290 20 5 EEBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000611478600 469257367 /nfs/dbraw/zinc/25/73/67/469257367.db2.gz NMZGBZMXXGPGRY-LBPRGKRZSA-N -1 0 349.387 2.356 20 5 EEBDRM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611559635 469279878 /nfs/dbraw/zinc/27/98/78/469279878.db2.gz UABCTDPWGOYDIJ-ZBEGNZNMSA-N -1 0 330.340 2.195 20 5 EEBDRM Cn1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000612773140 469546785 /nfs/dbraw/zinc/54/67/85/469546785.db2.gz RFGDVYOSCSAUBT-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM Cc1ccccc1[C@@H](O)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738318897 578009236 /nfs/dbraw/zinc/00/92/36/578009236.db2.gz BCCHSSVRJXNHED-HNNXBMFYSA-N -1 0 344.323 2.065 20 5 EEBDRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c(N)c([N+](=O)[O-])c1 ZINC000738339695 578010139 /nfs/dbraw/zinc/01/01/39/578010139.db2.gz WRCFOYVZSJHONV-UHFFFAOYSA-N -1 0 345.311 2.201 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccsc1C(=O)[O-] ZINC000738479410 578016656 /nfs/dbraw/zinc/01/66/56/578016656.db2.gz PJKZTKPEOYRQDJ-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Nc1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000739205444 576169131 /nfs/dbraw/zinc/16/91/31/576169131.db2.gz RMTSSMZUSAUDHC-UHFFFAOYSA-N -1 0 330.300 2.197 20 5 EEBDRM CCOC(=O)[C@@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000739260036 576203809 /nfs/dbraw/zinc/20/38/09/576203809.db2.gz GDKZWPYMDAWRNQ-CYBMUJFWSA-N -1 0 332.312 2.254 20 5 EEBDRM CC(C)[C@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000774082065 577382030 /nfs/dbraw/zinc/38/20/30/577382030.db2.gz ANZZGOHDIKPYGG-SKDRFNHKSA-N -1 0 332.403 2.143 20 5 EEBDRM C[C@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000753799787 577793918 /nfs/dbraw/zinc/79/39/18/577793918.db2.gz TVZZEVWXAATWNT-GJSJWPQCSA-N -1 0 338.385 2.287 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738888580 578030055 /nfs/dbraw/zinc/03/00/55/578030055.db2.gz NDIJHYBISCBZDI-ZDUSSCGKSA-N -1 0 334.259 2.420 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000739337459 578048946 /nfs/dbraw/zinc/04/89/46/578048946.db2.gz HXIVVSJADKZYRK-UHFFFAOYSA-N -1 0 338.385 2.447 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000739556343 578058268 /nfs/dbraw/zinc/05/82/68/578058268.db2.gz HEBRDFYIAUKSIZ-IUCAKERBSA-N -1 0 344.117 2.121 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000739622423 578061346 /nfs/dbraw/zinc/06/13/46/578061346.db2.gz BDUPZJRQBJVIRZ-CJHWANRJSA-N -1 0 334.250 2.418 20 5 EEBDRM CC(=O)c1[nH]c(CC(=O)Oc2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC000736174674 578184349 /nfs/dbraw/zinc/18/43/49/578184349.db2.gz BENLTJNPVGMERR-UHFFFAOYSA-N -1 0 346.295 2.280 20 5 EEBDRM CC1(C)COCCN1CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736736318 578221273 /nfs/dbraw/zinc/22/12/73/578221273.db2.gz BVJDEDXHYDGWDB-GQCTYLIASA-N -1 0 349.387 2.215 20 5 EEBDRM CCC[C@](C)(O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736958471 578231146 /nfs/dbraw/zinc/23/11/46/578231146.db2.gz DPPPMYCNYMLRIM-ZDUSSCGKSA-N -1 0 327.293 2.164 20 5 EEBDRM COc1ccc(C(=O)N(CC(=O)[O-])c2cccc(C)n2)cc1[N+](=O)[O-] ZINC000737921588 578243701 /nfs/dbraw/zinc/24/37/01/578243701.db2.gz YDGJBYMFRVCDFE-UHFFFAOYSA-N -1 0 345.311 2.038 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1nccnc1-c1nnn[n-]1 ZINC000737265046 578246902 /nfs/dbraw/zinc/24/69/02/578246902.db2.gz RZPOIFVPBTZROD-UHFFFAOYSA-N -1 0 333.695 2.319 20 5 EEBDRM CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000737399476 578255004 /nfs/dbraw/zinc/25/50/04/578255004.db2.gz KLFDKTMHNUJSSD-MRXNPFEDSA-N -1 0 343.339 2.291 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CS[C@H](C)CC(=O)[O-] ZINC000737905599 578272554 /nfs/dbraw/zinc/27/25/54/578272554.db2.gz NSADAXFJUHCYMQ-MRVPVSSYSA-N -1 0 328.346 2.138 20 5 EEBDRM COc1ccc(CC(=O)OCc2cc(C(=O)[O-])oc2C)cc1[N+](=O)[O-] ZINC000737984035 578275420 /nfs/dbraw/zinc/27/54/20/578275420.db2.gz FEHGMHSPAHOTJJ-UHFFFAOYSA-N -1 0 349.295 2.489 20 5 EEBDRM Cc1nccn1CCCNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000833010791 600815238 /nfs/dbraw/zinc/81/52/38/600815238.db2.gz MCTCRVIGPMUKRJ-UHFFFAOYSA-N -1 0 349.303 2.208 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000833009714 601076036 /nfs/dbraw/zinc/07/60/36/601076036.db2.gz QHNZFHJGKCSPIW-CYBMUJFWSA-N -1 0 334.259 2.420 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000833111795 601184198 /nfs/dbraw/zinc/18/41/98/601184198.db2.gz GLACQTOXOSWHAU-VXGBXAGGSA-N -1 0 335.312 2.212 20 5 EEBDRM COc1ccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC000832336482 602208063 /nfs/dbraw/zinc/20/80/63/602208063.db2.gz UBFOZAOYKGRYHE-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM Nc1c(C(=O)OCCOc2cccc(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000833090092 602267755 /nfs/dbraw/zinc/26/77/55/602267755.db2.gz BAUMENPFTMSAGZ-UHFFFAOYSA-N -1 0 346.295 2.111 20 5 EEBDRM Cc1nc(NC(=O)c2ccc(OCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000833002230 602398173 /nfs/dbraw/zinc/39/81/73/602398173.db2.gz PZANLBMWSTUEME-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000827007026 604392848 /nfs/dbraw/zinc/39/28/48/604392848.db2.gz RVGUIDWMVSBBFJ-GFCCVEGCSA-N -1 0 344.751 2.198 20 5 EEBDRM CC1(C)CC[C@@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833558638 604550010 /nfs/dbraw/zinc/55/00/10/604550010.db2.gz LNXANKRJZXRDAY-LLVKDONJSA-N -1 0 335.360 2.400 20 5 EEBDRM O=C([O-])CCc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000833244161 604724903 /nfs/dbraw/zinc/72/49/03/604724903.db2.gz UUHXDMLQWQAEDF-UHFFFAOYSA-N -1 0 339.304 2.460 20 5 EEBDRM CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1C(=O)[O-] ZINC000833685916 605503103 /nfs/dbraw/zinc/50/31/03/605503103.db2.gz KGYVHFOLNZVKIO-UHFFFAOYSA-N -1 0 344.279 2.298 20 5 EEBDRM CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000121873498 678638462 /nfs/dbraw/zinc/63/84/62/678638462.db2.gz ZPGHAYXRZRHDAX-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000174767911 683694261 /nfs/dbraw/zinc/69/42/61/683694261.db2.gz DTLDTFPDRSJWGZ-UHFFFAOYSA-N -1 0 340.336 2.141 20 5 EEBDRM C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[C@H]1C(=O)[O-] ZINC000863734196 1197843571 /nfs/dbraw/zinc/84/35/71/1197843571.db2.gz LNIOOTZMHDSLPZ-MWLCHTKSSA-N -1 0 333.344 2.027 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1(F)CCCCC1 ZINC000810535245 1199572839 /nfs/dbraw/zinc/57/28/39/1199572839.db2.gz HBTWZWZJJVPVJG-UHFFFAOYSA-N -1 0 344.364 2.381 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000127252246 1200598679 /nfs/dbraw/zinc/59/86/79/1200598679.db2.gz XJUPXYOEZFZDLL-UHFFFAOYSA-N -1 0 326.374 2.296 20 5 EEBDRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000131067560 1202018099 /nfs/dbraw/zinc/01/80/99/1202018099.db2.gz ONNCTNNASLIKGC-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM CC(C)(C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)n1cc([N+](=O)[O-])cn1 ZINC000221916623 1204217792 /nfs/dbraw/zinc/21/77/92/1204217792.db2.gz XJUDNPSVRUREIW-YVMONPNESA-N -1 0 344.327 2.263 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](Cc2nccs2)C1 ZINC000890218350 1204809357 /nfs/dbraw/zinc/80/93/57/1204809357.db2.gz WEZKBKHQNSRFRW-SNVBAGLBSA-N -1 0 333.369 2.462 20 5 EEBDRM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000800403319 1234106475 /nfs/dbraw/zinc/10/64/75/1234106475.db2.gz IZEWFRVUGODUFA-SECBINFHSA-N -1 0 332.353 2.365 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@](O)(c2ccccc2)C1 ZINC000862801857 1295968713 /nfs/dbraw/zinc/96/87/13/1295968713.db2.gz BPPTYGWWWHKIPQ-GOSISDBHSA-N -1 0 342.351 2.424 20 5 EEBDRM O=[N+]([O-])c1cccc([O-])c1-c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001216846869 1297312028 /nfs/dbraw/zinc/31/20/28/1297312028.db2.gz CUZKNXYBLSWRMF-UHFFFAOYSA-N -1 0 347.218 2.460 20 5 EEBDRM O=[N+]([O-])c1ccc([C@@H](OCC[P@](=O)([O-])O)C(F)(F)F)cc1 ZINC001224603490 1300666114 /nfs/dbraw/zinc/66/61/14/1300666114.db2.gz YYWSSDVAGXCUPN-SECBINFHSA-N -1 0 329.167 2.393 20 5 EEBDRM CCC[C@H](Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-])C(C)C ZINC001226021667 1301235654 /nfs/dbraw/zinc/23/56/54/1301235654.db2.gz TUOSHRAMSYYPCX-VIFPVBQESA-N -1 0 327.337 2.471 20 5 EEBDRM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227097038 1301685984 /nfs/dbraw/zinc/68/59/84/1301685984.db2.gz WKFSJTSIHOXUIG-MFKMUULPSA-N -1 0 347.327 2.354 20 5 EEBDRM O=c1nc2ncsc2c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[n-]1 ZINC001227607492 1301907529 /nfs/dbraw/zinc/90/75/29/1301907529.db2.gz JVFVZEMXVYCIRM-JTQLQIEISA-N -1 0 330.325 2.246 20 5 EEBDRM COc1ccc([C@@H](C)Oc2nc(SC)[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC001227625454 1301914048 /nfs/dbraw/zinc/91/40/48/1301914048.db2.gz XMQYMCGBBGAFMT-SSDOTTSWSA-N -1 0 338.345 2.356 20 5 EEBDRM COc1ccc([C@H](C)Oc2nc(SC)[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC001227625455 1301914358 /nfs/dbraw/zinc/91/43/58/1301914358.db2.gz XMQYMCGBBGAFMT-ZETCQYMHSA-N -1 0 338.345 2.356 20 5 EEBDRM CCCCOC(=O)[C@@H](C)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228603452 1302331937 /nfs/dbraw/zinc/33/19/37/1302331937.db2.gz JNCWIRQYIPJTQF-MRVPVSSYSA-N -1 0 325.321 2.078 20 5 EEBDRM COC(=O)c1ccc([C@H](C)Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001229376092 1302752292 /nfs/dbraw/zinc/75/22/92/1302752292.db2.gz PTTUMNZFUUBZPJ-QMMMGPOBSA-N -1 0 333.300 2.325 20 5 EEBDRM CCCSc1nc(OC[C@H]2COC(C)(C)O2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229797316 1302948431 /nfs/dbraw/zinc/94/84/31/1302948431.db2.gz XHHPCHXVVWBWJZ-QMMMGPOBSA-N -1 0 345.377 2.123 20 5 EEBDRM O=C([O-])C[C@H](O)C(=O)Oc1c2c(O)cccc2cc2cccc(O)c21 ZINC001230761463 1303436610 /nfs/dbraw/zinc/43/66/10/1303436610.db2.gz SMHXCTCYPPOWGT-ZDUSSCGKSA-N -1 0 342.303 2.145 20 5 EEBDRM Cc1ccc2c(c1)nc(=O)[n-]c2O[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001230889811 1303526746 /nfs/dbraw/zinc/52/67/46/1303526746.db2.gz WXJVEHJZMUBBKQ-CQSZACIVSA-N -1 0 326.312 2.436 20 5 EEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000835749139 1314945887 /nfs/dbraw/zinc/94/58/87/1314945887.db2.gz ZEXRBRXSZCIOPA-MDZLAQPJSA-N -1 0 338.385 2.151 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@@]1(O)CCc2ccccc2C1 ZINC000837715599 1315104967 /nfs/dbraw/zinc/10/49/67/1315104967.db2.gz SRDQZTGAJMUKPY-GOSISDBHSA-N -1 0 343.335 2.264 20 5 EEBDRM Cc1ccc(-c2ccc(N[C@@H]3SC(=O)[N-]C3=O)nn2)cc1[N+](=O)[O-] ZINC001155841293 1317760002 /nfs/dbraw/zinc/76/00/02/1317760002.db2.gz FRMWBQHNPWGYSQ-CYBMUJFWSA-N -1 0 345.340 2.081 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001601213765 1350232786 /nfs/dbraw/zinc/23/27/86/1350232786.db2.gz LNFLDWVEAOSCGG-GFCCVEGCSA-N -1 0 339.323 2.079 20 5 EEBDRM O=C([O-])c1nn(CC(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC001601383125 1350270842 /nfs/dbraw/zinc/27/08/42/1350270842.db2.gz IBKBAEYLZUQVHO-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(c3c(Br)cccc3[N+](=O)[O-])C[C@@H]21 ZINC001602206309 1350465497 /nfs/dbraw/zinc/46/54/97/1350465497.db2.gz JHKTXWCNLYRAKD-MTBHXBHISA-N -1 0 327.134 2.124 20 5 EEBDRM COc1ccc(C(=O)[O-])cc1CSCCn1cc([N+](=O)[O-])cn1 ZINC001607217093 1351451408 /nfs/dbraw/zinc/45/14/08/1351451408.db2.gz LLMYPVIFZWLPAM-UHFFFAOYSA-N -1 0 337.357 2.432 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC001608905729 1351790848 /nfs/dbraw/zinc/79/08/48/1351790848.db2.gz OROMLTXWLBHRPW-AWEZNQCLSA-N -1 0 345.263 2.038 20 5 EEBDRM C[C@H](CO)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001320711972 1332938787 /nfs/dbraw/zinc/93/87/87/1332938787.db2.gz VKRFHVCULRLXFS-GFCCVEGCSA-N -1 0 330.340 2.324 20 5 EEBDRM O=C([O-])c1cc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c[nH]1 ZINC001609026189 1351818535 /nfs/dbraw/zinc/81/85/35/1351818535.db2.gz RPRURVYDIRKFAW-ZDUSSCGKSA-N -1 0 345.311 2.057 20 5 EEBDRM CC[C@@H](C)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001327018782 1334204706 /nfs/dbraw/zinc/20/47/06/1334204706.db2.gz SZYOPDWNHANZBC-SECBINFHSA-N -1 0 330.362 2.102 20 5 EEBDRM O=C(c1n[n-]c2ccccc2c1=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329737971 1334705506 /nfs/dbraw/zinc/70/55/06/1334705506.db2.gz HXJMIGQLDPSNRT-UHFFFAOYSA-N -1 0 336.307 2.400 20 5 EEBDRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001329795618 1334716637 /nfs/dbraw/zinc/71/66/37/1334716637.db2.gz YCOXRJHPJQLFQR-ZDUSSCGKSA-N -1 0 332.353 2.318 20 5 EEBDRM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)o1 ZINC001609575660 1352022685 /nfs/dbraw/zinc/02/26/85/1352022685.db2.gz BSUDPQPQBYLBAS-UHFFFAOYSA-N -1 0 349.690 2.378 20 5 EEBDRM C[C@H](CC(=O)[O-])Sc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001609735524 1352072150 /nfs/dbraw/zinc/07/21/50/1352072150.db2.gz HTLSWRIEHGYJTO-RXMQYKEDSA-N -1 0 325.389 2.015 20 5 EEBDRM Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCSC(C)(C)C1 ZINC001339089685 1336956961 /nfs/dbraw/zinc/95/69/61/1336956961.db2.gz SQSBEOAPPAIJGV-UHFFFAOYSA-N -1 0 349.416 2.428 20 5 EEBDRM CCC(C)(C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001609892662 1352112700 /nfs/dbraw/zinc/11/27/00/1352112700.db2.gz BHZCRYVRTKBATO-UHFFFAOYSA-N -1 0 330.362 2.102 20 5 EEBDRM Cc1c(NC(=O)N[C@]2(CC(=O)[O-])CCCOC2)cccc1[N+](=O)[O-] ZINC001610425198 1352220719 /nfs/dbraw/zinc/22/07/19/1352220719.db2.gz KDPYGQYKHBPYLL-HNNXBMFYSA-N -1 0 337.332 2.049 20 5 EEBDRM Cc1oc(COC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1C(=O)[O-] ZINC001610587071 1352250013 /nfs/dbraw/zinc/25/00/13/1352250013.db2.gz XTSRNDDEMASZHK-UHFFFAOYSA-N -1 0 337.288 2.398 20 5 EEBDRM O=C([O-])CC1(COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001610755396 1352269463 /nfs/dbraw/zinc/26/94/63/1352269463.db2.gz OBQCEIRRPQAGDN-UHFFFAOYSA-N -1 0 345.311 2.192 20 5 EEBDRM O=C([O-])COc1ccc(CNc2cnn(CC3CC3)c2)cc1[N+](=O)[O-] ZINC001610786425 1352274478 /nfs/dbraw/zinc/27/44/78/1352274478.db2.gz IMPMRURQDFPODP-UHFFFAOYSA-N -1 0 346.343 2.277 20 5 EEBDRM O=[N+]([O-])c1cn(Cc2c(Cl)oc3ccccc32)nc1-c1nnn[n-]1 ZINC001582804975 1344793075 /nfs/dbraw/zinc/79/30/75/1344793075.db2.gz UDOFYSOUEBQWRM-UHFFFAOYSA-N -1 0 345.706 2.419 20 5 EEBDRM C[C@@H](C(=O)c1ccc(Cl)cc1)n1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1 ZINC001589032207 1348954443 /nfs/dbraw/zinc/95/44/43/1348954443.db2.gz KFOPIQZNYFNWEQ-ZETCQYMHSA-N -1 0 347.722 2.069 20 5 EEBDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC001589532352 1349001374 /nfs/dbraw/zinc/00/13/74/1349001374.db2.gz QHCAXSNJHCKRRZ-QMMMGPOBSA-N -1 0 330.300 2.012 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1cccc(-c2nn[nH]n2)c1 ZINC001593282924 1349762046 /nfs/dbraw/zinc/76/20/46/1349762046.db2.gz GRKVNXYMSHWFRB-SNAWJCMRSA-N -1 0 338.283 2.039 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CN2CCc3ccc([N+](=O)[O-])cc3C2)n1C ZINC001599986743 1349949713 /nfs/dbraw/zinc/94/97/13/1349949713.db2.gz BRDQJAOLTQPGQN-UHFFFAOYSA-N -1 0 329.356 2.498 20 5 EEBDRM Cc1cc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC001600204084 1349992384 /nfs/dbraw/zinc/99/23/84/1349992384.db2.gz BUWNAAWULIEPHO-MRXNPFEDSA-N -1 0 330.344 2.091 20 5 EEBDRM Cc1cc(N(C)CCCNC(=O)C2CCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600235920 1349998636 /nfs/dbraw/zinc/99/86/36/1349998636.db2.gz ZGRUTKVDRLWDJC-UHFFFAOYSA-N -1 0 349.387 2.344 20 5 EEBDRM Cc1cc(N2CC(O)(c3ccc(F)cc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600238687 1349999240 /nfs/dbraw/zinc/99/92/40/1349999240.db2.gz MZFFBWCAIZUGKT-UHFFFAOYSA-N -1 0 346.314 2.448 20 5 EEBDRM Cc1cc(NCc2cccc(C(N)=O)c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600282297 1350010667 /nfs/dbraw/zinc/01/06/67/1350010667.db2.gz HJDWJYRNEOHGIJ-UHFFFAOYSA-N -1 0 329.312 2.312 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ncc(C(=O)[O-])s2)c1F ZINC001600304571 1350015604 /nfs/dbraw/zinc/01/56/04/1350015604.db2.gz ZMXONZPQQNTUFI-UHFFFAOYSA-N -1 0 325.277 2.449 20 5 EEBDRM Cc1cc(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)oc1C(=O)[O-] ZINC001600489709 1350063782 /nfs/dbraw/zinc/06/37/82/1350063782.db2.gz XIIAHSFMFUTQDQ-UHFFFAOYSA-N -1 0 339.325 2.477 20 5 EEBDRM Cc1nn(CN(CC(=O)[O-])CC(F)(F)F)c2cc([N+](=O)[O-])ccc12 ZINC001600787710 1350137531 /nfs/dbraw/zinc/13/75/31/1350137531.db2.gz LAHWDOVJNQUTFS-UHFFFAOYSA-N -1 0 346.265 2.159 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001600826652 1350145636 /nfs/dbraw/zinc/14/56/36/1350145636.db2.gz RRXFXFDQDTWXOZ-UHFFFAOYSA-N -1 0 333.300 2.036 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1Cn1cc([N+](=O)[O-])nc1Br ZINC001600831511 1350147110 /nfs/dbraw/zinc/14/71/10/1350147110.db2.gz BRFKPZUPWLVFBB-UHFFFAOYSA-N -1 0 330.094 2.202 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001600970545 1350179715 /nfs/dbraw/zinc/17/97/15/1350179715.db2.gz KESLFWGDTHJHKK-UHFFFAOYSA-N -1 0 339.691 2.243 20 5 EEBDRM O=C([O-])c1cc(OCC(=O)COc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001601343099 1350262135 /nfs/dbraw/zinc/26/21/35/1350262135.db2.gz HKPVFSDKXUZIFQ-UHFFFAOYSA-N -1 0 349.270 2.459 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001601344674 1350262459 /nfs/dbraw/zinc/26/24/59/1350262459.db2.gz RTLBUFYAQCXJBY-HNNXBMFYSA-N -1 0 331.280 2.343 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])s1 ZINC001601364968 1350267345 /nfs/dbraw/zinc/26/73/45/1350267345.db2.gz GOXNILMUHQLVFU-UHFFFAOYSA-N -1 0 338.316 2.353 20 5 EEBDRM O=C([O-])[C@]1(CNc2c(Br)cccc2[N+](=O)[O-])CCOC1 ZINC001601710748 1350344926 /nfs/dbraw/zinc/34/49/26/1350344926.db2.gz FTTGCIGDKBMNAR-LBPRGKRZSA-N -1 0 345.149 2.261 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]2CCC[C@H]21 ZINC001601827318 1350374130 /nfs/dbraw/zinc/37/41/30/1350374130.db2.gz HJGDUBAMNXZLBJ-WDMOLILDSA-N -1 0 336.319 2.449 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@@H]2CCCC23OCCO3)c([N+](=O)[O-])c1 ZINC001601883081 1350389872 /nfs/dbraw/zinc/38/98/72/1350389872.db2.gz QIPUGYNSQRGQAE-YVARQFDVSA-N -1 0 334.328 2.400 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CC1 ZINC001601903616 1350393835 /nfs/dbraw/zinc/39/38/35/1350393835.db2.gz FPDZAKVMHFGYGZ-VIFPVBQESA-N -1 0 330.699 2.370 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCC23CCC(CC2)C3)c([N+](=O)[O-])c1 ZINC001602074623 1350431329 /nfs/dbraw/zinc/43/13/29/1350431329.db2.gz DKBZJQSTGKPOAY-UHFFFAOYSA-N -1 0 347.371 2.401 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001602120631 1350443575 /nfs/dbraw/zinc/44/35/75/1350443575.db2.gz GIEINPLJUWZSJA-ZDUSSCGKSA-N -1 0 342.355 2.396 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC001602120698 1350443741 /nfs/dbraw/zinc/44/37/41/1350443741.db2.gz GVCVUIXTSBHVAR-SNVBAGLBSA-N -1 0 330.287 2.430 20 5 EEBDRM O=C([O-])c1c[nH]c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC001602239637 1350473609 /nfs/dbraw/zinc/47/36/09/1350473609.db2.gz XYFMQQGNLVQONK-UHFFFAOYSA-N -1 0 337.313 2.175 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc([N+](=O)[O-])c1 ZINC001602244334 1350475012 /nfs/dbraw/zinc/47/50/12/1350475012.db2.gz FKILQIZZWXYGCZ-ZNMIVQPWSA-N -1 0 348.355 2.059 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cccc3c2CCO3)cc([N+](=O)[O-])c1 ZINC001602248892 1350476503 /nfs/dbraw/zinc/47/65/03/1350476503.db2.gz DLLJSMRDRDZZRO-UHFFFAOYSA-N -1 0 328.280 2.480 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CCOCC(F)(F)C1 ZINC001602299118 1350488333 /nfs/dbraw/zinc/48/83/33/1350488333.db2.gz SXPCXVAAWOYFCA-UHFFFAOYSA-N -1 0 336.678 2.418 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])[nH]1 ZINC001602326036 1350494979 /nfs/dbraw/zinc/49/49/79/1350494979.db2.gz IFDPSEJJZGWCHK-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC(F)(F)Br)n1 ZINC001602405315 1350511953 /nfs/dbraw/zinc/51/19/53/1350511953.db2.gz RRZQAUHTVALFQV-UHFFFAOYSA-N -1 0 326.053 2.088 20 5 EEBDRM O=C([O-])c1ccc2c(c1)OCCN(Cc1cccnc1[N+](=O)[O-])C2 ZINC001602426688 1350516789 /nfs/dbraw/zinc/51/67/89/1350516789.db2.gz XLJXXZTUVMLZMJ-UHFFFAOYSA-N -1 0 329.312 2.083 20 5 EEBDRM O=C([O-])c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC001602453034 1350522890 /nfs/dbraw/zinc/52/28/90/1350522890.db2.gz WNXMDXWZKCHLIJ-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccccc1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001602468626 1350526587 /nfs/dbraw/zinc/52/65/87/1350526587.db2.gz DCUMBKDMRBPNKI-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM O=C([O-])c1ccnc(NCCc2cccc3c2OCCO3)c1[N+](=O)[O-] ZINC001602483801 1350529631 /nfs/dbraw/zinc/52/96/31/1350529631.db2.gz CZDUUARCYWVRPV-UHFFFAOYSA-N -1 0 345.311 2.114 20 5 EEBDRM O=C([O-])c1ccnc(NCCc2nc3ccccc3o2)c1[N+](=O)[O-] ZINC001602483987 1350529795 /nfs/dbraw/zinc/52/97/95/1350529795.db2.gz KGVPTYZMTDRSSD-UHFFFAOYSA-N -1 0 328.284 2.484 20 5 EEBDRM C[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001603173742 1350655624 /nfs/dbraw/zinc/65/56/24/1350655624.db2.gz SMSNLYPNVXOWJU-PRHODGIISA-N -1 0 326.324 2.453 20 5 EEBDRM CC(C)CO[C@@H](C)C(N)=NOCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603822298 1350776795 /nfs/dbraw/zinc/77/67/95/1350776795.db2.gz LLFSPXLENJZGFF-JTQLQIEISA-N -1 0 339.348 2.353 20 5 EEBDRM C[C@H](Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1F)C(=O)[O-] ZINC001604439851 1350938337 /nfs/dbraw/zinc/93/83/37/1350938337.db2.gz WURLVPVJDUMQIF-ZETCQYMHSA-N -1 0 337.263 2.166 20 5 EEBDRM CCOC(=O)CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC001605539481 1351185245 /nfs/dbraw/zinc/18/52/45/1351185245.db2.gz PJJODUUFPAIBFF-UHFFFAOYSA-N -1 0 338.360 2.457 20 5 EEBDRM COc1cc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)ccc1Cl ZINC001607167252 1351441677 /nfs/dbraw/zinc/44/16/77/1351441677.db2.gz NNXOAMDKPYBLDT-UHFFFAOYSA-N -1 0 338.703 2.165 20 5 EEBDRM COc1ccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1C(=O)[O-] ZINC001607261002 1351460947 /nfs/dbraw/zinc/46/09/47/1351460947.db2.gz CYHGBPRRBPXWPD-UHFFFAOYSA-N -1 0 345.311 2.013 20 5 EEBDRM CSc1cccc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001607410744 1351489823 /nfs/dbraw/zinc/48/98/23/1351489823.db2.gz LPNDURICYJSAMJ-QMMMGPOBSA-N -1 0 346.311 2.251 20 5 EEBDRM Cc1c(Nc2nc3ccccc3cc2[N+](=O)[O-])cnn1CC(=O)[O-] ZINC001607553830 1351514700 /nfs/dbraw/zinc/51/47/00/1351514700.db2.gz BIMNKYXJYMMVTP-UHFFFAOYSA-N -1 0 327.300 2.476 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc3c(c2)ncn3C)n1 ZINC001607589601 1351520658 /nfs/dbraw/zinc/52/06/58/1351520658.db2.gz SOKFPUFBHSERJV-UHFFFAOYSA-N -1 0 341.327 2.495 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)n1 ZINC001608122616 1351629434 /nfs/dbraw/zinc/62/94/34/1351629434.db2.gz NYUXHIIGEPLBFL-UHFFFAOYSA-N -1 0 341.327 2.071 20 5 EEBDRM Cn1ncc2c1CC(C)(C)CN(c1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC001608160846 1351637691 /nfs/dbraw/zinc/63/76/91/1351637691.db2.gz UHKXOWMQXXJWGO-UHFFFAOYSA-N -1 0 345.359 2.010 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001608274628 1351661289 /nfs/dbraw/zinc/66/12/89/1351661289.db2.gz OMVIEDLPFQZDNF-CYBMUJFWSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001608347472 1351675942 /nfs/dbraw/zinc/67/59/42/1351675942.db2.gz MZDMHTBIVWBZPW-UHFFFAOYSA-N -1 0 344.279 2.089 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 ZINC001608384257 1351682987 /nfs/dbraw/zinc/68/29/87/1351682987.db2.gz FJPSDXPDDZJMSK-MRXNPFEDSA-N -1 0 336.347 2.274 20 5 EEBDRM CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000781773439 1371249997 /nfs/dbraw/zinc/24/99/97/1371249997.db2.gz RYTVCWZSHBJGJA-SECBINFHSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C(NC1CCC(O)(C(F)(F)F)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001116511166 1371728036 /nfs/dbraw/zinc/72/80/36/1371728036.db2.gz MSFNDQFQZJQFDI-UHFFFAOYSA-N -1 0 348.277 2.266 20 5 EEBDRM COC(=O)[C@@H](CCC(=O)[O-])N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001606332666 1404795916 /nfs/dbraw/zinc/79/59/16/1404795916.db2.gz QWGUISXTXYKXRC-GFCCVEGCSA-N -1 0 344.751 2.086 20 5 EEBDRM CN(C)c1ccc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1[N+](=O)[O-] ZINC000785233125 761394421 /nfs/dbraw/zinc/39/44/21/761394421.db2.gz MSWYQTXVWATDNJ-UHFFFAOYSA-N -1 0 334.288 2.254 20 5 EEBDRM CCNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179427281 773709007 /nfs/dbraw/zinc/70/90/07/773709007.db2.gz DCZDOUFISCUCJZ-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846715105 790454411 /nfs/dbraw/zinc/45/44/11/790454411.db2.gz NCXMJEYSZTUQJZ-SNVBAGLBSA-N -1 0 332.715 2.251 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000818629454 785308525 /nfs/dbraw/zinc/30/85/25/785308525.db2.gz FTSMKRALTRWVPH-CQSZACIVSA-N -1 0 328.752 2.314 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H](CCO)Cc2ccccc2)n1 ZINC000844218789 788907375 /nfs/dbraw/zinc/90/73/75/788907375.db2.gz QLJJXLDCVBZUNT-LBPRGKRZSA-N -1 0 331.328 2.094 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2COC3(CCCCC3)O2)n1 ZINC000844210522 788929882 /nfs/dbraw/zinc/92/98/82/788929882.db2.gz BMSVBBRCGYAJEZ-JTQLQIEISA-N -1 0 337.332 2.176 20 5 EEBDRM Cc1nc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1[C@@H](C)O ZINC000844213579 788930986 /nfs/dbraw/zinc/93/09/86/788930986.db2.gz KATPHCXNNNTIOA-SECBINFHSA-N -1 0 332.316 2.057 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CSC(C)C)cc([N+](=O)[O-])c1C ZINC000916775830 797888940 /nfs/dbraw/zinc/88/89/40/797888940.db2.gz SKVBHJWRLGTGGB-UHFFFAOYSA-N -1 0 346.430 2.158 20 5 EEBDRM CC(C)[C@H](Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC001170159112 809393299 /nfs/dbraw/zinc/39/32/99/809393299.db2.gz PYJSGVCKTCOZSV-AWEZNQCLSA-N -1 0 335.360 2.352 20 5 EEBDRM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000804492598 810899373 /nfs/dbraw/zinc/89/93/73/810899373.db2.gz XKSNTZTVOHUIAF-ABAIWWIYSA-N -1 0 330.340 2.461 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cs1 ZINC000808328445 812597818 /nfs/dbraw/zinc/59/78/18/812597818.db2.gz PIPVSTACEARMKF-MRVPVSSYSA-N -1 0 330.309 2.276 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000809063416 812952939 /nfs/dbraw/zinc/95/29/39/812952939.db2.gz ONLZCOAYGZEGQX-UHFFFAOYSA-N -1 0 334.353 2.163 20 5 EEBDRM COc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001611060818 970873783 /nfs/dbraw/zinc/87/37/83/970873783.db2.gz NDDURLOBBYDLTL-CYBMUJFWSA-N -1 0 344.323 2.029 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001601976376 971100020 /nfs/dbraw/zinc/10/00/20/971100020.db2.gz WVARQSXTYURTRQ-AWEZNQCLSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC001595263223 949711522 /nfs/dbraw/zinc/71/15/22/949711522.db2.gz LRVQKOVYILWSSS-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])COc1cccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC001595120968 951977239 /nfs/dbraw/zinc/97/72/39/951977239.db2.gz WFEGEHBNCQUGQE-UHFFFAOYSA-N -1 0 342.307 2.261 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)ccn1 ZINC001595209769 952358955 /nfs/dbraw/zinc/35/89/55/952358955.db2.gz HLTJRHAMMZPVEE-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001589266190 953372161 /nfs/dbraw/zinc/37/21/61/953372161.db2.gz OMXFURBDLHJFQF-UWVGGRQHSA-N -1 0 342.298 2.256 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)cn1 ZINC001594806739 953787436 /nfs/dbraw/zinc/78/74/36/953787436.db2.gz XJECJSFBXIFFMD-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001589344191 954037956 /nfs/dbraw/zinc/03/79/56/954037956.db2.gz NFYBGPJZCLIISE-NQBHXWOUSA-N -1 0 335.360 2.408 20 5 EEBDRM Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCCCC(=O)[O-] ZINC001594523514 955477958 /nfs/dbraw/zinc/47/79/58/955477958.db2.gz KCOPJUVEGDMALN-UHFFFAOYSA-N -1 0 337.357 2.189 20 5 EEBDRM Nc1c(C(=O)NC2(C(=O)[O-])CCCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001594660391 956530434 /nfs/dbraw/zinc/53/04/34/956530434.db2.gz XTLPRYWTZZTBTA-UHFFFAOYSA-N -1 0 343.339 2.457 20 5 EEBDRM CC(C)C[C@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)[O-] ZINC001345595653 958052365 /nfs/dbraw/zinc/05/23/65/958052365.db2.gz MOWMEOMHETWSIX-GFCCVEGCSA-N -1 0 335.360 2.367 20 5 EEBDRM COc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccn2)cc1[N+](=O)[O-] ZINC001594093330 958379824 /nfs/dbraw/zinc/37/98/24/958379824.db2.gz LNLXGXFKLLKHGR-UHFFFAOYSA-N -1 0 346.299 2.018 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001594381332 958626119 /nfs/dbraw/zinc/62/61/19/958626119.db2.gz RHNGLHMLBAZEAF-AWEZNQCLSA-N -1 0 344.327 2.116 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001573498772 959042356 /nfs/dbraw/zinc/04/23/56/959042356.db2.gz MEPJKJTWDDJGMY-SECBINFHSA-N -1 0 346.286 2.283 20 5 EEBDRM C[C@@H](C(=O)NCCC(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001588557432 959068316 /nfs/dbraw/zinc/06/83/16/959068316.db2.gz RAMOLVSHIINGLB-SECBINFHSA-N -1 0 326.324 2.455 20 5 EEBDRM CCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000159004652 959103346 /nfs/dbraw/zinc/10/33/46/959103346.db2.gz NQFZRSPHZDQBLR-MRVPVSSYSA-N -1 0 345.149 2.340 20 5 EEBDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001594215155 959321266 /nfs/dbraw/zinc/32/12/66/959321266.db2.gz GMWWQZGPYTWDLI-RDDDGLTNSA-N -1 0 328.271 2.341 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574321561 960823151 /nfs/dbraw/zinc/82/31/51/960823151.db2.gz AMBCVFIJEZCDAX-RYUDHWBXSA-N -1 0 336.344 2.420 20 5 EEBDRM CC(C)C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001588899756 962252028 /nfs/dbraw/zinc/25/20/28/962252028.db2.gz XCWYTWQXNYKZIN-NSHDSACASA-N -1 0 330.287 2.302 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001574680253 962579148 /nfs/dbraw/zinc/57/91/48/962579148.db2.gz WVIKYXMEEVERPX-VIFPVBQESA-N -1 0 325.296 2.453 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001606090746 973259292 /nfs/dbraw/zinc/25/92/92/973259292.db2.gz QTOMDRIKWZZIKO-LLVKDONJSA-N -1 0 338.335 2.380 20 5 EEBDRM Cc1cnc(COC(=O)c2ccc(C(=O)[O-])cn2)c(C)c1[N+](=O)[O-] ZINC001605374051 973318796 /nfs/dbraw/zinc/31/87/96/973318796.db2.gz IBYRYWKZZBSPSO-UHFFFAOYSA-N -1 0 331.284 2.057 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)nc1 ZINC001606478344 973956175 /nfs/dbraw/zinc/95/61/75/973956175.db2.gz JSKXZGNEHHZQQP-UHFFFAOYSA-N -1 0 338.222 2.323 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001591705709 975573559 /nfs/dbraw/zinc/57/35/59/975573559.db2.gz WMRDGOKMRWVZSP-FZMZJTMJSA-N -1 0 338.360 2.035 20 5 EEBDRM C[C@@H](CC(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])n1ccnc1 ZINC001592433953 978071269 /nfs/dbraw/zinc/07/12/69/978071269.db2.gz ROXDIDBNKZIFEC-JTQLQIEISA-N -1 0 333.300 2.184 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@]23OCCC[C@H]2C3(F)F)n1 ZINC000849347705 979498936 /nfs/dbraw/zinc/49/89/36/979498936.db2.gz CJFIIYZZOOJDIR-RNCFNFMXSA-N -1 0 343.286 2.223 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001594902151 982360647 /nfs/dbraw/zinc/36/06/47/982360647.db2.gz KLLPNQMHCAIWCA-OQPBUACISA-N -1 0 344.364 2.442 20 5 EEBDRM CC(C)(CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001588775569 984152584 /nfs/dbraw/zinc/15/25/84/984152584.db2.gz VDPHFWBQOAKNOB-UHFFFAOYSA-N -1 0 346.286 2.427 20 5 EEBDRM C[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccc([N+](=O)[O-])cc1 ZINC001599893286 984722001 /nfs/dbraw/zinc/72/20/01/984722001.db2.gz ZIEJHUDXANOPBB-VHRBIJSZSA-N -1 0 336.344 2.042 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001589000822 984941765 /nfs/dbraw/zinc/94/17/65/984941765.db2.gz DTAAIUYHKSHDMD-IUJLQVPDSA-N -1 0 330.340 2.464 20 5 EEBDRM C[C@H]1CN(CCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CCO1 ZINC001594531418 986122140 /nfs/dbraw/zinc/12/21/40/986122140.db2.gz KGCFOSUMTLXLLY-VIFPVBQESA-N -1 0 343.767 2.079 20 5 EEBDRM CCOc1ccc(C[C@H](CNc2ncc([N+](=O)[O-])cn2)C(=O)[O-])cc1 ZINC001597095941 986699775 /nfs/dbraw/zinc/69/97/75/986699775.db2.gz VRQSKYCZBRKVKF-GFCCVEGCSA-N -1 0 346.343 2.139 20 5 EEBDRM C[C@H](C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001589429579 986710517 /nfs/dbraw/zinc/71/05/17/986710517.db2.gz MZKSDJORRMYVFB-FASAMLHVSA-N -1 0 332.356 2.314 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC001597399287 987656839 /nfs/dbraw/zinc/65/68/39/987656839.db2.gz CPJMOWPJRUGCKO-HNNXBMFYSA-N -1 0 338.364 2.034 20 5 EEBDRM CC(C)(C)N1C[C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC001589803171 988216252 /nfs/dbraw/zinc/21/62/52/988216252.db2.gz YFBBHTFVGLJFOF-GFCCVEGCSA-N -1 0 349.387 2.281 20 5 EEBDRM CSc1ccc(C(=O)OCc2oncc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599810442 988325052 /nfs/dbraw/zinc/32/50/52/988325052.db2.gz WSVJLCYOPHUPPU-UHFFFAOYSA-N -1 0 338.297 2.360 20 5 EEBDRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 ZINC001599840357 988815538 /nfs/dbraw/zinc/81/55/38/988815538.db2.gz PWCJLCXGNHKZLI-SECBINFHSA-N -1 0 333.300 2.446 20 5 EEBDRM CCn1cc(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])nn1 ZINC001597891175 989748056 /nfs/dbraw/zinc/74/80/56/989748056.db2.gz ZXCAPAXGJPWKQZ-UHFFFAOYSA-N -1 0 325.712 2.170 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])n1 ZINC001597899087 989769044 /nfs/dbraw/zinc/76/90/44/989769044.db2.gz CMCWUWBCFFMOTN-UHFFFAOYSA-N -1 0 338.345 2.440 20 5 EEBDRM CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC001598034135 990257523 /nfs/dbraw/zinc/25/75/23/990257523.db2.gz DMNAENAEZAYAPK-UHFFFAOYSA-N -1 0 332.715 2.251 20 5 EEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598079278 990393028 /nfs/dbraw/zinc/39/30/28/990393028.db2.gz UUGOLDWEBZOMAP-OTSSQURYSA-N -1 0 344.270 2.131 20 5 EEBDRM CC(C)(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(C(=O)[O-])on1 ZINC001590870898 990774250 /nfs/dbraw/zinc/77/42/50/990774250.db2.gz RWVXEKNJJLKDTO-UHFFFAOYSA-N -1 0 335.316 2.185 20 5 EEBDRM CN(C)c1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001598340051 991393222 /nfs/dbraw/zinc/39/32/22/991393222.db2.gz DLTHAUZUUWQHAO-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM CN(C)c1cccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n1 ZINC001598340852 991398047 /nfs/dbraw/zinc/39/80/47/991398047.db2.gz RJIVWUGIYJPPMF-QGZVFWFLSA-N -1 0 344.371 2.145 20 5 EEBDRM CC(C)[C@@]1(C)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001591061865 991504876 /nfs/dbraw/zinc/50/48/76/991504876.db2.gz PHWCKWATDVFXNC-TZMCWYRMSA-N -1 0 342.373 2.006 20 5 EEBDRM COc1cnccc1-c1noc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001599727931 991660534 /nfs/dbraw/zinc/66/05/34/991660534.db2.gz AFJLFIBNWGLQNI-UHFFFAOYSA-N -1 0 342.267 2.414 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001599622687 994105771 /nfs/dbraw/zinc/10/57/71/994105771.db2.gz ZBSPLNCLJGXZKI-QFYYESIMSA-N -1 0 349.343 2.322 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@@H](C(=O)[O-])[C@H]3C)c2c1 ZINC001599637939 994315974 /nfs/dbraw/zinc/31/59/74/994315974.db2.gz NCHPSHXEVUDDRH-MWLCHTKSSA-N -1 0 331.328 2.451 20 5 EEBDRM C[C@@H](Oc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1F)C(=O)[O-] ZINC001593624197 995884839 /nfs/dbraw/zinc/88/48/39/995884839.db2.gz HHUVAWKQYVPPFS-SECBINFHSA-N -1 0 342.323 2.452 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001593765202 996440423 /nfs/dbraw/zinc/44/04/23/996440423.db2.gz PEUVKJNTQFNWIX-CPUCHLNUSA-N -1 0 332.356 2.412 20 5 EEBDRM COC(=O)Cc1ccc(NCc2ccc(C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC001598872076 996741882 /nfs/dbraw/zinc/74/18/82/996741882.db2.gz UCOCQGUNHWLISA-UHFFFAOYSA-N -1 0 334.284 2.214 20 5 EEBDRM COc1ccc(C(=O)[O-])c2c1CN(c1ccc([N+](=O)[O-])nc1)CC2 ZINC001599498729 997068739 /nfs/dbraw/zinc/06/87/39/997068739.db2.gz ZEFIPQMIFQHTEO-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM COC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598895326 997071370 /nfs/dbraw/zinc/07/13/70/997071370.db2.gz VEVZVTZZOQMHLM-VIFPVBQESA-N -1 0 328.708 2.088 20 5 EEBDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cc([N+](=O)[O-])cn1C ZINC001599397006 997145578 /nfs/dbraw/zinc/14/55/78/997145578.db2.gz COXXFVHFIZLKCP-XQRVVYSFSA-N -1 0 346.295 2.259 20 5 EEBDRM COCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001599234461 997922030 /nfs/dbraw/zinc/92/20/30/997922030.db2.gz DSCGAVWMIMTMEH-UHFFFAOYSA-N -1 0 349.318 2.333 20 5 EEBDRM COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)ccc1C(=O)[O-] ZINC001599441742 997940594 /nfs/dbraw/zinc/94/05/94/997940594.db2.gz CRTNBPHJBBXRSH-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM COCCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001599248632 998190512 /nfs/dbraw/zinc/19/05/12/998190512.db2.gz CUBAGYXCYRTNST-VIFPVBQESA-N -1 0 344.751 2.188 20 5 EEBDRM COc1ccc(CNC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1[N+](=O)[O-] ZINC001599569872 998348534 /nfs/dbraw/zinc/34/85/34/998348534.db2.gz YZCWWTTUEPISMI-UHFFFAOYSA-N -1 0 347.327 2.177 20 5 EEBDRM COC(CN(CCC(=O)[O-])Cc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC001599047254 999159172 /nfs/dbraw/zinc/15/91/72/999159172.db2.gz ANQIEXGAJPBXCM-UHFFFAOYSA-N -1 0 346.767 2.144 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n(C)n1 ZINC000178420306 529559186 /nfs/dbraw/zinc/55/91/86/529559186.db2.gz MAUKBRPMBPMZIS-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000263472046 304100766 /nfs/dbraw/zinc/10/07/66/304100766.db2.gz SBHFANBYVVSQIF-NEPJUHHUSA-N -1 0 336.344 2.123 20 5 EEBDRM CSc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000261904048 244723060 /nfs/dbraw/zinc/72/30/60/244723060.db2.gz PGTKHJIDRPVJPG-KOLCDFICSA-N -1 0 338.385 2.500 20 5 EEBDRM O=C([O-])CC1(NC(=O)CCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000262843854 245208519 /nfs/dbraw/zinc/20/85/19/245208519.db2.gz HDAOMOLIPDBALO-UHFFFAOYSA-N -1 0 335.360 2.301 20 5 EEBDRM Cc1ccc2[nH]c(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])nc2c1 ZINC000178473623 255907588 /nfs/dbraw/zinc/90/75/88/255907588.db2.gz ZDBBPOWFULZZRJ-UHFFFAOYSA-N -1 0 326.312 2.415 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000273616378 256312030 /nfs/dbraw/zinc/31/20/30/256312030.db2.gz SWEJJNRIJBYHDN-UHFFFAOYSA-N -1 0 342.402 2.341 20 5 EEBDRM CC(C)C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000262559269 152291573 /nfs/dbraw/zinc/29/15/73/152291573.db2.gz ZECAVYYDTMDSNQ-LBPRGKRZSA-N -1 0 337.376 2.260 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000263001480 152354660 /nfs/dbraw/zinc/35/46/60/152354660.db2.gz VALKWTVXIVMTAY-TZMCWYRMSA-N -1 0 335.360 2.452 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000128552493 292344107 /nfs/dbraw/zinc/34/41/07/292344107.db2.gz BKFBZBOBMLBFBU-UHFFFAOYSA-N -1 0 342.323 2.394 20 5 EEBDRM O=C(CCCNC(=O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531107 159182930 /nfs/dbraw/zinc/18/29/30/159182930.db2.gz VQFCEZJYZINHDL-UHFFFAOYSA-N -1 0 343.339 2.449 20 5 EEBDRM Cc1cc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000195077754 160206097 /nfs/dbraw/zinc/20/60/97/160206097.db2.gz BXSRHRMWTOTPOB-UHFFFAOYSA-N -1 0 340.295 2.499 20 5 EEBDRM Nc1c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC000238063362 160228085 /nfs/dbraw/zinc/22/80/85/160228085.db2.gz YTNGZGIPESNKES-GFCCVEGCSA-N -1 0 329.312 2.123 20 5 EEBDRM COc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(C(=O)[O-])c1 ZINC000342538647 161072581 /nfs/dbraw/zinc/07/25/81/161072581.db2.gz BOJXXZFNSJYAQG-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM Cc1ncsc1CN(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000362496467 164695824 /nfs/dbraw/zinc/69/58/24/164695824.db2.gz GPYSPXGNSCFEKQ-UHFFFAOYSA-N -1 0 335.341 2.330 20 5 EEBDRM CCc1c(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])onc1C(F)(F)F ZINC000288020447 275015752 /nfs/dbraw/zinc/01/57/52/275015752.db2.gz WBOJLVZALVUPIZ-UHFFFAOYSA-N -1 0 333.226 2.448 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@](CO)(c2ccccc2)C1 ZINC000291310676 275292775 /nfs/dbraw/zinc/29/27/75/275292775.db2.gz TUMZCYYBPRNAML-SFHVURJKSA-N -1 0 342.351 2.077 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000160679609 311357242 /nfs/dbraw/zinc/35/72/42/311357242.db2.gz GSHWSSZKBZZWOK-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1cnc(N2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)s1 ZINC000332480929 312013738 /nfs/dbraw/zinc/01/37/38/312013738.db2.gz WPQMBQSAOVFOMO-UHFFFAOYSA-N -1 0 334.401 2.388 20 5 EEBDRM C[C@H](CC(C)(C)C)NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000414337642 313000356 /nfs/dbraw/zinc/00/03/56/313000356.db2.gz DTAAJXJTGNKKCU-SECBINFHSA-N -1 0 344.389 2.396 20 5 EEBDRM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000416593507 313268306 /nfs/dbraw/zinc/26/83/06/313268306.db2.gz LNYJXKSCDZSCRM-XPTSAGLGSA-N -1 0 346.380 2.216 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421233527 314067535 /nfs/dbraw/zinc/06/75/35/314067535.db2.gz MEYXVNPGIBMCLB-GFCCVEGCSA-N -1 0 346.405 2.406 20 5 EEBDRM O=C([O-])[C@H]1CC[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000435724989 314920369 /nfs/dbraw/zinc/92/03/69/314920369.db2.gz VSIQEUJVDCYHBQ-HAQNSBGRSA-N -1 0 335.360 2.014 20 5 EEBDRM Cn1ccc2c(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cccc2c1=O ZINC000436510835 314970247 /nfs/dbraw/zinc/97/02/47/314970247.db2.gz VBIQLXWWJREWJU-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM COc1ccc([C@H](CO)N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436894248 315010390 /nfs/dbraw/zinc/01/03/90/315010390.db2.gz QDNRKLXUDHIDCX-HNNXBMFYSA-N -1 0 346.339 2.115 20 5 EEBDRM NC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1Cl ZINC000436949762 315015105 /nfs/dbraw/zinc/01/51/05/315015105.db2.gz AYCVEGNBJVYUMI-UHFFFAOYSA-N -1 0 335.703 2.305 20 5 EEBDRM O=C(NCc1nc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436950868 315015766 /nfs/dbraw/zinc/01/57/66/315015766.db2.gz WSWXOIAFZAMTOA-UHFFFAOYSA-N -1 0 340.295 2.280 20 5 EEBDRM O=C([O-])c1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000439989860 315106080 /nfs/dbraw/zinc/10/60/80/315106080.db2.gz CPGBGLHIPAVLDW-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM COC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000525702747 317069187 /nfs/dbraw/zinc/06/91/87/317069187.db2.gz WKCPZFKDCGCDLM-JTQLQIEISA-N -1 0 336.797 2.198 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2noc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000537593588 318021312 /nfs/dbraw/zinc/02/13/12/318021312.db2.gz FWAIPASDNLBRDB-UHFFFAOYSA-N -1 0 326.334 2.210 20 5 EEBDRM Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])CC(C)C)c([N+](=O)[O-])c1 ZINC000547909898 318333349 /nfs/dbraw/zinc/33/33/49/318333349.db2.gz XLCQSBKOVVOIFF-UHFFFAOYSA-N -1 0 344.389 2.025 20 5 EEBDRM CCC(C)(C)[C@H](NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000563711716 319039081 /nfs/dbraw/zinc/03/90/81/319039081.db2.gz AZDJYRQMHOYGJJ-GFCCVEGCSA-N -1 0 344.389 2.071 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000565112715 319150315 /nfs/dbraw/zinc/15/03/15/319150315.db2.gz PGEPEJJRHLOWDZ-ZDUSSCGKSA-N -1 0 348.277 2.442 20 5 EEBDRM Cc1cc(N2CCC[C@H](Cn3ccnn3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566293514 319270622 /nfs/dbraw/zinc/27/06/22/319270622.db2.gz VSQUNHBUUOYXAO-LBPRGKRZSA-N -1 0 345.359 2.110 20 5 EEBDRM Cn1nccc1N1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000567976140 319440469 /nfs/dbraw/zinc/44/04/69/319440469.db2.gz HTLZEGHJLSNOAS-GFCCVEGCSA-N -1 0 345.359 2.107 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000570635657 319683042 /nfs/dbraw/zinc/68/30/42/319683042.db2.gz QPQDFMJINLAUCA-CQSZACIVSA-N -1 0 347.302 2.405 20 5 EEBDRM CC(C)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572528929 319854184 /nfs/dbraw/zinc/85/41/84/319854184.db2.gz CJJRLDGPFLZXQI-NSHDSACASA-N -1 0 342.373 2.102 20 5 EEBDRM CCc1ccc(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000573730234 319961126 /nfs/dbraw/zinc/96/11/26/319961126.db2.gz XUUYHZARFQZZSZ-SNVBAGLBSA-N -1 0 344.389 2.029 20 5 EEBDRM C/C=C\C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000575192139 320094873 /nfs/dbraw/zinc/09/48/73/320094873.db2.gz KOGJXDLJPHCPMK-ZRMMWKCHSA-N -1 0 331.328 2.085 20 5 EEBDRM O=C(Nc1cnn(-c2ccccn2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000577785884 320275328 /nfs/dbraw/zinc/27/53/28/320275328.db2.gz BGXQCTGOZVAJHF-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000581525525 324270408 /nfs/dbraw/zinc/27/04/08/324270408.db2.gz RQDXSFDWYLLBQF-LBPRGKRZSA-N -1 0 343.339 2.353 20 5 EEBDRM CO[C@H](CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(F)(F)F ZINC000514792901 448204921 /nfs/dbraw/zinc/20/49/21/448204921.db2.gz QWTXUNWWCCBVFY-MRVPVSSYSA-N -1 0 337.254 2.376 20 5 EEBDRM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1cccs1 ZINC000339045654 465047991 /nfs/dbraw/zinc/04/79/91/465047991.db2.gz DKXIMTKFULQWMV-SECBINFHSA-N -1 0 344.418 2.302 20 5 EEBDRM O=C([O-])c1cccc(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000336880091 465076657 /nfs/dbraw/zinc/07/66/57/465076657.db2.gz OVCIJBSVAMUUMU-UHFFFAOYSA-N -1 0 328.324 2.194 20 5 EEBDRM Cc1nc2ccnn2c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356281850 465301895 /nfs/dbraw/zinc/30/18/95/465301895.db2.gz OAMZMFBCYOFRJR-UHFFFAOYSA-N -1 0 327.300 2.212 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000121285549 463110559 /nfs/dbraw/zinc/11/05/59/463110559.db2.gz WSXAVLYCARZDJS-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM Cc1cnc(N(C)Cc2nc(=O)c3sccc3[n-]2)c([N+](=O)[O-])c1 ZINC000160562394 463350293 /nfs/dbraw/zinc/35/02/93/463350293.db2.gz VBEFMIXKYRWPEC-UHFFFAOYSA-N -1 0 331.357 2.233 20 5 EEBDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000356502412 465421620 /nfs/dbraw/zinc/42/16/20/465421620.db2.gz ALJBLECSUUIAEP-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CSc1ccc(C(=O)N(CC(=O)[O-])CC(C)C)cc1[N+](=O)[O-] ZINC000261860058 463881376 /nfs/dbraw/zinc/88/13/76/463881376.db2.gz FSNUINSFDOHRHI-UHFFFAOYSA-N -1 0 326.374 2.500 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(O)(c2ccccc2)CC1 ZINC000185897558 463901935 /nfs/dbraw/zinc/90/19/35/463901935.db2.gz VQMDNHRXSODGEK-UHFFFAOYSA-N -1 0 342.351 2.424 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000262287193 463993046 /nfs/dbraw/zinc/99/30/46/463993046.db2.gz WZCHVKZZEBANFY-YVEFUNNKSA-N -1 0 347.371 2.110 20 5 EEBDRM C[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269487680 463998264 /nfs/dbraw/zinc/99/82/64/463998264.db2.gz QZYVNOKZSBTIKC-SFYZADRCSA-N -1 0 349.206 2.292 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000263310701 464081505 /nfs/dbraw/zinc/08/15/05/464081505.db2.gz HYVSFZJOVXMGIX-GHMZBOCLSA-N -1 0 336.344 2.176 20 5 EEBDRM COC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOCC1 ZINC000285465202 464574901 /nfs/dbraw/zinc/57/49/01/464574901.db2.gz BSINNERJHSJTGU-UHFFFAOYSA-N -1 0 330.724 2.088 20 5 EEBDRM Cc1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)[nH]n1 ZINC000272352671 464575217 /nfs/dbraw/zinc/57/52/17/464575217.db2.gz CRUQALLXUXTDKU-UHFFFAOYSA-N -1 0 330.344 2.352 20 5 EEBDRM CC[C@@H](C)n1nc([N-]c2nc(C(=O)OC)ccc2[N+](=O)[O-])cc1C ZINC000342916257 465385462 /nfs/dbraw/zinc/38/54/62/465385462.db2.gz IYRKKQMNTRZDMJ-SECBINFHSA-N -1 0 333.348 2.996 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593921669 468435208 /nfs/dbraw/zinc/43/52/08/468435208.db2.gz GMNIVOLQXKMHDT-SECBINFHSA-N -1 0 345.149 2.293 20 5 EEBDRM CC(C)(C)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000362218538 465580278 /nfs/dbraw/zinc/58/02/78/465580278.db2.gz OSMVBCASXLFOHP-GFCCVEGCSA-N -1 0 344.389 2.153 20 5 EEBDRM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000362432955 465734579 /nfs/dbraw/zinc/73/45/79/465734579.db2.gz BFCUPCTYBMBZGQ-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000569224816 468459133 /nfs/dbraw/zinc/45/91/33/468459133.db2.gz FUQFJBCBONUUOQ-BDJLRTHQSA-N -1 0 336.344 2.067 20 5 EEBDRM CCOC(=O)c1cnc(C)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000357583315 466154674 /nfs/dbraw/zinc/15/46/74/466154674.db2.gz MVUGDGLZSUSVJG-UHFFFAOYSA-N -1 0 345.311 2.433 20 5 EEBDRM COc1cc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000347000941 466308595 /nfs/dbraw/zinc/30/85/95/466308595.db2.gz UVZCTNVLYJHEJV-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(OCC3CC3)CC2)n1 ZINC000569459889 468495094 /nfs/dbraw/zinc/49/50/94/468495094.db2.gz ABUMYBPVUULRGM-UHFFFAOYSA-N -1 0 335.360 2.392 20 5 EEBDRM COc1cccc(COCCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000339012572 466569598 /nfs/dbraw/zinc/56/95/98/466569598.db2.gz XJPKWWAAQMEURG-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM COC(=O)Cc1ccc(NC[C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424377730 467036075 /nfs/dbraw/zinc/03/60/75/467036075.db2.gz RSFKAOJHDWYUFY-LBPRGKRZSA-N -1 0 338.360 2.469 20 5 EEBDRM O=C(/C=C/C1CCCC1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000493130010 467846821 /nfs/dbraw/zinc/84/68/21/467846821.db2.gz WDRVRAQZGUAZQR-VMPITWQZSA-N -1 0 342.348 2.285 20 5 EEBDRM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)CCC1CCC1 ZINC000493465354 467917105 /nfs/dbraw/zinc/91/71/05/467917105.db2.gz XGWSLMOJAGVYOP-FPLPWBNLSA-N -1 0 338.385 2.244 20 5 EEBDRM C[C@@H]1C[C@H](CO)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000517374633 468082989 /nfs/dbraw/zinc/08/29/89/468082989.db2.gz KMDJMFVHSIKOKP-BDAKNGLRSA-N -1 0 328.752 2.044 20 5 EEBDRM CN1Cc2cccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C1 ZINC000589977446 468200607 /nfs/dbraw/zinc/20/06/07/468200607.db2.gz YEULNKOOIZOTSH-UHFFFAOYSA-N -1 0 333.369 2.341 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2nc(C3CC3)ncc2C1 ZINC000600420921 468552547 /nfs/dbraw/zinc/55/25/47/468552547.db2.gz RFMYWJQCQZDALU-UHFFFAOYSA-N -1 0 340.339 2.166 20 5 EEBDRM CN(Cc1cn2c(n1)CCCC2)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000582727208 468584507 /nfs/dbraw/zinc/58/45/07/468584507.db2.gz DAFWOIZYNSLJRI-UHFFFAOYSA-N -1 0 330.344 2.462 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000600676197 468617721 /nfs/dbraw/zinc/61/77/21/468617721.db2.gz ZKJKRRJACVIOSQ-OAHLLOKOSA-N -1 0 332.312 2.380 20 5 EEBDRM Cn1[n-]c(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1=O ZINC000597723408 468651905 /nfs/dbraw/zinc/65/19/05/468651905.db2.gz JXXYRLIFQXBPGK-GFCCVEGCSA-N -1 0 330.344 2.054 20 5 EEBDRM C[C@@H]1[C@@H](C(F)(F)F)OCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000594735679 468667927 /nfs/dbraw/zinc/66/79/27/468667927.db2.gz MZDHVDOOOSDPPI-HQJQHLMTSA-N -1 0 334.250 2.449 20 5 EEBDRM COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000600883064 468675134 /nfs/dbraw/zinc/67/51/34/468675134.db2.gz WEYZIFADGGPKPN-FRRDWIJNSA-N -1 0 348.355 2.319 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000559324675 468737492 /nfs/dbraw/zinc/73/74/92/468737492.db2.gz SGKHOQKLYBAGKB-LBPRGKRZSA-N -1 0 335.360 2.028 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595245398 468792218 /nfs/dbraw/zinc/79/22/18/468792218.db2.gz URNQFRPBFYLWTG-ZJUUUORDSA-N -1 0 346.261 2.320 20 5 EEBDRM O=C([O-])C1(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000595260686 468796465 /nfs/dbraw/zinc/79/64/65/468796465.db2.gz IIHAIYNVGUZTOL-UHFFFAOYSA-N -1 0 349.387 2.472 20 5 EEBDRM CC[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000592953655 468826752 /nfs/dbraw/zinc/82/67/52/468826752.db2.gz XTZGIBPDNKNBCM-ZETCQYMHSA-N -1 0 345.149 2.198 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3ccccc3F)C2)n1 ZINC000592972060 468831739 /nfs/dbraw/zinc/83/17/39/468831739.db2.gz PVSQWRQDPMLYNF-CQSZACIVSA-N -1 0 347.302 2.405 20 5 EEBDRM CNc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1[N+](=O)[O-] ZINC000598660536 468949636 /nfs/dbraw/zinc/94/96/36/468949636.db2.gz AEXHENHLEFQALV-CQSZACIVSA-N -1 0 335.360 2.400 20 5 EEBDRM CC[C@@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C(=O)[O-] ZINC000562780320 469067271 /nfs/dbraw/zinc/06/72/71/469067271.db2.gz NJWCPDHYIYEOAX-GFCCVEGCSA-N -1 0 331.328 2.844 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000595977298 469104934 /nfs/dbraw/zinc/10/49/34/469104934.db2.gz WSRRZPZCCQFQEV-LLVKDONJSA-N -1 0 336.344 2.463 20 5 EEBDRM COc1ccc(CC(=O)N2CCCC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000611526633 469272116 /nfs/dbraw/zinc/27/21/16/469272116.db2.gz YCRZHSDKDSZUQU-LBPRGKRZSA-N -1 0 336.344 2.002 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000618020646 469874099 /nfs/dbraw/zinc/87/40/99/469874099.db2.gz SBEZEOUPGVGFGB-YUMQZZPRSA-N -1 0 328.346 2.137 20 5 EEBDRM Cc1noc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)n1 ZINC000179443818 534477506 /nfs/dbraw/zinc/47/75/06/534477506.db2.gz JHIRARCEOUQYAJ-JTQLQIEISA-N -1 0 332.316 2.012 20 5 EEBDRM CC(C)(C)c1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)cc1[N+](=O)[O-] ZINC000181797067 526769486 /nfs/dbraw/zinc/76/94/86/526769486.db2.gz HHIAQQAKXTZZCL-UHFFFAOYSA-N -1 0 346.343 2.426 20 5 EEBDRM CC(C)(C)c1nc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])no1 ZINC000182943020 526874522 /nfs/dbraw/zinc/87/45/22/526874522.db2.gz ZCMPQZDJDXYSEQ-UHFFFAOYSA-N -1 0 326.334 2.076 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263095879 536887005 /nfs/dbraw/zinc/88/70/05/536887005.db2.gz JKABQMXTNMDBNL-ZJUUUORDSA-N -1 0 337.332 2.178 20 5 EEBDRM Cc1cc(C(=O)OCc2noc(CCCC(=O)[O-])n2)cc([N+](=O)[O-])c1 ZINC000738352644 578010404 /nfs/dbraw/zinc/01/04/04/578010404.db2.gz QJVBAQDHDLCBBD-UHFFFAOYSA-N -1 0 349.299 2.051 20 5 EEBDRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000734734999 577323341 /nfs/dbraw/zinc/32/33/41/577323341.db2.gz MGYCVIRDYVBPKV-CSKARUKUSA-N -1 0 326.374 2.455 20 5 EEBDRM O=C([O-])CCN(C1CCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000776682896 577466025 /nfs/dbraw/zinc/46/60/25/577466025.db2.gz HUHGVKYAQCVVIF-UHFFFAOYSA-N -1 0 348.402 2.064 20 5 EEBDRM O=C([O-])Cn1cc(/C=C(/Cl)c2nc3cc([N+](=O)[O-])ccc3o2)nn1 ZINC000759083053 577636746 /nfs/dbraw/zinc/63/67/46/577636746.db2.gz HADLPDSZBZWXSA-YCRREMRBSA-N -1 0 349.690 2.149 20 5 EEBDRM O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1cccc([N+](=O)[O-])c1[O-] ZINC000763224835 577717163 /nfs/dbraw/zinc/71/71/63/577717163.db2.gz PUMOQYJJJAHOSD-SUZMYJTESA-N -1 0 340.426 2.410 20 5 EEBDRM O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755657707 577828767 /nfs/dbraw/zinc/82/87/67/577828767.db2.gz SDIRUFOCRZHQAC-WQAKAFBOSA-N -1 0 340.426 2.410 20 5 EEBDRM O=C([O-])c1cc(OCC(=O)c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000739327847 578048721 /nfs/dbraw/zinc/04/87/21/578048721.db2.gz BJVRDUCQEINTLD-UHFFFAOYSA-N -1 0 346.251 2.463 20 5 EEBDRM O=C([O-])c1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1 ZINC000739339080 578049024 /nfs/dbraw/zinc/04/90/24/578049024.db2.gz XJAJZKXWJZTKIO-UHFFFAOYSA-N -1 0 333.325 2.419 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000740188791 578084806 /nfs/dbraw/zinc/08/48/06/578084806.db2.gz LUYJMFYOMHGCCP-UHFFFAOYSA-N -1 0 341.323 2.247 20 5 EEBDRM CC(C)(C)NC(=O)CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736261846 578191737 /nfs/dbraw/zinc/19/17/37/578191737.db2.gz UFQPYNKWKJHERU-ALCCZGGFSA-N -1 0 335.360 2.409 20 5 EEBDRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000736367772 578199235 /nfs/dbraw/zinc/19/92/35/578199235.db2.gz LOZYCTQOZOTHCD-AWEZNQCLSA-N -1 0 337.376 2.326 20 5 EEBDRM COc1ccc(CC(=O)OCc2occc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737983605 578275322 /nfs/dbraw/zinc/27/53/22/578275322.db2.gz CJTRDQXEFSFOQS-UHFFFAOYSA-N -1 0 335.268 2.181 20 5 EEBDRM COc1ccc(CC(=O)Oc2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000737983629 578275376 /nfs/dbraw/zinc/27/53/76/578275376.db2.gz CVQKGJHPHYUMDB-UHFFFAOYSA-N -1 0 345.307 2.379 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C(=O)[O-])c1ccccc1 ZINC000821052674 598200118 /nfs/dbraw/zinc/20/01/18/598200118.db2.gz SMLVPNPQQATLGK-INIZCTEOSA-N -1 0 343.339 2.257 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000821511490 598206402 /nfs/dbraw/zinc/20/64/02/598206402.db2.gz JXMDKHMOWRXGNJ-SECBINFHSA-N -1 0 345.258 2.277 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000821538506 598209151 /nfs/dbraw/zinc/20/91/51/598209151.db2.gz PVYILEANQXBZOS-UHFFFAOYSA-N -1 0 344.279 2.203 20 5 EEBDRM C[C@@H](CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC1)C(=O)[O-] ZINC000262081576 599929913 /nfs/dbraw/zinc/92/99/13/599929913.db2.gz BLILNUBJCDPJHW-VIFPVBQESA-N -1 0 331.328 2.401 20 5 EEBDRM O=C([O-])[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000833115039 601062857 /nfs/dbraw/zinc/06/28/57/601062857.db2.gz UFQNNNYHVXCIPF-OAHLLOKOSA-N -1 0 349.270 2.482 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000833115038 601062976 /nfs/dbraw/zinc/06/29/76/601062976.db2.gz UFQNNNYHVXCIPF-HNNXBMFYSA-N -1 0 349.270 2.482 20 5 EEBDRM CC[C@](C)(NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828693502 601152237 /nfs/dbraw/zinc/15/22/37/601152237.db2.gz XYNMEXUPIOFVDI-LBPRGKRZSA-N -1 0 345.149 2.340 20 5 EEBDRM CC(C)[C@@H]1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000827702898 601561781 /nfs/dbraw/zinc/56/17/81/601561781.db2.gz CECHVYVBDIZPFZ-WCQYABFASA-N -1 0 349.387 2.280 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)C(=O)[O-] ZINC000827890570 601712670 /nfs/dbraw/zinc/71/26/70/601712670.db2.gz URCXLVPLCBSQKT-MRVPVSSYSA-N -1 0 344.751 2.243 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000833117756 601746840 /nfs/dbraw/zinc/74/68/40/601746840.db2.gz WWOTVANTWUIQIK-OAHLLOKOSA-N -1 0 332.287 2.219 20 5 EEBDRM Cc1cc(N2CCC(N3CCCC3=O)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889426 602316953 /nfs/dbraw/zinc/31/69/53/602316953.db2.gz NMGRKBUCNFMSFJ-UHFFFAOYSA-N -1 0 347.371 2.193 20 5 EEBDRM CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ncc(C(=O)[O-])s1 ZINC000830465102 602337294 /nfs/dbraw/zinc/33/72/94/602337294.db2.gz OCUCAXLCTQQINM-QPJJXVBHSA-N -1 0 333.325 2.426 20 5 EEBDRM O=C([O-])CCc1csc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000833240778 604346653 /nfs/dbraw/zinc/34/66/53/604346653.db2.gz OYWZCZZUKJOKNP-UHFFFAOYSA-N -1 0 339.304 2.460 20 5 EEBDRM O=C([O-])c1cccc(OCCn2cc(Cl)cc([N+](=O)[O-])c2=O)c1 ZINC000833332262 604632005 /nfs/dbraw/zinc/63/20/05/604632005.db2.gz JVBODQCUIIVEPK-UHFFFAOYSA-N -1 0 338.703 2.187 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCC1 ZINC000833766748 605021418 /nfs/dbraw/zinc/02/14/18/605021418.db2.gz LMJVPMRWWYQGOB-UHFFFAOYSA-N -1 0 331.328 2.451 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1cc(-c2nn[nH]n2)cs1 ZINC000823387771 606304602 /nfs/dbraw/zinc/30/46/02/606304602.db2.gz XFEOANGEHYBRMH-OWOJBTEDSA-N -1 0 344.312 2.100 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C\c2ccco2)ccc1[N+](=O)[O-] ZINC000255540520 678645750 /nfs/dbraw/zinc/64/57/50/678645750.db2.gz DJXRVTYIKODDGU-DAXSKMNVSA-N -1 0 336.325 2.015 20 5 EEBDRM COc1cc([C@H]2NC(=O)c3cccc(C)c3N2)cc([N+](=O)[O-])c1[O-] ZINC000028923402 683457223 /nfs/dbraw/zinc/45/72/23/683457223.db2.gz LWKGUJCWVUFQRV-OAHLLOKOSA-N -1 0 329.312 2.472 20 5 EEBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000121783108 1201666057 /nfs/dbraw/zinc/66/60/57/1201666057.db2.gz WMNIHTDHOJAIGB-MWLCHTKSSA-N -1 0 348.808 2.078 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H](Cc2nccs2)C1 ZINC000890217783 1202229500 /nfs/dbraw/zinc/22/95/00/1202229500.db2.gz NRROXWUBLYDFIH-JTQLQIEISA-N -1 0 333.369 2.462 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000078982560 1210478635 /nfs/dbraw/zinc/47/86/35/1210478635.db2.gz SNXKCHDKQCKPCD-UHFFFAOYSA-N -1 0 338.316 2.470 20 5 EEBDRM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000800398342 1234103185 /nfs/dbraw/zinc/10/31/85/1234103185.db2.gz IXDSMHQQPIHMLN-SECBINFHSA-N -1 0 332.353 2.365 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C(F)=C1CCCC1 ZINC000815916052 1278306138 /nfs/dbraw/zinc/30/61/38/1278306138.db2.gz JFFZZLKJVBCLQB-UHFFFAOYSA-N -1 0 346.311 2.336 20 5 EEBDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC001216484674 1297189864 /nfs/dbraw/zinc/18/98/64/1297189864.db2.gz WWALHNIWEFEOFN-UHFFFAOYSA-N -1 0 341.320 2.126 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC001226016213 1301233406 /nfs/dbraw/zinc/23/34/06/1301233406.db2.gz WEVPRDSTLFIDAX-BDAKNGLRSA-N -1 0 325.321 2.225 20 5 EEBDRM Cc1cc(=O)[n-]c(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC001226159139 1301279799 /nfs/dbraw/zinc/27/97/99/1301279799.db2.gz IMDYBWFCYXPDNF-JTQLQIEISA-N -1 0 334.307 2.196 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2ccccc2F)c1[N+](=O)[O-] ZINC001226653719 1301495764 /nfs/dbraw/zinc/49/57/64/1301495764.db2.gz YYYOZCBEXYCEQG-ZETCQYMHSA-N -1 0 337.263 2.156 20 5 EEBDRM CCOC(=O)[C@H]1CCC[C@H]1Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228602989 1302332806 /nfs/dbraw/zinc/33/28/06/1302332806.db2.gz HTLKNHDZODNKRX-VHSXEESVSA-N -1 0 337.332 2.078 20 5 EEBDRM CCOC(=O)[C@@H]1CC[C@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228609305 1302336395 /nfs/dbraw/zinc/33/63/95/1302336395.db2.gz CHNANCHKADZCNL-ZJUUUORDSA-N -1 0 337.332 2.078 20 5 EEBDRM CCOC(=O)[C@H]1CC[C@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])CC1 ZINC001231077556 1303613881 /nfs/dbraw/zinc/61/38/81/1303613881.db2.gz XGJGDVPWAZKTRS-ZKCHVHJHSA-N -1 0 345.739 2.245 20 5 EEBDRM COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000782814936 1304126881 /nfs/dbraw/zinc/12/68/81/1304126881.db2.gz MFAOBSDLWWHCJB-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM C[C@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000835077572 1314897954 /nfs/dbraw/zinc/89/79/54/1314897954.db2.gz SLUHFCAOLBSDRK-XPTSAGLGSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000835077573 1314898415 /nfs/dbraw/zinc/89/84/15/1314898415.db2.gz SLUHFCAOLBSDRK-YMTOWFKASA-N -1 0 344.364 2.365 20 5 EEBDRM Cn1cc2c(n1)CCC[C@H]2C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837703194 1315104240 /nfs/dbraw/zinc/10/42/40/1315104240.db2.gz DTABZBOLFUZGFH-GFCCVEGCSA-N -1 0 331.328 2.197 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1CC2(CCC2)C1 ZINC000842692730 1315755389 /nfs/dbraw/zinc/75/53/89/1315755389.db2.gz PPILVKKVHYHRJO-UHFFFAOYSA-N -1 0 338.385 2.288 20 5 EEBDRM O=C(OCc1cc(F)cc(N2CCOCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000843009675 1315818322 /nfs/dbraw/zinc/81/83/22/1315818322.db2.gz WFELOQJRLWLLBV-UHFFFAOYSA-N -1 0 349.318 2.256 20 5 EEBDRM CCOc1ccc([C@@H](CO)Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001162997993 1321009376 /nfs/dbraw/zinc/00/93/76/1321009376.db2.gz ZWOVWOFWRQXKRO-CYBMUJFWSA-N -1 0 347.327 2.232 20 5 EEBDRM O=C([O-])c1ccc(OCc2ncnn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC001602392372 1350509678 /nfs/dbraw/zinc/50/96/78/1350509678.db2.gz DOMLCIWHPUKVCI-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM COC[C@@H]1CCCCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001605071089 1351071744 /nfs/dbraw/zinc/07/17/44/1351071744.db2.gz AVXQVLJPMIVLFX-LLVKDONJSA-N -1 0 332.364 2.028 20 5 EEBDRM Cn1cc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001608120321 1351629086 /nfs/dbraw/zinc/62/90/86/1351629086.db2.gz BKGUZYCTXVVJNY-UHFFFAOYSA-N -1 0 338.707 2.119 20 5 EEBDRM O=C([O-])C1(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCOCC1 ZINC001608575325 1351719489 /nfs/dbraw/zinc/71/94/89/1351719489.db2.gz GAIFREDSUTUMRL-UHFFFAOYSA-N -1 0 331.328 2.340 20 5 EEBDRM O=C([O-])C1CCC(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001608619701 1351727215 /nfs/dbraw/zinc/72/72/15/1351727215.db2.gz VJFLIQYGJHRPER-UHFFFAOYSA-N -1 0 347.320 2.086 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](F)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001608812925 1351769265 /nfs/dbraw/zinc/76/92/65/1351769265.db2.gz BGGDPBCNGPLUAR-KWQFWETISA-N -1 0 347.140 2.354 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001318447912 1332539029 /nfs/dbraw/zinc/53/90/29/1332539029.db2.gz FDRVNPFSHTYENL-SNVBAGLBSA-N -1 0 343.405 2.132 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])s1 ZINC001608913799 1351792991 /nfs/dbraw/zinc/79/29/91/1351792991.db2.gz FUPBJHIEMUQFFC-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001608949523 1351801363 /nfs/dbraw/zinc/80/13/63/1351801363.db2.gz YTUINZVLFYCSKA-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM O=C([O-])[C@H](OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC001609011800 1351813731 /nfs/dbraw/zinc/81/37/31/1351813731.db2.gz GNLSVGPICVJULB-CYBMUJFWSA-N -1 0 345.263 2.306 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1sccc1Cl ZINC001322444139 1333264369 /nfs/dbraw/zinc/26/43/69/1333264369.db2.gz BEMBVLSZKXAOAG-UHFFFAOYSA-N -1 0 346.773 2.428 20 5 EEBDRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1 ZINC001328399573 1334454293 /nfs/dbraw/zinc/45/42/93/1334454293.db2.gz HFTRMNBGRJYACU-UHFFFAOYSA-N -1 0 336.373 2.483 20 5 EEBDRM CC(C)(C(=O)[O-])c1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC001609652079 1352050522 /nfs/dbraw/zinc/05/05/22/1352050522.db2.gz ILJGNFGMBASOQX-UHFFFAOYSA-N -1 0 344.327 2.195 20 5 EEBDRM C[C@H](C1CC1)N(C(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC001609725123 1352069623 /nfs/dbraw/zinc/06/96/23/1352069623.db2.gz KCIWPJDQVNXSGB-SNVBAGLBSA-N -1 0 348.355 2.461 20 5 EEBDRM C[C@@H](CCn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O)OCc1ccccc1 ZINC001609740702 1352074057 /nfs/dbraw/zinc/07/40/57/1352074057.db2.gz XLKGTNRREXCLGH-LBPRGKRZSA-N -1 0 346.339 2.450 20 5 EEBDRM COC(=O)c1cccc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])c1 ZINC001344043240 1337362833 /nfs/dbraw/zinc/36/28/33/1337362833.db2.gz XYAUGECBWKAZDR-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001610083535 1352158403 /nfs/dbraw/zinc/15/84/03/1352158403.db2.gz XWJLQLQSAWZHKW-UHFFFAOYSA-N -1 0 338.707 2.415 20 5 EEBDRM CNC(=O)[C@@H]1CCC[C@@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001610142963 1352172491 /nfs/dbraw/zinc/17/24/91/1352172491.db2.gz QGVPMCXLJVEUAS-KCJUWKMLSA-N -1 0 341.751 2.273 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001610348947 1352209050 /nfs/dbraw/zinc/20/90/50/1352209050.db2.gz LCNMMRNNNIDYEH-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCC[C@H]2c2ncc[nH]2)n1 ZINC001610436837 1352222112 /nfs/dbraw/zinc/22/21/12/1352222112.db2.gz HNGQLDKXVOMVKS-NSHDSACASA-N -1 0 331.332 2.451 20 5 EEBDRM Cc1ccoc1C(=O)NCCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610537451 1352240953 /nfs/dbraw/zinc/24/09/53/1352240953.db2.gz OIBQCGCBTIUACQ-UHFFFAOYSA-N -1 0 347.327 2.426 20 5 EEBDRM O=C([O-])c1ccccc1OC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001610853580 1352285878 /nfs/dbraw/zinc/28/58/78/1352285878.db2.gz XFBZIJKKGRNUDC-GFCCVEGCSA-N -1 0 333.296 2.112 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592197755 1349605420 /nfs/dbraw/zinc/60/54/20/1349605420.db2.gz QLZUWZNZXVOEOM-UHFFFAOYSA-N -1 0 343.299 2.342 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2cnn(CC(F)(F)F)c2)n1 ZINC001600106166 1349972328 /nfs/dbraw/zinc/97/23/28/1349972328.db2.gz DGAIKAUITVQJRM-UHFFFAOYSA-N -1 0 345.237 2.499 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](O)c2ccccc2F)n1 ZINC001600107159 1349972691 /nfs/dbraw/zinc/97/26/91/1349972691.db2.gz QJYSMAFKQVUNKR-GFCCVEGCSA-N -1 0 335.291 2.281 20 5 EEBDRM Cc1cc(C)c(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(=O)o1 ZINC001600159418 1349982563 /nfs/dbraw/zinc/98/25/63/1349982563.db2.gz RZWYQALENNZAPD-UHFFFAOYSA-N -1 0 333.252 2.082 20 5 EEBDRM Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)C(=O)[O-])cc1 ZINC001600377191 1350034295 /nfs/dbraw/zinc/03/42/95/1350034295.db2.gz LDUHAYWUYNMQLW-AWEZNQCLSA-N -1 0 343.339 2.205 20 5 EEBDRM Cc1ccc(OS(=O)(=O)C2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC001600472534 1350060167 /nfs/dbraw/zinc/06/01/67/1350060167.db2.gz NGFNMLMYQJJIJY-UHFFFAOYSA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001600552191 1350080525 /nfs/dbraw/zinc/08/05/25/1350080525.db2.gz QTMFBTNKWJOMQS-CLLJXQQHSA-N -1 0 349.387 2.415 20 5 EEBDRM Cc1cccnc1[C@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600590257 1350092044 /nfs/dbraw/zinc/09/20/44/1350092044.db2.gz VRWSKRAJJRTHAY-JTQLQIEISA-N -1 0 329.312 2.487 20 5 EEBDRM Cc1nn(CC(=O)[O-])c(C)c1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001600782138 1350135384 /nfs/dbraw/zinc/13/53/84/1350135384.db2.gz MMPRQBDNDBETNE-UHFFFAOYSA-N -1 0 339.739 2.153 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1cc(C(=O)[O-])co1 ZINC001601007538 1350188189 /nfs/dbraw/zinc/18/81/89/1350188189.db2.gz VPVDSGDMNCPLOF-UHFFFAOYSA-N -1 0 334.210 2.250 20 5 EEBDRM NC(=O)Cc1ccc(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001601152661 1350220798 /nfs/dbraw/zinc/22/07/98/1350220798.db2.gz JHDPACCRJNFXKJ-YWEYNIOJSA-N -1 0 341.323 2.464 20 5 EEBDRM Nc1c(NC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC001601211472 1350232143 /nfs/dbraw/zinc/23/21/43/1350232143.db2.gz NUVFDMSEGNKKGS-SFYZADRCSA-N -1 0 342.739 2.205 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001601217649 1350234097 /nfs/dbraw/zinc/23/40/97/1350234097.db2.gz PDIHGBPCNBOZCM-SNVBAGLBSA-N -1 0 341.323 2.396 20 5 EEBDRM O=C([O-])C1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001601262520 1350244204 /nfs/dbraw/zinc/24/42/04/1350244204.db2.gz PCEJUPPXHVEIFU-UHFFFAOYSA-N -1 0 348.355 2.319 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC001601364581 1350267488 /nfs/dbraw/zinc/26/74/88/1350267488.db2.gz DEKZHNQHCPMOIA-ZDUSSCGKSA-N -1 0 346.314 2.261 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001601401209 1350275242 /nfs/dbraw/zinc/27/52/42/1350275242.db2.gz ZLPZZVZHHVCDBP-ZDUSSCGKSA-N -1 0 348.336 2.147 20 5 EEBDRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001601408284 1350277283 /nfs/dbraw/zinc/27/72/83/1350277283.db2.gz FNZDROYYYPHXRU-KWQFWETISA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])c1occc1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001601433762 1350282931 /nfs/dbraw/zinc/28/29/31/1350282931.db2.gz LWCHOIOZSDOJCO-UHFFFAOYSA-N -1 0 345.311 2.390 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc2[nH]ccc21 ZINC001601584339 1350312922 /nfs/dbraw/zinc/31/29/22/1350312922.db2.gz CPUQEMBCDDJQGV-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])[C@@H](C[C@@H]1CCCOC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001601641817 1350326313 /nfs/dbraw/zinc/32/63/13/1350326313.db2.gz LWTQUARTAKBLSH-GZMMTYOYSA-N -1 0 329.740 2.325 20 5 EEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001601753752 1350356813 /nfs/dbraw/zinc/35/68/13/1350356813.db2.gz GUBNHYPSSCVDSM-WGIXJMRHSA-N -1 0 344.367 2.410 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@H]2CCCC23OCCO3)c([N+](=O)[O-])c1 ZINC001601883080 1350390045 /nfs/dbraw/zinc/39/00/45/1350390045.db2.gz QIPUGYNSQRGQAE-SDQPKGBYSA-N -1 0 334.328 2.400 20 5 EEBDRM O=C([O-])CCSc1ncccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001602034652 1350422608 /nfs/dbraw/zinc/42/26/08/1350422608.db2.gz NPBOAZWVOSSMBW-UHFFFAOYSA-N -1 0 348.340 2.204 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCOC[C@@H]2C(F)(F)F)c1 ZINC001602403264 1350511397 /nfs/dbraw/zinc/51/13/97/1350511397.db2.gz DEWYHTWGXRMOLA-LLVKDONJSA-N -1 0 334.250 2.056 20 5 EEBDRM O=C([O-])c1cccc(C(=O)COC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC001602432076 1350518139 /nfs/dbraw/zinc/51/81/39/1350518139.db2.gz XYTYOZZVASPAJG-UHFFFAOYSA-N -1 0 335.293 2.394 20 5 EEBDRM O=C([O-])c1cccc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC001602433780 1350518428 /nfs/dbraw/zinc/51/84/28/1350518428.db2.gz NPBAUDNBNUVNTJ-UHFFFAOYSA-N -1 0 346.295 2.314 20 5 EEBDRM O=C([O-])c1cnc(N2CCc3c(cccc3[N+](=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001602527863 1350539596 /nfs/dbraw/zinc/53/95/96/1350539596.db2.gz MAVBVEHNESRJIX-UHFFFAOYSA-N -1 0 344.283 2.159 20 5 EEBDRM O=C([O-])c1cncc(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC001602539201 1350541772 /nfs/dbraw/zinc/54/17/72/1350541772.db2.gz PAWVEQJAWSDFLJ-UHFFFAOYSA-N -1 0 338.222 2.323 20 5 EEBDRM C[C@H](CNC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccccc1[N+](=O)[O-] ZINC001604174766 1350883629 /nfs/dbraw/zinc/88/36/29/1350883629.db2.gz YKQLORJJEAJYLD-LLVKDONJSA-N -1 0 343.339 2.150 20 5 EEBDRM CCCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](C)C(=O)[O-] ZINC001605297871 1351128884 /nfs/dbraw/zinc/12/88/84/1351128884.db2.gz KQGAZMMANXZUFZ-SNVBAGLBSA-N -1 0 333.344 2.330 20 5 EEBDRM Cc1cc(CN(C)c2cc(C)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)no1 ZINC001605655809 1351211036 /nfs/dbraw/zinc/21/10/36/1351211036.db2.gz ORJCJIKOVWBIJO-UHFFFAOYSA-N -1 0 329.320 2.016 20 5 EEBDRM CCc1cccc(C(=O)[O-])c1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC001605827376 1351230082 /nfs/dbraw/zinc/23/00/82/1351230082.db2.gz TUDLMZXDZHKGIR-UHFFFAOYSA-N -1 0 332.316 2.324 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC001605925817 1351254792 /nfs/dbraw/zinc/25/47/92/1351254792.db2.gz JEABJRXYGQVQCY-GXFFZTMASA-N -1 0 346.343 2.003 20 5 EEBDRM CO[C@H]1COCC[C@H]1N(C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606767929 1351354170 /nfs/dbraw/zinc/35/41/70/1351354170.db2.gz AAQVWCWVRYTPGA-MFKMUULPSA-N -1 0 344.751 2.187 20 5 EEBDRM CSCCCN(C)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001607396903 1351486898 /nfs/dbraw/zinc/48/68/98/1351486898.db2.gz PMLDOXLQHROPTM-UHFFFAOYSA-N -1 0 329.334 2.391 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001607444779 1351495033 /nfs/dbraw/zinc/49/50/33/1351495033.db2.gz QPPOZYVVELLNNE-NXEZZACHSA-N -1 0 342.298 2.398 20 5 EEBDRM Cc1c(CC(=O)Nc2nc(CC(=O)[O-])cs2)cccc1[N+](=O)[O-] ZINC001607527108 1351510875 /nfs/dbraw/zinc/51/08/75/1351510875.db2.gz UIFNQWOVNJABKU-UHFFFAOYSA-N -1 0 335.341 2.168 20 5 EEBDRM Cc1c(NC(=O)N2CC[C@@H](CF)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607544372 1351513565 /nfs/dbraw/zinc/51/35/65/1351513565.db2.gz UEJQQAFVINEKGR-VIFPVBQESA-N -1 0 325.296 2.425 20 5 EEBDRM Cc1c(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)cnn1CC(=O)[O-] ZINC001607554270 1351514972 /nfs/dbraw/zinc/51/49/72/1351514972.db2.gz ODQMLHOCIGHALR-UHFFFAOYSA-N -1 0 345.237 2.342 20 5 EEBDRM O=C([O-])c1cccc(OCCOC(=O)Cc2ccccc2)c1[N+](=O)[O-] ZINC001608366226 1351679911 /nfs/dbraw/zinc/67/99/11/1351679911.db2.gz DLIKRKLWQYPXST-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC000171325814 1405729500 /nfs/dbraw/zinc/72/95/00/1405729500.db2.gz IPEHMGSMBXTRHT-UHFFFAOYSA-N -1 0 326.374 2.370 20 5 EEBDRM C[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000094188820 775039533 /nfs/dbraw/zinc/03/95/33/775039533.db2.gz SIZYWTRRHXHBRT-ZCFIWIBFSA-N -1 0 346.137 2.200 20 5 EEBDRM Cc1cnc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC001167937062 781006536 /nfs/dbraw/zinc/00/65/36/781006536.db2.gz QFRSLYJHKIGDRP-UHFFFAOYSA-N -1 0 349.283 2.383 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nn1C ZINC000817353183 784691666 /nfs/dbraw/zinc/69/16/66/784691666.db2.gz QBFSPBKVCDXRBW-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM CCCc1[nH]ccc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000817716340 784949919 /nfs/dbraw/zinc/94/99/19/784949919.db2.gz LFTPYOKSCNGDDR-UHFFFAOYSA-N -1 0 343.386 2.056 20 5 EEBDRM O=C([O-])C1(C(F)(F)F)CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000910471488 786802007 /nfs/dbraw/zinc/80/20/07/786802007.db2.gz QPWPSORLOJILCA-UHFFFAOYSA-N -1 0 325.268 2.285 20 5 EEBDRM C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000151525626 792718476 /nfs/dbraw/zinc/71/84/76/792718476.db2.gz RVCJNTYSFHXXOU-DGCLKSJQSA-N -1 0 340.401 2.367 20 5 EEBDRM COC(=O)c1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cnc1OC ZINC001176677889 798525356 /nfs/dbraw/zinc/52/53/56/798525356.db2.gz GLRDVZSSHYZITM-UHFFFAOYSA-N -1 0 347.283 2.227 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001589302954 953703190 /nfs/dbraw/zinc/70/31/90/953703190.db2.gz CHCNTSJISKRRRN-WDEREUQCSA-N -1 0 338.385 2.399 20 5 EEBDRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3ccsc3[N+](=O)[O-])C2)cn1 ZINC001594538428 955601252 /nfs/dbraw/zinc/60/12/52/955601252.db2.gz QBRPUHJFJBCIDU-ZJUUUORDSA-N -1 0 336.373 2.085 20 5 EEBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000852957207 955885301 /nfs/dbraw/zinc/88/53/01/955885301.db2.gz LZPXQPWMYUUZGO-UHFFFAOYSA-N -1 0 342.323 2.072 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594665460 956569645 /nfs/dbraw/zinc/56/96/45/956569645.db2.gz DHJATYZVWFPZRE-WCQYABFASA-N -1 0 341.323 2.220 20 5 EEBDRM COc1ccc(OC(=O)c2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001594107527 958484711 /nfs/dbraw/zinc/48/47/11/958484711.db2.gz NZADKBGIFCIRAK-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM O=C([O-])c1nn(Cc2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000229735874 960090890 /nfs/dbraw/zinc/09/08/90/960090890.db2.gz OZAUHFIXXUCHKL-UHFFFAOYSA-N -1 0 344.096 2.439 20 5 EEBDRM O=C([O-])[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000236443271 960607219 /nfs/dbraw/zinc/60/72/19/960607219.db2.gz HRHXQJAXXRBWRP-SNVBAGLBSA-N -1 0 329.150 2.406 20 5 EEBDRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ccccc3[N+](=O)[O-])C2)cn1 ZINC001574455079 961504067 /nfs/dbraw/zinc/50/40/67/961504067.db2.gz WBSYCTHPZBQKAO-VXGBXAGGSA-N -1 0 330.344 2.023 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001574140492 962568294 /nfs/dbraw/zinc/56/82/94/962568294.db2.gz GRCCQTWRIGSUJO-MRXNPFEDSA-N -1 0 331.328 2.071 20 5 EEBDRM Cn1nc(C(=O)[O-])cc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001605539861 973742215 /nfs/dbraw/zinc/74/22/15/973742215.db2.gz CFBSYCHXFKRQFC-UHFFFAOYSA-N -1 0 330.344 2.191 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001605709764 974141402 /nfs/dbraw/zinc/14/14/02/974141402.db2.gz YQEGXUQWJIYAKJ-KCJUWKMLSA-N -1 0 344.726 2.299 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001591712747 975610259 /nfs/dbraw/zinc/61/02/59/975610259.db2.gz XKIUHHCTBVNFNH-ZDUSSCGKSA-N -1 0 332.303 2.183 20 5 EEBDRM C[C@H](CC(N)=O)c1ccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001592453439 978154191 /nfs/dbraw/zinc/15/41/91/978154191.db2.gz VDOLSIBUEISSGL-SECBINFHSA-N -1 0 344.327 2.411 20 5 EEBDRM CC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595440859 981078264 /nfs/dbraw/zinc/07/82/64/981078264.db2.gz MLQURWUWZANDID-CABZTGNLSA-N -1 0 342.373 2.150 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001594886976 982268279 /nfs/dbraw/zinc/26/82/79/982268279.db2.gz HUDRCLRPMQTKSM-YMTOWFKASA-N -1 0 326.324 2.282 20 5 EEBDRM C/C(=C\CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588967102 984765169 /nfs/dbraw/zinc/76/51/69/984765169.db2.gz OSLNFVFDRYWWNQ-XBXARRHUSA-N -1 0 344.776 2.487 20 5 EEBDRM C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@]1(C)C(=O)[O-] ZINC001599923584 985170457 /nfs/dbraw/zinc/17/04/57/985170457.db2.gz KNBSGZSDZXKJOB-FVMDXXJSSA-N -1 0 331.328 2.259 20 5 EEBDRM CC(=O)c1cncc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001589322512 986133453 /nfs/dbraw/zinc/13/34/53/986133453.db2.gz FGIJBYBYLMZGFG-UHFFFAOYSA-N -1 0 343.295 2.451 20 5 EEBDRM C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001589378265 986441807 /nfs/dbraw/zinc/44/18/07/986441807.db2.gz GQBMTHJAFPFKTJ-GTNSWQLSSA-N -1 0 343.339 2.210 20 5 EEBDRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC001594583408 986448226 /nfs/dbraw/zinc/44/82/26/986448226.db2.gz HHTGQJUGCIPAKL-GMSGAONNSA-N -1 0 349.265 2.234 20 5 EEBDRM CCc1nn(C)c(NCc2nc3cc(C(=O)[O-])ccc3[nH]2)c1[N+](=O)[O-] ZINC001597718871 988997078 /nfs/dbraw/zinc/99/70/78/988997078.db2.gz VYCRKHHYRRDVBG-UHFFFAOYSA-N -1 0 344.331 2.077 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1Oc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001597942955 989920857 /nfs/dbraw/zinc/92/08/57/989920857.db2.gz HXUCWFPYOIURNU-UHFFFAOYSA-N -1 0 349.299 2.397 20 5 EEBDRM CCn1nc(C)cc1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001597945270 989928294 /nfs/dbraw/zinc/92/82/94/989928294.db2.gz XGLVBOLOSLPQFW-UHFFFAOYSA-N -1 0 333.300 2.175 20 5 EEBDRM CN(C(=O)CCc1ccccc1C(=O)[O-])c1ccc([N+](=O)[O-])nc1 ZINC001598018328 990200712 /nfs/dbraw/zinc/20/07/12/990200712.db2.gz LDKUWXGXSNASQX-UHFFFAOYSA-N -1 0 329.312 2.284 20 5 EEBDRM CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598068240 990363560 /nfs/dbraw/zinc/36/35/60/990363560.db2.gz MGXCKZSDDBFREP-BCMRRPTOSA-N -1 0 347.154 2.243 20 5 EEBDRM CN(C(=O)c1c(F)cccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001598073636 990378807 /nfs/dbraw/zinc/37/88/07/990378807.db2.gz ZVASIBJCTTYUEO-UHFFFAOYSA-N -1 0 325.277 2.165 20 5 EEBDRM CN(C)c1ccc(COC(=O)c2cc(C(=O)[O-])ccn2)cc1[N+](=O)[O-] ZINC001598320646 991317442 /nfs/dbraw/zinc/31/74/42/991317442.db2.gz KNBFVYARKICNBJ-UHFFFAOYSA-N -1 0 345.311 2.111 20 5 EEBDRM C[C@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001593069960 993615644 /nfs/dbraw/zinc/61/56/44/993615644.db2.gz ARMYGFMMIALIGW-NTZNESFSSA-N -1 0 335.360 2.408 20 5 EEBDRM COc1ccc(NC(=O)NCc2cc(C(=O)[O-])co2)c([N+](=O)[O-])c1 ZINC001599594569 993733136 /nfs/dbraw/zinc/73/31/36/993733136.db2.gz WMPGCJAZAIQWCS-UHFFFAOYSA-N -1 0 335.272 2.216 20 5 EEBDRM C[C@@](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593138431 993907971 /nfs/dbraw/zinc/90/79/71/993907971.db2.gz DTHCQXMGSQMLKR-OHILOLKFSA-N -1 0 347.154 2.075 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001599622443 994102798 /nfs/dbraw/zinc/10/27/98/994102798.db2.gz NGIUIDBFXKQXIX-INIZCTEOSA-N -1 0 344.323 2.456 20 5 EEBDRM COc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1[N+](=O)[O-] ZINC001599640618 994352792 /nfs/dbraw/zinc/35/27/92/994352792.db2.gz FLVCYJKAHAHDQK-LLVKDONJSA-N -1 0 336.325 2.221 20 5 EEBDRM C[C@@H](OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C(=O)[O-] ZINC001593546624 995620148 /nfs/dbraw/zinc/62/01/48/995620148.db2.gz FXCLUXNRSRETMT-JIMOISOXSA-N -1 0 349.339 2.310 20 5 EEBDRM COc1cc(Cn2nc(C)c(CCC(=O)[O-])c2C)ccc1[N+](=O)[O-] ZINC001599420838 997591491 /nfs/dbraw/zinc/59/14/91/997591491.db2.gz IOOSLEJNELVZIZ-UHFFFAOYSA-N -1 0 333.344 2.482 20 5 EEBDRM COCCN(CCF)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599236485 997955292 /nfs/dbraw/zinc/95/52/92/997955292.db2.gz JBZBYGNISPTSSB-UHFFFAOYSA-N -1 0 343.311 2.051 20 5 EEBDRM CC1=C(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CCCO1 ZINC001594092089 998047190 /nfs/dbraw/zinc/04/71/90/998047190.db2.gz KAIRWCBHOQCUKU-INIZCTEOSA-N -1 0 334.328 2.095 20 5 EEBDRM COc1ccc(CN(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1O ZINC001599558531 998142211 /nfs/dbraw/zinc/14/22/11/998142211.db2.gz HJUZELTXOUJXBU-UHFFFAOYSA-N -1 0 333.300 2.039 20 5 EEBDRM COc1cc(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001599355693 998174600 /nfs/dbraw/zinc/17/46/00/998174600.db2.gz GYTINJSMCGZSMG-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM C[C@H]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001594359244 999357163 /nfs/dbraw/zinc/35/71/63/999357163.db2.gz CONLPQYZQREVJD-UWVGGRQHSA-N -1 0 342.373 2.008 20 5 EEBDRM Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCC(F)(F)CC1 ZINC001519874835 1119111526 /nfs/dbraw/zinc/11/15/26/1119111526.db2.gz ZWIYXKJEIGWZCV-UHFFFAOYSA-N -1 0 339.302 2.331 20 5 EEBDRM O=C(Nc1ccc(-n2cccn2)nc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184628720 304001173 /nfs/dbraw/zinc/00/11/73/304001173.db2.gz SKYCENWXJLELRU-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C(Nc1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029284283 304020606 /nfs/dbraw/zinc/02/06/06/304020606.db2.gz RJKJROCJAQNMNW-UHFFFAOYSA-N -1 0 334.235 2.423 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2ncn(C)c2Cl)cccc1[N+](=O)[O-] ZINC000038104606 213202317 /nfs/dbraw/zinc/20/23/17/213202317.db2.gz IAQKTIDWSHHSSO-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM COc1ccc(OC)c(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000427926532 241496784 /nfs/dbraw/zinc/49/67/84/241496784.db2.gz RWCJAAHQILUZCU-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cnn1[C@H]1CCOC1 ZINC000456239644 244196636 /nfs/dbraw/zinc/19/66/36/244196636.db2.gz DLYBNJCJZDMCHA-NSHDSACASA-N -1 0 332.316 2.019 20 5 EEBDRM O=C([O-])[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000236456949 304183995 /nfs/dbraw/zinc/18/39/95/304183995.db2.gz UXUOVDVOUDAGMS-ZETCQYMHSA-N -1 0 330.138 2.053 20 5 EEBDRM O=C([O-])COc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000008906830 211017398 /nfs/dbraw/zinc/01/73/98/211017398.db2.gz SWQUZEWSSASRHM-UHFFFAOYSA-N -1 0 330.296 2.239 20 5 EEBDRM O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273322824 256286765 /nfs/dbraw/zinc/28/67/65/256286765.db2.gz LDOCDUXHYLMIHK-NHYWBVRUSA-N -1 0 338.385 2.085 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000119418886 221315951 /nfs/dbraw/zinc/31/59/51/221315951.db2.gz PWZWNAYWRSTVNH-SECBINFHSA-N -1 0 347.293 2.009 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000262979372 152350484 /nfs/dbraw/zinc/35/04/84/152350484.db2.gz KSRVEWATMBINQW-KRWDZBQOSA-N -1 0 345.355 2.332 20 5 EEBDRM CCOC1CC(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000263579211 160473369 /nfs/dbraw/zinc/47/33/69/160473369.db2.gz UHWXZPKNPXHBAK-UHFFFAOYSA-N -1 0 336.344 2.228 20 5 EEBDRM COc1cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC000327937833 160545364 /nfs/dbraw/zinc/54/53/64/160545364.db2.gz HMKWGIDHSFVDTB-LBPRGKRZSA-N -1 0 342.307 2.432 20 5 EEBDRM CCc1cnc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000237015068 160219813 /nfs/dbraw/zinc/21/98/13/160219813.db2.gz KTRKZCFWTWTVIR-UHFFFAOYSA-N -1 0 335.341 2.242 20 5 EEBDRM C[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000424252029 299821201 /nfs/dbraw/zinc/82/12/01/299821201.db2.gz JWNJACSUQKOMEW-XHDPSFHLSA-N -1 0 336.344 2.075 20 5 EEBDRM CCC(CC)(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000342531905 161072231 /nfs/dbraw/zinc/07/22/31/161072231.db2.gz UGJSOWNQVOCNMQ-UHFFFAOYSA-N -1 0 333.344 2.378 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1OC ZINC000342725511 161086070 /nfs/dbraw/zinc/08/60/70/161086070.db2.gz GEPBEGZRRBMGMH-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nccn2ccnc12 ZINC000345337937 161293493 /nfs/dbraw/zinc/29/34/93/161293493.db2.gz SGECHWPVYLHFSR-UHFFFAOYSA-N -1 0 333.691 2.249 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)c([N+](=O)[O-])c1 ZINC000359854472 164185490 /nfs/dbraw/zinc/18/54/90/164185490.db2.gz XYAAVAINDMOULU-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272659146 269004717 /nfs/dbraw/zinc/00/47/17/269004717.db2.gz HBCLKXWPRVRBRJ-KFWWJZLASA-N -1 0 332.356 2.378 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272679254 269007703 /nfs/dbraw/zinc/00/77/03/269007703.db2.gz MZYLJRLTNKPXAW-FFYNENJZSA-N -1 0 340.401 2.110 20 5 EEBDRM CCOC(=O)C(C)(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272773115 269018501 /nfs/dbraw/zinc/01/85/01/269018501.db2.gz SRFJQIWAWQHWGS-UHFFFAOYSA-N -1 0 330.724 2.482 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)NCCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000277278609 269146465 /nfs/dbraw/zinc/14/64/65/269146465.db2.gz PLCMOXVSMRHQPX-UHFFFAOYSA-N -1 0 344.389 2.135 20 5 EEBDRM CC(C)[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000271649865 274147122 /nfs/dbraw/zinc/14/71/22/274147122.db2.gz HVDHLNFKVNISPZ-GXFFZTMASA-N -1 0 346.380 2.216 20 5 EEBDRM O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000290761167 275236935 /nfs/dbraw/zinc/23/69/35/275236935.db2.gz BCTQURPQMOQCSX-KDOFPFPSSA-N -1 0 342.351 2.196 20 5 EEBDRM CC[C@H](C)CO[N-]C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000292132935 275381689 /nfs/dbraw/zinc/38/16/89/275381689.db2.gz PWYAFXLCWKKULH-VIFPVBQESA-N -1 0 343.767 2.072 20 5 EEBDRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000263561571 281465763 /nfs/dbraw/zinc/46/57/63/281465763.db2.gz RZPPZQSJHRJMEU-KGLIPLIRSA-N -1 0 332.356 2.443 20 5 EEBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cnn1[C@@H]1CCOC1 ZINC000456239635 300980281 /nfs/dbraw/zinc/98/02/81/300980281.db2.gz DLYBNJCJZDMCHA-LLVKDONJSA-N -1 0 332.316 2.019 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2 ZINC000071091526 302050918 /nfs/dbraw/zinc/05/09/18/302050918.db2.gz SOPYGSCMKDCXQX-UHFFFAOYSA-N -1 0 347.352 2.199 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)n1 ZINC000160681523 311357526 /nfs/dbraw/zinc/35/75/26/311357526.db2.gz NIBYGQJWXSSHPD-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000324947902 311601301 /nfs/dbraw/zinc/60/13/01/311601301.db2.gz ZSFJZSDPMSXPRY-JTQLQIEISA-N -1 0 337.332 2.322 20 5 EEBDRM O=C(Nc1cc(CSCCO)ccn1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000344127607 312268568 /nfs/dbraw/zinc/26/85/68/312268568.db2.gz NXSWGZZONROKEX-UHFFFAOYSA-N -1 0 349.368 2.173 20 5 EEBDRM O=C([O-])[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000416384833 313209309 /nfs/dbraw/zinc/20/93/09/313209309.db2.gz FKCHHEXLUKWXPD-CYBMUJFWSA-N -1 0 343.339 2.480 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000416445157 313224804 /nfs/dbraw/zinc/22/48/04/313224804.db2.gz KCQJORFIXJCKCA-BXUZGUMPSA-N -1 0 335.360 2.025 20 5 EEBDRM CCOC[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000417662331 313559711 /nfs/dbraw/zinc/55/97/11/313559711.db2.gz UKKNOPKWLBFZIS-CQSZACIVSA-N -1 0 334.328 2.434 20 5 EEBDRM O=C(NCCc1ccc2c[nH]nc2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436706303 314990421 /nfs/dbraw/zinc/99/04/21/314990421.db2.gz CHKIIMCGXZSRDP-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436969802 315017909 /nfs/dbraw/zinc/01/79/09/315017909.db2.gz ANETUKJHFFURFI-NEPJUHHUSA-N -1 0 349.387 2.114 20 5 EEBDRM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(F)c([O-])c(F)c1 ZINC000444630707 315312732 /nfs/dbraw/zinc/31/27/32/315312732.db2.gz HZFMXSLDKNTAEJ-UHFFFAOYSA-N -1 0 348.265 2.385 20 5 EEBDRM CC(C)(C)CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000449134760 315421537 /nfs/dbraw/zinc/42/15/37/315421537.db2.gz LGURVILFVJANFL-CYBMUJFWSA-N -1 0 338.360 2.369 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000515642971 316509916 /nfs/dbraw/zinc/50/99/16/316509916.db2.gz DEKNWBCPHWZPSG-SUNKGSAMSA-N -1 0 335.360 2.408 20 5 EEBDRM COC(=O)CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000541861506 318113027 /nfs/dbraw/zinc/11/30/27/318113027.db2.gz BGDIEMBRQVMHOT-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM CC(=O)Nc1ccccc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000541880236 318115394 /nfs/dbraw/zinc/11/53/94/318115394.db2.gz FHRURBVRNLXXOX-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM CCCN(C(C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000564344465 319080543 /nfs/dbraw/zinc/08/05/43/319080543.db2.gz QWFGPQKHOILGKZ-UHFFFAOYSA-N -1 0 330.362 2.102 20 5 EEBDRM O=C([O-])c1cnc(N[C@@H]2CCO[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000566291431 319270177 /nfs/dbraw/zinc/27/01/77/319270177.db2.gz RAEMLWPQKWVLNO-TZMCWYRMSA-N -1 0 344.327 2.415 20 5 EEBDRM C[C@H](CC(C)(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566317434 319274123 /nfs/dbraw/zinc/27/41/23/319274123.db2.gz OLMUCISMWRWNPG-SECBINFHSA-N -1 0 344.389 2.396 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)CC(=O)[O-] ZINC000566504829 319295649 /nfs/dbraw/zinc/29/56/49/319295649.db2.gz AWXNSTPIJHVIQX-VHSXEESVSA-N -1 0 326.374 2.397 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1c1ccccc1 ZINC000567166628 319354556 /nfs/dbraw/zinc/35/45/56/319354556.db2.gz HEFVPKWLPHNPQZ-NWDGAFQWSA-N -1 0 330.296 2.128 20 5 EEBDRM CC(C)n1ncc2c1C[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])CC2 ZINC000571926242 319799654 /nfs/dbraw/zinc/79/96/54/319799654.db2.gz MMTCBYDXCBEOEC-NSHDSACASA-N -1 0 345.359 2.435 20 5 EEBDRM O=C([O-])c1cnc(N2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000577875321 320281779 /nfs/dbraw/zinc/28/17/79/320281779.db2.gz XLGYPYFRGRNOLU-CYBMUJFWSA-N -1 0 328.328 2.379 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H]1c1ncon1 ZINC000577962272 320286260 /nfs/dbraw/zinc/28/62/60/320286260.db2.gz PNOFXUXDFHVXKP-VIFPVBQESA-N -1 0 338.707 2.314 20 5 EEBDRM CCn1c(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)nc2cc(F)ccc21 ZINC000182804991 323388865 /nfs/dbraw/zinc/38/88/65/323388865.db2.gz RAYMDUSBDBMROJ-UHFFFAOYSA-N -1 0 345.290 2.456 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](O)[C@H](C3CCCC3)C2)n1 ZINC000579013645 323759331 /nfs/dbraw/zinc/75/93/31/323759331.db2.gz FVRYFDCYNBCZEE-SMDDNHRTSA-N -1 0 335.360 2.065 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000326478343 465039537 /nfs/dbraw/zinc/03/95/37/465039537.db2.gz KGYUZTNSNJJFLO-HNNXBMFYSA-N -1 0 343.339 2.262 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1O ZINC000351757030 465343345 /nfs/dbraw/zinc/34/33/45/465343345.db2.gz SDIFNHZKIQIHLM-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM Cn1cnc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)c2)n1 ZINC000128350393 462630885 /nfs/dbraw/zinc/63/08/85/462630885.db2.gz HIRCSZUEPPHZRQ-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM Cc1nn(C)c2ncc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc12 ZINC000130371322 462751804 /nfs/dbraw/zinc/75/18/04/462751804.db2.gz NNTILMZJAPSLGV-UHFFFAOYSA-N -1 0 327.300 2.143 20 5 EEBDRM O=C(NCc1ccn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000131290681 462802757 /nfs/dbraw/zinc/80/27/57/462802757.db2.gz RHKRQLNYQZTHAY-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000013278375 462889602 /nfs/dbraw/zinc/88/96/02/462889602.db2.gz WJUBNQIZYAUOPN-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032588993 463381915 /nfs/dbraw/zinc/38/19/15/463381915.db2.gz UTZQELLDQDKJNW-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c([N+](=O)[O-])c1 ZINC000071081850 463406760 /nfs/dbraw/zinc/40/67/60/463406760.db2.gz YRWQDZWQHPDERZ-UHFFFAOYSA-N -1 0 347.352 2.199 20 5 EEBDRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000162027521 463479043 /nfs/dbraw/zinc/47/90/43/463479043.db2.gz IKTYKNBOFOUJRL-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000151487891 463538766 /nfs/dbraw/zinc/53/87/66/463538766.db2.gz DWOLVYMXKSKHNK-UHFFFAOYSA-N -1 0 342.290 2.095 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000194740639 463920465 /nfs/dbraw/zinc/92/04/65/463920465.db2.gz MJGWJCAUKYNMDI-UHFFFAOYSA-N -1 0 326.334 2.040 20 5 EEBDRM CC[C@H](C)c1nnc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[nH]1 ZINC000278039540 463941949 /nfs/dbraw/zinc/94/19/49/463941949.db2.gz ZEELIJFPYDYQOC-IUCAKERBSA-N -1 0 333.348 2.423 20 5 EEBDRM C[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269487676 463998679 /nfs/dbraw/zinc/99/86/79/463998679.db2.gz QZYVNOKZSBTIKC-HTQZYQBOSA-N -1 0 349.206 2.292 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H](OCC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000263526557 464124223 /nfs/dbraw/zinc/12/42/23/464124223.db2.gz KEICMOZRHPXZJI-HNNXBMFYSA-N -1 0 348.355 2.324 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1nc(C(C)(C)C)no1 ZINC000179526524 464152197 /nfs/dbraw/zinc/15/21/97/464152197.db2.gz KLINQXLVVOALSD-MRVPVSSYSA-N -1 0 334.332 2.472 20 5 EEBDRM CN([C@@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000281165971 464356850 /nfs/dbraw/zinc/35/68/50/464356850.db2.gz BRJHNINOSFYFIZ-LBPRGKRZSA-N -1 0 344.389 2.105 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCn2ccnc2C1 ZINC000180789495 464396195 /nfs/dbraw/zinc/39/61/95/464396195.db2.gz ZKKGZXPAYLISQM-MRVPVSSYSA-N -1 0 336.735 2.351 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCN(CC(F)(F)F)C1 ZINC000281448777 464458559 /nfs/dbraw/zinc/45/85/59/464458559.db2.gz FOYYFHYHVJFIJJ-MRVPVSSYSA-N -1 0 333.266 2.123 20 5 EEBDRM CC(C)(C)OC(=O)NCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272106869 464480813 /nfs/dbraw/zinc/48/08/13/464480813.db2.gz NVOQICGDSLHBQZ-UHFFFAOYSA-N -1 0 345.739 2.417 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCN(CC(F)(F)F)CC1 ZINC000181931203 464539118 /nfs/dbraw/zinc/53/91/18/464539118.db2.gz HVITUBYHRXPHHS-UHFFFAOYSA-N -1 0 347.293 2.011 20 5 EEBDRM COc1ccc(S(=O)(=O)NCC2(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000175830042 464635921 /nfs/dbraw/zinc/63/59/21/464635921.db2.gz SJJBJTPANOXOBU-UHFFFAOYSA-N -1 0 328.390 2.318 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000248515889 464761060 /nfs/dbraw/zinc/76/10/60/464761060.db2.gz OLBSXEXLRQSSMN-WCBZVUCDSA-N -1 0 340.401 2.110 20 5 EEBDRM Cc1cccc(N(CCC(N)=O)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000183519483 464874234 /nfs/dbraw/zinc/87/42/34/464874234.db2.gz SKVRUFXTTWUDEQ-UHFFFAOYSA-N -1 0 343.339 2.131 20 5 EEBDRM CCOC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000276615383 465002061 /nfs/dbraw/zinc/00/20/61/465002061.db2.gz DOQTWMPOLHODPW-LLVKDONJSA-N -1 0 334.369 2.073 20 5 EEBDRM COC(=O)c1ccc(CN(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356341148 465322879 /nfs/dbraw/zinc/32/28/79/465322879.db2.gz NOPHXLJRFMAACL-UHFFFAOYSA-N -1 0 344.323 2.359 20 5 EEBDRM Cc1ccc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)cc1[N+](=O)[O-] ZINC000339600025 465375938 /nfs/dbraw/zinc/37/59/38/465375938.db2.gz GDDBUSNAGLAWMT-UHFFFAOYSA-N -1 0 341.352 2.491 20 5 EEBDRM Cc1ccnc([C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C2CC2)n1 ZINC000356738311 465514155 /nfs/dbraw/zinc/51/41/55/465514155.db2.gz ZULSQIUHKKGLCL-AWEZNQCLSA-N -1 0 328.328 2.280 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000569127337 468444139 /nfs/dbraw/zinc/44/41/39/468444139.db2.gz DCNUPFRSFBLOKI-KGLIPLIRSA-N -1 0 349.387 2.092 20 5 EEBDRM C[S@@](=O)c1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000362493814 465781464 /nfs/dbraw/zinc/78/14/64/465781464.db2.gz ZSNLRJOTSIKDJH-XMMPIXPASA-N -1 0 348.336 2.283 20 5 EEBDRM C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])Cc2ccccc2C(=O)O1 ZINC000367015012 466073302 /nfs/dbraw/zinc/07/33/02/466073302.db2.gz YZBXERCLMOJOFX-QGZVFWFLSA-N -1 0 342.307 2.411 20 5 EEBDRM Cn1cc([C@H]2CCCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000331949923 466320078 /nfs/dbraw/zinc/32/00/78/466320078.db2.gz SNUFKPJEUODWBO-CYBMUJFWSA-N -1 0 330.344 2.401 20 5 EEBDRM COc1cccc(Cc2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)n1 ZINC000350647522 466563866 /nfs/dbraw/zinc/56/38/66/466563866.db2.gz ZYEYOSMRZKZFDH-UHFFFAOYSA-N -1 0 328.284 2.345 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000375067621 466794425 /nfs/dbraw/zinc/79/44/25/466794425.db2.gz YOCFCHINNBQPOC-KRWDZBQOSA-N -1 0 346.314 2.173 20 5 EEBDRM Cc1ccc2nc(CNC(=O)c3ccc([N+](=O)[O-])cc3[O-])cn2c1 ZINC000436768902 467553794 /nfs/dbraw/zinc/55/37/94/467553794.db2.gz ITHTYQZDNBWNJW-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM O=C([O-])CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000493586302 467942841 /nfs/dbraw/zinc/94/28/41/467942841.db2.gz OSBIKKCHQQCAHU-SNAWJCMRSA-N -1 0 348.355 2.090 20 5 EEBDRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000496361234 468192717 /nfs/dbraw/zinc/19/27/17/468192717.db2.gz MQGYLBGZKGUSAI-SECBINFHSA-N -1 0 340.332 2.257 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(F)c1F ZINC000534304724 468247877 /nfs/dbraw/zinc/24/78/77/468247877.db2.gz ROAMYBBDKPLGBA-MRVPVSSYSA-N -1 0 343.311 2.308 20 5 EEBDRM CCC[C@](C)(NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000592145689 468636865 /nfs/dbraw/zinc/63/68/65/468636865.db2.gz XEPKWLQTDJLEHJ-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])c1ccc2c(c1)[C@@H](CNc1ncc([N+](=O)[O-])cn1)CCC2 ZINC000594735464 468667515 /nfs/dbraw/zinc/66/75/15/468667515.db2.gz GVFMHOOWMDKTQF-GFCCVEGCSA-N -1 0 328.328 2.615 20 5 EEBDRM COc1cccc(OC)c1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000594734729 468668120 /nfs/dbraw/zinc/66/81/20/468668120.db2.gz AMMIRPXWNKDACG-UHFFFAOYSA-N -1 0 347.327 2.626 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@@H](OC)C(C)C ZINC000592353935 468681198 /nfs/dbraw/zinc/68/11/98/468681198.db2.gz UCLWGZLATIOCIK-CYBMUJFWSA-N -1 0 331.394 2.049 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CCSC3)C2)n1 ZINC000583633604 468732534 /nfs/dbraw/zinc/73/25/34/468732534.db2.gz NWOBYCFWNXSLGP-OTYXRUKQSA-N -1 0 339.373 2.155 20 5 EEBDRM CCOc1cccc(N2CCSC[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000583997701 468784365 /nfs/dbraw/zinc/78/43/65/468784365.db2.gz QFMNPZUATJPEAO-JTQLQIEISA-N -1 0 326.374 2.248 20 5 EEBDRM Cn1cc([C@H]2N(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2(C)C)cn1 ZINC000571411193 468785849 /nfs/dbraw/zinc/78/58/49/468785849.db2.gz VRFSLQMOSRZNES-CQSZACIVSA-N -1 0 330.344 2.257 20 5 EEBDRM CCOc1ccc(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000595251566 468793619 /nfs/dbraw/zinc/79/36/19/468793619.db2.gz SLFXSGDSNCNSBR-XJKSGUPXSA-N -1 0 336.344 2.367 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncon1 ZINC000571685965 468824440 /nfs/dbraw/zinc/82/44/40/468824440.db2.gz TYIIOILTDRFLIA-SNVBAGLBSA-N -1 0 340.723 2.464 20 5 EEBDRM O=C([O-])c1ccc(N2CCN(c3sccc3[N+](=O)[O-])CC2)nc1 ZINC000592980217 468833277 /nfs/dbraw/zinc/83/32/77/468833277.db2.gz PDSXHIPDNWUMIG-UHFFFAOYSA-N -1 0 334.357 2.076 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000598661927 468950486 /nfs/dbraw/zinc/95/04/86/468950486.db2.gz OSMZRZOBIQYOKF-KBPBESRZSA-N -1 0 329.312 2.353 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC(C)(C)C2(O)CCCC2)n1 ZINC000563204734 469198198 /nfs/dbraw/zinc/19/81/98/469198198.db2.gz ILXQPFDKYVYTGI-UHFFFAOYSA-N -1 0 337.376 2.740 20 5 EEBDRM CCN(Cc1ccc2c(c1)OCO2)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563208287 469200487 /nfs/dbraw/zinc/20/04/87/469200487.db2.gz WCLRTBHBKFHMJS-UHFFFAOYSA-N -1 0 345.311 2.443 20 5 EEBDRM O=C(NCCN1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534687 469274423 /nfs/dbraw/zinc/27/44/23/469274423.db2.gz OIOIVSRNOKHOCQ-UHFFFAOYSA-N -1 0 327.340 2.046 20 5 EEBDRM CC(C)c1cc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])on1 ZINC000609626064 469951393 /nfs/dbraw/zinc/95/13/93/469951393.db2.gz QDWRTDSLLGOTPU-UHFFFAOYSA-N -1 0 343.336 2.324 20 5 EEBDRM COCCOc1cccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000738064563 577997959 /nfs/dbraw/zinc/99/79/59/577997959.db2.gz NMSOHVRLTGAIKF-UHFFFAOYSA-N -1 0 333.300 2.457 20 5 EEBDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000738350484 578010418 /nfs/dbraw/zinc/01/04/18/578010418.db2.gz FGRZJMVJCYXKBX-AWEZNQCLSA-N -1 0 330.296 2.468 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000738465772 578016225 /nfs/dbraw/zinc/01/62/25/578016225.db2.gz LRFXMQRAWOTJPZ-GFCCVEGCSA-N -1 0 341.751 2.126 20 5 EEBDRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000762012950 577693266 /nfs/dbraw/zinc/69/32/66/577693266.db2.gz MXVPKKODEWIIDM-SNVBAGLBSA-N -1 0 328.390 2.472 20 5 EEBDRM O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000744227150 577894888 /nfs/dbraw/zinc/89/48/88/577894888.db2.gz MXYRXCYNVDJFKJ-CYBMUJFWSA-N -1 0 343.339 2.128 20 5 EEBDRM Cc1cccc(CNC(=O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000738718077 578024781 /nfs/dbraw/zinc/02/47/81/578024781.db2.gz VNOBVEOSRXWCKA-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1nn(CCC(=O)OCc2cccc(C(=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC000738922500 578031192 /nfs/dbraw/zinc/03/11/92/578031192.db2.gz JOIROFFGAUYLIR-UHFFFAOYSA-N -1 0 347.327 2.240 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cn2cnc3ccccc32)cc([N+](=O)[O-])c1 ZINC000739362944 578050423 /nfs/dbraw/zinc/05/04/23/578050423.db2.gz XLPPQCRXPKORRL-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000739554980 578058208 /nfs/dbraw/zinc/05/82/08/578058208.db2.gz CSEOHUFNDSWLOA-RYUDHWBXSA-N -1 0 332.268 2.014 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])cs1 ZINC000740090121 578080416 /nfs/dbraw/zinc/08/04/16/578080416.db2.gz SOGSZPIOHUKZQK-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000736377276 578199668 /nfs/dbraw/zinc/19/96/68/578199668.db2.gz ZAMQNCWFVYZJGD-JTQLQIEISA-N -1 0 347.274 2.427 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N(C)CC2CCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657491 578216850 /nfs/dbraw/zinc/21/68/50/578216850.db2.gz SOUIFANDNUXYAV-SNVBAGLBSA-N -1 0 335.360 2.034 20 5 EEBDRM CCc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000737268104 578247153 /nfs/dbraw/zinc/24/71/53/578247153.db2.gz QFBJXFBNWSGSLT-UHFFFAOYSA-N -1 0 341.297 2.216 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000821431992 597420012 /nfs/dbraw/zinc/42/00/12/597420012.db2.gz MSRVZKSQRGZQBW-UHFFFAOYSA-N -1 0 343.339 2.335 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000013268170 600106603 /nfs/dbraw/zinc/10/66/03/600106603.db2.gz SKPNPFHTEURPNZ-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM CN(CC(=O)OCc1ccc(C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000830701860 600726165 /nfs/dbraw/zinc/72/61/65/600726165.db2.gz HEIOYPZBLQZBHZ-UHFFFAOYSA-N -1 0 344.323 2.473 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 ZINC000833125956 600977197 /nfs/dbraw/zinc/97/71/97/600977197.db2.gz ISBIMLBJRHHGQH-GFCCVEGCSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc3n[nH]cc3c2)cc([N+](=O)[O-])c1 ZINC000833299578 601084085 /nfs/dbraw/zinc/08/40/85/601084085.db2.gz AVNFHJLJUCKIED-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM Cc1cc(OS(=O)(=O)c2ccccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000832900588 601184934 /nfs/dbraw/zinc/18/49/34/601184934.db2.gz HBLGAVWUDDBMOJ-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cn1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000833045985 601312413 /nfs/dbraw/zinc/31/24/13/601312413.db2.gz UYUFWMFFIVWPMB-UHFFFAOYSA-N -1 0 332.316 2.072 20 5 EEBDRM CC(C)C[C@H](NC(=O)COc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000826794250 602125131 /nfs/dbraw/zinc/12/51/31/602125131.db2.gz WUEPJZJQOFDHIW-JTQLQIEISA-N -1 0 344.751 2.243 20 5 EEBDRM C[C@H](CC(=O)[O-])C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000827349943 602193262 /nfs/dbraw/zinc/19/32/62/602193262.db2.gz USOZYLALVLSUAE-SECBINFHSA-N -1 0 334.284 2.404 20 5 EEBDRM CC[C@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000833646434 605015891 /nfs/dbraw/zinc/01/58/91/605015891.db2.gz VPZNTWIECVFXHJ-JTQLQIEISA-N -1 0 331.708 2.424 20 5 EEBDRM O=C([O-])CCSCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000833774857 605046272 /nfs/dbraw/zinc/04/62/72/605046272.db2.gz JTUMUZCTXQASGI-UHFFFAOYSA-N -1 0 332.765 2.186 20 5 EEBDRM C[C@H](Oc1ccc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1)C(N)=O ZINC000833539711 605187471 /nfs/dbraw/zinc/18/74/71/605187471.db2.gz PLTXQGKUSBDCOS-VIFPVBQESA-N -1 0 346.295 2.338 20 5 EEBDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000263342333 678182047 /nfs/dbraw/zinc/18/20/47/678182047.db2.gz SHGFGQIIUXPAKP-SNVBAGLBSA-N -1 0 332.316 2.008 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cnn1C ZINC000176972359 679793354 /nfs/dbraw/zinc/79/33/54/679793354.db2.gz GTMZGCIPENGHFS-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM O=C([O-])C1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000263389568 689766470 /nfs/dbraw/zinc/76/64/70/689766470.db2.gz FWFKUHMUDLDEEC-UHFFFAOYSA-N -1 0 332.316 2.299 20 5 EEBDRM O=C(N[C@H]1CCc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436661316 694443996 /nfs/dbraw/zinc/44/39/96/694443996.db2.gz FBZSXZDAGHBEBQ-LBPRGKRZSA-N -1 0 328.324 2.424 20 5 EEBDRM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120558679 1198209050 /nfs/dbraw/zinc/20/90/50/1198209050.db2.gz LPDFJCHVRLDPRQ-VHSXEESVSA-N -1 0 344.364 2.365 20 5 EEBDRM COc1cc([C@H]2Nc3cc(C)ccc3C(=O)N2)cc([N+](=O)[O-])c1[O-] ZINC000877863985 1200141575 /nfs/dbraw/zinc/14/15/75/1200141575.db2.gz NFPTWZFRUXFOJA-HNNXBMFYSA-N -1 0 329.312 2.472 20 5 EEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000879764863 1201248149 /nfs/dbraw/zinc/24/81/49/1201248149.db2.gz JQASPQAKJGIZDM-CYBMUJFWSA-N -1 0 349.284 2.377 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)CC1(CC2)OCCO1 ZINC000887288871 1204255566 /nfs/dbraw/zinc/25/55/66/1204255566.db2.gz GENFQAOSOJAZCY-GFCCVEGCSA-N -1 0 331.328 2.149 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)CC1(CC2)OCCO1 ZINC000887288872 1204255649 /nfs/dbraw/zinc/25/56/49/1204255649.db2.gz GENFQAOSOJAZCY-LBPRGKRZSA-N -1 0 331.328 2.149 20 5 EEBDRM O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000778798944 1208358321 /nfs/dbraw/zinc/35/83/21/1208358321.db2.gz HTIXKSZBZDNCCQ-GFCCVEGCSA-N -1 0 346.299 2.267 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2n[n-]c(C)cc2=O)c1 ZINC000802171657 1237046523 /nfs/dbraw/zinc/04/65/23/1237046523.db2.gz OACMZXMMWSXXND-UHFFFAOYSA-N -1 0 335.341 2.478 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC2(CC2)CC1 ZINC000850730363 1277318597 /nfs/dbraw/zinc/31/85/97/1277318597.db2.gz BTKWIORNBGOCQN-UHFFFAOYSA-N -1 0 338.385 2.370 20 5 EEBDRM Cc1nc(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000853986548 1292569861 /nfs/dbraw/zinc/56/98/61/1292569861.db2.gz MGSVVPOSUROMRR-SCZZXKLOSA-N -1 0 346.309 2.192 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC001226018656 1301234543 /nfs/dbraw/zinc/23/45/43/1301234543.db2.gz PQTSQDGSZSCRSF-NSHDSACASA-N -1 0 345.311 2.333 20 5 EEBDRM CCC[C@@H](Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-])C(C)C ZINC001226021666 1301235893 /nfs/dbraw/zinc/23/58/93/1301235893.db2.gz TUOSHRAMSYYPCX-SECBINFHSA-N -1 0 327.337 2.471 20 5 EEBDRM CC(C)[C@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001231073251 1303613082 /nfs/dbraw/zinc/61/30/82/1303613082.db2.gz ZKYVPFBKAMLPMP-QMMMGPOBSA-N -1 0 347.755 2.489 20 5 EEBDRM CC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000835275684 1314908843 /nfs/dbraw/zinc/90/88/43/1314908843.db2.gz GKJMROIHXFAFMA-VHSXEESVSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000836756892 1315023166 /nfs/dbraw/zinc/02/31/66/1315023166.db2.gz YEIOEVJKCQWKDV-YPMHNXCESA-N -1 0 347.371 2.130 20 5 EEBDRM CC(=O)NC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCCCC1 ZINC000837450693 1315084122 /nfs/dbraw/zinc/08/41/22/1315084122.db2.gz ABEZUXLGMNAARV-UHFFFAOYSA-N -1 0 336.344 2.183 20 5 EEBDRM CNC(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])c([O-])c1)n2C ZINC001250881060 1317358410 /nfs/dbraw/zinc/35/84/10/1317358410.db2.gz RWEDOQBQKZQMAM-UHFFFAOYSA-N -1 0 326.312 2.214 20 5 EEBDRM O=C([N-]CCNc1nc(Cl)c(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC001156199472 1317916555 /nfs/dbraw/zinc/91/65/55/1317916555.db2.gz JBTKJVXJVOZOOT-UHFFFAOYSA-N -1 0 347.080 2.387 20 5 EEBDRM Cc1cnc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001157155823 1318443444 /nfs/dbraw/zinc/44/34/44/1318443444.db2.gz FAZBCQPETITIAK-UHFFFAOYSA-N -1 0 349.283 2.383 20 5 EEBDRM CC(C)[C@]1(CO)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001261499463 1322115647 /nfs/dbraw/zinc/11/56/47/1322115647.db2.gz LIYXXAXERKQZFN-OAHLLOKOSA-N -1 0 342.779 2.434 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001601821576 1350372628 /nfs/dbraw/zinc/37/26/28/1350372628.db2.gz YDBZYIPCGGHSAS-UMVBOHGHSA-N -1 0 332.356 2.239 20 5 EEBDRM O=C([O-])c1ccc(=O)n(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC001602313630 1350491545 /nfs/dbraw/zinc/49/15/45/1350491545.db2.gz XEOJSJKMTUFTNR-UHFFFAOYSA-N -1 0 344.110 2.205 20 5 EEBDRM CC(C)Cc1ccc(Cn2cc([N+](=O)[O-])c(-c3nnn[n-]3)n2)cc1 ZINC001603308517 1350685346 /nfs/dbraw/zinc/68/53/46/1350685346.db2.gz LBWQAHZSVMHXKH-UHFFFAOYSA-N -1 0 327.348 2.218 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC001608356506 1351677815 /nfs/dbraw/zinc/67/78/15/1351677815.db2.gz PUEPJUHTNXBCSK-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM CC(C)[C@@H]1N(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC12CCC2 ZINC001309540816 1331633275 /nfs/dbraw/zinc/63/32/75/1331633275.db2.gz LOCCFXVOMIZIDY-AWEZNQCLSA-N -1 0 340.401 2.500 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001608598619 1351723319 /nfs/dbraw/zinc/72/33/19/1351723319.db2.gz BUSNKCGHIIXSGU-OSQNNJELSA-N -1 0 343.339 2.401 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@@H]1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001608628240 1351729087 /nfs/dbraw/zinc/72/90/87/1351729087.db2.gz ZOSLAFKTKLZQSF-MNOVXSKESA-N -1 0 331.332 2.139 20 5 EEBDRM O=C([O-])CC1(COC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001608680705 1351740646 /nfs/dbraw/zinc/74/06/46/1351740646.db2.gz OSICROXAONSPQP-UHFFFAOYSA-N -1 0 345.311 2.192 20 5 EEBDRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001608774420 1351760460 /nfs/dbraw/zinc/76/04/60/1351760460.db2.gz VVBVANSYWVSKJK-NSHDSACASA-N -1 0 334.353 2.472 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@H]2CCOC3(CCC3)C2)cc([N+](=O)[O-])c1 ZINC001608837211 1351775200 /nfs/dbraw/zinc/77/52/00/1351775200.db2.gz JLTGEDNKOXRONC-NSHDSACASA-N -1 0 348.355 2.372 20 5 EEBDRM O=C([O-])c1cnc([C@@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)s1 ZINC001608970008 1351804468 /nfs/dbraw/zinc/80/44/68/1351804468.db2.gz XSBAKWAGHBMLKG-ZCFIWIBFSA-N -1 0 326.359 2.200 20 5 EEBDRM CC(C)(C)OC(=O)CCC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001609659536 1352052660 /nfs/dbraw/zinc/05/26/60/1352052660.db2.gz WQAOVAGYJSCVAT-UHFFFAOYSA-N -1 0 339.300 2.320 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001609729320 1352070633 /nfs/dbraw/zinc/07/06/33/1352070633.db2.gz QXJOZSKKYNCSON-KRWDZBQOSA-N -1 0 343.339 2.039 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)[O-] ZINC001609899271 1352114199 /nfs/dbraw/zinc/11/41/99/1352114199.db2.gz BMOPNBKKHCWCBN-HZMBPMFUSA-N -1 0 346.343 2.010 20 5 EEBDRM CN(C)C(=O)c1ccc(Oc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001610097759 1352161557 /nfs/dbraw/zinc/16/15/57/1352161557.db2.gz NDMDVZCOVQVJLG-UHFFFAOYSA-N -1 0 331.284 2.182 20 5 EEBDRM CO[C@@H](C)c1noc(CNc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n1 ZINC001610225698 1352190145 /nfs/dbraw/zinc/19/01/45/1352190145.db2.gz DGCSOGABVCFRNC-QMMMGPOBSA-N -1 0 336.304 2.304 20 5 EEBDRM COc1cc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])ccc1O ZINC001610297585 1352201527 /nfs/dbraw/zinc/20/15/27/1352201527.db2.gz FXQCYOFXSJVSDV-UHFFFAOYSA-N -1 0 333.300 2.323 20 5 EEBDRM Cc1c(NC(=O)C(C)(C)c2cnn(C)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610419800 1352220030 /nfs/dbraw/zinc/22/00/30/1352220030.db2.gz SLHBITBTPQJYQZ-UHFFFAOYSA-N -1 0 346.343 2.251 20 5 EEBDRM Cc1cc(NCC(C)(C)[C@@]2(O)CCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610474846 1352228761 /nfs/dbraw/zinc/22/87/61/1352228761.db2.gz WEKVAGIYCVSYKZ-MRXNPFEDSA-N -1 0 338.360 2.191 20 5 EEBDRM Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C(=O)[O-])cc1 ZINC001610492984 1352232259 /nfs/dbraw/zinc/23/22/59/1352232259.db2.gz YKIRCACVRROIBA-AWEZNQCLSA-N -1 0 343.339 2.084 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001610515461 1352236612 /nfs/dbraw/zinc/23/66/12/1352236612.db2.gz SBBVUKDHBKRCPT-UHFFFAOYSA-N -1 0 335.360 2.219 20 5 EEBDRM Cc1cccc(C[C@H](CNc2ncc([N+](=O)[O-])c(C)n2)C(=O)[O-])c1 ZINC001610521676 1352238214 /nfs/dbraw/zinc/23/82/14/1352238214.db2.gz RAZZNBSZFPQYPB-CYBMUJFWSA-N -1 0 330.344 2.357 20 5 EEBDRM Cc1csc(C(=O)[O-])c1S(=O)(=O)Oc1ccccc1[N+](=O)[O-] ZINC001610545785 1352242747 /nfs/dbraw/zinc/24/27/47/1352242747.db2.gz LKHRMBWHVRCELX-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001610748754 1352268179 /nfs/dbraw/zinc/26/81/79/1352268179.db2.gz MGVWZOZEZRBVJP-VIFPVBQESA-N -1 0 341.414 2.041 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001610749250 1352268608 /nfs/dbraw/zinc/26/86/08/1352268608.db2.gz VQQWALGVRCOHCN-VIFPVBQESA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])CCC(=O)COc1cc([N+](=O)[O-])ccc1Br ZINC001610765456 1352270946 /nfs/dbraw/zinc/27/09/46/1352270946.db2.gz FUNOPBNKYYVWLD-UHFFFAOYSA-N -1 0 332.106 2.170 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)C(=O)NCC3)c1 ZINC001610841814 1352283758 /nfs/dbraw/zinc/28/37/58/1352283758.db2.gz ZMGGPFZZWGDGFR-UHFFFAOYSA-N -1 0 341.323 2.191 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1 ZINC001600105044 1349972243 /nfs/dbraw/zinc/97/22/43/1349972243.db2.gz INQXCDYCCRHFFI-CBAPKCEASA-N -1 0 349.265 2.152 20 5 EEBDRM Cc1cc(F)cc(C(=O)NCc2ccnc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001600230226 1349997349 /nfs/dbraw/zinc/99/73/49/1349997349.db2.gz CWPXJCQPFRKZHH-UHFFFAOYSA-N -1 0 333.275 2.066 20 5 EEBDRM Cc1cc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001600249316 1350001745 /nfs/dbraw/zinc/00/17/45/1350001745.db2.gz DZBFFLGXBKKWBV-NSHDSACASA-N -1 0 336.325 2.335 20 5 EEBDRM Cc1oc(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1C(=O)[O-] ZINC001600288485 1350012078 /nfs/dbraw/zinc/01/20/78/1350012078.db2.gz OOQJKBAXOHJSAK-UHFFFAOYSA-N -1 0 348.311 2.198 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C)c2)oc1C(=O)[O-] ZINC001600292450 1350012841 /nfs/dbraw/zinc/01/28/41/1350012841.db2.gz NNYUSQOQSRDDQN-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001600335526 1350023123 /nfs/dbraw/zinc/02/31/23/1350023123.db2.gz PJFNPLOPSBXLJD-KRWDZBQOSA-N -1 0 343.339 2.336 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600368028 1350031415 /nfs/dbraw/zinc/03/14/15/1350031415.db2.gz KBCDSBSDWBVQDN-RTXFEEFZSA-N -1 0 335.360 2.469 20 5 EEBDRM Cc1ccccc1OC[C@H](O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600585727 1350090334 /nfs/dbraw/zinc/09/03/34/1350090334.db2.gz DWURPRURNWOZQD-ZDUSSCGKSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1nc([C@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])C2)no1 ZINC001600696998 1350118016 /nfs/dbraw/zinc/11/80/16/1350118016.db2.gz MTBDSQLVBYNMQF-JTQLQIEISA-N -1 0 332.316 2.287 20 5 EEBDRM Cc1nn(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001600787850 1350137521 /nfs/dbraw/zinc/13/75/21/1350137521.db2.gz ODWUALVAXKUMAG-LBPRGKRZSA-N -1 0 332.360 2.280 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001601214348 1350232990 /nfs/dbraw/zinc/23/29/90/1350232990.db2.gz VTUDNDDFKXTOHB-UHFFFAOYSA-N -1 0 325.277 2.328 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC001601386860 1350271710 /nfs/dbraw/zinc/27/17/10/1350271710.db2.gz LXYFZGFMRCXRNL-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM O=C([O-])C1(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCSCC1 ZINC001601431100 1350282197 /nfs/dbraw/zinc/28/21/97/1350282197.db2.gz LQSOXKOXOFGCBE-UHFFFAOYSA-N -1 0 344.776 2.328 20 5 EEBDRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001601530080 1350301045 /nfs/dbraw/zinc/30/10/45/1350301045.db2.gz HPYUZNQBRKMRIU-UHFFFAOYSA-N -1 0 346.324 2.161 20 5 EEBDRM O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601608869 1350318831 /nfs/dbraw/zinc/31/88/31/1350318831.db2.gz DFIXHDGEPBWGFZ-DTORHVGOSA-N -1 0 330.300 2.128 20 5 EEBDRM O=C([O-])C1=NO[C@]2(CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC001601744989 1350353359 /nfs/dbraw/zinc/35/33/59/1350353359.db2.gz UPRHSMKFDJQHCA-CYBMUJFWSA-N -1 0 325.708 2.058 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@H]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC001601807532 1350369210 /nfs/dbraw/zinc/36/92/10/1350369210.db2.gz HPAYMRCQFLZEIY-WCQYABFASA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])C1CCN(c2ccc(-c3ccc([N+](=O)[O-])nc3)cn2)CC1 ZINC001601831199 1350375563 /nfs/dbraw/zinc/37/55/63/1350375563.db2.gz UHAFRMGAZTUHLI-UHFFFAOYSA-N -1 0 328.328 2.353 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC001601859499 1350382764 /nfs/dbraw/zinc/38/27/64/1350382764.db2.gz MMXSKCBYLNVBOY-JTQLQIEISA-N -1 0 333.369 2.397 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@H](CO)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC001601881898 1350389492 /nfs/dbraw/zinc/38/94/92/1350389492.db2.gz GLTXHXCMPFLKBM-ODBHDECVSA-N -1 0 336.344 2.035 20 5 EEBDRM O=C([O-])C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCOC1 ZINC001601930050 1350399769 /nfs/dbraw/zinc/39/97/69/1350399769.db2.gz RXZHXNMINFFCOX-CQSZACIVSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001601972668 1350408145 /nfs/dbraw/zinc/40/81/45/1350408145.db2.gz ONVWNDWIPMALFL-LLVKDONJSA-N -1 0 338.364 2.252 20 5 EEBDRM O=C([O-])CCC(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001601970282 1350408237 /nfs/dbraw/zinc/40/82/37/1350408237.db2.gz NGGWNFRXYJSBCH-UHFFFAOYSA-N -1 0 349.217 2.204 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)c1nc2ccccn2c1[N+](=O)[O-] ZINC001602008031 1350417050 /nfs/dbraw/zinc/41/70/50/1350417050.db2.gz GUNOPQVOVSFFLJ-UHFFFAOYSA-N -1 0 341.327 2.119 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001602244272 1350474878 /nfs/dbraw/zinc/47/48/78/1350474878.db2.gz ZPFXKHVJQPTHQL-HUUCEWRRSA-N -1 0 348.355 2.467 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2CCc3cccnc32)cc([N+](=O)[O-])c1 ZINC001602280720 1350484757 /nfs/dbraw/zinc/48/47/57/1350484757.db2.gz YZZPJXBIOFQOOT-CYBMUJFWSA-N -1 0 327.296 2.357 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])nc1 ZINC001602343557 1350499654 /nfs/dbraw/zinc/49/96/54/1350499654.db2.gz QLFOKMQGGDFPGR-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])c1cccc(OCc2nncn2-c2ccccc2)c1[N+](=O)[O-] ZINC001602450979 1350521751 /nfs/dbraw/zinc/52/17/51/1350521751.db2.gz KYYLDOWJPVIKGO-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1cnc(Nc2cnn(Cc3cccnc3)c2)c([N+](=O)[O-])c1 ZINC001602537121 1350541349 /nfs/dbraw/zinc/54/13/49/1350541349.db2.gz KSUNYTHACJQYJB-UHFFFAOYSA-N -1 0 340.299 2.071 20 5 EEBDRM O=C([O-])c1coc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])n1 ZINC001602557111 1350546015 /nfs/dbraw/zinc/54/60/15/1350546015.db2.gz KLHZNGWRIDRRKR-UHFFFAOYSA-N -1 0 332.247 2.002 20 5 EEBDRM CC(=O)Nc1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC001603070839 1350632810 /nfs/dbraw/zinc/63/28/10/1350632810.db2.gz LGPPZCYLLQMNOP-UHFFFAOYSA-N -1 0 344.327 2.187 20 5 EEBDRM CC(C)C[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001603840611 1350779807 /nfs/dbraw/zinc/77/98/07/1350779807.db2.gz ZWKUERMQCWYJAE-ZDUSSCGKSA-N -1 0 336.344 2.173 20 5 EEBDRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001604062377 1350843569 /nfs/dbraw/zinc/84/35/69/1350843569.db2.gz WIWNATXJVNEDTM-UCUJLANTSA-N -1 0 329.312 2.089 20 5 EEBDRM C[C@@](NC(=O)c1cccnc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604312875 1350913426 /nfs/dbraw/zinc/91/34/26/1350913426.db2.gz GKWJDPZGJZOFHG-HNNXBMFYSA-N -1 0 349.730 2.373 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N[C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604315221 1350913865 /nfs/dbraw/zinc/91/38/65/1350913865.db2.gz SHSZHDFEGHHXQI-KXGXSXBTSA-N -1 0 333.344 2.008 20 5 EEBDRM CCC(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001604896054 1351027125 /nfs/dbraw/zinc/02/71/25/1351027125.db2.gz NTDGETQOKFHYCP-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM CC[C@H](COC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001605051012 1351067189 /nfs/dbraw/zinc/06/71/89/1351067189.db2.gz ZLFJVVYMTDPBRK-SNVBAGLBSA-N -1 0 347.327 2.263 20 5 EEBDRM CCN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C(=O)[O-] ZINC001605463551 1351163360 /nfs/dbraw/zinc/16/33/60/1351163360.db2.gz WMSNYOROHSPBOE-UHFFFAOYSA-N -1 0 334.332 2.330 20 5 EEBDRM CCOCCCN(C[C@@H](C)C(=O)[O-])c1ncc(C)cc1[N+](=O)[O-] ZINC001605632057 1351206227 /nfs/dbraw/zinc/20/62/27/1351206227.db2.gz BJQLXSGJWPKBFK-GFCCVEGCSA-N -1 0 325.365 2.252 20 5 EEBDRM O=C([O-])C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC001606006794 1351262429 /nfs/dbraw/zinc/26/24/29/1351262429.db2.gz VUABXGYTWGZCGV-UHFFFAOYSA-N -1 0 344.327 2.472 20 5 EEBDRM CN(CCOC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001606134170 1351277674 /nfs/dbraw/zinc/27/76/74/1351277674.db2.gz OFZUAVUDFPKXOI-NEPJUHHUSA-N -1 0 336.344 2.075 20 5 EEBDRM COC(=O)C[C@@H]1CC[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001606475975 1351307325 /nfs/dbraw/zinc/30/73/25/1351307325.db2.gz SBMKDGFXGJODMD-PWSUYJOCSA-N -1 0 336.344 2.366 20 5 EEBDRM C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1CC(=O)[O-] ZINC001607429735 1351492705 /nfs/dbraw/zinc/49/27/05/1351492705.db2.gz LMPOEOVNLPBIOI-CHWSQXEVSA-N -1 0 349.387 2.356 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2c3ccccc3C[C@@H]2O)n1 ZINC001607587332 1351520032 /nfs/dbraw/zinc/52/00/32/1351520032.db2.gz JLKFANIKVXXXRS-STQMWFEESA-N -1 0 329.312 2.067 20 5 EEBDRM Cc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])nc(C)c1C(=O)[O-] ZINC001607679952 1351538037 /nfs/dbraw/zinc/53/80/37/1351538037.db2.gz QBVHXMDDFKOINT-UHFFFAOYSA-N -1 0 344.327 2.355 20 5 EEBDRM Cc1nn(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC001608011225 1351603997 /nfs/dbraw/zinc/60/39/97/1351603997.db2.gz GBBNWOBZNTUMGA-CQSZACIVSA-N -1 0 330.344 2.050 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001608462603 1351700150 /nfs/dbraw/zinc/70/01/50/1351700150.db2.gz CPFRSYYJJQUBSK-VHSXEESVSA-N -1 0 342.298 2.380 20 5 EEBDRM CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606262202 1404777562 /nfs/dbraw/zinc/77/75/62/1404777562.db2.gz RIDXNCWLBHJORO-XCBNKYQSSA-N -1 0 341.751 2.273 20 5 EEBDRM COc1ccccc1OCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436963227 783768422 /nfs/dbraw/zinc/76/84/22/783768422.db2.gz GFVJZASBEVDRMM-UHFFFAOYSA-N -1 0 346.339 2.460 20 5 EEBDRM Nc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(C(=O)[O-])s3)CC2)c1 ZINC000844220023 788909555 /nfs/dbraw/zinc/90/95/55/788909555.db2.gz YRABFFGMXASSRM-UHFFFAOYSA-N -1 0 348.384 2.263 20 5 EEBDRM CCOc1cccc(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])n1 ZINC000844212653 788931170 /nfs/dbraw/zinc/93/11/70/788931170.db2.gz LGOHSFSKZFVFRV-UHFFFAOYSA-N -1 0 346.343 2.445 20 5 EEBDRM CCOC1CC(O)(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844214839 788933284 /nfs/dbraw/zinc/93/32/84/788933284.db2.gz WAYJEMYIBQPQMK-XQRVVYSFSA-N -1 0 336.344 2.035 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)nc2)c1F ZINC000165817965 789570434 /nfs/dbraw/zinc/57/04/34/789570434.db2.gz GCTJAXAOHUGZEW-UHFFFAOYSA-N -1 0 329.284 2.377 20 5 EEBDRM CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000172023987 791522970 /nfs/dbraw/zinc/52/29/70/791522970.db2.gz VLAIFJIUDXTPNG-QMMMGPOBSA-N -1 0 334.781 2.345 20 5 EEBDRM COc1ccc(C(N)=O)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176680667 798526139 /nfs/dbraw/zinc/52/61/39/798526139.db2.gz VPFKOHBMBJIXHL-UHFFFAOYSA-N -1 0 331.284 2.144 20 5 EEBDRM Cn1c(COC(=O)c2ccc([N+](=O)[O-])[n-]2)nnc1-c1ccc(F)cc1 ZINC000789717321 808155700 /nfs/dbraw/zinc/15/57/00/808155700.db2.gz XJGOWCXVYOIUIO-UHFFFAOYSA-N -1 0 345.290 2.215 20 5 EEBDRM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000804471947 810890882 /nfs/dbraw/zinc/89/08/82/810890882.db2.gz SDJOFBSMIAKHBC-ZBEGNZNMSA-N -1 0 330.340 2.461 20 5 EEBDRM O=c1[n-]c([C@H]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000808776735 812848057 /nfs/dbraw/zinc/84/80/57/812848057.db2.gz BKEAMBFTNIEXFU-JTQLQIEISA-N -1 0 337.767 2.452 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])c2ccccn2)c1 ZINC000832785760 939221201 /nfs/dbraw/zinc/22/12/01/939221201.db2.gz PACXOPDORWHVCG-ZDUSSCGKSA-N -1 0 347.352 2.267 20 5 EEBDRM O=C([O-])Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC001611519414 971094198 /nfs/dbraw/zinc/09/41/98/971094198.db2.gz NBOGUURTNSITDI-UHFFFAOYSA-N -1 0 335.319 2.213 20 5 EEBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001589591479 949089387 /nfs/dbraw/zinc/08/93/87/949089387.db2.gz GWUQNOVUTIIADJ-INIZCTEOSA-N -1 0 338.335 2.380 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC001595233741 949375647 /nfs/dbraw/zinc/37/56/47/949375647.db2.gz MPVINFZSYCMKTP-UHFFFAOYSA-N -1 0 345.263 2.379 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001602936487 971903013 /nfs/dbraw/zinc/90/30/13/971903013.db2.gz WKLZLQBIKXHWTO-UHFFFAOYSA-N -1 0 347.730 2.343 20 5 EEBDRM C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC001589375991 954254784 /nfs/dbraw/zinc/25/47/84/954254784.db2.gz QEVCIXSYJUMLFH-ZWNOBZJWSA-N -1 0 338.335 2.236 20 5 EEBDRM CC[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC001589549604 955211759 /nfs/dbraw/zinc/21/17/59/955211759.db2.gz ZWRGYORTOVHUCU-SSDOTTSWSA-N -1 0 334.250 2.454 20 5 EEBDRM C[C@@H](CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001589055901 955693426 /nfs/dbraw/zinc/69/34/26/955693426.db2.gz AAYMFWAPUQIAII-TUAOUCFPSA-N -1 0 335.360 2.251 20 5 EEBDRM Nc1c(C(=O)NC2(C(=O)[O-])CCCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001594658873 956513556 /nfs/dbraw/zinc/51/35/56/956513556.db2.gz DDWLIHYZMSUJPF-UHFFFAOYSA-N -1 0 345.714 2.097 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CNc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001594067595 958152218 /nfs/dbraw/zinc/15/22/18/958152218.db2.gz FIHRZDWGLPZNPV-UHFFFAOYSA-N -1 0 334.332 2.232 20 5 EEBDRM Cc1c(Br)c(N2CC[C@H](C(=O)[O-])[C@@H]2C)ncc1[N+](=O)[O-] ZINC000165677268 959288971 /nfs/dbraw/zinc/28/89/71/959288971.db2.gz BSSRWQVOECTUTJ-YUMQZZPRSA-N -1 0 344.165 2.360 20 5 EEBDRM CC[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC001573796711 960780903 /nfs/dbraw/zinc/78/09/03/960780903.db2.gz ZRPDGBFGNACOBE-GFCCVEGCSA-N -1 0 349.387 2.038 20 5 EEBDRM CC[C@@H](OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC001609937706 970611364 /nfs/dbraw/zinc/61/13/64/970611364.db2.gz VCJPKQGFDNZLGR-SECBINFHSA-N -1 0 329.330 2.345 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001603360006 972819743 /nfs/dbraw/zinc/81/97/43/972819743.db2.gz HXXXNFLGTTWMPN-BQPHKTIFSA-N -1 0 332.356 2.268 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC001603360164 972822127 /nfs/dbraw/zinc/82/21/27/972822127.db2.gz NGRRFAAPFFEDAU-WCQYABFASA-N -1 0 345.355 2.119 20 5 EEBDRM Cc1cc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001605206992 972946804 /nfs/dbraw/zinc/94/68/04/972946804.db2.gz BQRDPNUMTWSQNU-CHWSQXEVSA-N -1 0 344.327 2.138 20 5 EEBDRM C[C@@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC001603416555 973115929 /nfs/dbraw/zinc/11/59/29/973115929.db2.gz SUSZQADMKOIPFL-BXKDBHETSA-N -1 0 342.298 2.256 20 5 EEBDRM CC[C@@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C(=O)[O-] ZINC001603567215 973696148 /nfs/dbraw/zinc/69/61/48/973696148.db2.gz YRNMXMMQLNJDPP-VIFPVBQESA-N -1 0 331.328 2.171 20 5 EEBDRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001592396388 977958827 /nfs/dbraw/zinc/95/88/27/977958827.db2.gz UVFNPSZQGWYTES-JTQLQIEISA-N -1 0 332.316 2.220 20 5 EEBDRM C[C@H](CNC(=O)c1ccc(C(=O)[O-])n1C)c1ccccc1[N+](=O)[O-] ZINC001592696860 979151670 /nfs/dbraw/zinc/15/16/70/979151670.db2.gz KQPFKUGZMSKADG-SNVBAGLBSA-N -1 0 331.328 2.165 20 5 EEBDRM C[C@H](CS(=O)(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C1CC1 ZINC001592813887 979498549 /nfs/dbraw/zinc/49/85/49/979498549.db2.gz JOMKLKZCRGKTSA-MRVPVSSYSA-N -1 0 329.330 2.048 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001594817697 981958458 /nfs/dbraw/zinc/95/84/58/981958458.db2.gz UBSIKTUNUAOHTA-ZDUSSCGKSA-N -1 0 330.287 2.446 20 5 EEBDRM CCC(=O)c1ccc(N2CCC[C@]2(COC)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001594716753 987190066 /nfs/dbraw/zinc/19/00/66/987190066.db2.gz CYDXOKMUZITZGJ-INIZCTEOSA-N -1 0 336.344 2.258 20 5 EEBDRM CS[C@@H](CO)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599786510 987931215 /nfs/dbraw/zinc/93/12/15/987931215.db2.gz CSLKZZXOFCGTLI-MUWHJKNJSA-N -1 0 334.781 2.471 20 5 EEBDRM CCc1nn(C)c(N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001597717565 988987408 /nfs/dbraw/zinc/98/74/08/988987408.db2.gz FMHREQJOIZJCKB-STQMWFEESA-N -1 0 344.371 2.195 20 5 EEBDRM CCn1cccc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)c1=O ZINC001597911145 989808164 /nfs/dbraw/zinc/80/81/64/989808164.db2.gz HZYXYDKTTHTPKX-UHFFFAOYSA-N -1 0 331.328 2.395 20 5 EEBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC001593145281 993939193 /nfs/dbraw/zinc/93/91/93/993939193.db2.gz BTRSUVJTJXKIHI-MEBBXXQBSA-N -1 0 344.323 2.145 20 5 EEBDRM COc1cccc([C@H](C(=O)[O-])N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC001599648840 994464691 /nfs/dbraw/zinc/46/46/91/994464691.db2.gz ATBXEACJJNHEIQ-MRXNPFEDSA-N -1 0 343.339 2.182 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001598680479 994920257 /nfs/dbraw/zinc/92/02/57/994920257.db2.gz KFROLTPZQJQWMS-PIGZYNQJSA-N -1 0 347.371 2.354 20 5 EEBDRM CNc1nccc(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1[N+](=O)[O-] ZINC001598682101 994945561 /nfs/dbraw/zinc/94/55/61/994945561.db2.gz UKBHAEDSFYMSFT-UHFFFAOYSA-N -1 0 330.300 2.290 20 5 EEBDRM CC1(C)CC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001593882293 996713476 /nfs/dbraw/zinc/71/34/76/996713476.db2.gz OSWIAOFLLFBPCL-VIFPVBQESA-N -1 0 342.373 2.150 20 5 EEBDRM COCc1cncc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001599298580 997191232 /nfs/dbraw/zinc/19/12/32/997191232.db2.gz IVVZOOJBRGDMFT-UHFFFAOYSA-N -1 0 345.311 2.395 20 5 EEBDRM COc1ccc(CC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC001599547546 997948446 /nfs/dbraw/zinc/94/84/46/997948446.db2.gz VLDYGVBXMQDNTJ-JTQLQIEISA-N -1 0 336.344 2.000 20 5 EEBDRM COC(=O)c1ccnc(NC[C@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001599005309 998849943 /nfs/dbraw/zinc/84/99/43/998849943.db2.gz YQCSQFFALCJAQH-LBPRGKRZSA-N -1 0 345.311 2.057 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2noc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000191915623 239379028 /nfs/dbraw/zinc/37/90/28/239379028.db2.gz PUWYTIDGGUMTTD-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nnc(C3CC3)o2)ccc1Cl ZINC000193618740 240234917 /nfs/dbraw/zinc/23/49/17/240234917.db2.gz JFCNBRRPFCZUDI-UHFFFAOYSA-N -1 0 344.736 2.309 20 5 EEBDRM CN(CCC(=O)[O-])C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262730062 245148236 /nfs/dbraw/zinc/14/82/36/245148236.db2.gz DBAJDDRWJYPJMK-UHFFFAOYSA-N -1 0 332.765 2.273 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCC(=O)[O-] ZINC000262934890 245259346 /nfs/dbraw/zinc/25/93/46/245259346.db2.gz IEQNUBZLKHYTKY-SNVBAGLBSA-N -1 0 326.374 2.399 20 5 EEBDRM CC(C)(C)OC(=O)N1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000491419667 246027056 /nfs/dbraw/zinc/02/70/56/246027056.db2.gz SEFFQCRKMFNCAB-VIFPVBQESA-N -1 0 325.321 2.089 20 5 EEBDRM CCOC(=O)c1[nH]c(C)nc1NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000491911686 246209731 /nfs/dbraw/zinc/20/97/31/246209731.db2.gz HJRBLYSCVPGWGQ-FPLPWBNLSA-N -1 0 344.327 2.455 20 5 EEBDRM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000156668604 255787602 /nfs/dbraw/zinc/78/76/02/255787602.db2.gz ULIUNKNGTDWSSZ-DEOSSOPVSA-N -1 0 348.380 2.310 20 5 EEBDRM CCOC(=O)NCCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000273580786 256308690 /nfs/dbraw/zinc/30/86/90/256308690.db2.gz KCNZYHVJNFZWEZ-UHFFFAOYSA-N -1 0 345.739 2.419 20 5 EEBDRM C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000263162035 152391371 /nfs/dbraw/zinc/39/13/71/152391371.db2.gz YCPGQRNKFBINHP-IUODEOHRSA-N -1 0 349.387 2.499 20 5 EEBDRM C[C@@H](C(=O)[O-])N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000263181477 152396313 /nfs/dbraw/zinc/39/63/13/152396313.db2.gz UHQVTILPMPTJLX-QMMMGPOBSA-N -1 0 341.751 2.124 20 5 EEBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000355847760 153167656 /nfs/dbraw/zinc/16/76/56/153167656.db2.gz VHIGEWYDJPKLNE-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000356000495 153239550 /nfs/dbraw/zinc/23/95/50/153239550.db2.gz NVBIDOZGSOSOBU-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CCOc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263116744 286560813 /nfs/dbraw/zinc/56/08/13/286560813.db2.gz VBJPXBTVSGOIEM-GXFFZTMASA-N -1 0 336.344 2.319 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262392085 160453440 /nfs/dbraw/zinc/45/34/40/160453440.db2.gz RPXFMYWQBLAOQN-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000263359795 160459143 /nfs/dbraw/zinc/45/91/43/160459143.db2.gz RRSBVFNIIFSLQK-NEPJUHHUSA-N -1 0 334.372 2.442 20 5 EEBDRM O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000184916876 160020463 /nfs/dbraw/zinc/02/04/63/160020463.db2.gz UHTDXHRIRRXHRN-LBPRGKRZSA-N -1 0 341.323 2.156 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187882126 160110837 /nfs/dbraw/zinc/11/08/37/160110837.db2.gz RFHFNBSKXLRMIJ-GFCCVEGCSA-N -1 0 345.359 2.280 20 5 EEBDRM O=C([O-])c1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000238159429 160228667 /nfs/dbraw/zinc/22/86/67/160228667.db2.gz IZINLHYKUMLZPK-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355379576 163167948 /nfs/dbraw/zinc/16/79/48/163167948.db2.gz MCJAIPLSBZUPMO-AWEZNQCLSA-N -1 0 341.323 2.156 20 5 EEBDRM COC(=O)c1csc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1 ZINC000360031829 164220315 /nfs/dbraw/zinc/22/03/15/164220315.db2.gz QHRZBXGOEONYHY-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000365461328 165490785 /nfs/dbraw/zinc/49/07/85/165490785.db2.gz OGHNOIXJZOCPTD-GFCCVEGCSA-N -1 0 330.344 2.054 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccc1[N+](=O)[O-] ZINC000165247181 226117780 /nfs/dbraw/zinc/11/77/80/226117780.db2.gz KRBADFPLRCSAQM-VIFPVBQESA-N -1 0 349.368 2.422 20 5 EEBDRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000274959648 269079456 /nfs/dbraw/zinc/07/94/56/269079456.db2.gz BGPBCSBDEDOSGJ-TVQRCGJNSA-N -1 0 344.389 2.023 20 5 EEBDRM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000275264880 269105756 /nfs/dbraw/zinc/10/57/56/269105756.db2.gz JFYTZMFIXZNVBP-ZDUSSCGKSA-N -1 0 344.389 2.023 20 5 EEBDRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000275309469 269107322 /nfs/dbraw/zinc/10/73/22/269107322.db2.gz NYFZVHMNJHMRSP-LLVKDONJSA-N -1 0 344.389 2.085 20 5 EEBDRM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157548534 273981775 /nfs/dbraw/zinc/98/17/75/273981775.db2.gz QVKCNFUMBJGSOK-UHFFFAOYSA-N -1 0 327.296 2.437 20 5 EEBDRM Cn1nc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1C1CC1 ZINC000290596306 275221344 /nfs/dbraw/zinc/22/13/44/275221344.db2.gz YFQLQAXOQKSTEI-UHFFFAOYSA-N -1 0 340.336 2.146 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@](CO)(c2ccccc2)C1 ZINC000291133457 275273891 /nfs/dbraw/zinc/27/38/91/275273891.db2.gz HAHRFBNELYIPNC-SFHVURJKSA-N -1 0 342.351 2.077 20 5 EEBDRM CN(CCC(=O)[O-])C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000428069747 289582188 /nfs/dbraw/zinc/58/21/88/289582188.db2.gz JDEIKISUANCAGU-UHFFFAOYSA-N -1 0 338.363 2.088 20 5 EEBDRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293283209 293170153 /nfs/dbraw/zinc/17/01/53/293170153.db2.gz IDOFDDIBABSJGR-QMMMGPOBSA-N -1 0 329.740 2.281 20 5 EEBDRM Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(-c3ccco3)[nH]n2)n1 ZINC000350900481 312351126 /nfs/dbraw/zinc/35/11/26/312351126.db2.gz AWSMYMNTEBSXCQ-UHFFFAOYSA-N -1 0 327.260 2.028 20 5 EEBDRM COC(=O)C1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCCC1 ZINC000436839175 315004592 /nfs/dbraw/zinc/00/45/92/315004592.db2.gz MTXLNRZCFABBBH-UHFFFAOYSA-N -1 0 336.344 2.154 20 5 EEBDRM COc1ccc([C@@H](CO)N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436894250 315010310 /nfs/dbraw/zinc/01/03/10/315010310.db2.gz QDNRKLXUDHIDCX-OAHLLOKOSA-N -1 0 346.339 2.115 20 5 EEBDRM CCOC(=O)c1cnc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436890481 315010415 /nfs/dbraw/zinc/01/04/15/315010415.db2.gz FJZBPYULJGIURT-UHFFFAOYSA-N -1 0 345.311 2.433 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OC ZINC000436913880 315011961 /nfs/dbraw/zinc/01/19/61/315011961.db2.gz HKDJEHVLZZMIGH-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM CCOC(=O)c1cnc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436957882 315016435 /nfs/dbraw/zinc/01/64/35/315016435.db2.gz BSZOUNMVIKIYAK-UHFFFAOYSA-N -1 0 345.311 2.433 20 5 EEBDRM COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436961460 315016707 /nfs/dbraw/zinc/01/67/07/315016707.db2.gz UOOSSMRFNAKOTP-WBMJQRKESA-N -1 0 336.344 2.152 20 5 EEBDRM COc1ccc([C@@H](CO)N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436962352 315017285 /nfs/dbraw/zinc/01/72/85/315017285.db2.gz WUVLWLBJLWTEGM-OAHLLOKOSA-N -1 0 346.339 2.115 20 5 EEBDRM COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436973454 315018568 /nfs/dbraw/zinc/01/85/68/315018568.db2.gz XNHJDRVNCOFLFK-HNNXBMFYSA-N -1 0 344.323 2.287 20 5 EEBDRM COc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1NC(N)=O ZINC000436974675 315018780 /nfs/dbraw/zinc/01/87/80/315018780.db2.gz AMKUDGRMRXZURW-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436981471 315019406 /nfs/dbraw/zinc/01/94/06/315019406.db2.gz QMKUJBKDEFWITB-QWHCGFSZSA-N -1 0 349.387 2.162 20 5 EEBDRM COC(=O)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC000436988281 315019914 /nfs/dbraw/zinc/01/99/14/315019914.db2.gz XAHDKXGDWZOYHK-LBPRGKRZSA-N -1 0 342.307 2.217 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(C(=O)[O-])c1 ZINC000439712809 315092874 /nfs/dbraw/zinc/09/28/74/315092874.db2.gz GDOWPCMVQIMHPE-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000444387844 315298278 /nfs/dbraw/zinc/29/82/78/315298278.db2.gz ZVHBWZXDSMQUIR-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM COc1ccc(CC(=O)Nc2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000532689965 317878331 /nfs/dbraw/zinc/87/83/31/317878331.db2.gz IVDNSCMHMAAEIY-UHFFFAOYSA-N -1 0 344.323 2.412 20 5 EEBDRM O=C(Nc1cnn(-c2ccccn2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000547799087 318323996 /nfs/dbraw/zinc/32/39/96/318323996.db2.gz AEOUGDAXELXRIO-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC000565037729 319141839 /nfs/dbraw/zinc/14/18/39/319141839.db2.gz BCEJGVYLCHHXLC-MRVPVSSYSA-N -1 0 349.265 2.236 20 5 EEBDRM CC[C@@H]1C[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565060328 319145006 /nfs/dbraw/zinc/14/50/06/319145006.db2.gz AIOGAANFFHSCJV-VHSXEESVSA-N -1 0 342.373 2.102 20 5 EEBDRM CC1=C(C)CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000565061084 319145114 /nfs/dbraw/zinc/14/51/14/319145114.db2.gz SQOSRIQDRXBGHV-UHFFFAOYSA-N -1 0 340.357 2.024 20 5 EEBDRM CCc1nn(C)c(OC)c1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565484013 319187194 /nfs/dbraw/zinc/18/71/94/319187194.db2.gz VWARBMPHFZYFMJ-UHFFFAOYSA-N -1 0 348.359 2.139 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000565718937 319207987 /nfs/dbraw/zinc/20/79/87/319207987.db2.gz SMPHPVGVECMDDO-CQSZACIVSA-N -1 0 343.339 2.136 20 5 EEBDRM Cc1cc(N2CCC(F)(F)[C@H](CO)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567475757 319383358 /nfs/dbraw/zinc/38/33/58/319383358.db2.gz WRIWHCAZUXZLKH-VIFPVBQESA-N -1 0 330.287 2.055 20 5 EEBDRM Cc1nc(N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000569344266 319568211 /nfs/dbraw/zinc/56/82/11/319568211.db2.gz CIJOBRAILPBQMH-DOMZBBRYSA-N -1 0 335.360 2.004 20 5 EEBDRM O=C(NCCCC1(O)CCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000571804624 319788815 /nfs/dbraw/zinc/78/88/15/319788815.db2.gz GMMIIICJDPXPLE-UHFFFAOYSA-N -1 0 328.752 2.379 20 5 EEBDRM Cc1noc(C2CCN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])CC2)n1 ZINC000573327534 319924457 /nfs/dbraw/zinc/92/44/57/319924457.db2.gz ONIWTTGCMVCPBG-UHFFFAOYSA-N -1 0 347.331 2.072 20 5 EEBDRM O=C([O-])[C@H]1CCO[C@H]1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000574093884 319994643 /nfs/dbraw/zinc/99/46/43/319994643.db2.gz VXHCVBDXGGQCNX-JSGCOSHPSA-N -1 0 340.401 2.358 20 5 EEBDRM CCC[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000575050719 320082759 /nfs/dbraw/zinc/08/27/59/320082759.db2.gz VEZBXVXXLCMTFM-SECBINFHSA-N -1 0 330.362 2.102 20 5 EEBDRM Cc1n[nH]cc1C1CCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000578363276 320310452 /nfs/dbraw/zinc/31/04/52/320310452.db2.gz JDGXJMZPVPGKTE-UHFFFAOYSA-N -1 0 345.359 2.412 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000578769842 323704834 /nfs/dbraw/zinc/70/48/34/323704834.db2.gz AEJBYTSWEQHQBS-GXFFZTMASA-N -1 0 336.344 2.176 20 5 EEBDRM CC[C@@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000582060617 324370749 /nfs/dbraw/zinc/37/07/49/324370749.db2.gz SNHIHLZPXFJOTG-SECBINFHSA-N -1 0 344.389 2.268 20 5 EEBDRM O=C([O-])C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCO1 ZINC000582125134 324386975 /nfs/dbraw/zinc/38/69/75/324386975.db2.gz HUIFKTHBHBNFLJ-CYBMUJFWSA-N -1 0 343.339 2.337 20 5 EEBDRM CC(C)CCCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000583082214 324588782 /nfs/dbraw/zinc/58/87/82/324588782.db2.gz KRSQMCFOQNIBMI-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(c2cncc(F)c2)CC1 ZINC000339056204 465057270 /nfs/dbraw/zinc/05/72/70/465057270.db2.gz QECHWCVXQBTLHX-UHFFFAOYSA-N -1 0 332.335 2.157 20 5 EEBDRM COc1cccc(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1OC ZINC000521630013 468324788 /nfs/dbraw/zinc/32/47/88/468324788.db2.gz WIDBEDKVZQOPCO-UHFFFAOYSA-N -1 0 347.327 2.360 20 5 EEBDRM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000092102627 462927020 /nfs/dbraw/zinc/92/70/20/462927020.db2.gz LTMGHCBZPJJMLQ-JTQLQIEISA-N -1 0 333.310 2.369 20 5 EEBDRM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000014482296 462927807 /nfs/dbraw/zinc/92/78/07/462927807.db2.gz NTHZRZKRAUKFHK-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077234660 462957554 /nfs/dbraw/zinc/95/75/54/462957554.db2.gz BRJWWFHGHBPSSX-UHFFFAOYSA-N -1 0 343.217 2.260 20 5 EEBDRM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1CC(F)(F)F ZINC000156006732 462968513 /nfs/dbraw/zinc/96/85/13/462968513.db2.gz PQDULEMCMJDBQY-VIFPVBQESA-N -1 0 347.293 2.009 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2oc(=O)[nH]c2c1 ZINC000077704659 463027457 /nfs/dbraw/zinc/02/74/57/463027457.db2.gz UBJFKQNGKNNJDY-UHFFFAOYSA-N -1 0 349.324 2.139 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2nc(C)cs2)ccc1[N+](=O)[O-] ZINC000121277892 463108956 /nfs/dbraw/zinc/10/89/56/463108956.db2.gz TUNJHTCCJXPXGH-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1ccccc1)OCCO2 ZINC000069534476 463271293 /nfs/dbraw/zinc/27/12/93/463271293.db2.gz PBEBKHUJOISYCP-UHFFFAOYSA-N -1 0 336.325 2.167 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160427402 463336785 /nfs/dbraw/zinc/33/67/85/463336785.db2.gz VOIQTZWZQABTMZ-WCQYABFASA-N -1 0 349.387 2.114 20 5 EEBDRM CN(Cc1nccn1C(F)F)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164131740 463615628 /nfs/dbraw/zinc/61/56/28/463615628.db2.gz DWMOLLQPJKJEEM-UHFFFAOYSA-N -1 0 326.259 2.164 20 5 EEBDRM Cc1c(Br)c(N2CCC(C(=O)[O-])CC2)ncc1[N+](=O)[O-] ZINC000165654764 463645310 /nfs/dbraw/zinc/64/53/10/463645310.db2.gz HEOKTOCSPDVJHP-UHFFFAOYSA-N -1 0 344.165 2.362 20 5 EEBDRM Cc1ccc2[nH]c(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)nc2c1 ZINC000170610051 463683189 /nfs/dbraw/zinc/68/31/89/463683189.db2.gz GCUDRZSBJXIXIN-UHFFFAOYSA-N -1 0 326.312 2.415 20 5 EEBDRM O=C(Nc1ccc(-n2ccnn2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184900431 463714967 /nfs/dbraw/zinc/71/49/67/463714967.db2.gz JQFYLBZSUKIKCF-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)ccc1[N+](=O)[O-] ZINC000268500496 463768176 /nfs/dbraw/zinc/76/81/76/463768176.db2.gz SCPHMCIWXVEKJU-UHFFFAOYSA-N -1 0 338.345 2.005 20 5 EEBDRM COc1cccc(S([O-])=CC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000178280184 463873508 /nfs/dbraw/zinc/87/35/08/463873508.db2.gz KFCBLQJSVXRDPB-DEOSSOPVSA-N -1 0 348.380 2.027 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)N[C@H](C)CCCC(=O)[O-])c1[N+](=O)[O-] ZINC000277324654 463911131 /nfs/dbraw/zinc/91/11/31/463911131.db2.gz UUTXJWQWXPDTLK-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM CCC(=O)N1CC[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000186058876 463929653 /nfs/dbraw/zinc/92/96/53/463929653.db2.gz XKKCUFSQOMIYMD-MRVPVSSYSA-N -1 0 341.751 2.151 20 5 EEBDRM CC(=O)N1CCC(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000186056856 463930291 /nfs/dbraw/zinc/93/02/91/463930291.db2.gz QTDPBJIRZDRNMA-UHFFFAOYSA-N -1 0 341.751 2.151 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263571684 464131120 /nfs/dbraw/zinc/13/11/20/464131120.db2.gz JRWAJPRVBFRAJQ-HUUCEWRRSA-N -1 0 348.355 2.075 20 5 EEBDRM CN(CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000237322693 464303631 /nfs/dbraw/zinc/30/36/31/464303631.db2.gz UFTCRRCDZXXUJQ-CYBMUJFWSA-N -1 0 349.387 2.277 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nncn3c2)c1C ZINC000180792945 464396652 /nfs/dbraw/zinc/39/66/52/464396652.db2.gz VNICMPVPUUVHNC-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272409309 464597472 /nfs/dbraw/zinc/59/74/72/464597472.db2.gz OFVNKXPZIVJHFJ-ZUZCIYMTSA-N -1 0 338.385 2.085 20 5 EEBDRM COC(=O)[C@]12CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@H]1CCCC2 ZINC000286470167 464929381 /nfs/dbraw/zinc/92/93/81/464929381.db2.gz ZSIFQKYFYJUKGJ-SJKOYZFVSA-N -1 0 348.355 2.106 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCC(=O)[O-])CC(C)C ZINC000299327653 465699164 /nfs/dbraw/zinc/69/91/64/465699164.db2.gz BMPKFWHWKZRWER-UHFFFAOYSA-N -1 0 344.389 2.025 20 5 EEBDRM COC[C@@](C)(NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000340677721 466257745 /nfs/dbraw/zinc/25/77/45/466257745.db2.gz LQVIYZJODOPLGO-MRXNPFEDSA-N -1 0 334.328 2.434 20 5 EEBDRM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccc([N+](=O)[O-])s1 ZINC000362196100 466617158 /nfs/dbraw/zinc/61/71/58/466617158.db2.gz SYXDMPYHWDRYIQ-UHFFFAOYSA-N -1 0 338.292 2.865 20 5 EEBDRM Cc1cn2c(n1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)CCC2 ZINC000370924475 467046449 /nfs/dbraw/zinc/04/64/49/467046449.db2.gz NEIVMFJJTGPIPE-LBPRGKRZSA-N -1 0 330.344 2.113 20 5 EEBDRM CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000449458887 467648139 /nfs/dbraw/zinc/64/81/39/467648139.db2.gz JMNWXKYRWGRELO-UHFFFAOYSA-N -1 0 331.376 2.253 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493289976 467879833 /nfs/dbraw/zinc/87/98/33/467879833.db2.gz GNAVKWHGHAQEOK-RQOWECAXSA-N -1 0 336.319 2.460 20 5 EEBDRM O=C([O-])c1cc(N2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000516773436 468046132 /nfs/dbraw/zinc/04/61/32/468046132.db2.gz UEVDOOMKUBFLNY-KWQFWETISA-N -1 0 348.277 2.290 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000517560565 468089124 /nfs/dbraw/zinc/08/91/24/468089124.db2.gz NFYBGPJZCLIISE-GMXVVIOVSA-N -1 0 335.360 2.408 20 5 EEBDRM COC1CCC(C)(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000577876463 468193535 /nfs/dbraw/zinc/19/35/35/468193535.db2.gz YXXSNYXSDAZXFH-UHFFFAOYSA-N -1 0 337.376 3.004 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000567734542 468199492 /nfs/dbraw/zinc/19/94/92/468199492.db2.gz OKFLTNRYJHBJBU-PELKAZGASA-N -1 0 326.736 2.431 20 5 EEBDRM CC[C@@H](C)C[C@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000567901527 468234598 /nfs/dbraw/zinc/23/45/98/468234598.db2.gz MBCZBKBKPDGPDI-PWSUYJOCSA-N -1 0 338.360 2.152 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000567983640 468249218 /nfs/dbraw/zinc/24/92/18/468249218.db2.gz MEAFJRORDINMRG-QGZVFWFLSA-N -1 0 345.355 2.461 20 5 EEBDRM CC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594597566 468630805 /nfs/dbraw/zinc/63/08/05/468630805.db2.gz OBVNMOJSMHMNPL-UONOGXRCSA-N -1 0 336.344 2.371 20 5 EEBDRM C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C1CCCC1 ZINC000592140602 468635202 /nfs/dbraw/zinc/63/52/02/468635202.db2.gz IIFZAZSNLALQCM-VIFPVBQESA-N -1 0 342.373 2.150 20 5 EEBDRM CCC[C@@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC)C(=O)[O-] ZINC000592145724 468637130 /nfs/dbraw/zinc/63/71/30/468637130.db2.gz YQWCSRNIRAWIBR-CQSZACIVSA-N -1 0 344.389 2.079 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cnn1CC ZINC000594730809 468666869 /nfs/dbraw/zinc/66/68/69/468666869.db2.gz PTSXNRWXKCPQDD-UHFFFAOYSA-N -1 0 338.389 2.483 20 5 EEBDRM CC[C@H](C)N(CC)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000594731210 468667273 /nfs/dbraw/zinc/66/72/73/468667273.db2.gz GPXNJHMBOZJXMG-VIFPVBQESA-N -1 0 344.389 2.411 20 5 EEBDRM O=C([O-])C1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCC1 ZINC000600870948 468671897 /nfs/dbraw/zinc/67/18/97/468671897.db2.gz YXFYDHBIGVODEG-UHFFFAOYSA-N -1 0 332.356 2.388 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600876476 468673628 /nfs/dbraw/zinc/67/36/28/468673628.db2.gz YHKLNKRKGCPHLA-UHFFFAOYSA-N -1 0 343.339 2.227 20 5 EEBDRM COc1c(C)cnc(CN(C)c2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1C ZINC000583502463 468707583 /nfs/dbraw/zinc/70/75/83/468707583.db2.gz PZBPUCYCXMHPTK-UHFFFAOYSA-N -1 0 346.343 2.345 20 5 EEBDRM O=C([O-])CCCCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570908482 468711698 /nfs/dbraw/zinc/71/16/98/468711698.db2.gz UZIGHLYDQIKCQF-UHFFFAOYSA-N -1 0 335.360 2.308 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000595245366 468792114 /nfs/dbraw/zinc/79/21/14/468792114.db2.gz NSQXXBVJTZMBDS-SCRDCRAPSA-N -1 0 333.344 2.095 20 5 EEBDRM NC(=O)N[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000584188345 468817831 /nfs/dbraw/zinc/81/78/31/468817831.db2.gz CGMVPLIOQGJVTC-GFCCVEGCSA-N -1 0 344.327 2.039 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000592972003 468831127 /nfs/dbraw/zinc/83/11/27/468831127.db2.gz GVOBUWYEWGQLSR-ZDUSSCGKSA-N -1 0 347.302 2.405 20 5 EEBDRM O=C([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])s3)CC2)nc1 ZINC000592980109 468833655 /nfs/dbraw/zinc/83/36/55/468833655.db2.gz DDQCPXJTRORVHA-UHFFFAOYSA-N -1 0 334.357 2.076 20 5 EEBDRM CC(C)[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCOCC1 ZINC000573210663 469082723 /nfs/dbraw/zinc/08/27/23/469082723.db2.gz QWFMXCDQRBWEAZ-HNNXBMFYSA-N -1 0 337.376 2.062 20 5 EEBDRM O=C([O-])CCN(CC1CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000610844559 469087297 /nfs/dbraw/zinc/08/72/97/469087297.db2.gz XYQRROTYVHGUBK-UHFFFAOYSA-N -1 0 335.360 2.110 20 5 EEBDRM Cc1c(CC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000596002321 469112428 /nfs/dbraw/zinc/11/24/28/469112428.db2.gz XRIODMBNIJXJPW-UHFFFAOYSA-N -1 0 346.343 2.101 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000611463308 469254091 /nfs/dbraw/zinc/25/40/91/469254091.db2.gz OACUDUQXOPJZNN-CQSZACIVSA-N -1 0 333.344 2.234 20 5 EEBDRM CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000604031012 469453150 /nfs/dbraw/zinc/45/31/50/469453150.db2.gz SSDKFCNUOWIPDA-JTQLQIEISA-N -1 0 328.390 2.498 20 5 EEBDRM CC(C)Oc1ncccc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612527353 469487547 /nfs/dbraw/zinc/48/75/47/469487547.db2.gz VYCMPKIIWLJXPE-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM CCC(C)(C)N(C)C(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000619588924 469645851 /nfs/dbraw/zinc/64/58/51/469645851.db2.gz CQMPFBJZSAJZFA-LBPRGKRZSA-N -1 0 337.376 2.421 20 5 EEBDRM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000618250269 469939872 /nfs/dbraw/zinc/93/98/72/469939872.db2.gz UKDJKLGVTPQYRH-ZDUSSCGKSA-N -1 0 328.324 2.293 20 5 EEBDRM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000618249957 469939958 /nfs/dbraw/zinc/93/99/58/469939958.db2.gz KFEALEGFSGKDID-ZDUSSCGKSA-N -1 0 328.324 2.293 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCO[C@H](Cc2ccccc2)C1 ZINC000181251502 534740021 /nfs/dbraw/zinc/74/00/21/534740021.db2.gz YPCUJBZGLPLVOD-CQSZACIVSA-N -1 0 342.351 2.384 20 5 EEBDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C)c([N+](=O)[O-])cc1C ZINC000191565038 534821512 /nfs/dbraw/zinc/82/15/12/534821512.db2.gz UOHNMIIDRCFWLI-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000262911084 535286468 /nfs/dbraw/zinc/28/64/68/535286468.db2.gz ISHQMOFHXOMAJY-KRWDZBQOSA-N -1 0 334.372 2.487 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000738477666 578016590 /nfs/dbraw/zinc/01/65/90/578016590.db2.gz AJDUDHYSJJZNBU-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])c1cc(OCC(=O)OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000739328741 575986018 /nfs/dbraw/zinc/98/60/18/575986018.db2.gz MWNIUKYRPSMDTP-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM O=C([O-])N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000739389715 576016107 /nfs/dbraw/zinc/01/61/07/576016107.db2.gz WJQHBJVMXHQENQ-QMMMGPOBSA-N -1 0 327.724 2.120 20 5 EEBDRM C[C@@H](OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000737749874 576061208 /nfs/dbraw/zinc/06/12/08/576061208.db2.gz SDVCLMICRUBESK-WDEREUQCSA-N -1 0 336.344 2.461 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000734708874 577322480 /nfs/dbraw/zinc/32/24/80/577322480.db2.gz JXIKGQPMAMOERE-QMMMGPOBSA-N -1 0 332.353 2.221 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776510475 577461192 /nfs/dbraw/zinc/46/11/92/577461192.db2.gz HFXMFWWWNOGAQB-MWLCHTKSSA-N -1 0 326.374 2.144 20 5 EEBDRM CCCCCC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)[O-] ZINC000777369218 577477371 /nfs/dbraw/zinc/47/73/71/577477371.db2.gz JRDVOQGAOJBSDW-OAHLLOKOSA-N -1 0 325.365 2.477 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cs1 ZINC000768886983 577564998 /nfs/dbraw/zinc/56/49/98/577564998.db2.gz FWWQDAAANLLBOT-UHFFFAOYSA-N -1 0 328.375 2.064 20 5 EEBDRM O=C(C=C1CCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770771626 577603390 /nfs/dbraw/zinc/60/33/90/577603390.db2.gz GWWLLXIFAATJHL-UHFFFAOYSA-N -1 0 328.321 2.039 20 5 EEBDRM O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000759939981 577654378 /nfs/dbraw/zinc/65/43/78/577654378.db2.gz MXKVKBYPNOLNAF-QWRGUYRKSA-N -1 0 349.303 2.368 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccncc2)C2CC2)ccc1[O-] ZINC000748968753 577969636 /nfs/dbraw/zinc/96/96/36/577969636.db2.gz OXWAVVXLKPGZOG-UHFFFAOYSA-N -1 0 349.368 2.049 20 5 EEBDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000750672473 577996988 /nfs/dbraw/zinc/99/69/88/577996988.db2.gz DOPHMQGUPKKEBN-UHFFFAOYSA-N -1 0 332.765 2.243 20 5 EEBDRM O=C([O-])Cc1nc(NC(=O)c2cc3ccccc3c3cccnc23)n[nH]1 ZINC000739910800 578072918 /nfs/dbraw/zinc/07/29/18/578072918.db2.gz PLVHMZWKPVDOGY-UHFFFAOYSA-N -1 0 347.334 2.386 20 5 EEBDRM O=C([O-])c1cnc(N(C(=O)Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000740259686 578087939 /nfs/dbraw/zinc/08/79/39/578087939.db2.gz MSBCCCZXNMPESC-UHFFFAOYSA-N -1 0 347.352 2.488 20 5 EEBDRM O=C([O-])c1sccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000740291297 578089244 /nfs/dbraw/zinc/08/92/44/578089244.db2.gz ZHUDTJWGOLCKJL-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM CC(C)c1ncncc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736531599 578209638 /nfs/dbraw/zinc/20/96/38/578209638.db2.gz ADDVGHNNKLPTNG-UHFFFAOYSA-N -1 0 330.300 2.459 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N[C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736658188 578216911 /nfs/dbraw/zinc/21/69/11/578216911.db2.gz ZZMCGXLTRQQHAZ-JBLDHEPKSA-N -1 0 335.360 2.398 20 5 EEBDRM CCC[C@](C)(NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)[O-] ZINC000736959981 578230892 /nfs/dbraw/zinc/23/08/92/578230892.db2.gz STMFWOLULILHFN-HNNXBMFYSA-N -1 0 334.332 2.378 20 5 EEBDRM COc1cc(N(C)Cc2ccc(-c3nn[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000737053657 578235395 /nfs/dbraw/zinc/23/53/95/578235395.db2.gz JTFJAGONBMJLFE-UHFFFAOYSA-N -1 0 340.343 2.420 20 5 EEBDRM Nc1c(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000833090150 601285735 /nfs/dbraw/zinc/28/57/35/601285735.db2.gz OZLDTRDVIXSFTR-UHFFFAOYSA-N -1 0 330.300 2.197 20 5 EEBDRM CN(C)c1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccn1 ZINC000830631408 601447442 /nfs/dbraw/zinc/44/74/42/601447442.db2.gz GYOPQHYPUHLRDU-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000828393028 601693888 /nfs/dbraw/zinc/69/38/88/601693888.db2.gz FXWTUNGDTDXLTK-XVKPBYJWSA-N -1 0 346.261 2.406 20 5 EEBDRM CCC(=O)N1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000828562256 602326338 /nfs/dbraw/zinc/32/63/38/602326338.db2.gz MVPONFCVZXOVNJ-FUEXJSSKSA-N -1 0 333.344 2.115 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC(=O)[O-])C1CCCC1 ZINC000832905440 602339655 /nfs/dbraw/zinc/33/96/55/602339655.db2.gz LKLRGWLHTINHOI-UHFFFAOYSA-N -1 0 335.360 2.171 20 5 EEBDRM CN(CCCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000828286212 603716286 /nfs/dbraw/zinc/71/62/86/603716286.db2.gz ZIMVPMDZWSOZMN-UHFFFAOYSA-N -1 0 329.740 2.254 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N[C@@H]2CC(=O)N(C3CC3)C2)cc1Cl ZINC000833306650 604271343 /nfs/dbraw/zinc/27/13/43/604271343.db2.gz BFYXMGFJJPWDRU-SSDOTTSWSA-N -1 0 339.735 2.122 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000833554383 605297653 /nfs/dbraw/zinc/29/76/53/605297653.db2.gz XOGGELPZNLIMME-CYBMUJFWSA-N -1 0 328.271 2.010 20 5 EEBDRM C/C(=C/COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000833384014 605460443 /nfs/dbraw/zinc/46/04/43/605460443.db2.gz QDAUUMSTQFZCER-DAXSKMNVSA-N -1 0 331.227 2.384 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000120167178 674700115 /nfs/dbraw/zinc/70/01/15/674700115.db2.gz HQKNHFQHJQJJQK-UHFFFAOYSA-N -1 0 330.753 2.265 20 5 EEBDRM C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000177712496 676182779 /nfs/dbraw/zinc/18/27/79/676182779.db2.gz PRWUYZLGZHZPPO-MNOVXSKESA-N -1 0 326.374 2.226 20 5 EEBDRM O=[N+]([O-])c1cccnc1N1CCN(Cc2ccc(O)c(F)c2)CC1 ZINC000894802876 683100257 /nfs/dbraw/zinc/10/02/57/683100257.db2.gz RZAOTEBNIRTBNQ-UHFFFAOYSA-N -1 0 332.335 2.157 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000263326319 689678967 /nfs/dbraw/zinc/67/89/67/689678967.db2.gz KPTMVFLYISTLAP-BDAKNGLRSA-N -1 0 326.736 2.431 20 5 EEBDRM CCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cn1 ZINC000126188443 1199787977 /nfs/dbraw/zinc/78/79/77/1199787977.db2.gz CVIXIUUJPMBMIA-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM C[C@](O)(CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000779347545 1210023277 /nfs/dbraw/zinc/02/32/77/1210023277.db2.gz SASJCGHWRZIOQO-KRWDZBQOSA-N -1 0 330.340 2.328 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000083955259 1211514469 /nfs/dbraw/zinc/51/44/69/1211514469.db2.gz GSZMLDPUAYJWJE-UHFFFAOYSA-N -1 0 348.793 2.463 20 5 EEBDRM CSc1ccc(C(=O)OCc2n[n-]c(C)cc2=O)cc1[N+](=O)[O-] ZINC000802173401 1237050839 /nfs/dbraw/zinc/05/08/39/1237050839.db2.gz ABAVEZSILYWMRY-UHFFFAOYSA-N -1 0 335.341 2.478 20 5 EEBDRM CCOC(=O)c1cc(Nc2ccc(C(N)=O)c(O)c2)cc([N+](=O)[O-])c1 ZINC001211375495 1295858093 /nfs/dbraw/zinc/85/80/93/1295858093.db2.gz HWJSPIGYOSFDBY-UHFFFAOYSA-N -1 0 345.311 2.320 20 5 EEBDRM COc1cnc(-c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)c(OC)c1 ZINC001216925252 1297334172 /nfs/dbraw/zinc/33/41/72/1297334172.db2.gz MCOAEFNJRZVCAN-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2C[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC001226020221 1301235944 /nfs/dbraw/zinc/23/59/44/1301235944.db2.gz HIJXDZIKKVRMJB-OPRDCNLKSA-N -1 0 339.348 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)CCc2ccccc2)c1[N+](=O)[O-] ZINC001226650241 1301493381 /nfs/dbraw/zinc/49/33/81/1301493381.db2.gz SYKDYWAGIGFKJZ-JTQLQIEISA-N -1 0 347.327 2.277 20 5 EEBDRM COCC(=O)c1ccc(O)cc1O[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001227173002 1301719616 /nfs/dbraw/zinc/71/96/16/1301719616.db2.gz UAGNYUWETCGOLD-SNVBAGLBSA-N -1 0 349.343 2.102 20 5 EEBDRM CC[C@@H]1OC(=O)C(Oc2cc([O-])c(C(=O)OC)cc2[N+](=O)[O-])=C1C ZINC001228808727 1302458082 /nfs/dbraw/zinc/45/80/82/1302458082.db2.gz DBKITTBLAFTGSL-NSHDSACASA-N -1 0 337.284 2.075 20 5 EEBDRM CCCOC(=O)[C@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228859948 1302488163 /nfs/dbraw/zinc/48/81/63/1302488163.db2.gz OICQXEDYBFZMNK-LURJTMIESA-N -1 0 338.238 2.435 20 5 EEBDRM CC(C)(C)OC(=O)N1C[C@H](Oc2cc([N+](=O)[O-])ccc2O)CC1=O ZINC001229394817 1302761927 /nfs/dbraw/zinc/76/19/27/1302761927.db2.gz CCONDBFSUJCLPM-SNVBAGLBSA-N -1 0 338.316 2.215 20 5 EEBDRM O=c1oc2cc(O)ccc2c2cc(O[C@@H]3CCCOC3=O)c(O)cc12 ZINC001229803778 1302950584 /nfs/dbraw/zinc/95/05/84/1302950584.db2.gz SCLGIYLSVNGIND-CQSZACIVSA-N -1 0 342.303 2.442 20 5 EEBDRM COc1ccc([C@H](C)Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])cn1 ZINC001231069683 1303608572 /nfs/dbraw/zinc/60/85/72/1303608572.db2.gz BWOSOYAHYKOMRD-LURJTMIESA-N -1 0 326.696 2.287 20 5 EEBDRM CC(C)CCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000796864409 1304590777 /nfs/dbraw/zinc/59/07/77/1304590777.db2.gz NOFVCYYFKBLPLI-UHFFFAOYSA-N -1 0 342.417 2.365 20 5 EEBDRM COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H]1SC(=O)[N-]C1=O ZINC001163671405 1321188161 /nfs/dbraw/zinc/18/81/61/1321188161.db2.gz DVAFLTAOLWXSFL-JTQLQIEISA-N -1 0 331.737 2.286 20 5 EEBDRM O=C([N-]CCNc1ccc2cc([N+](=O)[O-])ccc2n1)C(F)(F)F ZINC001164237804 1321326889 /nfs/dbraw/zinc/32/68/89/1321326889.db2.gz IWGXQNGAWLYPSY-UHFFFAOYSA-N -1 0 328.250 2.233 20 5 EEBDRM O=C([O-])c1ccc(OCc2cnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC001602392326 1350509675 /nfs/dbraw/zinc/50/96/75/1350509675.db2.gz AQELJVRRYBNGMD-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM CNc1c(C(=O)Nc2nc(C)c(C(=O)[O-])s2)cccc1[N+](=O)[O-] ZINC001606309292 1351291635 /nfs/dbraw/zinc/29/16/35/1351291635.db2.gz WZLLEJUAUAYHEV-UHFFFAOYSA-N -1 0 336.329 2.352 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)n1 ZINC001607709587 1351543977 /nfs/dbraw/zinc/54/39/77/1351543977.db2.gz KTUGBGHTSABKSN-BDJLRTHQSA-N -1 0 333.344 2.015 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC001608632953 1351730046 /nfs/dbraw/zinc/73/00/46/1351730046.db2.gz HQLCWJGNVGXWFW-DMDPSCGWSA-N -1 0 336.319 2.449 20 5 EEBDRM O=C([O-])CC1(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCCCC1 ZINC001608679671 1351740319 /nfs/dbraw/zinc/74/03/19/1351740319.db2.gz FTMOTYHGFUWLTP-UHFFFAOYSA-N -1 0 344.755 2.126 20 5 EEBDRM O=C([O-])CN(CCC(F)(F)F)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001608745427 1351754742 /nfs/dbraw/zinc/75/47/42/1351754742.db2.gz JTCUEAUWGYGAGL-UHFFFAOYSA-N -1 0 332.238 2.315 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001608862884 1351780970 /nfs/dbraw/zinc/78/09/70/1351780970.db2.gz PTEXGQQOYSTZQK-GMEUVTARSA-N -1 0 342.735 2.162 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2n[nH]cc2Br)c1 ZINC001608915055 1351793514 /nfs/dbraw/zinc/79/35/14/1351793514.db2.gz BCLOJVFSGWLZLN-UHFFFAOYSA-N -1 0 341.121 2.391 20 5 EEBDRM O=C([O-])c1cnc(NCCOc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC001608977836 1351806498 /nfs/dbraw/zinc/80/64/98/1351806498.db2.gz FKEFNCINBGQYBA-UHFFFAOYSA-N -1 0 338.707 2.227 20 5 EEBDRM CN(C)c1ccc(CCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001326694760 1334144811 /nfs/dbraw/zinc/14/48/11/1334144811.db2.gz ZNORWRWMBHIEAH-UHFFFAOYSA-N -1 0 330.344 2.409 20 5 EEBDRM Cn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001339552549 1337026987 /nfs/dbraw/zinc/02/69/87/1337026987.db2.gz IWOGMDJNSALAQE-BETUJISGSA-N -1 0 341.371 2.498 20 5 EEBDRM CC[C@H](C)C[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001609903125 1352115816 /nfs/dbraw/zinc/11/58/16/1352115816.db2.gz BTKMHPIMDADFIP-SDBXPKJASA-N -1 0 344.314 2.421 20 5 EEBDRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892715 1338365761 /nfs/dbraw/zinc/36/57/61/1338365761.db2.gz HQXARFQNEKFNEB-NSHDSACASA-N -1 0 343.405 2.401 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001610437294 1352222400 /nfs/dbraw/zinc/22/24/00/1352222400.db2.gz PCNZJDAAGDLJEL-UHFFFAOYSA-N -1 0 344.283 2.425 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C(C)(C)CC(=O)[O-])c1C ZINC001610515185 1352236503 /nfs/dbraw/zinc/23/65/03/1352236503.db2.gz VWFUEIZIJMUCJL-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM O=C([O-])[C@]1(c2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001610729778 1352265972 /nfs/dbraw/zinc/26/59/72/1352265972.db2.gz OXPOJKLFPWHBHO-MRXNPFEDSA-N -1 0 331.303 2.362 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001594901850 1349878716 /nfs/dbraw/zinc/87/87/16/1349878716.db2.gz KIRGYXXROVTMMU-TVQRCGJNSA-N -1 0 326.374 2.302 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001595167898 1349881679 /nfs/dbraw/zinc/88/16/79/1349881679.db2.gz JESIMIILNMGJMF-INIZCTEOSA-N -1 0 336.347 2.371 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](c3ccncc3)C2)n1 ZINC001600105419 1349972361 /nfs/dbraw/zinc/97/23/61/1349972361.db2.gz OXKXFFPSEPSNTL-GFCCVEGCSA-N -1 0 328.328 2.385 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001600165229 1349983758 /nfs/dbraw/zinc/98/37/58/1349983758.db2.gz ZAZLIXPYRQIVJU-AWEZNQCLSA-N -1 0 329.312 2.162 20 5 EEBDRM Cc1cc(N2CCN(C(=O)C(C)(C)C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240483 1349999691 /nfs/dbraw/zinc/99/96/91/1349999691.db2.gz MSKPCURSAAHHBN-UHFFFAOYSA-N -1 0 349.387 2.296 20 5 EEBDRM Cc1cc(OCC(=O)N2CCCC[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001600287941 1350011549 /nfs/dbraw/zinc/01/15/49/1350011549.db2.gz NIRQBTKVMLUWMW-LBPRGKRZSA-N -1 0 336.344 2.138 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)n1 ZINC001600303923 1350015862 /nfs/dbraw/zinc/01/58/62/1350015862.db2.gz ADDRHOYWJJHBTE-JTQLQIEISA-N -1 0 335.341 2.306 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])n1C ZINC001600487204 1350063278 /nfs/dbraw/zinc/06/32/78/1350063278.db2.gz SCWGNIORDKKSNG-UHFFFAOYSA-N -1 0 331.328 2.178 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001601217041 1350234060 /nfs/dbraw/zinc/23/40/60/1350234060.db2.gz ASNPNILDHCVEAU-UHFFFAOYSA-N -1 0 335.360 2.332 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC001601359202 1350265927 /nfs/dbraw/zinc/26/59/27/1350265927.db2.gz AIXOMRAUBBWWBA-NSHDSACASA-N -1 0 340.763 2.408 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CCC[C@H]2OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001601384851 1350271321 /nfs/dbraw/zinc/27/13/21/1350271321.db2.gz WCPMSRPBHGKZBI-CQSZACIVSA-N -1 0 345.311 2.110 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cccnc1 ZINC001601402007 1350275192 /nfs/dbraw/zinc/27/51/92/1350275192.db2.gz JRCNVNZFCLFIIM-CQSZACIVSA-N -1 0 340.295 2.027 20 5 EEBDRM O=C([O-])c1cc2c(cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1)OCO2 ZINC001601593385 1350314766 /nfs/dbraw/zinc/31/47/66/1350314766.db2.gz BLBSXVMDYPPHGM-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1CCOC1 ZINC001601655367 1350329711 /nfs/dbraw/zinc/32/97/11/1350329711.db2.gz MWGCDRRJVIYCAE-PWSUYJOCSA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCOC1 ZINC001601655882 1350329934 /nfs/dbraw/zinc/32/99/34/1350329934.db2.gz UBJQBKTWRLQTKK-ZWNOBZJWSA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])C1(CS(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC001601717545 1350346720 /nfs/dbraw/zinc/34/67/20/1350346720.db2.gz SBVMQCISPRBEAL-UHFFFAOYSA-N -1 0 349.748 2.212 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]2CCC[C@@H]21 ZINC001601827315 1350374021 /nfs/dbraw/zinc/37/40/21/1350374021.db2.gz HJGDUBAMNXZLBJ-GYSYKLTISA-N -1 0 336.319 2.449 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NC[C@@H]2CN(C3CC3)C(=O)O2)c([N+](=O)[O-])c1 ZINC001601881541 1350389447 /nfs/dbraw/zinc/38/94/47/1350389447.db2.gz CXJVIJKKWHWCRV-DBGMKRSLSA-N -1 0 347.327 2.088 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@H]2CCCC23OCCO3)c([N+](=O)[O-])c1 ZINC001601883082 1350389706 /nfs/dbraw/zinc/38/97/06/1350389706.db2.gz QIPUGYNSQRGQAE-YVZNUBBCSA-N -1 0 334.328 2.400 20 5 EEBDRM O=C([O-])CC1CC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC001601945251 1350403026 /nfs/dbraw/zinc/40/30/26/1350403026.db2.gz DMYWLKQHYYVTJO-UHFFFAOYSA-N -1 0 347.371 2.178 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001602137799 1350448303 /nfs/dbraw/zinc/44/83/03/1350448303.db2.gz PHVPJFZUJUCBSW-LBPRGKRZSA-N -1 0 344.323 2.474 20 5 EEBDRM O=C([O-])Cn1ncc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC001602168135 1350456699 /nfs/dbraw/zinc/45/66/99/1350456699.db2.gz DXFUTTKRABLYFC-UHFFFAOYSA-N -1 0 346.324 2.343 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC(c3ncc[nH]3)CC2)cc([N+](=O)[O-])c1 ZINC001602243176 1350474604 /nfs/dbraw/zinc/47/46/04/1350474604.db2.gz UPVBGVCBMDEXOK-UHFFFAOYSA-N -1 0 344.327 2.036 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2c(F)cc(O)cc2F)n1 ZINC001602405648 1350512096 /nfs/dbraw/zinc/51/20/96/1350512096.db2.gz CPYDDBKTDJXMQQ-UHFFFAOYSA-N -1 0 339.254 2.326 20 5 EEBDRM O=C([O-])c1coc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001602552346 1350544440 /nfs/dbraw/zinc/54/44/40/1350544440.db2.gz OAWDZQHPCIPWFW-CYBMUJFWSA-N -1 0 346.295 2.322 20 5 EEBDRM O=C([O-])c1coc(/C=C/C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001602554181 1350544922 /nfs/dbraw/zinc/54/49/22/1350544922.db2.gz ZFYRBTQJGYFTKD-ONEGZZNKSA-N -1 0 342.307 2.484 20 5 EEBDRM CC(=O)c1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)o1 ZINC001603108669 1350641759 /nfs/dbraw/zinc/64/17/59/1350641759.db2.gz BGLJERCIRDNWIC-MRXNPFEDSA-N -1 0 346.295 2.120 20 5 EEBDRM CC(C)COC(=O)N(C)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001603821320 1350775938 /nfs/dbraw/zinc/77/59/38/1350775938.db2.gz DDORJUBBAAPBCQ-UHFFFAOYSA-N -1 0 326.305 2.354 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)NCCc2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC001603987138 1350820962 /nfs/dbraw/zinc/82/09/62/1350820962.db2.gz FIDXIYUPPXJXPZ-UHFFFAOYSA-N -1 0 346.343 2.112 20 5 EEBDRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001604062529 1350843688 /nfs/dbraw/zinc/84/36/88/1350843688.db2.gz WPWGSHOZNOMCER-XDVGHUOJSA-N -1 0 332.234 2.373 20 5 EEBDRM C[C@H](CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC001604150047 1350874932 /nfs/dbraw/zinc/87/49/32/1350874932.db2.gz OXQIKBMWAYFWIS-LLVKDONJSA-N -1 0 348.355 2.269 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NC/C=C\C2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604315624 1350913847 /nfs/dbraw/zinc/91/38/47/1350913847.db2.gz ZILJPDGAJPUCGC-MXQLGCADSA-N -1 0 333.344 2.176 20 5 EEBDRM Cc1cc(C)cc(OCCCn2cc([N+](=O)[O-])c(-c3nnn[n-]3)n2)c1 ZINC001605647622 1351209439 /nfs/dbraw/zinc/20/94/39/1351209439.db2.gz VUBWCMSSGKHFMJ-UHFFFAOYSA-N -1 0 343.347 2.057 20 5 EEBDRM CCOc1cc(N2CC(c3cc(C(=O)[O-])n[nH]3)C2)ccc1[N+](=O)[O-] ZINC001605672424 1351214760 /nfs/dbraw/zinc/21/47/60/1351214760.db2.gz YBGLSUZLNKTTPW-UHFFFAOYSA-N -1 0 332.316 2.019 20 5 EEBDRM CCc1n[nH]c(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)c1[N+](=O)[O-] ZINC001605776195 1351222910 /nfs/dbraw/zinc/22/29/10/1351222910.db2.gz SBWUGPYKDNHKOX-UHFFFAOYSA-N -1 0 338.364 2.034 20 5 EEBDRM Cc1cccc(CN(C)c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)c1 ZINC001605913499 1351252195 /nfs/dbraw/zinc/25/21/95/1351252195.db2.gz PKIWJCHKDTUFKV-UHFFFAOYSA-N -1 0 339.359 2.302 20 5 EEBDRM COc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607068449 1351406381 /nfs/dbraw/zinc/40/63/81/1351406381.db2.gz WHUCIVDCQBOTCD-PELKAZGASA-N -1 0 340.307 2.068 20 5 EEBDRM COc1cc(Oc2ccc([N+](=O)[O-])c(C(N)=O)c2)ccc1C(=O)[O-] ZINC001607188693 1351446150 /nfs/dbraw/zinc/44/61/50/1351446150.db2.gz GLYHICYTEHECIU-UHFFFAOYSA-N -1 0 332.268 2.193 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001607534319 1351511981 /nfs/dbraw/zinc/51/19/81/1351511981.db2.gz JDOXECIISRPYCE-QFYYESIMSA-N -1 0 336.319 2.369 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCc3ccccc3[C@@H]2CO)n1 ZINC001607589295 1351520413 /nfs/dbraw/zinc/52/04/13/1351520413.db2.gz QTCYYYVETMNQBY-AWEZNQCLSA-N -1 0 343.339 2.093 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC001607826454 1351566461 /nfs/dbraw/zinc/56/64/61/1351566461.db2.gz OFPJOXXKEAGFDJ-IINYFYTJSA-N -1 0 335.360 2.027 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1O ZINC001608313586 1351669337 /nfs/dbraw/zinc/66/93/37/1351669337.db2.gz OFFZFCOKRJKSNO-UHFFFAOYSA-N -1 0 346.295 2.406 20 5 EEBDRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC=CCC1 ZINC000835275136 1372608743 /nfs/dbraw/zinc/60/87/43/1372608743.db2.gz AJHOXTJIVDNIEQ-AWEZNQCLSA-N -1 0 342.348 2.285 20 5 EEBDRM CN(c1ccccc1)[C@@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001606181446 1404774171 /nfs/dbraw/zinc/77/41/71/1404774171.db2.gz ALKJSUMNFQEGPQ-CQSZACIVSA-N -1 0 342.355 2.403 20 5 EEBDRM CNC(=O)[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001606262270 1404778535 /nfs/dbraw/zinc/77/85/35/1404778535.db2.gz UKYCRVYNTAYICL-HTQZYQBOSA-N -1 0 341.751 2.273 20 5 EEBDRM CNc1nccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1[N+](=O)[O-] ZINC001606313870 1404787964 /nfs/dbraw/zinc/78/79/64/1404787964.db2.gz BGNCDVXMBQHMEV-UHFFFAOYSA-N -1 0 348.290 2.430 20 5 EEBDRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000175690030 773680203 /nfs/dbraw/zinc/68/02/03/773680203.db2.gz PUQPYFHTTVRUML-UHFFFAOYSA-N -1 0 328.375 2.051 20 5 EEBDRM O=C(CCc1ccccc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160643 775483416 /nfs/dbraw/zinc/48/34/16/775483416.db2.gz IUCYRIGHCBAJHW-UHFFFAOYSA-N -1 0 340.382 2.094 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)[N-]C(=O)CC1CC1 ZINC000888099121 777739409 /nfs/dbraw/zinc/73/94/09/777739409.db2.gz AAYPMJJVOKCRQO-UHFFFAOYSA-N -1 0 332.765 2.162 20 5 EEBDRM Cc1cc(N2CCC[C@H](C3OCCO3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844209897 788927655 /nfs/dbraw/zinc/92/76/55/788927655.db2.gz YXOYPYGEKDOYEG-NSHDSACASA-N -1 0 336.344 2.191 20 5 EEBDRM COc1ccccc1[C@H](O)CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844209184 788928382 /nfs/dbraw/zinc/92/83/82/788928382.db2.gz XAAXBBWUEVFXRK-GFCCVEGCSA-N -1 0 347.327 2.151 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923222424 789157546 /nfs/dbraw/zinc/15/75/46/789157546.db2.gz KPKFSHUOJWMPBS-NSHDSACASA-N -1 0 329.150 2.406 20 5 EEBDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000170939860 791156893 /nfs/dbraw/zinc/15/68/93/791156893.db2.gz XIJDBPWCFRPYJM-NSHDSACASA-N -1 0 328.390 2.472 20 5 EEBDRM CCC(=CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)CC ZINC000151759432 794143991 /nfs/dbraw/zinc/14/39/91/794143991.db2.gz XAHHEMJOTQGGOT-UHFFFAOYSA-N -1 0 326.374 2.455 20 5 EEBDRM Nc1c2c(=O)nccc-2[n-]n1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900059 797129085 /nfs/dbraw/zinc/12/90/85/797129085.db2.gz BLDKLPYOFWMEOA-LBPRGKRZSA-N -1 0 339.355 2.287 20 5 EEBDRM CS(=O)(=O)c1ccccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504675 797785029 /nfs/dbraw/zinc/78/50/29/797785029.db2.gz XOBQWYNNROIHSM-UHFFFAOYSA-N -1 0 336.325 2.440 20 5 EEBDRM COc1cc2c(cnn2-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1N ZINC001174507143 797785573 /nfs/dbraw/zinc/78/55/73/797785573.db2.gz DZKZQJURSUXECC-UHFFFAOYSA-N -1 0 328.284 2.223 20 5 EEBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOC(F)(F)F ZINC000788915996 807758759 /nfs/dbraw/zinc/75/87/59/807758759.db2.gz IAIZKFVMJUMXON-UHFFFAOYSA-N -1 0 348.686 2.063 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001611377593 971020428 /nfs/dbraw/zinc/02/04/28/971020428.db2.gz DHSOWJDITZLLNU-ZETCQYMHSA-N -1 0 332.234 2.160 20 5 EEBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC001589604305 949222425 /nfs/dbraw/zinc/22/24/25/949222425.db2.gz TXPQSXDHQNTECV-MRXNPFEDSA-N -1 0 335.360 2.354 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001589272622 953426971 /nfs/dbraw/zinc/42/69/71/953426971.db2.gz XBTFVKFXQLESLD-IUCAKERBSA-N -1 0 325.296 2.308 20 5 EEBDRM C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)[O-] ZINC001589325061 953895063 /nfs/dbraw/zinc/89/50/63/953895063.db2.gz GPSALAPSOQCNIC-AQNFWKISSA-N -1 0 332.356 2.410 20 5 EEBDRM O=C([O-])[C@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)C1CC1 ZINC001594836909 954033383 /nfs/dbraw/zinc/03/33/83/954033383.db2.gz DQNQVMHCJPKPCI-LBPRGKRZSA-N -1 0 330.300 2.034 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001593803676 954869760 /nfs/dbraw/zinc/86/97/60/954869760.db2.gz PVELFQPRMLOOCE-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM Nc1c(Cl)cc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001594662912 956546267 /nfs/dbraw/zinc/54/62/67/956546267.db2.gz INUXRKYJLAJJLZ-UHFFFAOYSA-N -1 0 336.691 2.176 20 5 EEBDRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCCc1cccc([N+](=O)[O-])c1 ZINC001594672335 956624177 /nfs/dbraw/zinc/62/41/77/956624177.db2.gz HASIHGWCAXOSRY-FNORWQNLSA-N -1 0 330.296 2.258 20 5 EEBDRM O=C([O-])c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)nc2ccccn21 ZINC001594707560 956850545 /nfs/dbraw/zinc/85/05/45/956850545.db2.gz JCMHPOGHJWFQAU-UHFFFAOYSA-N -1 0 340.295 2.122 20 5 EEBDRM Cc1cccc([C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001594398770 958811087 /nfs/dbraw/zinc/81/10/87/958811087.db2.gz XFGAMZJRYLHZQF-AWEZNQCLSA-N -1 0 344.327 2.433 20 5 EEBDRM C[C@H](C(=O)[O-])c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC001588604325 959467419 /nfs/dbraw/zinc/46/74/19/959467419.db2.gz USCAGWPFTCYKDC-QMMMGPOBSA-N -1 0 329.272 2.019 20 5 EEBDRM C[C@H](C(=O)[O-])c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC001588604691 959471731 /nfs/dbraw/zinc/47/17/31/959471731.db2.gz WZIKKEIPDJKRND-WRWORJQWSA-N -1 0 332.272 2.032 20 5 EEBDRM CC(C)(C(=O)NCC1(C(=O)[O-])CCC1)c1ccc([N+](=O)[O-])cc1F ZINC001588610205 959503404 /nfs/dbraw/zinc/50/34/04/959503404.db2.gz WGQQKKKFFPDTJF-UHFFFAOYSA-N -1 0 338.335 2.383 20 5 EEBDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001588641015 959693467 /nfs/dbraw/zinc/69/34/67/959693467.db2.gz UFKXGEUADYMPRM-LBPRGKRZSA-N -1 0 341.291 2.207 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001603380013 972944037 /nfs/dbraw/zinc/94/40/37/972944037.db2.gz CCKROMKACBUTHO-AAEUAGOBSA-N -1 0 348.355 2.269 20 5 EEBDRM COc1cccc(C(=O)Nc2ccccc2CC(=O)[O-])c1[N+](=O)[O-] ZINC001604856910 974100007 /nfs/dbraw/zinc/10/00/07/974100007.db2.gz JDOWNBRTRDPPNY-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM C[C@H](/C=C/C(=O)[O-])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001592193877 977156423 /nfs/dbraw/zinc/15/64/23/977156423.db2.gz RQWIUVRSNIAWIO-OSOUNJMWSA-N -1 0 342.735 2.163 20 5 EEBDRM C[C@](NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593014491 980254976 /nfs/dbraw/zinc/25/49/76/980254976.db2.gz MFXGRRBYUPEVLO-NDIKUOACSA-N -1 0 332.356 2.447 20 5 EEBDRM CCC(O)(CC)CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595324935 980529680 /nfs/dbraw/zinc/52/96/80/980529680.db2.gz HNGUZOUAVMWBNJ-UHFFFAOYSA-N -1 0 339.348 2.274 20 5 EEBDRM CCC[C@@]1(CO)CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595616869 981646576 /nfs/dbraw/zinc/64/65/76/981646576.db2.gz HBRMETQNWUKJPV-INIZCTEOSA-N -1 0 336.344 2.060 20 5 EEBDRM CCCn1cc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])nn1 ZINC001596116492 983448240 /nfs/dbraw/zinc/44/82/40/983448240.db2.gz GOAGQXWSHGXPDO-XQRVVYSFSA-N -1 0 331.332 2.306 20 5 EEBDRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001596876079 985724663 /nfs/dbraw/zinc/72/46/63/985724663.db2.gz SNJQJINBKBNYKF-LBPRGKRZSA-N -1 0 344.751 2.118 20 5 EEBDRM C[C@@H]1COC2(CCC2)CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594593624 986503294 /nfs/dbraw/zinc/50/32/94/986503294.db2.gz VGZFUOJGRKFDTG-SNVBAGLBSA-N -1 0 334.328 2.077 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001597250239 987235203 /nfs/dbraw/zinc/23/52/03/987235203.db2.gz POBVSJIWCLMPIR-BADDSXTQSA-N -1 0 341.389 2.180 20 5 EEBDRM CCc1[nH]c(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)c(C)c1C(=O)[O-] ZINC001597374166 987560118 /nfs/dbraw/zinc/56/01/18/987560118.db2.gz HBCFWVBYSHETGN-UHFFFAOYSA-N -1 0 348.315 2.148 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(C(=O)[O-])no2)c1 ZINC001599823034 988547832 /nfs/dbraw/zinc/54/78/32/988547832.db2.gz UMQIITJHOXGHQV-UHFFFAOYSA-N -1 0 338.297 2.360 20 5 EEBDRM C[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC001599868178 989304998 /nfs/dbraw/zinc/30/49/98/989304998.db2.gz JGYMXIDHLKOYCI-XCBNKYQSSA-N -1 0 345.149 2.036 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)n1 ZINC001597899845 989772923 /nfs/dbraw/zinc/77/29/23/989772923.db2.gz UKOAHYRTVJLEON-UHFFFAOYSA-N -1 0 336.279 2.209 20 5 EEBDRM CN(C(=O)COc1ccsc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC001598033396 990255063 /nfs/dbraw/zinc/25/50/63/990255063.db2.gz OTAAFKWLVJPHHJ-UHFFFAOYSA-N -1 0 336.325 2.396 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001598530995 992780373 /nfs/dbraw/zinc/78/03/73/992780373.db2.gz MJXVDMYVHFNBIC-UHFFFAOYSA-N -1 0 330.300 2.352 20 5 EEBDRM C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593154820 993964450 /nfs/dbraw/zinc/96/44/50/993964450.db2.gz IVSURKAFYDPUAG-LURJTMIESA-N -1 0 339.304 2.380 20 5 EEBDRM C[C@@](NCc1nccn1C1CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593316711 994813598 /nfs/dbraw/zinc/81/35/98/994813598.db2.gz JPHNLLPUVAIGCH-INIZCTEOSA-N -1 0 330.344 2.216 20 5 EEBDRM COC(=O)[C@@H](CC1CC1)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001598698325 995178811 /nfs/dbraw/zinc/17/88/11/995178811.db2.gz OVXRDUPEMYOEGC-VUDGCMKMSA-N -1 0 334.328 2.446 20 5 EEBDRM COC(=O)[C@H](CC1CC1)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001598698324 995178959 /nfs/dbraw/zinc/17/89/59/995178959.db2.gz OVXRDUPEMYOEGC-VGVVRCBHSA-N -1 0 334.328 2.446 20 5 EEBDRM COC(=O)[C@@]1(C)CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001598717851 995436757 /nfs/dbraw/zinc/43/67/57/995436757.db2.gz JEFSYEIFOHGVQK-AWEZNQCLSA-N -1 0 342.735 2.336 20 5 EEBDRM CC1(C)C[C@]1(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001593865430 996671574 /nfs/dbraw/zinc/67/15/74/996671574.db2.gz QKVIMVYEXAAQOM-CQSZACIVSA-N -1 0 342.373 2.008 20 5 EEBDRM COc1cc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc([N+](=O)[O-])c1C ZINC001599354637 998157922 /nfs/dbraw/zinc/15/79/22/998157922.db2.gz GPWAWLZVRRHKKA-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001599461911 998286853 /nfs/dbraw/zinc/28/68/53/998286853.db2.gz ILPBKWKNRLRMPI-JTQLQIEISA-N -1 0 337.332 2.226 20 5 EEBDRM COC[C@@H](CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])OC ZINC001599162946 998489387 /nfs/dbraw/zinc/48/93/87/998489387.db2.gz QTXRASDLMXENMN-MRVPVSSYSA-N -1 0 332.740 2.410 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000263344780 295679527 /nfs/dbraw/zinc/67/95/27/295679527.db2.gz OIKHWYKZXBDRGI-NXEZZACHSA-N -1 0 338.385 2.500 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n(C)n1 ZINC000191902893 529559306 /nfs/dbraw/zinc/55/93/06/529559306.db2.gz GUOMRZONYZFVSC-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1cccc([N+](=O)[O-])c1[O-] ZINC000163037096 304004154 /nfs/dbraw/zinc/00/41/54/304004154.db2.gz UZYOEJZEKWHVJK-UHFFFAOYSA-N -1 0 327.296 2.437 20 5 EEBDRM C[C@@H](N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1)C(F)(F)F ZINC000179537022 233147106 /nfs/dbraw/zinc/14/71/06/233147106.db2.gz MRMUXNAGDFQXHJ-SECBINFHSA-N -1 0 347.293 2.009 20 5 EEBDRM Cc1cc(Cn2cc(Br)c([N+](=O)[O-])n2)oc1C(=O)[O-] ZINC000040517151 213331201 /nfs/dbraw/zinc/33/12/01/213331201.db2.gz NQLPBBJUKAGPKG-UHFFFAOYSA-N -1 0 330.094 2.202 20 5 EEBDRM C[C@@]1(NC(=O)CNc2ccccc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC000262807865 245189640 /nfs/dbraw/zinc/18/96/40/245189640.db2.gz OTQNSNCDTMPDCY-BDJLRTHQSA-N -1 0 335.360 2.156 20 5 EEBDRM CN(CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000262835052 245202302 /nfs/dbraw/zinc/20/23/02/245202302.db2.gz QTPZKAKCBVGEPN-YVEFUNNKSA-N -1 0 349.387 2.181 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000263457621 245423813 /nfs/dbraw/zinc/42/38/13/245423813.db2.gz UYDJCVFKWOQOBS-UHFFFAOYSA-N -1 0 332.715 2.253 20 5 EEBDRM COc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1OC ZINC000079064747 217185233 /nfs/dbraw/zinc/18/52/33/217185233.db2.gz XNJUFGMLOKZVTA-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273477534 256299960 /nfs/dbraw/zinc/29/99/60/256299960.db2.gz JZOHZXHENIAVAK-BDJLRTHQSA-N -1 0 336.344 2.152 20 5 EEBDRM CC1CCN(C(=O)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000276555238 256443670 /nfs/dbraw/zinc/44/36/70/256443670.db2.gz KYEYQGBXHXQFGQ-UHFFFAOYSA-N -1 0 341.751 2.151 20 5 EEBDRM CC[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000237067833 140889848 /nfs/dbraw/zinc/88/98/48/140889848.db2.gz CZLOEMRLKSUTOD-JTQLQIEISA-N -1 0 335.341 2.311 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000262743915 140892544 /nfs/dbraw/zinc/89/25/44/140892544.db2.gz HGITXOHHEXEYDM-AWEZNQCLSA-N -1 0 342.348 2.346 20 5 EEBDRM CCCC[C@H](NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000262464937 152282445 /nfs/dbraw/zinc/28/24/45/152282445.db2.gz NLZVJKGEMIJMDU-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM COc1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000261686458 160408216 /nfs/dbraw/zinc/40/82/16/160408216.db2.gz NESABOVLLIAIQQ-NSHDSACASA-N -1 0 336.344 2.320 20 5 EEBDRM O=C([O-])CC1(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000262117962 160439958 /nfs/dbraw/zinc/43/99/58/160439958.db2.gz JIDQHLURIUJXGR-UHFFFAOYSA-N -1 0 331.328 2.132 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1C(N)=O ZINC000103425783 159277799 /nfs/dbraw/zinc/27/77/99/159277799.db2.gz SHERDDGHAHETSD-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272679258 269007582 /nfs/dbraw/zinc/00/75/82/269007582.db2.gz MZYLJRLTNKPXAW-PXJNQOFFSA-N -1 0 340.401 2.110 20 5 EEBDRM CN1CCc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2C1=O ZINC000163386062 290253539 /nfs/dbraw/zinc/25/35/39/290253539.db2.gz FTALRAYGDLLZOD-UHFFFAOYSA-N -1 0 341.323 2.181 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000294062776 293360542 /nfs/dbraw/zinc/36/05/42/293360542.db2.gz HMBVPPPMUVTAAT-HNNXBMFYSA-N -1 0 332.356 2.332 20 5 EEBDRM Cc1c(Br)c(N2CC[C@@](C)(C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000165667235 300908633 /nfs/dbraw/zinc/90/86/33/300908633.db2.gz RAFAORDVMIWKQQ-GFCCVEGCSA-N -1 0 344.165 2.362 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC(C)(C)CCC(=O)[O-] ZINC000261680201 301428433 /nfs/dbraw/zinc/42/84/33/301428433.db2.gz LMJIXRIHLWIPAP-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM Cn1cnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)n1 ZINC000131842005 303012684 /nfs/dbraw/zinc/01/26/84/303012684.db2.gz GALDRMRSAZUHED-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM CN1C(=O)CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])ccc21 ZINC000179481769 311450628 /nfs/dbraw/zinc/45/06/28/311450628.db2.gz WFAOZCRIKPUKLP-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM O=C([O-])c1cc(N2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000323857817 311599798 /nfs/dbraw/zinc/59/97/98/311599798.db2.gz OBLWSBLOLOHEGO-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000323717301 311600034 /nfs/dbraw/zinc/60/00/34/311600034.db2.gz NFEIDQMYAFJLMS-LBPRGKRZSA-N -1 0 342.373 2.003 20 5 EEBDRM Cc1c(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000326486994 311604002 /nfs/dbraw/zinc/60/40/02/311604002.db2.gz XCWROXQXBUPOLQ-LBPRGKRZSA-N -1 0 335.360 2.300 20 5 EEBDRM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1O ZINC000436839582 315004531 /nfs/dbraw/zinc/00/45/31/315004531.db2.gz ODHYFZBGYGMFBO-UHFFFAOYSA-N -1 0 346.295 2.353 20 5 EEBDRM COc1cc(CCO)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436909472 315011804 /nfs/dbraw/zinc/01/18/04/315011804.db2.gz YWHTZIWZNYTYBI-UHFFFAOYSA-N -1 0 332.312 2.096 20 5 EEBDRM CN1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2C1=O ZINC000436968222 315017914 /nfs/dbraw/zinc/01/79/14/315017914.db2.gz TXEBDVFHFKHOQJ-UHFFFAOYSA-N -1 0 341.323 2.181 20 5 EEBDRM CCOC(=O)c1cnc(C)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436981058 315019420 /nfs/dbraw/zinc/01/94/20/315019420.db2.gz SHQBEGSOZQXPBK-UHFFFAOYSA-N -1 0 345.311 2.433 20 5 EEBDRM O=C(NCCc1ccc2c(c1)OCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000541891454 318115868 /nfs/dbraw/zinc/11/58/68/318115868.db2.gz NQFIQLMPDMOFAD-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000547823039 318325999 /nfs/dbraw/zinc/32/59/99/318325999.db2.gz AUAOXZSCLCKUOX-UHFFFAOYSA-N -1 0 348.286 2.241 20 5 EEBDRM O=C([O-])C1(O)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000563887869 319052450 /nfs/dbraw/zinc/05/24/50/319052450.db2.gz DCPSOZQKJSEHIG-UHFFFAOYSA-N -1 0 334.250 2.030 20 5 EEBDRM COc1ccc2c(c1)CCN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])CC2 ZINC000565039212 319142337 /nfs/dbraw/zinc/14/23/37/319142337.db2.gz ZFZJGKAEXFLGHR-UHFFFAOYSA-N -1 0 343.339 2.302 20 5 EEBDRM Cn1nccc1C1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000565603836 319197531 /nfs/dbraw/zinc/19/75/31/319197531.db2.gz OUMMGCLKSHWOKG-UHFFFAOYSA-N -1 0 330.344 2.411 20 5 EEBDRM Cc1cc(N2CCC(O)(C(F)F)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565836117 319219393 /nfs/dbraw/zinc/21/93/93/319219393.db2.gz MOMQNDISQTVKRH-UHFFFAOYSA-N -1 0 330.287 2.198 20 5 EEBDRM CO[C@](C)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000567273987 319365507 /nfs/dbraw/zinc/36/55/07/319365507.db2.gz HFRLWCICULCZAY-CQSZACIVSA-N -1 0 328.752 2.499 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000574205021 320004881 /nfs/dbraw/zinc/00/48/81/320004881.db2.gz QXWIJMQJZGVHBO-UHFFFAOYSA-N -1 0 349.387 2.134 20 5 EEBDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000577497416 320258939 /nfs/dbraw/zinc/25/89/39/320258939.db2.gz YPNCEIWVJHMZKB-JTQLQIEISA-N -1 0 348.384 2.465 20 5 EEBDRM O=C([O-])c1cc(N2CC[C@H](OCc3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000580078691 323988419 /nfs/dbraw/zinc/98/84/19/323988419.db2.gz AEYZXTVNDCYTKO-AWEZNQCLSA-N -1 0 343.339 2.484 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000580516336 324077269 /nfs/dbraw/zinc/07/72/69/324077269.db2.gz NTDHWORXOSCJBI-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000581009767 324168175 /nfs/dbraw/zinc/16/81/75/324168175.db2.gz WEMUZBCBEIDNOF-SECBINFHSA-N -1 0 344.389 2.314 20 5 EEBDRM C[C@@H]1CCCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000581724149 324310663 /nfs/dbraw/zinc/31/06/63/324310663.db2.gz QIUXGHYOSKOVAK-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000060505485 462553893 /nfs/dbraw/zinc/55/38/93/462553893.db2.gz QFXPBSOQRBLVCG-UHFFFAOYSA-N -1 0 346.286 2.491 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000091021541 462821395 /nfs/dbraw/zinc/82/13/95/462821395.db2.gz HQJFGOJMOUDFJP-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000024593417 463090698 /nfs/dbraw/zinc/09/06/98/463090698.db2.gz WHXMKQXHDGXVHL-UHFFFAOYSA-N -1 0 344.345 2.451 20 5 EEBDRM O=C(NCCCN1CCc2ccccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031254567 463331048 /nfs/dbraw/zinc/33/10/48/463331048.db2.gz ZUOLXPUCJZXSNS-UHFFFAOYSA-N -1 0 341.367 2.483 20 5 EEBDRM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164275538 463620726 /nfs/dbraw/zinc/62/07/26/463620726.db2.gz FDODIGVOICJZHF-UHFFFAOYSA-N -1 0 343.217 2.260 20 5 EEBDRM O=C(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 ZINC000164342329 463621092 /nfs/dbraw/zinc/62/10/92/463621092.db2.gz NWGWUPOCWCVBRN-UHFFFAOYSA-N -1 0 349.730 2.322 20 5 EEBDRM Cc1cccn2cc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)nc12 ZINC000164575006 463626720 /nfs/dbraw/zinc/62/67/20/463626720.db2.gz ORAAVAPOVJVYKD-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000261618640 463803092 /nfs/dbraw/zinc/80/30/92/463803092.db2.gz BORJYUYMQFZYRW-CYBMUJFWSA-N -1 0 347.371 2.132 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261800536 463865607 /nfs/dbraw/zinc/86/56/07/463865607.db2.gz ZZVXQBJWUVHBID-UHFFFAOYSA-N -1 0 337.332 2.368 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCN(c2nccs2)CC1 ZINC000269136348 463886533 /nfs/dbraw/zinc/88/65/33/463886533.db2.gz DIOHMHBAPCCDKZ-UHFFFAOYSA-N -1 0 348.384 2.109 20 5 EEBDRM COc1ccc2c(c1)[nH]nc2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000195002071 463974018 /nfs/dbraw/zinc/97/40/18/463974018.db2.gz IUMXUILEWACRHO-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM COCC[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262326101 464002021 /nfs/dbraw/zinc/00/20/21/464002021.db2.gz TYVJVAQHFPSNFQ-GFCCVEGCSA-N -1 0 338.360 2.112 20 5 EEBDRM COc1cc(C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000263319632 464084077 /nfs/dbraw/zinc/08/40/77/464084077.db2.gz JHGBWGHPIOQIJL-JQWIXIFHSA-N -1 0 336.344 2.237 20 5 EEBDRM CCCC[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263554691 464128853 /nfs/dbraw/zinc/12/88/53/464128853.db2.gz NNCBXBXIRRXTIS-ZETCQYMHSA-N -1 0 336.391 2.115 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236970025 464247673 /nfs/dbraw/zinc/24/76/73/464247673.db2.gz VEJSTGCKINXUPD-IINYFYTJSA-N -1 0 346.343 2.010 20 5 EEBDRM CCC[C@@](C)(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000236982948 464248385 /nfs/dbraw/zinc/24/83/85/464248385.db2.gz LJECWBANSKVLKV-MRXNPFEDSA-N -1 0 346.343 2.154 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1[N+](=O)[O-] ZINC000189306015 464472287 /nfs/dbraw/zinc/47/22/87/464472287.db2.gz SRPYCGPHDBUBCJ-UHFFFAOYSA-N -1 0 347.356 2.284 20 5 EEBDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000183888773 464923722 /nfs/dbraw/zinc/92/37/22/464923722.db2.gz DMMUHYWKRREKJC-UHFFFAOYSA-N -1 0 335.341 2.302 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)CCCCO)cc1C ZINC000295744535 464949510 /nfs/dbraw/zinc/94/95/10/464949510.db2.gz NRUIOOHCTSHTJZ-GFCCVEGCSA-N -1 0 330.406 2.041 20 5 EEBDRM COC(=O)c1cc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc([N+](=O)[O-])c1 ZINC000593920170 468434776 /nfs/dbraw/zinc/43/47/76/468434776.db2.gz IBZBJKBTQPMNIE-INIZCTEOSA-N -1 0 348.311 2.131 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC2 ZINC000356780606 465536186 /nfs/dbraw/zinc/53/61/86/465536186.db2.gz SDYOVXPLQKOVSP-ZDUSSCGKSA-N -1 0 344.371 2.365 20 5 EEBDRM COc1ccc(CNC(=O)CC2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000340152874 465822888 /nfs/dbraw/zinc/82/28/88/465822888.db2.gz OYCDAMIDZPWKOU-UHFFFAOYSA-N -1 0 336.344 2.255 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)[nH]c21 ZINC000357334588 465956474 /nfs/dbraw/zinc/95/64/74/465956474.db2.gz ZKYVOJFGKLYFOR-UHFFFAOYSA-N -1 0 348.340 2.286 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000353960480 466284275 /nfs/dbraw/zinc/28/42/75/466284275.db2.gz OXRRWKHGJIGSMQ-VXGBXAGGSA-N -1 0 335.360 2.014 20 5 EEBDRM Cc1cn2c(n1)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])CCC2 ZINC000367526025 466392093 /nfs/dbraw/zinc/39/20/93/466392093.db2.gz FRWVNCNHVOPRQJ-NSHDSACASA-N -1 0 330.344 2.113 20 5 EEBDRM O=C([O-])C[C@@H]1CSCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000320638688 466611475 /nfs/dbraw/zinc/61/14/75/466611475.db2.gz HQRJSZLEQGHKMJ-BTDICHCPSA-N -1 0 336.369 2.027 20 5 EEBDRM C[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C(=O)[O-] ZINC000424256546 467013971 /nfs/dbraw/zinc/01/39/71/467013971.db2.gz AOMIRXBQALOBCJ-HZMBPMFUSA-N -1 0 346.343 2.330 20 5 EEBDRM O=C([O-])CCC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000392892089 467428575 /nfs/dbraw/zinc/42/85/75/467428575.db2.gz NWXUGUUPWJAWIH-UHFFFAOYSA-N -1 0 346.343 2.325 20 5 EEBDRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493273128 467876636 /nfs/dbraw/zinc/87/66/36/467876636.db2.gz WWXQKYOMRFHZFR-LFAOLKIESA-N -1 0 348.355 2.090 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)n1 ZINC000516070501 468011967 /nfs/dbraw/zinc/01/19/67/468011967.db2.gz HNIIELXXRUSXSV-OCCSQVGLSA-N -1 0 335.360 2.004 20 5 EEBDRM CCOC(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000494160954 468034059 /nfs/dbraw/zinc/03/40/59/468034059.db2.gz WYXYITTUEUZUQR-SNVBAGLBSA-N -1 0 337.332 2.107 20 5 EEBDRM COC(=O)c1csc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000518065578 468105705 /nfs/dbraw/zinc/10/57/05/468105705.db2.gz RZMBQAZHYBBKOJ-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM CCC[C@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(=O)[O-] ZINC000570208055 468603854 /nfs/dbraw/zinc/60/38/54/468603854.db2.gz XYJSDPRBJUWVDD-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000592132496 468633416 /nfs/dbraw/zinc/63/34/16/468633416.db2.gz HLAMPIUDQXBPFC-MRVPVSSYSA-N -1 0 330.362 2.068 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592215545 468657113 /nfs/dbraw/zinc/65/71/13/468657113.db2.gz PPYBZTUTFZZDMS-QWHCGFSZSA-N -1 0 335.360 2.032 20 5 EEBDRM CSC[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877130 468673502 /nfs/dbraw/zinc/67/35/02/468673502.db2.gz RTDXTTZJMHMKAS-YMTOWFKASA-N -1 0 326.374 2.010 20 5 EEBDRM C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC000571204295 468755160 /nfs/dbraw/zinc/75/51/60/468755160.db2.gz SJDYIEJJADXMHN-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592800995 468790064 /nfs/dbraw/zinc/79/00/64/468790064.db2.gz FPKHJQUUDHIRSN-SCZZXKLOSA-N -1 0 342.735 2.025 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](CO)Cc2ccc(F)cc2)n1 ZINC000592976715 468832031 /nfs/dbraw/zinc/83/20/31/468832031.db2.gz MXCULBOYQTXMDK-GFCCVEGCSA-N -1 0 349.318 2.151 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3cccc(F)c3)C2)n1 ZINC000592977029 468833031 /nfs/dbraw/zinc/83/30/31/468833031.db2.gz VOYMLZXKKFDVMG-GFCCVEGCSA-N -1 0 347.302 2.485 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCOC(C2CC2)(C2CC2)C1 ZINC000598364934 468842558 /nfs/dbraw/zinc/84/25/58/468842558.db2.gz SITMGXWNYBBQLW-UHFFFAOYSA-N -1 0 332.356 2.332 20 5 EEBDRM COCCCOCCN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000584783112 468936268 /nfs/dbraw/zinc/93/62/68/468936268.db2.gz OBGCQXSJHZGGBS-UHFFFAOYSA-N -1 0 326.349 2.091 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)nnc1C ZINC000598733398 468978074 /nfs/dbraw/zinc/97/80/74/468978074.db2.gz CFWUBNWOPKGMDU-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000593696722 469100027 /nfs/dbraw/zinc/10/00/27/469100027.db2.gz DAERHVPEACHNKS-NSHDSACASA-N -1 0 338.360 2.470 20 5 EEBDRM CC(C)(C)C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000613894842 469812279 /nfs/dbraw/zinc/81/22/79/469812279.db2.gz YUYPHFDRYZBLTQ-UHFFFAOYSA-N -1 0 349.387 2.067 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000618448146 469991313 /nfs/dbraw/zinc/99/13/13/469991313.db2.gz WRAGLPWGEAILME-UHFFFAOYSA-N -1 0 340.295 2.499 20 5 EEBDRM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184352403 528528122 /nfs/dbraw/zinc/52/81/22/528528122.db2.gz JWNSUJDEBGZIPL-GFCCVEGCSA-N -1 0 349.387 2.069 20 5 EEBDRM CSc1ccc(C(=O)NCCSCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000738200146 578003459 /nfs/dbraw/zinc/00/34/59/578003459.db2.gz UMJGIEDOKNMPRC-UHFFFAOYSA-N -1 0 344.414 2.254 20 5 EEBDRM COc1ccc(C(=O)Oc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000737948002 576164310 /nfs/dbraw/zinc/16/43/10/576164310.db2.gz ONACGMLGPXFQDR-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM O=C([O-])CCCOC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000738581779 576611189 /nfs/dbraw/zinc/61/11/89/576611189.db2.gz YNHWEMPNJMBVFH-UHFFFAOYSA-N -1 0 332.106 2.379 20 5 EEBDRM CSC[C@@H](CCO)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000738188040 576719649 /nfs/dbraw/zinc/71/96/49/576719649.db2.gz VMGWNCZVAOEFHQ-USEMIUTHSA-N -1 0 326.374 2.219 20 5 EEBDRM O=C([O-])c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738688869 577104736 /nfs/dbraw/zinc/10/47/36/577104736.db2.gz NIHIUYVDVVYHDB-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000732909229 577197044 /nfs/dbraw/zinc/19/70/44/577197044.db2.gz XFZVCADRDQQUNQ-SNVBAGLBSA-N -1 0 344.389 2.099 20 5 EEBDRM COC(=O)CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000773069780 577314025 /nfs/dbraw/zinc/31/40/25/577314025.db2.gz DAUJNSGZTCPREG-UHFFFAOYSA-N -1 0 330.296 2.120 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000774280982 577393114 /nfs/dbraw/zinc/39/31/14/577393114.db2.gz ILPMLWSWMABIKV-LBPRGKRZSA-N -1 0 340.401 2.162 20 5 EEBDRM Cc1oc(CN(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000776631589 577464943 /nfs/dbraw/zinc/46/49/43/577464943.db2.gz LZQXADXTPGFRSB-UHFFFAOYSA-N -1 0 333.300 2.049 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000758412445 577624324 /nfs/dbraw/zinc/62/43/24/577624324.db2.gz LGOPGFTZXAXHTQ-UHFFFAOYSA-N -1 0 348.793 2.494 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000744152482 577893634 /nfs/dbraw/zinc/89/36/34/577893634.db2.gz QCUKHDLOXFGYDV-JTQLQIEISA-N -1 0 338.341 2.105 20 5 EEBDRM O=C([O-])CN(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000738606070 578020967 /nfs/dbraw/zinc/02/09/67/578020967.db2.gz BGKXKXLWKUXLGZ-UHFFFAOYSA-N -1 0 342.351 2.293 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cc(F)ccc1F ZINC000739370987 578050726 /nfs/dbraw/zinc/05/07/26/578050726.db2.gz ZAUAICIONCKJJD-NSHDSACASA-N -1 0 326.211 2.022 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000739814328 578068724 /nfs/dbraw/zinc/06/87/24/578068724.db2.gz WBEOTWGYECGXPQ-UHFFFAOYSA-N -1 0 335.341 2.083 20 5 EEBDRM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)[N-]OCc1ccccc1 ZINC000735846529 578169893 /nfs/dbraw/zinc/16/98/93/578169893.db2.gz IKHCIQWYUZGCKJ-CYBMUJFWSA-N -1 0 347.375 2.075 20 5 EEBDRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000736374945 578199497 /nfs/dbraw/zinc/19/94/97/578199497.db2.gz MJOUTGUNLDGLDZ-CYBMUJFWSA-N -1 0 347.331 2.216 20 5 EEBDRM C[C@@H](CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000736561322 578211368 /nfs/dbraw/zinc/21/13/68/578211368.db2.gz BNGWMSWUHBWLLC-JTQLQIEISA-N -1 0 338.385 2.399 20 5 EEBDRM CCc1nc(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cs1 ZINC000736704503 578219036 /nfs/dbraw/zinc/21/90/36/578219036.db2.gz PVLVRCPBNKDDIE-UHFFFAOYSA-N -1 0 331.361 2.406 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737210512 578243757 /nfs/dbraw/zinc/24/37/57/578243757.db2.gz KLUXYFIRFYRTGI-ZDUSSCGKSA-N -1 0 340.332 2.329 20 5 EEBDRM CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000737319064 578250144 /nfs/dbraw/zinc/25/01/44/578250144.db2.gz GIKZBJOVONLKFY-UHFFFAOYSA-N -1 0 344.751 2.339 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000819385505 597052221 /nfs/dbraw/zinc/05/22/21/597052221.db2.gz VPJZWMMBNIZFNQ-LLVKDONJSA-N -1 0 349.343 2.243 20 5 EEBDRM O=C([O-])CSCC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000821536412 597720156 /nfs/dbraw/zinc/72/01/56/597720156.db2.gz FMOAMLRWCKIBII-UHFFFAOYSA-N -1 0 338.263 2.370 20 5 EEBDRM O=C([O-])c1cccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000821550424 598149190 /nfs/dbraw/zinc/14/91/90/598149190.db2.gz DZKWKFVCNQMJGR-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM CC[C@]1(C)CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829043909 600825712 /nfs/dbraw/zinc/82/57/12/600825712.db2.gz HYNTXQZGTGYPQB-QGZVFWFLSA-N -1 0 349.387 2.426 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000833175947 601380183 /nfs/dbraw/zinc/38/01/83/601380183.db2.gz NNDQNQFTINGOPJ-NSHDSACASA-N -1 0 333.113 2.360 20 5 EEBDRM O=C([O-])C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000091294947 601382038 /nfs/dbraw/zinc/38/20/38/601382038.db2.gz ZRPQKHGEMYQWFV-SECBINFHSA-N -1 0 345.149 2.037 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000833090109 602014219 /nfs/dbraw/zinc/01/42/19/602014219.db2.gz BQSGAGXACDGZQT-CYBMUJFWSA-N -1 0 334.259 2.299 20 5 EEBDRM C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827406512 602086038 /nfs/dbraw/zinc/08/60/38/602086038.db2.gz WNWDPEJZZQVCEA-ZANVPECISA-N -1 0 348.311 2.128 20 5 EEBDRM Cc1cc(N2CCC[C@H](CCC(N)=O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891426 602315972 /nfs/dbraw/zinc/31/59/72/602315972.db2.gz RAZCOESXANWCEH-LLVKDONJSA-N -1 0 335.360 2.083 20 5 EEBDRM CCC(=O)N1CC[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000828562259 602326080 /nfs/dbraw/zinc/32/60/80/602326080.db2.gz MVPONFCVZXOVNJ-TXNVCOODSA-N -1 0 333.344 2.115 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCc3cncnc3C2)cc1Cl ZINC000833307676 604264467 /nfs/dbraw/zinc/26/44/67/604264467.db2.gz PZAQQWIUPGLGSQ-UHFFFAOYSA-N -1 0 334.719 2.299 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])n1 ZINC000832957861 604268007 /nfs/dbraw/zinc/26/80/07/604268007.db2.gz OJASWKCBNNUFRT-LBPRGKRZSA-N -1 0 331.328 2.359 20 5 EEBDRM CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC000833686975 605461096 /nfs/dbraw/zinc/46/10/96/605461096.db2.gz XHASXRJRKSPTBA-UHFFFAOYSA-N -1 0 330.296 2.335 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)on1 ZINC000833778215 605875817 /nfs/dbraw/zinc/87/58/17/605875817.db2.gz WALALYMQRUANKE-UHFFFAOYSA-N -1 0 333.300 2.034 20 5 EEBDRM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2nn[nH]n2)cs1 ZINC000823337483 606484719 /nfs/dbraw/zinc/48/47/19/606484719.db2.gz MKMFUDBMEYQGDD-UHFFFAOYSA-N -1 0 334.292 2.228 20 5 EEBDRM C[C@H](O)c1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000178615018 678511534 /nfs/dbraw/zinc/51/15/34/678511534.db2.gz ISCQHJGRSPXDMM-NSHDSACASA-N -1 0 336.369 2.127 20 5 EEBDRM CCC[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262360828 685651052 /nfs/dbraw/zinc/65/10/52/685651052.db2.gz IVFJKQPSEWBUBB-SNVBAGLBSA-N -1 0 344.751 2.387 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)o1 ZINC000120626694 1198274837 /nfs/dbraw/zinc/27/48/37/1198274837.db2.gz HWTTZTKTVLQPQF-UHFFFAOYSA-N -1 0 342.304 2.062 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)ccc1[N+](=O)[O-] ZINC000124675690 1198704713 /nfs/dbraw/zinc/70/47/13/1198704713.db2.gz ZFTZAZQKHXVXTO-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000135400596 1202349771 /nfs/dbraw/zinc/34/97/71/1202349771.db2.gz WBDDACNLVSVRDQ-UHFFFAOYSA-N -1 0 330.753 2.389 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c2c(c1=O)CC1(CC2)OCCO1 ZINC000887287438 1204255261 /nfs/dbraw/zinc/25/52/61/1204255261.db2.gz ZULGOFIYOZXTMS-LLVKDONJSA-N -1 0 331.328 2.149 20 5 EEBDRM O=C(C[C@@H]1C=CCCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000778638586 1208311517 /nfs/dbraw/zinc/31/15/17/1208311517.db2.gz CIRMKDPEVYWNPK-SECBINFHSA-N -1 0 330.387 2.208 20 5 EEBDRM CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779674661 1210751084 /nfs/dbraw/zinc/75/10/84/1210751084.db2.gz JEFRCFWQFKMCBH-UHFFFAOYSA-N -1 0 337.332 2.298 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000802868224 1238483182 /nfs/dbraw/zinc/48/31/82/1238483182.db2.gz GIXVAONZGJGLLA-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000802868579 1238483256 /nfs/dbraw/zinc/48/32/56/1238483256.db2.gz VHOVBQPFONVYBG-UHFFFAOYSA-N -1 0 326.355 2.083 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC2(CC2)C1 ZINC000850731227 1277318989 /nfs/dbraw/zinc/31/89/89/1277318989.db2.gz MYRLOALLHZAEFE-UHFFFAOYSA-N -1 0 344.776 2.243 20 5 EEBDRM CC(C)[C@@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886472 1277380541 /nfs/dbraw/zinc/38/05/41/1277380541.db2.gz WTWQCMIUBWHMSP-IINYFYTJSA-N -1 0 344.364 2.221 20 5 EEBDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)CC(F)F)cc1[N+](=O)[O-] ZINC000851362507 1277568670 /nfs/dbraw/zinc/56/86/70/1277568670.db2.gz DDGCEOXSEIITQH-UHFFFAOYSA-N -1 0 336.316 2.043 20 5 EEBDRM Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1[N+](=O)[O-] ZINC001210953312 1295596673 /nfs/dbraw/zinc/59/66/73/1295596673.db2.gz GYDOOJJBXUDCTG-UHFFFAOYSA-N -1 0 329.284 2.256 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000794607243 1296471158 /nfs/dbraw/zinc/47/11/58/1296471158.db2.gz IEULSEIBZKQWIW-UHFFFAOYSA-N -1 0 338.316 2.470 20 5 EEBDRM Nc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC001216484767 1297189734 /nfs/dbraw/zinc/18/97/34/1297189734.db2.gz OAHPGHXJWKRVLE-UHFFFAOYSA-N -1 0 329.284 2.256 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CC[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001226021145 1301236077 /nfs/dbraw/zinc/23/60/77/1301236077.db2.gz OBIZFSVNSDTVNA-LPEHRKFASA-N -1 0 339.348 2.471 20 5 EEBDRM CCC[C@@H](C)[C@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226650089 1301493543 /nfs/dbraw/zinc/49/35/43/1301493543.db2.gz PFLQCJREBFCVOP-BDAKNGLRSA-N -1 0 327.337 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CC[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001226651804 1301494549 /nfs/dbraw/zinc/49/45/49/1301494549.db2.gz IYOSLBXHZAZCCW-DJLDLDEBSA-N -1 0 325.321 2.081 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(OC2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC001226650658 1301495199 /nfs/dbraw/zinc/49/51/99/1301495199.db2.gz AMYSEAIFLRNTTG-HTQZYQBOSA-N -1 0 325.321 2.081 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2C[C@@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC001226653797 1301495704 /nfs/dbraw/zinc/49/57/04/1301495704.db2.gz ZOUSVTDWISDMFJ-DJLDLDEBSA-N -1 0 325.321 2.081 20 5 EEBDRM COC[C@@H](C)OC[C@H](C)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095388 1301685372 /nfs/dbraw/zinc/68/53/72/1301685372.db2.gz HMJGJPFOMCKNEC-ZJUUUORDSA-N -1 0 337.332 2.062 20 5 EEBDRM Cc1ccc2nc(=O)[n-]c(O[C@H](C[N+](=O)[O-])c3cccnc3)c2c1 ZINC001227351309 1301792023 /nfs/dbraw/zinc/79/20/23/1301792023.db2.gz QAZFERMHEWSYSF-CQSZACIVSA-N -1 0 326.312 2.436 20 5 EEBDRM CCOC(=O)[C@H](CC(C)C)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228603480 1302332718 /nfs/dbraw/zinc/33/27/18/1302332718.db2.gz KLPPWYMXJKBOTD-JTQLQIEISA-N -1 0 339.348 2.324 20 5 EEBDRM O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cccc3oc(=S)[n-]c31)C2 ZINC001231065959 1303609011 /nfs/dbraw/zinc/60/90/11/1303609011.db2.gz RXSKNVMLUATRGT-ZETCQYMHSA-N -1 0 334.313 2.061 20 5 EEBDRM CCCCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000796696950 1304568332 /nfs/dbraw/zinc/56/83/32/1304568332.db2.gz MPKZOUHLPUWOJT-UHFFFAOYSA-N -1 0 328.390 2.119 20 5 EEBDRM CC(C)c1nnc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]1 ZINC001118214096 1306316390 /nfs/dbraw/zinc/31/63/90/1306316390.db2.gz XMQHCWHLMNYSNV-UHFFFAOYSA-N -1 0 325.712 2.448 20 5 EEBDRM CN(C)c1ccc(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001118285399 1306333423 /nfs/dbraw/zinc/33/34/23/1306333423.db2.gz USDNPHWLNURQNV-UHFFFAOYSA-N -1 0 330.344 2.409 20 5 EEBDRM O=C([O-])C1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCCCC1 ZINC001248093814 1310833878 /nfs/dbraw/zinc/83/38/78/1310833878.db2.gz WPJVAQIZQBGDPN-UHFFFAOYSA-N -1 0 336.279 2.465 20 5 EEBDRM CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000835026952 1314893959 /nfs/dbraw/zinc/89/39/59/1314893959.db2.gz ABPAZBDBVMHOBG-NSHDSACASA-N -1 0 328.390 2.472 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C1CC2(CCC2)C1 ZINC000842716479 1315760473 /nfs/dbraw/zinc/76/04/73/1315760473.db2.gz VCWODDPUKRXSPX-UHFFFAOYSA-N -1 0 330.387 2.042 20 5 EEBDRM Nc1nc(CCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cs1 ZINC001601220880 1350235159 /nfs/dbraw/zinc/23/51/59/1350235159.db2.gz YTAVBSMSPFXKTO-DUXPYHPUSA-N -1 0 334.357 2.386 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001601227268 1350236390 /nfs/dbraw/zinc/23/63/90/1350236390.db2.gz NZTHDQDZGDUYLM-GDLHICMESA-N -1 0 330.340 2.164 20 5 EEBDRM O=C([O-])c1ncoc1CCC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001602583628 1350551172 /nfs/dbraw/zinc/55/11/72/1350551172.db2.gz RUEDJWIICYQTBE-UHFFFAOYSA-N -1 0 345.311 2.193 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001608594497 1351722184 /nfs/dbraw/zinc/72/21/84/1351722184.db2.gz HBZRJNROLLILSM-VMMWWAARSA-N -1 0 344.367 2.410 20 5 EEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001608600222 1351723791 /nfs/dbraw/zinc/72/37/91/1351723791.db2.gz XKQHEEMRCWWTJY-FTGAXOIBSA-N -1 0 343.339 2.401 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC001608667780 1351737870 /nfs/dbraw/zinc/73/78/70/1351737870.db2.gz UFHYGAKGOFPMIW-JTQLQIEISA-N -1 0 326.736 2.479 20 5 EEBDRM O=C([O-])[C@@H]1[C@H](CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1(F)F ZINC001608816160 1351770342 /nfs/dbraw/zinc/77/03/42/1351770342.db2.gz XBHOBTBIVYWPSA-KWQFWETISA-N -1 0 341.245 2.082 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2CCc3nccnc3C2)ccc1[N+](=O)[O-] ZINC001608830086 1351773571 /nfs/dbraw/zinc/77/35/71/1351773571.db2.gz AAONYBAIQSKOSX-UHFFFAOYSA-N -1 0 334.719 2.299 20 5 EEBDRM O=C([O-])c1nn(CCOc2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC001609004222 1351812445 /nfs/dbraw/zinc/81/24/45/1351812445.db2.gz XLJDNMXEZXTESM-UHFFFAOYSA-N -1 0 329.671 2.361 20 5 EEBDRM O=[N+]([O-])c1sccc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC001320948211 1332985254 /nfs/dbraw/zinc/98/52/54/1332985254.db2.gz CRVMSYWEDPGWCJ-UHFFFAOYSA-N -1 0 336.354 2.400 20 5 EEBDRM Cc1nc([C@@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC001326344599 1334072763 /nfs/dbraw/zinc/07/27/63/1334072763.db2.gz WATPMPRRBUUPRJ-RXMQYKEDSA-N -1 0 326.696 2.136 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001609729247 1352070743 /nfs/dbraw/zinc/07/07/43/1352070743.db2.gz PCUXACFAVMVIFK-MRXNPFEDSA-N -1 0 329.312 2.110 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001609729321 1352070824 /nfs/dbraw/zinc/07/08/24/1352070824.db2.gz QXJOZSKKYNCSON-QGZVFWFLSA-N -1 0 343.339 2.039 20 5 EEBDRM CN(CCC(F)(F)F)c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C ZINC001339927143 1337097946 /nfs/dbraw/zinc/09/79/46/1337097946.db2.gz TWFFIVRLYDWNCB-UHFFFAOYSA-N -1 0 345.281 2.485 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001609910282 1352117613 /nfs/dbraw/zinc/11/76/13/1352117613.db2.gz NRUVKCMUFQTHQG-UHFFFAOYSA-N -1 0 341.291 2.351 20 5 EEBDRM COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610169325 1352178003 /nfs/dbraw/zinc/17/80/03/1352178003.db2.gz VSIFPNRSMMOSMG-IINYFYTJSA-N -1 0 336.344 2.067 20 5 EEBDRM CC1(C)C[C@@](C)(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(=O)O1 ZINC000848145047 1338531243 /nfs/dbraw/zinc/53/12/43/1338531243.db2.gz HPOMEAOQCYXSGR-CQSZACIVSA-N -1 0 342.735 2.168 20 5 EEBDRM CS[C@@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001610381755 1352213540 /nfs/dbraw/zinc/21/35/40/1352213540.db2.gz DPDKYIUMLCWVOG-MRVPVSSYSA-N -1 0 327.318 2.143 20 5 EEBDRM Cc1[nH]c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC001610400400 1352216705 /nfs/dbraw/zinc/21/67/05/1352216705.db2.gz XPBOCFLJDYHJJH-UHFFFAOYSA-N -1 0 346.343 2.080 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCCCCC(=O)[O-] ZINC001610480157 1352229749 /nfs/dbraw/zinc/22/97/49/1352229749.db2.gz RIXOFVAPSVONNT-UHFFFAOYSA-N -1 0 331.346 2.257 20 5 EEBDRM Cc1cccc(C[C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)C(=O)[O-])c1 ZINC001610521677 1352238074 /nfs/dbraw/zinc/23/80/74/1352238074.db2.gz RAZZNBSZFPQYPB-ZDUSSCGKSA-N -1 0 330.344 2.357 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC001610685524 1352260007 /nfs/dbraw/zinc/26/00/07/1352260007.db2.gz FQKAWJZFFCSLGJ-JTQLQIEISA-N -1 0 338.316 2.394 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001610808764 1352278591 /nfs/dbraw/zinc/27/85/91/1352278591.db2.gz MKGMDAFVHXSFJZ-UHFFFAOYSA-N -1 0 342.307 2.470 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CN(c3ccc(F)cc3)C2=O)c1 ZINC001610841353 1352283563 /nfs/dbraw/zinc/28/35/63/1352283563.db2.gz AJJMZBKZAYLZOL-CYBMUJFWSA-N -1 0 345.286 2.259 20 5 EEBDRM Cc1c(NC(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600037489 1349959747 /nfs/dbraw/zinc/95/97/47/1349959747.db2.gz OJRDFCPZDWYBCO-RKDXNWHRSA-N -1 0 349.343 2.290 20 5 EEBDRM Cc1cc(C(=O)NC(C)(C)c2nocc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600086788 1349968649 /nfs/dbraw/zinc/96/86/49/1349968649.db2.gz PITHNYUZGMMXLM-UHFFFAOYSA-N -1 0 333.300 2.255 20 5 EEBDRM Cc1cc(CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)no1 ZINC001600200319 1349991474 /nfs/dbraw/zinc/99/14/74/1349991474.db2.gz MZUYDKMNQXDYEP-UHFFFAOYSA-N -1 0 334.288 2.220 20 5 EEBDRM Cc1cc(Cl)cc(C(=O)[O-])c1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001600217826 1349995205 /nfs/dbraw/zinc/99/52/05/1349995205.db2.gz VTJOAMUNRJGDNT-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(F)F)C(=O)[O-])cc1Cl ZINC001600302339 1350015023 /nfs/dbraw/zinc/01/50/23/1350015023.db2.gz KKCQSQXEZYBMPF-MRVPVSSYSA-N -1 0 336.678 2.395 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OC[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001600305158 1350016084 /nfs/dbraw/zinc/01/60/84/1350016084.db2.gz OBJNFRQOLOXFEF-AWEZNQCLSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC001600487754 1350063425 /nfs/dbraw/zinc/06/34/25/1350063425.db2.gz QXRMFSLNVROMOX-CQSZACIVSA-N -1 0 330.296 2.165 20 5 EEBDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC001600515137 1350071099 /nfs/dbraw/zinc/07/10/99/1350071099.db2.gz FLLUOZOZBYMPPQ-CQSZACIVSA-N -1 0 329.312 2.244 20 5 EEBDRM Cc1oc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C(=O)[O-] ZINC001600852022 1350152217 /nfs/dbraw/zinc/15/22/17/1350152217.db2.gz DAAHIFHWNCVUEU-UHFFFAOYSA-N -1 0 330.300 2.361 20 5 EEBDRM Cn1c(COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)nnc1C1CCC1 ZINC001600918895 1350168573 /nfs/dbraw/zinc/16/85/73/1350168573.db2.gz VZBMAGDJQWWJPU-UHFFFAOYSA-N -1 0 332.316 2.268 20 5 EEBDRM NC(=O)c1ccc(CCOc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001601166056 1350223699 /nfs/dbraw/zinc/22/36/99/1350223699.db2.gz YNVCWTNYQFFJCR-UHFFFAOYSA-N -1 0 330.296 2.013 20 5 EEBDRM Nc1ccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001601216746 1350233913 /nfs/dbraw/zinc/23/39/13/1350233913.db2.gz OZDXTHWGJQWDRT-QLJPJBMISA-N -1 0 348.359 2.286 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H](OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001601390979 1350272231 /nfs/dbraw/zinc/27/22/31/1350272231.db2.gz GBZFWRPQJZVKNN-ZWNOBZJWSA-N -1 0 347.327 2.131 20 5 EEBDRM O=C([O-])C1CCC(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001601795085 1350365503 /nfs/dbraw/zinc/36/55/03/1350365503.db2.gz CDZMEMZPKSJVQT-UHFFFAOYSA-N -1 0 347.320 2.086 20 5 EEBDRM O=C([O-])Cc1ccccc1COC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001602147235 1350451202 /nfs/dbraw/zinc/45/12/02/1350451202.db2.gz ALSLLVIAXIBQNF-UHFFFAOYSA-N -1 0 345.307 2.344 20 5 EEBDRM O=C([O-])Cn1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC001602165972 1350456140 /nfs/dbraw/zinc/45/61/40/1350456140.db2.gz QGHSXHABJWIKOP-UHFFFAOYSA-N -1 0 339.695 2.173 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCCC23CCOCC3)cc([N+](=O)[O-])c1 ZINC001602246640 1350475562 /nfs/dbraw/zinc/47/55/62/1350475562.db2.gz KOUQENPXUXIDIV-CQSZACIVSA-N -1 0 348.355 2.372 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2cc3cnccc3o2)cc([N+](=O)[O-])c1 ZINC001602246890 1350475637 /nfs/dbraw/zinc/47/56/37/1350475637.db2.gz AMWRISRSLYPACY-UHFFFAOYSA-N -1 0 341.279 2.364 20 5 EEBDRM O=C([O-])c1cc(C(=O)NOCc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC001602247598 1350476032 /nfs/dbraw/zinc/47/60/32/1350476032.db2.gz ZFVLWWPGWATOCE-UHFFFAOYSA-N -1 0 334.259 2.294 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001602299390 1350488232 /nfs/dbraw/zinc/48/82/32/1350488232.db2.gz VFLFQWXVSOUZCZ-AAADPQRBSA-N -1 0 344.751 2.023 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1cccc(F)c1 ZINC001602300553 1350488340 /nfs/dbraw/zinc/48/83/40/1350488340.db2.gz MGAFWCWITINWQM-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1cccc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC001602439740 1350520051 /nfs/dbraw/zinc/52/00/51/1350520051.db2.gz VCKGPKAJCPLNPJ-UHFFFAOYSA-N -1 0 345.263 2.379 20 5 EEBDRM CC(C)[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001603730539 1350752699 /nfs/dbraw/zinc/75/26/99/1350752699.db2.gz KSMMUYGKYOEFOQ-CYBMUJFWSA-N -1 0 328.752 2.406 20 5 EEBDRM CC(C)C[C@H](NC(=O)CSc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001603783114 1350767056 /nfs/dbraw/zinc/76/70/56/1350767056.db2.gz PEBIZUBRMCVZDT-LBPRGKRZSA-N -1 0 326.374 2.302 20 5 EEBDRM C[C@](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)(C(=O)[O-])C1CC1 ZINC001604307534 1350912341 /nfs/dbraw/zinc/91/23/41/1350912341.db2.gz ILOMKCBQZWMLFM-QGZVFWFLSA-N -1 0 343.339 2.313 20 5 EEBDRM C[C@H](c1ccccc1)[C@H](O)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604467465 1350943931 /nfs/dbraw/zinc/94/39/31/1350943931.db2.gz DLMNGBWXPYDARD-ZWNOBZJWSA-N -1 0 331.328 2.265 20 5 EEBDRM CCC[C@H](CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OCC ZINC001605213723 1351105179 /nfs/dbraw/zinc/10/51/79/1351105179.db2.gz DIRAJVNWOUKKDL-SNVBAGLBSA-N -1 0 339.348 2.388 20 5 EEBDRM CCCN(CC(C)C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001605311524 1351133573 /nfs/dbraw/zinc/13/35/73/1351133573.db2.gz TZEVZLUKBIJRPL-UHFFFAOYSA-N -1 0 344.389 2.350 20 5 EEBDRM CCOC(=O)C1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCCC1 ZINC001605519426 1351177896 /nfs/dbraw/zinc/17/78/96/1351177896.db2.gz HGAGACWWFJUBQV-UHFFFAOYSA-N -1 0 337.332 2.223 20 5 EEBDRM CCOC(=O)C1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001605527790 1351180551 /nfs/dbraw/zinc/18/05/51/1351180551.db2.gz YSHFNAYLIYUELR-UHFFFAOYSA-N -1 0 336.344 2.068 20 5 EEBDRM Cc1ccccc1[C@H](O)CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001605935372 1351256536 /nfs/dbraw/zinc/25/65/36/1351256536.db2.gz QFLNVLZYVDCMAI-OAHLLOKOSA-N -1 0 340.343 2.229 20 5 EEBDRM CN(C)C(=O)c1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001606006311 1351262354 /nfs/dbraw/zinc/26/23/54/1351262354.db2.gz WPLVHBDVRSYTAZ-UHFFFAOYSA-N -1 0 344.327 2.002 20 5 EEBDRM COC[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC001606817989 1351360267 /nfs/dbraw/zinc/36/02/67/1351360267.db2.gz IDDBQYKQOHNJKC-KSLFURFDSA-N -1 0 336.344 2.299 20 5 EEBDRM Cc1[nH]nc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)c1[N+](=O)[O-] ZINC001607499711 1351506366 /nfs/dbraw/zinc/50/63/66/1351506366.db2.gz BEEGQSJVKLKBFL-UHFFFAOYSA-N -1 0 344.327 2.308 20 5 EEBDRM Cc1cc(OCC(=O)Nc2ncc(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC001607701819 1351542405 /nfs/dbraw/zinc/54/24/05/1351542405.db2.gz ZSIVZQLRFQMYCO-UHFFFAOYSA-N -1 0 337.313 2.075 20 5 EEBDRM NC(=O)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001608231516 1351653497 /nfs/dbraw/zinc/65/34/97/1351653497.db2.gz SCSBZXVYRRMSMB-QMMMGPOBSA-N -1 0 341.751 2.038 20 5 EEBDRM Nc1c(C(=O)NCC2(CC(=O)[O-])CCCC2)cc(F)cc1[N+](=O)[O-] ZINC001608266711 1351658549 /nfs/dbraw/zinc/65/85/49/1351658549.db2.gz CZVZBZVUEFOONS-UHFFFAOYSA-N -1 0 339.323 2.081 20 5 EEBDRM Nc1c(C(=O)N[C@H](CC2CC2)C(=O)[O-])cc2ccccc2c1[N+](=O)[O-] ZINC001608267012 1351659276 /nfs/dbraw/zinc/65/92/76/1351659276.db2.gz QNESRCMZCVMVTP-CYBMUJFWSA-N -1 0 343.339 2.313 20 5 EEBDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000798898244 1371619638 /nfs/dbraw/zinc/61/96/38/1371619638.db2.gz FPFBALHWYJZCOD-UHFFFAOYSA-N -1 0 348.380 2.092 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CC=CCC1 ZINC000835076586 1372588478 /nfs/dbraw/zinc/58/84/78/1372588478.db2.gz BYWCROMLFJMYHA-HNNXBMFYSA-N -1 0 338.385 2.455 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-])ccc1Cl ZINC000847858245 1373036074 /nfs/dbraw/zinc/03/60/74/1373036074.db2.gz LIRDYUXEIWTRNG-UHFFFAOYSA-N -1 0 348.808 2.289 20 5 EEBDRM COc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cc1[O-])CCO2 ZINC000436982420 1409861423 /nfs/dbraw/zinc/86/14/23/1409861423.db2.gz UHZCQFZWTYGKNF-UHFFFAOYSA-N -1 0 330.296 2.348 20 5 EEBDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000785079714 759932332 /nfs/dbraw/zinc/93/23/32/759932332.db2.gz XAPILMYBOXRKBK-UWVGGRQHSA-N -1 0 346.430 2.320 20 5 EEBDRM CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000918479319 769135960 /nfs/dbraw/zinc/13/59/60/769135960.db2.gz LVCVEPJKJGLBDF-JTQLQIEISA-N -1 0 346.430 2.322 20 5 EEBDRM O=C(/C=C\c1ccsc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000915818016 796454224 /nfs/dbraw/zinc/45/42/24/796454224.db2.gz HZLMWXDPPGNXQB-WAYWQWQTSA-N -1 0 338.366 2.175 20 5 EEBDRM Cc1cc(C)c(C(N)=O)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001176674314 798523662 /nfs/dbraw/zinc/52/36/62/798523662.db2.gz IVBKRDOBXOSHBS-UHFFFAOYSA-N -1 0 330.300 2.147 20 5 EEBDRM Cc1c(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cccc1[N+](=O)[O-] ZINC000791016998 809034304 /nfs/dbraw/zinc/03/43/04/809034304.db2.gz ATSVLDHJUYNSQT-UHFFFAOYSA-N -1 0 331.284 2.447 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C2CC2)ccc1[N+](=O)[O-] ZINC000805884523 811639764 /nfs/dbraw/zinc/63/97/64/811639764.db2.gz SALUNJSLBKUAJX-UHFFFAOYSA-N -1 0 326.374 2.144 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000809062955 812952294 /nfs/dbraw/zinc/95/22/94/812952294.db2.gz DDFFBQYPWCCERH-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM CN(CC(=O)NC1(C(=O)[O-])CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000431993483 939170906 /nfs/dbraw/zinc/17/09/06/939170906.db2.gz SDMKPAAAGYQQNJ-UHFFFAOYSA-N -1 0 349.387 2.325 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159007539 949372909 /nfs/dbraw/zinc/37/29/09/949372909.db2.gz VIGMATHAFPXMEU-QMMMGPOBSA-N -1 0 345.149 2.293 20 5 EEBDRM O=C([O-])c1cnc(C(=O)N2CCCCc3cc([N+](=O)[O-])ccc32)cn1 ZINC001595266847 949757113 /nfs/dbraw/zinc/75/71/13/949757113.db2.gz HADSKMTZDJZQGW-UHFFFAOYSA-N -1 0 342.311 2.066 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001589272620 953426360 /nfs/dbraw/zinc/42/63/60/953426360.db2.gz XBTFVKFXQLESLD-BDAKNGLRSA-N -1 0 325.296 2.308 20 5 EEBDRM O=C([O-])C1(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CCSCC1 ZINC001594869173 954332719 /nfs/dbraw/zinc/33/27/19/954332719.db2.gz HJOCWYFVHZXGFB-UHFFFAOYSA-N -1 0 346.311 2.410 20 5 EEBDRM CC[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC001589525294 955108762 /nfs/dbraw/zinc/10/87/62/955108762.db2.gz TYFLTUNDJMTWNO-NSHDSACASA-N -1 0 335.360 2.380 20 5 EEBDRM CC[C@@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001589538094 955175996 /nfs/dbraw/zinc/17/59/96/955175996.db2.gz MHJGDRQAUJKIMC-ZDUSSCGKSA-N -1 0 337.376 2.328 20 5 EEBDRM O=C([O-])c1ccccc1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001594707028 956846858 /nfs/dbraw/zinc/84/68/58/956846858.db2.gz XPFPYUIVGUQQNV-UHFFFAOYSA-N -1 0 332.287 2.291 20 5 EEBDRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001588549004 959007438 /nfs/dbraw/zinc/00/74/38/959007438.db2.gz QEJDCTRVIPSCMS-NHCYSSNCSA-N -1 0 338.335 2.407 20 5 EEBDRM Cc1c(CNC(=O)C2(C(=O)[O-])CCSCC2)cccc1[N+](=O)[O-] ZINC001594261576 959697998 /nfs/dbraw/zinc/69/79/98/959697998.db2.gz IAVJLCMACOZLNN-UHFFFAOYSA-N -1 0 338.385 2.117 20 5 EEBDRM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574521970 961859920 /nfs/dbraw/zinc/85/99/20/961859920.db2.gz PVMIDJMFTGJZJL-DTORHVGOSA-N -1 0 326.736 2.160 20 5 EEBDRM COc1c(C(=O)NCc2ccccc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001574175562 962786427 /nfs/dbraw/zinc/78/64/27/962786427.db2.gz QPYSYMUBJPZFTG-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C(=O)[O-])nc1 ZINC001604180169 972600476 /nfs/dbraw/zinc/60/04/76/972600476.db2.gz CFDIYXZUMWRNOA-UHFFFAOYSA-N -1 0 329.312 2.003 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC001603360162 972822745 /nfs/dbraw/zinc/82/27/45/972822745.db2.gz NGRRFAAPFFEDAU-AAEUAGOBSA-N -1 0 345.355 2.119 20 5 EEBDRM Cn1nc(C(=O)[O-])cc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001605540122 973743142 /nfs/dbraw/zinc/74/31/42/973743142.db2.gz MYFPDHWMISSGIR-UHFFFAOYSA-N -1 0 330.344 2.191 20 5 EEBDRM COc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001604820406 974054713 /nfs/dbraw/zinc/05/47/13/974054713.db2.gz BXVTZWXDFYGUOH-UHFFFAOYSA-N -1 0 325.321 2.226 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@](C)(C(=O)[O-])C3)c2c1 ZINC001604851383 974091419 /nfs/dbraw/zinc/09/14/19/974091419.db2.gz MSDWDSKEIPYAOU-INIZCTEOSA-N -1 0 331.328 2.453 20 5 EEBDRM CC(C)Oc1cc(C(=O)NC2CC(CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001591751124 975801704 /nfs/dbraw/zinc/80/17/04/975801704.db2.gz JFPXQXYZBQTBJL-UHFFFAOYSA-N -1 0 336.344 2.365 20 5 EEBDRM C[C@H](CN(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001592567937 978460109 /nfs/dbraw/zinc/46/01/09/978460109.db2.gz CMZNWDKBGKPMBD-SECBINFHSA-N -1 0 328.752 2.360 20 5 EEBDRM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)[O-] ZINC001592574242 978470830 /nfs/dbraw/zinc/47/08/30/978470830.db2.gz OOZMOCJRHFWGJC-SSDOTTSWSA-N -1 0 334.250 2.406 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@](C)(C(=O)[O-])C1 ZINC000841495286 979301349 /nfs/dbraw/zinc/30/13/49/979301349.db2.gz MQSKOEAJLRUZDV-CQSZACIVSA-N -1 0 342.735 2.336 20 5 EEBDRM Nc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000851617759 979541857 /nfs/dbraw/zinc/54/18/57/979541857.db2.gz FILYNXHKIZINLQ-OBJOEFQTSA-N -1 0 347.371 2.283 20 5 EEBDRM CC[C@H](O)[C@@H]1CCCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595327355 980546503 /nfs/dbraw/zinc/54/65/03/980546503.db2.gz SPBKYSIIJLMOSW-KBPBESRZSA-N -1 0 336.344 2.059 20 5 EEBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001594792226 981859995 /nfs/dbraw/zinc/85/99/95/981859995.db2.gz MHAAMBUHZPQOGR-MRXNPFEDSA-N -1 0 335.360 2.404 20 5 EEBDRM CCN(CCC1CC1)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001596320957 983753080 /nfs/dbraw/zinc/75/30/80/983753080.db2.gz WKCLULUGNOWFSZ-NSHDSACASA-N -1 0 349.387 2.424 20 5 EEBDRM CCOC(=O)c1cc(C(=O)O[C@H](C(=O)[O-])C(C)C)cc([N+](=O)[O-])c1 ZINC001596703421 984888188 /nfs/dbraw/zinc/88/81/88/984888188.db2.gz WOQIUNPUUXTKIN-LBPRGKRZSA-N -1 0 339.300 2.038 20 5 EEBDRM C[C@H]1N(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCOC1(C)C ZINC001594627541 986699211 /nfs/dbraw/zinc/69/92/11/986699211.db2.gz VPQJQYXJCCQIPY-LLVKDONJSA-N -1 0 338.360 2.058 20 5 EEBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001589617087 987488599 /nfs/dbraw/zinc/48/85/99/987488599.db2.gz MXXZFZBIGPNBNC-JTQLQIEISA-N -1 0 335.360 2.021 20 5 EEBDRM CSCC[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001599796720 988109639 /nfs/dbraw/zinc/10/96/39/988109639.db2.gz UUFAPJUUWQDEFW-RPTYSRGTSA-N -1 0 325.342 2.358 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)n1 ZINC001597899274 989769191 /nfs/dbraw/zinc/76/91/91/989769191.db2.gz GHKXNTAIZYTXAG-UHFFFAOYSA-N -1 0 340.242 2.040 20 5 EEBDRM CC(C)Cc1noc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001591497704 992634511 /nfs/dbraw/zinc/63/45/11/992634511.db2.gz HAMKBCMXBOABCP-UHFFFAOYSA-N -1 0 349.299 2.232 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001598530687 992776044 /nfs/dbraw/zinc/77/60/44/992776044.db2.gz ADKWSYAMBWXOIM-UHFFFAOYSA-N -1 0 330.300 2.352 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ncc(C(=O)[O-])s1 ZINC001593154332 993962340 /nfs/dbraw/zinc/96/23/40/993962340.db2.gz CJAVGLJXXQRFEC-LURJTMIESA-N -1 0 339.304 2.380 20 5 EEBDRM C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC001593155308 993966301 /nfs/dbraw/zinc/96/63/01/993966301.db2.gz LWUDDFMNUSNWDX-LURJTMIESA-N -1 0 339.304 2.380 20 5 EEBDRM C[C@](NC(=O)c1ccc(Cl)cn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593162800 993998583 /nfs/dbraw/zinc/99/85/83/993998583.db2.gz MNFABTREQONZKB-OAHLLOKOSA-N -1 0 349.730 2.373 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001599622593 994104898 /nfs/dbraw/zinc/10/48/98/994104898.db2.gz VBEYSVGKXYLXDD-UHFFFAOYSA-N -1 0 346.299 2.018 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)CC(=O)[O-] ZINC001599622663 994105764 /nfs/dbraw/zinc/10/57/64/994105764.db2.gz YHNSDTSFKHUBAH-UHFFFAOYSA-N -1 0 325.321 2.226 20 5 EEBDRM COc1cccc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1[N+](=O)[O-] ZINC001599641601 994367158 /nfs/dbraw/zinc/36/71/58/994367158.db2.gz VGGYSIQVHPZBJZ-WBMJQRKESA-N -1 0 334.328 2.073 20 5 EEBDRM COc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001599642420 994377988 /nfs/dbraw/zinc/37/79/88/994377988.db2.gz LQRMHALKDPCACH-CYBMUJFWSA-N -1 0 330.296 2.159 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C(=O)[O-])C1CC1 ZINC001593667545 996058431 /nfs/dbraw/zinc/05/84/31/996058431.db2.gz PXFMGURTNZMBDL-PELKAZGASA-N -1 0 325.342 2.482 20 5 EEBDRM C[C@]1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC001594027172 997570766 /nfs/dbraw/zinc/57/07/66/997570766.db2.gz NYCIWVNSLQYNJP-WMLDXEAASA-N -1 0 348.355 2.228 20 5 EEBDRM COC(=O)c1ccc(Oc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC ZINC001598985832 998695449 /nfs/dbraw/zinc/69/54/49/998695449.db2.gz RXZQEZOFCODOMT-UHFFFAOYSA-N -1 0 348.267 2.276 20 5 EEBDRM C[C@H]1CC(C)(C)CN1c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001594215919 998830533 /nfs/dbraw/zinc/83/05/33/998830533.db2.gz BNRIIKDGIDEOHV-JTQLQIEISA-N -1 0 335.360 2.034 20 5 EEBDRM CO[C@@H](CC(C)C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599044886 999144037 /nfs/dbraw/zinc/14/40/37/999144037.db2.gz FYLODNXKIZYEKK-BBRMVZONSA-N -1 0 338.360 2.072 20 5 EEBDRM C[C@@H]1CCc2nc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cn2C1 ZINC001594447962 999642299 /nfs/dbraw/zinc/64/22/99/999642299.db2.gz LMIKSKXLNCZRKP-SECBINFHSA-N -1 0 344.327 2.324 20 5 EEBDRM Cc1nc(COC(=O)c2csc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001610555984 1122006641 /nfs/dbraw/zinc/00/66/41/1122006641.db2.gz PRWZZQBZQUSTHS-UHFFFAOYSA-N -1 0 328.327 2.476 20 5 EEBDRM O=C(N[C@H]1CCc2ccccc2OC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000374875706 303985386 /nfs/dbraw/zinc/98/53/86/303985386.db2.gz LWKOTXYHJVXYFL-ZDUSSCGKSA-N -1 0 328.324 2.424 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000013277071 299246606 /nfs/dbraw/zinc/24/66/06/299246606.db2.gz XNHRYSNVONEISS-NSHDSACASA-N -1 0 335.360 2.034 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(Cl)s2)ccc1[O-] ZINC000070211574 215682853 /nfs/dbraw/zinc/68/28/53/215682853.db2.gz IVETVMXGQJYGHD-UHFFFAOYSA-N -1 0 348.789 2.494 20 5 EEBDRM C[C@H](Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1)C(=O)[O-] ZINC000191408854 239096011 /nfs/dbraw/zinc/09/60/11/239096011.db2.gz RLIXCFBWRLSSAW-LLVKDONJSA-N -1 0 346.343 2.083 20 5 EEBDRM COC1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000416265918 239151466 /nfs/dbraw/zinc/15/14/66/239151466.db2.gz KCCLXZZFAVEOOG-UHFFFAOYSA-N -1 0 348.277 2.484 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000038020069 213191618 /nfs/dbraw/zinc/19/16/18/213191618.db2.gz JIHFYBBGIOSLGJ-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM Cc1nnc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)c2)n1C ZINC000448277397 242387333 /nfs/dbraw/zinc/38/73/33/242387333.db2.gz ZCIDYXJKCPFCRH-UHFFFAOYSA-N -1 0 326.316 2.279 20 5 EEBDRM O=C(/C=C/C1CCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000492064741 246284283 /nfs/dbraw/zinc/28/42/83/246284283.db2.gz GJASLRGMVPQQOU-BQYQJAHWSA-N -1 0 344.776 2.409 20 5 EEBDRM O=C(Nc1n[nH]c(-c2ccccc2F)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163120287 255807815 /nfs/dbraw/zinc/80/78/15/255807815.db2.gz XVMVODXKVWHCFL-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2 ZINC000185181426 255937008 /nfs/dbraw/zinc/93/70/08/255937008.db2.gz GBVQJQXKNONBKI-SECBINFHSA-N -1 0 341.323 2.286 20 5 EEBDRM CO[C@H](C)c1nc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cs1 ZINC000267888328 256094497 /nfs/dbraw/zinc/09/44/97/256094497.db2.gz UGIDNXUDCDVGPG-MRVPVSSYSA-N -1 0 337.357 2.394 20 5 EEBDRM CC(C)(C)[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000270650386 256156946 /nfs/dbraw/zinc/15/69/46/256156946.db2.gz QJPMFIAJQMFTGJ-SMDDNHRTSA-N -1 0 342.417 2.467 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCO[C@H](Cc2ccccc2)C1 ZINC000118973956 221214758 /nfs/dbraw/zinc/21/47/58/221214758.db2.gz ZSFAFRCJRWDKTQ-OAHLLOKOSA-N -1 0 342.351 2.384 20 5 EEBDRM Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC000089267624 292207812 /nfs/dbraw/zinc/20/78/12/292207812.db2.gz MNUTVDWYUUFNLI-UHFFFAOYSA-N -1 0 347.356 2.284 20 5 EEBDRM Cc1nncn1-c1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000119398445 292245041 /nfs/dbraw/zinc/24/50/41/292245041.db2.gz GOIPWCQRQDQJNB-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccn3n2)c1[N+](=O)[O-] ZINC000191798055 152275377 /nfs/dbraw/zinc/27/53/77/152275377.db2.gz SLMMHEUMOQQBKS-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM C/C=C/C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262849759 152328326 /nfs/dbraw/zinc/32/83/26/152328326.db2.gz WOGKHGJNDFPPCM-IBUXWKBASA-N -1 0 333.344 2.318 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000262951311 152344667 /nfs/dbraw/zinc/34/46/67/152344667.db2.gz IDUDIOJRXZWGMQ-KRWDZBQOSA-N -1 0 343.339 2.470 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC(COc2ccccc2)C1 ZINC000377160578 154066473 /nfs/dbraw/zinc/06/64/73/154066473.db2.gz DOECHDLANXFCLO-UHFFFAOYSA-N -1 0 328.324 2.451 20 5 EEBDRM C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])NC(=O)C1CCCC1 ZINC000089540941 159183060 /nfs/dbraw/zinc/18/30/60/159183060.db2.gz PSZHKZLRMGLQLM-JTQLQIEISA-N -1 0 335.360 2.324 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000105781559 159304704 /nfs/dbraw/zinc/30/47/04/159304704.db2.gz OWUVUWMVTDSBGW-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM Cc1nncn1-c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000133445186 292415284 /nfs/dbraw/zinc/41/52/84/292415284.db2.gz GRJTUSOHXAERSK-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM COCCN(CC(=O)[O-])C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262079078 292453559 /nfs/dbraw/zinc/45/35/59/292453559.db2.gz GPKGSUMWLYVVSF-UHFFFAOYSA-N -1 0 338.360 2.066 20 5 EEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000354642204 162936209 /nfs/dbraw/zinc/93/62/09/162936209.db2.gz NZRDOJSNJRMADH-UHFFFAOYSA-N -1 0 338.307 2.499 20 5 EEBDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000355249500 163121603 /nfs/dbraw/zinc/12/16/03/163121603.db2.gz CAPXLTQPJMSWCM-UHFFFAOYSA-N -1 0 332.288 2.365 20 5 EEBDRM O=c1[nH]c2cccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2o1 ZINC000357338212 163682062 /nfs/dbraw/zinc/68/20/62/163682062.db2.gz FIJOQALDDZQBPH-UHFFFAOYSA-N -1 0 335.297 2.242 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)ccnc1C ZINC000358930592 164018285 /nfs/dbraw/zinc/01/82/85/164018285.db2.gz CDCAGDAKZZNUQY-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000359857431 164186409 /nfs/dbraw/zinc/18/64/09/164186409.db2.gz OSEZOECNINDGOP-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000360032668 164220574 /nfs/dbraw/zinc/22/05/74/164220574.db2.gz WVWUSBXDFVTBDY-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM Cc1n[nH]cc1-c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])s1 ZINC000368733556 166118066 /nfs/dbraw/zinc/11/80/66/166118066.db2.gz PSAIPBWQXTVRDH-UHFFFAOYSA-N -1 0 346.328 2.103 20 5 EEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2-c2nc[nH]n2)c1 ZINC000376755509 167387222 /nfs/dbraw/zinc/38/72/22/167387222.db2.gz WSCRMWLWCAEIHV-UHFFFAOYSA-N -1 0 345.340 2.181 20 5 EEBDRM COC(=O)c1ccc(CN(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000738051284 577997678 /nfs/dbraw/zinc/99/76/78/577997678.db2.gz KCCHAKOXXXCNON-UHFFFAOYSA-N -1 0 345.311 2.111 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000245757127 292593102 /nfs/dbraw/zinc/59/31/02/292593102.db2.gz VBPWLRQGIVMMIE-HIBRMCEJSA-N -1 0 340.401 2.110 20 5 EEBDRM CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000275061155 269090559 /nfs/dbraw/zinc/09/05/59/269090559.db2.gz UVAWMQYDFYMLLM-SNVBAGLBSA-N -1 0 344.389 2.153 20 5 EEBDRM O=C([O-])CCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000275274978 269106542 /nfs/dbraw/zinc/10/65/42/269106542.db2.gz KGZYSYRUWUURCW-UHFFFAOYSA-N -1 0 342.373 2.003 20 5 EEBDRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000275372915 269111924 /nfs/dbraw/zinc/11/19/24/269111924.db2.gz WNRDSDFBAGBBCG-SNVBAGLBSA-N -1 0 344.389 2.085 20 5 EEBDRM Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000279268402 269265097 /nfs/dbraw/zinc/26/50/97/269265097.db2.gz JGNFLSIENNXTIE-JTQLQIEISA-N -1 0 346.343 2.180 20 5 EEBDRM O=C(Nc1ccn(Cc2ccncc2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185716364 274022321 /nfs/dbraw/zinc/02/23/21/274022321.db2.gz RSAXIHBUUXSVMW-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM Cc1cnccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188837879 274033602 /nfs/dbraw/zinc/03/36/02/274033602.db2.gz LYEQIYULVJGHPO-UHFFFAOYSA-N -1 0 341.776 2.430 20 5 EEBDRM O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000290811649 275242357 /nfs/dbraw/zinc/24/23/57/275242357.db2.gz FHZAVEXFRMIFRD-KSSFIOAISA-N -1 0 342.351 2.196 20 5 EEBDRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296940082 294107185 /nfs/dbraw/zinc/10/71/85/294107185.db2.gz NFFIVFXMMDDJKD-QMMMGPOBSA-N -1 0 327.312 2.075 20 5 EEBDRM CO[C@]1(C)CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000263564359 294825266 /nfs/dbraw/zinc/82/52/66/294825266.db2.gz DWYIQEIBJDRVQZ-MRXNPFEDSA-N -1 0 336.344 2.324 20 5 EEBDRM NC(=O)[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000346612084 303331030 /nfs/dbraw/zinc/33/10/30/303331030.db2.gz MIAZHNUZONFNIK-YUMQZZPRSA-N -1 0 341.751 2.184 20 5 EEBDRM Cc1cc(S(=O)(=O)N(CCC(=O)[O-])C(C)C)cc([N+](=O)[O-])c1C ZINC000319950685 311594847 /nfs/dbraw/zinc/59/48/47/311594847.db2.gz UGAJVRABAIBONA-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1c(CNC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000326372009 311603619 /nfs/dbraw/zinc/60/36/19/311603619.db2.gz JUDCFRGUQSGMCJ-QMTHXVAHSA-N -1 0 335.360 2.298 20 5 EEBDRM COC(=O)c1ccc(O)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000436502458 314968562 /nfs/dbraw/zinc/96/85/62/314968562.db2.gz HGNIJVFFUTZYDQ-UHFFFAOYSA-N -1 0 332.268 2.045 20 5 EEBDRM O=C(N[C@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436751615 314995150 /nfs/dbraw/zinc/99/51/50/314995150.db2.gz TWJGFVBEZQFNNG-NSHDSACASA-N -1 0 345.330 2.448 20 5 EEBDRM O=C(NC[C@H](O)CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436841181 315004598 /nfs/dbraw/zinc/00/45/98/315004598.db2.gz SLOGULHFKJEOJD-CQSZACIVSA-N -1 0 330.340 2.024 20 5 EEBDRM CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436945146 315015273 /nfs/dbraw/zinc/01/52/73/315015273.db2.gz MDAWTNUKJLBCSM-UHFFFAOYSA-N -1 0 330.296 2.301 20 5 EEBDRM COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436961457 315016836 /nfs/dbraw/zinc/01/68/36/315016836.db2.gz UOOSSMRFNAKOTP-BLLLJJGKSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C(NC[C@@H](O)CCc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436987012 315020189 /nfs/dbraw/zinc/02/01/89/315020189.db2.gz IIRXXQHIIFXCGX-AWEZNQCLSA-N -1 0 330.340 2.024 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(OC)c1 ZINC000444386906 315298146 /nfs/dbraw/zinc/29/81/46/315298146.db2.gz YEZLOWSLRGUWAM-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM Nc1c(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000449005725 315409043 /nfs/dbraw/zinc/40/90/43/315409043.db2.gz WWCYBQDNDADMHW-GFCCVEGCSA-N -1 0 335.360 2.330 20 5 EEBDRM C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC000518178811 316710521 /nfs/dbraw/zinc/71/05/21/316710521.db2.gz BFMVEXYLNHIHMA-MGCOHNPYSA-N -1 0 342.373 2.150 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2C)cc1[N+](=O)[O-] ZINC000531040319 317766110 /nfs/dbraw/zinc/76/61/10/317766110.db2.gz WDFGFHKALAZKQZ-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CNc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000539605274 318058024 /nfs/dbraw/zinc/05/80/24/318058024.db2.gz PESUBSLRFLCMPD-AWEZNQCLSA-N -1 0 329.312 2.192 20 5 EEBDRM O=C(Nc1ncn(Cc2ccccc2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000540932703 318085141 /nfs/dbraw/zinc/08/51/41/318085141.db2.gz WEAFWNHTTZKHJY-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])Cn1ccnc1 ZINC000563179188 318980182 /nfs/dbraw/zinc/98/01/82/318980182.db2.gz AUPDFIQLLGDOSI-SECBINFHSA-N -1 0 338.751 2.216 20 5 EEBDRM Cc1cc(NCCCCCS(C)(=O)=O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563213971 318984831 /nfs/dbraw/zinc/98/48/31/318984831.db2.gz JTBSVWMZBLRYKS-UHFFFAOYSA-N -1 0 344.389 2.228 20 5 EEBDRM C[C@@H](CCC1CC1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000563531958 319020252 /nfs/dbraw/zinc/02/02/52/319020252.db2.gz DGTAOPIZQMXOMA-VIFPVBQESA-N -1 0 342.373 2.150 20 5 EEBDRM CC[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000565604958 319197976 /nfs/dbraw/zinc/19/79/76/319197976.db2.gz YHXQXBICQCYQPC-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM C[C@@](CO)(CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000566291151 319269801 /nfs/dbraw/zinc/26/98/01/319269801.db2.gz IDBSOQRJSVFJQY-KRWDZBQOSA-N -1 0 345.355 2.341 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)CC1CC1 ZINC000566344731 319277159 /nfs/dbraw/zinc/27/71/59/319277159.db2.gz YMDDHEIZDNPTDA-LLVKDONJSA-N -1 0 331.328 2.307 20 5 EEBDRM Cc1ccccc1N1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000567980969 319440651 /nfs/dbraw/zinc/44/06/51/319440651.db2.gz VGVYLUXDAQUMQW-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM Cc1cc(N2CCC[C@H](Cn3cncn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570847225 319703930 /nfs/dbraw/zinc/70/39/30/319703930.db2.gz FTTPDQYPLKPWFW-LBPRGKRZSA-N -1 0 345.359 2.110 20 5 EEBDRM CCc1nn(C)c(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000572124185 319817956 /nfs/dbraw/zinc/81/79/56/319817956.db2.gz LMWLOVGWAYQRSK-QGZVFWFLSA-N -1 0 344.371 2.123 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000573926968 319980051 /nfs/dbraw/zinc/98/00/51/319980051.db2.gz JMLJHAJGMTUTQY-UHFFFAOYSA-N -1 0 347.352 2.455 20 5 EEBDRM CC(=O)c1ccc(NCCC[NH+]2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000574456461 320027288 /nfs/dbraw/zinc/02/72/88/320027288.db2.gz NDHVJBCICPULKW-UHFFFAOYSA-N -1 0 349.387 2.396 20 5 EEBDRM C[C@@]1(c2ccccc2)CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000574521844 320033001 /nfs/dbraw/zinc/03/30/01/320033001.db2.gz KVGHIEBXMFFCKY-KRWDZBQOSA-N -1 0 343.339 2.440 20 5 EEBDRM C[C@@H]1[C@@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000574990480 320077774 /nfs/dbraw/zinc/07/77/74/320077774.db2.gz ALCCCOSWJWJNPM-RKDXNWHRSA-N -1 0 327.768 2.118 20 5 EEBDRM CN1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000576640465 320191077 /nfs/dbraw/zinc/19/10/77/320191077.db2.gz YPYHVHTZIPJUOD-UHFFFAOYSA-N -1 0 328.328 2.144 20 5 EEBDRM CC(C)c1ncc(CN(C)c2nc(C(=O)[O-])ccc2[N+](=O)[O-])cn1 ZINC000576877546 320212213 /nfs/dbraw/zinc/21/22/13/320212213.db2.gz ARAHINQMUWYGEK-UHFFFAOYSA-N -1 0 331.332 2.238 20 5 EEBDRM CN1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])Cc2ccccc21 ZINC000580956591 324158363 /nfs/dbraw/zinc/15/83/63/324158363.db2.gz BXQKRGKKNBDEJH-UHFFFAOYSA-N -1 0 328.328 2.144 20 5 EEBDRM CC(C)[C@H](O)C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000582124283 324385954 /nfs/dbraw/zinc/38/59/54/324385954.db2.gz XZPAAWCOVZPBPY-ZDUSSCGKSA-N -1 0 342.779 2.481 20 5 EEBDRM Cn1cnc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000083577540 463551559 /nfs/dbraw/zinc/55/15/59/463551559.db2.gz IIKCNNWFHCCAOS-UHFFFAOYSA-N -1 0 332.341 2.282 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000337177019 465229603 /nfs/dbraw/zinc/22/96/03/465229603.db2.gz JQZBDLRCSQCGSE-UHFFFAOYSA-N -1 0 340.361 2.011 20 5 EEBDRM O=C(/C=C\c1ccccc1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000491168259 468312997 /nfs/dbraw/zinc/31/29/97/468312997.db2.gz OZPMDTHFVQVOEO-FLIBITNWSA-N -1 0 346.364 2.254 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000013392803 462892041 /nfs/dbraw/zinc/89/20/41/462892041.db2.gz FHXXOCBPSFTTSC-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM O=C(NCCOc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000134309293 463023597 /nfs/dbraw/zinc/02/35/97/463023597.db2.gz FSQOWXDXUSUKCI-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(Cc2cccs2)CC1 ZINC000023737284 463071571 /nfs/dbraw/zinc/07/15/71/463071571.db2.gz NVDJXHNFNKWONP-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000158359712 463230001 /nfs/dbraw/zinc/23/00/01/463230001.db2.gz AOHOTTPAJRAYOS-LLVKDONJSA-N -1 0 341.751 2.126 20 5 EEBDRM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000158559599 463240216 /nfs/dbraw/zinc/24/02/16/463240216.db2.gz WKYAPNLYWPGPGI-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1n1ccnc1 ZINC000125582964 463558988 /nfs/dbraw/zinc/55/89/88/463558988.db2.gz OPCGDGNABAKTPL-BXUZGUMPSA-N -1 0 330.344 2.220 20 5 EEBDRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000268774027 463790497 /nfs/dbraw/zinc/79/04/97/463790497.db2.gz NBDVJSGZBCHIBW-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM COC(=O)c1cc(NS(=O)(=O)CCC2CC2)c(C)c([N+](=O)[O-])c1 ZINC000277045606 463855270 /nfs/dbraw/zinc/85/52/70/463855270.db2.gz MUBBGWYKTFOXND-UHFFFAOYSA-N -1 0 342.373 2.232 20 5 EEBDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000178199500 463860078 /nfs/dbraw/zinc/86/00/78/463860078.db2.gz QEOKFHCNDMJOAU-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C([O-])CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000263495895 464116822 /nfs/dbraw/zinc/11/68/22/464116822.db2.gz QUZBWCRGNCIWAG-UHFFFAOYSA-N -1 0 333.247 2.183 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000236730318 464221569 /nfs/dbraw/zinc/22/15/69/464221569.db2.gz XVOZXWSKMAACBL-LBPRGKRZSA-N -1 0 349.387 2.424 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 ZINC000568987578 468419552 /nfs/dbraw/zinc/41/95/52/468419552.db2.gz PNNYQKNEPUTAKY-MRXNPFEDSA-N -1 0 336.344 2.115 20 5 EEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000183384432 464858153 /nfs/dbraw/zinc/85/81/53/464858153.db2.gz VNJKXGYCIZRQOZ-UHFFFAOYSA-N -1 0 344.352 2.480 20 5 EEBDRM Cc1cc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)cc([N+](=O)[O-])c1 ZINC000339599978 465376451 /nfs/dbraw/zinc/37/64/51/465376451.db2.gz FKPWDNUCWDINRZ-UHFFFAOYSA-N -1 0 341.352 2.491 20 5 EEBDRM COc1ccc(OC)c(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356453600 465391573 /nfs/dbraw/zinc/39/15/73/465391573.db2.gz BMIHOSQJSNOEIQ-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM O=[N+]([O-])c1ccc(-c2noc([N-][C@@H]3c4ccccc4C[C@H]3O)n2)cc1 ZINC000359467894 465410575 /nfs/dbraw/zinc/41/05/75/465410575.db2.gz SKDGUYJHADMONT-HUUCEWRRSA-N -1 0 338.323 2.715 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000593921150 468434872 /nfs/dbraw/zinc/43/48/72/468434872.db2.gz GJBRQTCZBBIPIC-BXKDBHETSA-N -1 0 326.374 2.397 20 5 EEBDRM O=C([O-])Cc1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000357022003 465708787 /nfs/dbraw/zinc/70/87/87/465708787.db2.gz AKIGHFYOXRHXSF-UHFFFAOYSA-N -1 0 336.325 2.023 20 5 EEBDRM CC(C)N(C)C(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000330669943 465754404 /nfs/dbraw/zinc/75/44/04/465754404.db2.gz YUUSMUCIXLEVCK-UHFFFAOYSA-N -1 0 349.387 2.019 20 5 EEBDRM COC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCCC1 ZINC000555349001 468472606 /nfs/dbraw/zinc/47/26/06/468472606.db2.gz UJVGWLJLFKQDOS-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM COc1ccc(CNC(=O)CC2(CC(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC000591531563 468479878 /nfs/dbraw/zinc/47/98/78/468479878.db2.gz YWAGZMLCFLOWAK-UHFFFAOYSA-N -1 0 336.344 2.255 20 5 EEBDRM COCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000340892888 466413713 /nfs/dbraw/zinc/41/37/13/466413713.db2.gz CPUYCZPAXYPGOY-UHFFFAOYSA-N -1 0 338.341 2.248 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccn(CC(F)F)n1 ZINC000362009452 466478735 /nfs/dbraw/zinc/47/87/35/466478735.db2.gz ALDMWDHAVSQXDW-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM CC(C)C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000321790725 466626183 /nfs/dbraw/zinc/62/61/83/466626183.db2.gz WKSSLAPUFOLZPS-JTQLQIEISA-N -1 0 344.389 2.157 20 5 EEBDRM O=C(/C=C\C1CCCC1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000493130016 467847149 /nfs/dbraw/zinc/84/71/49/467847149.db2.gz WDRVRAQZGUAZQR-YVMONPNESA-N -1 0 342.348 2.285 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000567734544 468199238 /nfs/dbraw/zinc/19/92/38/468199238.db2.gz OKFLTNRYJHBJBU-QPUJVOFHSA-N -1 0 326.736 2.431 20 5 EEBDRM C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000519764926 468207524 /nfs/dbraw/zinc/20/75/24/468207524.db2.gz IZEXWCOTEOJCKA-SKDRFNHKSA-N -1 0 342.373 2.150 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@H](CO)Cc2ccccc21 ZINC000590403724 468246704 /nfs/dbraw/zinc/24/67/04/468246704.db2.gz BQIKLQRGIAMMEU-LLVKDONJSA-N -1 0 328.324 2.112 20 5 EEBDRM CC[C@@H](C)CCNS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000594719956 468663601 /nfs/dbraw/zinc/66/36/01/468663601.db2.gz LTADNGUHAYZOGQ-SECBINFHSA-N -1 0 344.389 2.316 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000559077548 468727934 /nfs/dbraw/zinc/72/79/34/468727934.db2.gz PUGQLUKJYSRWCL-NSHDSACASA-N -1 0 344.389 2.084 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCO[C@@H](CC(F)(F)F)C2)n1 ZINC000595280541 468799510 /nfs/dbraw/zinc/79/95/10/468799510.db2.gz MHDQQYDOCZPWDM-QMMMGPOBSA-N -1 0 349.265 2.154 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1NCCc1ccc(C(=O)[O-])cc1OC ZINC000592981414 468833523 /nfs/dbraw/zinc/83/35/23/468833523.db2.gz XBGFVHWQNCOTCQ-UHFFFAOYSA-N -1 0 348.359 2.481 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCc2cncn2C1 ZINC000561308328 468886222 /nfs/dbraw/zinc/88/62/22/468886222.db2.gz OFXDMQRDKKQCHW-MRVPVSSYSA-N -1 0 336.735 2.351 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000593291230 468930405 /nfs/dbraw/zinc/93/04/05/468930405.db2.gz ZVEXANPCKSZHEA-LBPRGKRZSA-N -1 0 335.360 2.171 20 5 EEBDRM O=C([O-])CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000610844308 469087076 /nfs/dbraw/zinc/08/70/76/469087076.db2.gz HABPSJFUVJKDNE-UHFFFAOYSA-N -1 0 331.328 2.015 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@@H](c3ccco3)C2)c1 ZINC000593740341 469118839 /nfs/dbraw/zinc/11/88/39/469118839.db2.gz UWXITOJIZAKNFE-OAHLLOKOSA-N -1 0 332.312 2.460 20 5 EEBDRM Cc1cc(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593755870 469125958 /nfs/dbraw/zinc/12/59/58/469125958.db2.gz UFCJTYQACJVRME-MEBBXXQBSA-N -1 0 331.328 2.130 20 5 EEBDRM O=c1[n-]nc([C@H]2CCCN(c3c(Cl)cncc3[N+](=O)[O-])C2)o1 ZINC000596224896 469210894 /nfs/dbraw/zinc/21/08/94/469210894.db2.gz JZHKYKDSBYZMKJ-ZETCQYMHSA-N -1 0 325.712 2.116 20 5 EEBDRM CCC[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])OCC ZINC000599368581 469230861 /nfs/dbraw/zinc/23/08/61/469230861.db2.gz YQUNRUUPSIYJCC-SNVBAGLBSA-N -1 0 334.369 2.217 20 5 EEBDRM Cc1nc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000611526512 469272223 /nfs/dbraw/zinc/27/22/23/469272223.db2.gz YQLNRRSEDPMIIB-UHFFFAOYSA-N -1 0 349.368 2.307 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000611554431 469277535 /nfs/dbraw/zinc/27/75/35/469277535.db2.gz PVZXOGOXHMBIAS-MRVPVSSYSA-N -1 0 342.311 2.373 20 5 EEBDRM O=C(NCCN1CCCc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611555031 469278876 /nfs/dbraw/zinc/27/88/76/469278876.db2.gz IZQMWKUEWMOVRJ-UHFFFAOYSA-N -1 0 341.367 2.483 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000599864729 469396798 /nfs/dbraw/zinc/39/67/98/469396798.db2.gz ULTWRJUPDALZBH-WOPDTQHZSA-N -1 0 335.360 2.408 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000612550062 469493384 /nfs/dbraw/zinc/49/33/84/469493384.db2.gz IWSPNDGLUZICMP-CPCISQLKSA-N -1 0 334.250 2.092 20 5 EEBDRM CCc1ncsc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619468073 469617025 /nfs/dbraw/zinc/61/70/25/469617025.db2.gz VRLSJSCVEQOIIQ-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM CC[C@@H](CSC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619495163 469624783 /nfs/dbraw/zinc/62/47/83/469624783.db2.gz WRNVYMZEOJBLEE-VIFPVBQESA-N -1 0 334.419 2.023 20 5 EEBDRM Cc1cc(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC000738216927 578004132 /nfs/dbraw/zinc/00/41/32/578004132.db2.gz UFWOIMUNEMVIGB-AWEZNQCLSA-N -1 0 344.323 2.338 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](O)c1cccc(F)c1 ZINC000773434104 577342050 /nfs/dbraw/zinc/34/20/50/577342050.db2.gz QNCWVGBUNUKEKF-VFZGTOFNSA-N -1 0 334.303 2.291 20 5 EEBDRM CCc1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000774960318 577424720 /nfs/dbraw/zinc/42/47/20/577424720.db2.gz CCLFMQJJAVRNPE-UHFFFAOYSA-N -1 0 348.277 2.383 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])sc1C ZINC000775289830 577434198 /nfs/dbraw/zinc/43/41/98/577434198.db2.gz AOCSSTMUBWYNIP-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM CCCCC[C@@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000776665040 577465607 /nfs/dbraw/zinc/46/56/07/577465607.db2.gz YEUNWYQXCLDAFE-GFCCVEGCSA-N -1 0 338.360 2.296 20 5 EEBDRM CSc1cccc(C(=O)[N-]S(=O)(=O)CCC(C)C)c1[N+](=O)[O-] ZINC000777311339 577476497 /nfs/dbraw/zinc/47/64/97/577476497.db2.gz VNCZUTLUSVLAGC-UHFFFAOYSA-N -1 0 346.430 2.422 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)/C=C1/CC[C@@H](C)C1 ZINC000753803544 577793970 /nfs/dbraw/zinc/79/39/70/577793970.db2.gz ULEDVAITEZNTFT-WJEYQPDNSA-N -1 0 338.385 2.455 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000754748266 577811915 /nfs/dbraw/zinc/81/19/15/577811915.db2.gz ZXPJPRJXMYCWEI-UHFFFAOYSA-N -1 0 344.414 2.319 20 5 EEBDRM Cc1cccc(C[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C(=O)[O-])c1 ZINC000738711691 578024622 /nfs/dbraw/zinc/02/46/22/578024622.db2.gz NSPITVJPWMJHOG-GFCCVEGCSA-N -1 0 332.312 2.170 20 5 EEBDRM Cc1ccnc(NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])c1[N+](=O)[O-] ZINC000738793555 578027071 /nfs/dbraw/zinc/02/70/71/578027071.db2.gz YUXRPJWGXGQLOL-LBPRGKRZSA-N -1 0 331.328 2.359 20 5 EEBDRM Cc1ccnc(NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c1[N+](=O)[O-] ZINC000738793554 578027087 /nfs/dbraw/zinc/02/70/87/578027087.db2.gz YUXRPJWGXGQLOL-GFCCVEGCSA-N -1 0 331.328 2.359 20 5 EEBDRM O=C([O-])c1c(F)cccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000739486105 578055131 /nfs/dbraw/zinc/05/51/31/578055131.db2.gz VPKJXGJMNAYZOA-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc3c([nH]c2=O)CCC3)cc([N+](=O)[O-])c1 ZINC000740089549 578080412 /nfs/dbraw/zinc/08/04/12/578080412.db2.gz DJXYGUARMMHJOT-UHFFFAOYSA-N -1 0 343.295 2.135 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Oc2cc(-n3ccnc3)ncn2)c1 ZINC000740186737 578084683 /nfs/dbraw/zinc/08/46/83/578084683.db2.gz RKSQAMHJYPVBRH-UHFFFAOYSA-N -1 0 327.256 2.061 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000736241662 578189296 /nfs/dbraw/zinc/18/92/96/578189296.db2.gz FAJWFDDMXNCVCG-LBPRGKRZSA-N -1 0 326.374 2.302 20 5 EEBDRM CCNc1ccc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000737128952 578239732 /nfs/dbraw/zinc/23/97/32/578239732.db2.gz GBNKCBPDGZTRIL-SNVBAGLBSA-N -1 0 335.360 2.352 20 5 EEBDRM O=C([O-])CCCCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000070196971 598165243 /nfs/dbraw/zinc/16/52/43/598165243.db2.gz NMIWNMDBPHIIIB-UHFFFAOYSA-N -1 0 345.149 2.342 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000833125341 600975809 /nfs/dbraw/zinc/97/58/09/600975809.db2.gz HWBUXDPCIRYKKC-LBPRGKRZSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000833113120 601192213 /nfs/dbraw/zinc/19/22/13/601192213.db2.gz NRSYELDVPYYQLT-VXGBXAGGSA-N -1 0 335.312 2.212 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)COc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000828729231 601347252 /nfs/dbraw/zinc/34/72/52/601347252.db2.gz PSFHSTYNHUOJFF-AMIZOPFISA-N -1 0 344.751 2.243 20 5 EEBDRM CC(C)(NC(=S)NCCCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000826630346 601368811 /nfs/dbraw/zinc/36/88/11/601368811.db2.gz AUPUCUNOLXYXPP-UHFFFAOYSA-N -1 0 325.390 2.159 20 5 EEBDRM CCCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000829347969 601404968 /nfs/dbraw/zinc/40/49/68/601404968.db2.gz NNIYHYWUNOUDOB-GFCCVEGCSA-N -1 0 344.389 2.215 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)Nc2ccn(CC(=O)[O-])n2)cc1[N+](=O)[O-] ZINC000832921291 601725142 /nfs/dbraw/zinc/72/51/42/601725142.db2.gz OOFOTTDKMJRFQN-JTQLQIEISA-N -1 0 347.331 2.067 20 5 EEBDRM O=C([O-])c1ccccc1OS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000833334379 602205806 /nfs/dbraw/zinc/20/58/06/602205806.db2.gz DIVCFEMZXGTTKR-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM CC(C)(C)Oc1cccc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)n1 ZINC000833447325 604541809 /nfs/dbraw/zinc/54/18/09/604541809.db2.gz RTJAYRQWHKVIMJ-UHFFFAOYSA-N -1 0 347.327 2.075 20 5 EEBDRM C[C@@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CCCC[C@H]1C(=O)[O-] ZINC000833568740 604894560 /nfs/dbraw/zinc/89/45/60/604894560.db2.gz BMWKVBOVCVPURT-XJKSGUPXSA-N -1 0 336.344 2.123 20 5 EEBDRM O=C([O-])C1(CC(=O)Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCCC1 ZINC000013469601 682910524 /nfs/dbraw/zinc/91/05/24/682910524.db2.gz VNKPLUZICXLMHJ-UHFFFAOYSA-N -1 0 337.288 2.477 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cccs1 ZINC000122581441 683385583 /nfs/dbraw/zinc/38/55/83/683385583.db2.gz OFVFQBROTFJKAL-ZETCQYMHSA-N -1 0 346.411 2.326 20 5 EEBDRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000263511499 690031945 /nfs/dbraw/zinc/03/19/45/690031945.db2.gz CKTDXNYRNJZRCY-MRXNPFEDSA-N -1 0 338.360 2.328 20 5 EEBDRM C[C@@H]1N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000263579674 690213540 /nfs/dbraw/zinc/21/35/40/690213540.db2.gz VBDCMERVFQBKFP-NSHDSACASA-N -1 0 348.355 2.324 20 5 EEBDRM COC(=O)C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000843819608 1188633442 /nfs/dbraw/zinc/63/34/42/1188633442.db2.gz XUXCJLOUFDKJSK-SNVBAGLBSA-N -1 0 342.735 2.025 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000811723787 1200265924 /nfs/dbraw/zinc/26/59/24/1200265924.db2.gz ZAUWLKFIVYUDNO-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM CCCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cn1 ZINC000121743798 1201652043 /nfs/dbraw/zinc/65/20/43/1201652043.db2.gz GOTBQDKICOFPSC-UHFFFAOYSA-N -1 0 342.352 2.450 20 5 EEBDRM Cc1cc(C(=O)NCC(=O)[N-]OC2CCCCC2)ccc1[N+](=O)[O-] ZINC000779323191 1209951329 /nfs/dbraw/zinc/95/13/29/1209951329.db2.gz JNIWJSIFLGJXQJ-UHFFFAOYSA-N -1 0 335.360 2.014 20 5 EEBDRM C/C(=C\C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000194171119 1211115141 /nfs/dbraw/zinc/11/51/41/1211115141.db2.gz RCTWGIZHZIDLMY-BQYQJAHWSA-N -1 0 344.776 2.409 20 5 EEBDRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000851617645 1277686690 /nfs/dbraw/zinc/68/66/90/1277686690.db2.gz CHTHTIMFOXKLDP-LLVKDONJSA-N -1 0 347.331 2.052 20 5 EEBDRM O=c1[n-]c(CCCNc2cccc(Br)c2[N+](=O)[O-])n[nH]1 ZINC000856732898 1293610958 /nfs/dbraw/zinc/61/09/58/1293610958.db2.gz HAZCXWBQZPVOQE-UHFFFAOYSA-N -1 0 342.153 2.226 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001211290783 1295801219 /nfs/dbraw/zinc/80/12/19/1295801219.db2.gz KRQASUBCYQKLTI-UHFFFAOYSA-N -1 0 329.312 2.461 20 5 EEBDRM COc1cc(OC)c(-c2noc(-c3cccc([N+](=O)[O-])c3[O-])n2)cn1 ZINC001216702571 1297261183 /nfs/dbraw/zinc/26/11/83/1297261183.db2.gz VKARMUOKUQWTQI-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(OC2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC001226650660 1301495147 /nfs/dbraw/zinc/49/51/47/1301495147.db2.gz AMYSEAIFLRNTTG-YUMQZZPRSA-N -1 0 325.321 2.081 20 5 EEBDRM C[C@@H](O)CCCC(=O)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228859260 1302488482 /nfs/dbraw/zinc/48/84/82/1302488482.db2.gz KECHNGCOLKLWCC-ZCFIWIBFSA-N -1 0 338.238 2.171 20 5 EEBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@@H]2CCOC[C@H]2F)c1[N+](=O)[O-] ZINC001228860455 1302489971 /nfs/dbraw/zinc/48/99/71/1302489971.db2.gz UVEASFGDTOBGFT-IYSWYEEDSA-N -1 0 326.202 2.220 20 5 EEBDRM CC1=C(Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C(=O)O[C@H]1C ZINC001228860573 1302489789 /nfs/dbraw/zinc/48/97/89/1302489789.db2.gz WHONSLNDWIYUJD-YFKPBYRVSA-N -1 0 334.206 2.312 20 5 EEBDRM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])C2 ZINC001228968825 1302549854 /nfs/dbraw/zinc/54/98/54/1302549854.db2.gz QULUVJACPHJMRA-LBPRGKRZSA-N -1 0 332.268 2.460 20 5 EEBDRM COC(=O)[C@@H]1C[C@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC001231227906 1303691591 /nfs/dbraw/zinc/69/15/91/1303691591.db2.gz OWKHAGMLUFTJOC-MADCSZMMSA-N -1 0 340.288 2.175 20 5 EEBDRM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cc21 ZINC000782260946 1304011597 /nfs/dbraw/zinc/01/15/97/1304011597.db2.gz JZGCTAMTGQOVNB-UHFFFAOYSA-N -1 0 334.309 2.066 20 5 EEBDRM COc1ccccc1CO[N-]C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000799097803 1305155149 /nfs/dbraw/zinc/15/51/49/1305155149.db2.gz MJIIPXGSKNEJGP-UHFFFAOYSA-N -1 0 332.312 2.230 20 5 EEBDRM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001209934635 1325103589 /nfs/dbraw/zinc/10/35/89/1325103589.db2.gz QJYZWPZTSLQYML-UHFFFAOYSA-N -1 0 337.357 2.420 20 5 EEBDRM CN(C)S(=O)(=O)c1ccccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210401160 1325267033 /nfs/dbraw/zinc/26/70/33/1325267033.db2.gz QIKDSBWBEADIRJ-UHFFFAOYSA-N -1 0 337.357 2.294 20 5 EEBDRM O=C([O-])[C@H](C[C@@H]1CCCOC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001608534245 1351711922 /nfs/dbraw/zinc/71/19/22/1351711922.db2.gz TVOXRTVMAAFJCP-WPRPVWTQSA-N -1 0 329.740 2.325 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC(CC(=O)[O-])CC1 ZINC001601005800 1350187753 /nfs/dbraw/zinc/18/77/53/1350187753.db2.gz AMPSLVBANGTFHD-UHFFFAOYSA-N -1 0 336.270 2.038 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001601286027 1350249474 /nfs/dbraw/zinc/24/94/74/1350249474.db2.gz MCVLGHBMCADZHU-PSASIEDQSA-N -1 0 326.736 2.018 20 5 EEBDRM O=C([O-])c1c(Cl)c(NC[C@]2(O)CCSC2)ccc1[N+](=O)[O-] ZINC001602233093 1350472270 /nfs/dbraw/zinc/47/22/70/1350472270.db2.gz PEVXCOZNVHEDBA-GFCCVEGCSA-N -1 0 332.765 2.226 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)NC2CCC=CCC2)cc1[N+](=O)[O-] ZINC001602397195 1350510394 /nfs/dbraw/zinc/51/03/94/1350510394.db2.gz POKXGQMVQYZDMG-UHFFFAOYSA-N -1 0 340.357 2.070 20 5 EEBDRM O=C([O-])[C@H](c1ccsc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001608562132 1351716486 /nfs/dbraw/zinc/71/64/86/1351716486.db2.gz NGPFCYOLIPLXTQ-RISCZKNCSA-N -1 0 348.384 2.363 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001608271756 1351660085 /nfs/dbraw/zinc/66/00/85/1351660085.db2.gz HBEPHPAABBBEQV-UHFFFAOYSA-N -1 0 341.323 2.074 20 5 EEBDRM O=C([O-])[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])Oc1ccccc1 ZINC001608800214 1351766365 /nfs/dbraw/zinc/76/63/65/1351766365.db2.gz NIZZDSLYCJKAIB-GFCCVEGCSA-N -1 0 337.719 2.009 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC001608914140 1351792973 /nfs/dbraw/zinc/79/29/73/1351792973.db2.gz BMKVBPBFDNSAEE-SKDRFNHKSA-N -1 0 348.277 2.038 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)[C@H]2CCCSC2)c1 ZINC001608914738 1351793076 /nfs/dbraw/zinc/79/30/76/1351793076.db2.gz HJDGBWSLFYBNEB-JTQLQIEISA-N -1 0 325.342 2.479 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001608975037 1351806057 /nfs/dbraw/zinc/80/60/57/1351806057.db2.gz RNWRYJDCGNBUIW-RYUDHWBXSA-N -1 0 335.360 2.331 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC001324849219 1333772703 /nfs/dbraw/zinc/77/27/03/1333772703.db2.gz PLRLTLNKLCKURW-WOPDTQHZSA-N -1 0 340.401 2.472 20 5 EEBDRM Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001327004207 1334201119 /nfs/dbraw/zinc/20/11/19/1334201119.db2.gz TUOGHVCCQPYXPV-UHFFFAOYSA-N -1 0 338.389 2.427 20 5 EEBDRM CC(C)CN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001609697395 1352062026 /nfs/dbraw/zinc/06/20/26/1352062026.db2.gz CYHVLIFAKAYIRW-UHFFFAOYSA-N -1 0 346.286 2.379 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609773909 1352082321 /nfs/dbraw/zinc/08/23/21/1352082321.db2.gz ZOGLNWSFRHLOBF-PWSUYJOCSA-N -1 0 332.312 2.250 20 5 EEBDRM CCCCc1noc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001609972312 1352133187 /nfs/dbraw/zinc/13/31/87/1352133187.db2.gz CCYKGUBIYVPTHD-UHFFFAOYSA-N -1 0 349.299 2.376 20 5 EEBDRM CN(C)c1ncccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610107369 1352163443 /nfs/dbraw/zinc/16/34/43/1352163443.db2.gz FIAFKXVTYFHPIQ-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM CO[C@@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC001610240077 1352192582 /nfs/dbraw/zinc/19/25/82/1352192582.db2.gz POBYTKCNAVTQAS-QPUJVOFHSA-N -1 0 339.304 2.062 20 5 EEBDRM CC1(C)C[C@](C)(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(=O)O1 ZINC000848145046 1338531086 /nfs/dbraw/zinc/53/10/86/1338531086.db2.gz HPOMEAOQCYXSGR-AWEZNQCLSA-N -1 0 342.735 2.168 20 5 EEBDRM COc1ccc(NC(=O)COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001610340327 1352207932 /nfs/dbraw/zinc/20/79/32/1352207932.db2.gz IHWNDAMCPYHKDK-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCSCC1 ZINC001356573084 1338832313 /nfs/dbraw/zinc/83/23/13/1338832313.db2.gz BPISUHOAVBKAJW-UHFFFAOYSA-N -1 0 335.389 2.132 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001610480190 1352229892 /nfs/dbraw/zinc/22/98/92/1352229892.db2.gz TVAJZMXGMBHZGD-YPMHNXCESA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001610515473 1352236471 /nfs/dbraw/zinc/23/64/71/1352236471.db2.gz UAVPBAMUTDVYDG-UHFFFAOYSA-N -1 0 330.300 2.047 20 5 EEBDRM O=C([O-])COc1ccc(CN(CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC001610787136 1352274294 /nfs/dbraw/zinc/27/42/94/1352274294.db2.gz VBJBTGCVLVXVFS-UHFFFAOYSA-N -1 0 346.339 2.057 20 5 EEBDRM O=C([O-])c1c[nH]c(=O)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001610806216 1352277963 /nfs/dbraw/zinc/27/79/63/1352277963.db2.gz BMQRETQCRNIDOR-UHFFFAOYSA-N -1 0 337.675 2.299 20 5 EEBDRM Cc1c(NC(=O)[C@H](C)Oc2cccnc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600030698 1349958083 /nfs/dbraw/zinc/95/80/83/1349958083.db2.gz KNROPIKGHIKSPU-JTQLQIEISA-N -1 0 345.311 2.402 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N[C@@](C)(CCF)C(=O)[O-])cc1[N+](=O)[O-] ZINC001600216307 1349995236 /nfs/dbraw/zinc/99/52/36/1349995236.db2.gz BQRIZKLJZNIVEY-ZDUSSCGKSA-N -1 0 332.715 2.489 20 5 EEBDRM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC001600229975 1349997287 /nfs/dbraw/zinc/99/72/87/1349997287.db2.gz MSATZRCNRFQEFF-UHFFFAOYSA-N -1 0 335.247 2.093 20 5 EEBDRM Cc1cc(N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)ccc1[N+](=O)[O-] ZINC001600240618 1349999595 /nfs/dbraw/zinc/99/95/95/1349999595.db2.gz YEJZXXXWIJJGFZ-KRWDZBQOSA-N -1 0 334.372 2.489 20 5 EEBDRM Cc1cc(NC2CC(CC(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001600279129 1350009648 /nfs/dbraw/zinc/00/96/48/1350009648.db2.gz HHBWIRGZULASPN-UHFFFAOYSA-N -1 0 342.355 2.447 20 5 EEBDRM Cc1cc(OCC(=O)OCc2ccc(C(=O)[O-])o2)ccc1[N+](=O)[O-] ZINC001600291461 1350012747 /nfs/dbraw/zinc/01/27/47/1350012747.db2.gz ZYJVGWOUKRBKDN-UHFFFAOYSA-N -1 0 335.268 2.317 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001600304949 1350015809 /nfs/dbraw/zinc/01/58/09/1350015809.db2.gz YNTWZVNDOWFHOX-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)CCc2ocnc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001600367937 1350031423 /nfs/dbraw/zinc/03/14/23/1350031423.db2.gz GWIHRNUAPFDVSB-JTQLQIEISA-N -1 0 347.327 2.399 20 5 EEBDRM Cc1ccc(NCCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])nc1 ZINC001600459512 1350057119 /nfs/dbraw/zinc/05/71/19/1350057119.db2.gz LURCJNRRTQYSBW-UHFFFAOYSA-N -1 0 331.332 2.224 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])c1C ZINC001600487324 1350063108 /nfs/dbraw/zinc/06/31/08/1350063108.db2.gz XMWAEKYGPFPPIL-LLVKDONJSA-N -1 0 349.368 2.094 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)c1 ZINC001600487376 1350063249 /nfs/dbraw/zinc/06/32/49/1350063249.db2.gz ZWZBGRGANXKUFA-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1ccn2cc(C(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)nc2c1 ZINC001600596631 1350093380 /nfs/dbraw/zinc/09/33/80/1350093380.db2.gz XSMAYJHECDQNTR-UHFFFAOYSA-N -1 0 341.279 2.468 20 5 EEBDRM Cn1c2ccccc2c(NC[C@@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])c1=O ZINC001600895035 1350162000 /nfs/dbraw/zinc/16/20/00/1350162000.db2.gz OIYYEMWKSFNCNK-LLVKDONJSA-N -1 0 345.355 2.360 20 5 EEBDRM Cn1c2ncccc2c(NC(=O)c2cccc([N+](=O)[O-])c2)c1C(=O)[O-] ZINC001600901072 1350163383 /nfs/dbraw/zinc/16/33/83/1350163383.db2.gz VSKAXTIQEQNSJP-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM O=C([O-])c1ccn(CCCC(=O)OCc2cccc([N+](=O)[O-])c2)n1 ZINC001601273336 1350246620 /nfs/dbraw/zinc/24/66/20/1350246620.db2.gz SVWJAAJPQUVXBE-UHFFFAOYSA-N -1 0 333.300 2.013 20 5 EEBDRM O=C([O-])[C@@H](CC1CCCCC1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001601299596 1350252640 /nfs/dbraw/zinc/25/26/40/1350252640.db2.gz AQZITTNKZAKSSC-CYBMUJFWSA-N -1 0 339.348 2.148 20 5 EEBDRM O=C([O-])c1ccc(CC(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC001601356011 1350265167 /nfs/dbraw/zinc/26/51/67/1350265167.db2.gz FJHADDHBPVZUHJ-UHFFFAOYSA-N -1 0 343.339 2.064 20 5 EEBDRM O=C([O-])C1(Cc2cn(-c3ccc(O)cc3[N+](=O)[O-])nn2)CCCCC1 ZINC001601717672 1350346913 /nfs/dbraw/zinc/34/69/13/1350346913.db2.gz IAPOYYMYPNOINJ-UHFFFAOYSA-N -1 0 346.343 2.459 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC001601805907 1350368765 /nfs/dbraw/zinc/36/87/65/1350368765.db2.gz UXTVNGKNDMNNDT-NXEZZACHSA-N -1 0 332.316 2.322 20 5 EEBDRM O=C([O-])C1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC001601825024 1350373567 /nfs/dbraw/zinc/37/35/67/1350373567.db2.gz SXHWFWNXLZCBHG-UHFFFAOYSA-N -1 0 330.699 2.324 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccc(F)cc2O1 ZINC001601847103 1350379606 /nfs/dbraw/zinc/37/96/06/1350379606.db2.gz NGCDAXULKJBGBW-CQSZACIVSA-N -1 0 346.270 2.226 20 5 EEBDRM O=C([O-])CC1CC(OC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC001601946119 1350403082 /nfs/dbraw/zinc/40/30/82/1350403082.db2.gz AENYJOGYQABNAU-UHFFFAOYSA-N -1 0 332.312 2.346 20 5 EEBDRM O=C([O-])CCSCCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001602028650 1350421487 /nfs/dbraw/zinc/42/14/87/1350421487.db2.gz JRRNGRHEQVCIEP-OLZOCXBDSA-N -1 0 338.385 2.022 20 5 EEBDRM O=C([O-])Cc1ccc(NCCc2ccc(CO)cc2)c([N+](=O)[O-])c1 ZINC001602135909 1350447746 /nfs/dbraw/zinc/44/77/46/1350447746.db2.gz AGLQCHCUUAMPOC-UHFFFAOYSA-N -1 0 330.340 2.369 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc([N+](=O)[O-])c1 ZINC001602244008 1350474634 /nfs/dbraw/zinc/47/46/34/1350474634.db2.gz FKILQIZZWXYGCZ-RBSFLKMASA-N -1 0 348.355 2.059 20 5 EEBDRM O=C([O-])c1cc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC001602261362 1350480353 /nfs/dbraw/zinc/48/03/53/1350480353.db2.gz TVZNLSFRWYECLK-UHFFFAOYSA-N -1 0 327.339 2.328 20 5 EEBDRM O=C([O-])c1ccc([C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(F)(F)F)cc1 ZINC001602328189 1350495546 /nfs/dbraw/zinc/49/55/46/1350495546.db2.gz ATBWAJHLHYBEDC-OPRDCNLKSA-N -1 0 333.218 2.197 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])cc1F ZINC001602403055 1350511335 /nfs/dbraw/zinc/51/13/35/1350511335.db2.gz QZLWGPNSKUDWLG-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H](c3ccc(O)cc3)C2)n1 ZINC001602403935 1350511400 /nfs/dbraw/zinc/51/14/00/1350511400.db2.gz WAOIJSTVMDBVKX-NSHDSACASA-N -1 0 329.312 2.388 20 5 EEBDRM O=C([O-])c1cccc(OCc2nccn2CC(F)F)c1[N+](=O)[O-] ZINC001602450028 1350521783 /nfs/dbraw/zinc/52/17/83/1350521783.db2.gz GODSCONLYMOLHI-UHFFFAOYSA-N -1 0 327.243 2.334 20 5 EEBDRM C[C@@H](C(=O)Nc1cccc(CC(=O)[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC001603181240 1350657562 /nfs/dbraw/zinc/65/75/62/1350657562.db2.gz QICWVRREEMDFOH-SNVBAGLBSA-N -1 0 329.312 2.359 20 5 EEBDRM CC(C)(C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001603234776 1350667392 /nfs/dbraw/zinc/66/73/92/1350667392.db2.gz AJGRWQPFAOEBOJ-GFCCVEGCSA-N -1 0 334.372 2.490 20 5 EEBDRM CC(C)[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001603730541 1350753242 /nfs/dbraw/zinc/75/32/42/1350753242.db2.gz KSMMUYGKYOEFOQ-ZDUSSCGKSA-N -1 0 328.752 2.406 20 5 EEBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001603943373 1350809815 /nfs/dbraw/zinc/80/98/15/1350809815.db2.gz WURWIIUQPCOSMP-UHFFFAOYSA-N -1 0 334.288 2.056 20 5 EEBDRM C[C@@](NCc1cnc(Cl)cn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604349447 1350921595 /nfs/dbraw/zinc/92/15/95/1350921595.db2.gz UJTQRMLODOSUCT-AWEZNQCLSA-N -1 0 336.735 2.128 20 5 EEBDRM C[C@@](O)(CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001604376640 1350926383 /nfs/dbraw/zinc/92/63/83/1350926383.db2.gz NBBZIPMXDAHBDQ-OAHLLOKOSA-N -1 0 335.291 2.147 20 5 EEBDRM CCC[C@H](C)CCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001605205704 1351103205 /nfs/dbraw/zinc/10/32/05/1351103205.db2.gz AZNHTYDRESGJBS-JTQLQIEISA-N -1 0 344.389 2.398 20 5 EEBDRM CCOc1cc(COC(=O)c2ccc(C(=O)[O-])n2C)ccc1[N+](=O)[O-] ZINC001605672365 1351214583 /nfs/dbraw/zinc/21/45/83/1351214583.db2.gz VOZXNOSDOZBLAO-UHFFFAOYSA-N -1 0 348.311 2.387 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001605883119 1351246197 /nfs/dbraw/zinc/24/61/97/1351246197.db2.gz KVKAXRHFZOLVCK-CQSZACIVSA-N -1 0 349.295 2.225 20 5 EEBDRM Cc1ncc([N+](=O)[O-])c(OCc2ccc(-c3nn[nH]n3)cc2)c1C ZINC001606092829 1351269075 /nfs/dbraw/zinc/26/90/75/1351269075.db2.gz JTLZNQNWWRQAQE-UHFFFAOYSA-N -1 0 326.316 2.366 20 5 EEBDRM COc1cc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001607181352 1351444398 /nfs/dbraw/zinc/44/43/98/1351444398.db2.gz XERZHXGSXHLTQR-UHFFFAOYSA-N -1 0 345.311 2.013 20 5 EEBDRM COc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC001607303730 1351468867 /nfs/dbraw/zinc/46/88/67/1351468867.db2.gz PVWZTBHJTMVSEC-NTZNESFSSA-N -1 0 348.355 2.319 20 5 EEBDRM C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC001607439221 1351494687 /nfs/dbraw/zinc/49/46/87/1351494687.db2.gz XOHCNOMGGQWSNQ-HQJQHLMTSA-N -1 0 345.149 2.036 20 5 EEBDRM Cc1cc(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)cc([N+](=O)[O-])c1 ZINC001607577808 1351518911 /nfs/dbraw/zinc/51/89/11/1351518911.db2.gz WCZQFXQMWUAGNB-LBPRGKRZSA-N -1 0 344.327 2.063 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCNc3ccccc3C2)n1 ZINC001607589132 1351520651 /nfs/dbraw/zinc/52/06/51/1351520651.db2.gz NYTXECSSHKEMGY-UHFFFAOYSA-N -1 0 328.328 2.429 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCSCCC(=O)[O-] ZINC001607824682 1351566024 /nfs/dbraw/zinc/56/60/24/1351566024.db2.gz FFOKKWIYEHQXPV-UHFFFAOYSA-N -1 0 326.374 2.149 20 5 EEBDRM Cc1cccc(CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001607852646 1351571826 /nfs/dbraw/zinc/57/18/26/1351571826.db2.gz RMWGLMDWDOOEHD-UHFFFAOYSA-N -1 0 343.339 2.330 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001608273228 1351660665 /nfs/dbraw/zinc/66/06/65/1351660665.db2.gz HSTYQGGIYDHNPT-UHFFFAOYSA-N -1 0 345.311 2.283 20 5 EEBDRM CN(Cc1n[n-]c(=O)o1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852188306 1369252688 /nfs/dbraw/zinc/25/26/88/1369252688.db2.gz HJEUEFZARKSLLM-UHFFFAOYSA-N -1 0 343.137 2.078 20 5 EEBDRM Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCC(C)(F)CC1 ZINC001121466091 1371883009 /nfs/dbraw/zinc/88/30/09/1371883009.db2.gz YQDJSBXDZJXVGZ-UHFFFAOYSA-N -1 0 335.339 2.424 20 5 EEBDRM CN(CC(=O)Oc1cccc(CC(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001606088697 1404765817 /nfs/dbraw/zinc/76/58/17/1404765817.db2.gz FFIQTDCFDJAINT-UHFFFAOYSA-N -1 0 344.323 2.264 20 5 EEBDRM CN(C[C@]1(O)CCc2ccccc21)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000843957424 788755240 /nfs/dbraw/zinc/75/52/40/788755240.db2.gz QXEAOMGGKLFZMK-GOSISDBHSA-N -1 0 342.351 2.206 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2COC3(CCCC3)O2)n1 ZINC000844211292 788929718 /nfs/dbraw/zinc/92/97/18/788929718.db2.gz YBRVAGCZZWDSKA-SNVBAGLBSA-N -1 0 337.332 2.094 20 5 EEBDRM COc1ccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1C ZINC000032588738 796403324 /nfs/dbraw/zinc/40/33/24/796403324.db2.gz VYDJJRMBSIJNHT-UHFFFAOYSA-N -1 0 337.357 2.295 20 5 EEBDRM N=c1c(Cl)cc(Cl)c(N)n1-c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503814 797784919 /nfs/dbraw/zinc/78/49/19/797784919.db2.gz YXSBHCUKGXQUCM-UHFFFAOYSA-N -1 0 343.126 2.452 20 5 EEBDRM CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000916794635 797894099 /nfs/dbraw/zinc/89/40/99/797894099.db2.gz FMAKBRLCOPPPPX-UHFFFAOYSA-N -1 0 344.389 2.379 20 5 EEBDRM CC1(S(=O)(=O)[N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000806030997 811727425 /nfs/dbraw/zinc/72/74/25/811727425.db2.gz TXBOJANBORZSFB-UHFFFAOYSA-N -1 0 340.382 2.422 20 5 EEBDRM O=C([O-])CCCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001595052577 951472736 /nfs/dbraw/zinc/47/27/36/951472736.db2.gz GAKFTARSNWBJBY-UHFFFAOYSA-N -1 0 329.312 2.251 20 5 EEBDRM O=C([O-])Cc1ccccc1OS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001595138133 952067318 /nfs/dbraw/zinc/06/73/18/952067318.db2.gz SEOZRMPCYHZLET-UHFFFAOYSA-N -1 0 343.338 2.051 20 5 EEBDRM CC(C)(CCc1noc(-c2cccc(OCC(=O)[O-])c2)n1)[N+](=O)[O-] ZINC001602944408 971916920 /nfs/dbraw/zinc/91/69/20/971916920.db2.gz XNIKPBSTKNKZOH-UHFFFAOYSA-N -1 0 335.316 2.188 20 5 EEBDRM C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)[O-] ZINC001589325064 953894555 /nfs/dbraw/zinc/89/45/55/953894555.db2.gz GPSALAPSOQCNIC-KAOXEZKKSA-N -1 0 332.356 2.410 20 5 EEBDRM O=C([O-])[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001594831775 953974145 /nfs/dbraw/zinc/97/41/45/953974145.db2.gz JKAQRGIEIMWHEL-HIFRSBDPSA-N -1 0 332.356 2.412 20 5 EEBDRM O=C([O-])C1(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)CCSCC1 ZINC001594877505 954390282 /nfs/dbraw/zinc/39/02/82/954390282.db2.gz YQYFYYPQZICQLH-UHFFFAOYSA-N -1 0 343.332 2.375 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000843334417 955639370 /nfs/dbraw/zinc/63/93/70/955639370.db2.gz JFPWBSGBKURFSB-WCBMZHEXSA-N -1 0 326.736 2.431 20 5 EEBDRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc([N+](=O)[O-])c1C ZINC001594050670 957984514 /nfs/dbraw/zinc/98/45/14/957984514.db2.gz KDQFVQMBBGEILH-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COc1cc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC001594050874 957989482 /nfs/dbraw/zinc/98/94/82/957989482.db2.gz QLZPPPRWITWLJQ-OAHLLOKOSA-N -1 0 344.323 2.468 20 5 EEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)CC2 ZINC001594331073 958220008 /nfs/dbraw/zinc/22/00/08/958220008.db2.gz HTPILMKDDMXQAY-CHWSQXEVSA-N -1 0 348.355 2.062 20 5 EEBDRM Cc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001594361071 958449556 /nfs/dbraw/zinc/44/95/56/958449556.db2.gz GGUGBJYSXDHMHP-GWCFXTLKSA-N -1 0 335.360 2.155 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](C(=O)[O-])C(C)C)c2c1 ZINC001594116945 958554501 /nfs/dbraw/zinc/55/45/01/958554501.db2.gz GCJPQLGEUMMZJH-LBPRGKRZSA-N -1 0 333.344 2.342 20 5 EEBDRM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588561149 959097213 /nfs/dbraw/zinc/09/72/13/959097213.db2.gz PVXUXGUQQXTTQY-OLZOCXBDSA-N -1 0 349.387 2.499 20 5 EEBDRM CN(C)c1ccc(COC(=O)c2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001604090720 972489287 /nfs/dbraw/zinc/48/92/87/972489287.db2.gz DREDNPFUMTZCPC-UHFFFAOYSA-N -1 0 345.311 2.111 20 5 EEBDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC001321950959 961005196 /nfs/dbraw/zinc/00/51/96/961005196.db2.gz SXJAXTKHDBVNOS-AWEZNQCLSA-N -1 0 329.312 2.244 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[nH]n1 ZINC001605840187 972577920 /nfs/dbraw/zinc/57/79/20/972577920.db2.gz MOSMLPPQNYNQAS-UHFFFAOYSA-N -1 0 328.643 2.061 20 5 EEBDRM C[C@@H](/C=C/C(=O)[O-])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001592193876 977155880 /nfs/dbraw/zinc/15/58/80/977155880.db2.gz RQWIUVRSNIAWIO-MAHOQKISSA-N -1 0 342.735 2.163 20 5 EEBDRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001592202458 977219211 /nfs/dbraw/zinc/21/92/11/977219211.db2.gz CPSKXFLYAHPPEC-KVFVURRZSA-N -1 0 343.133 2.116 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@](C)(C(=O)[O-])C1 ZINC000841495283 979301238 /nfs/dbraw/zinc/30/12/38/979301238.db2.gz MQSKOEAJLRUZDV-AWEZNQCLSA-N -1 0 342.735 2.336 20 5 EEBDRM Nc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000851617758 979542005 /nfs/dbraw/zinc/54/20/05/979542005.db2.gz FILYNXHKIZINLQ-MBNYWOFBSA-N -1 0 347.371 2.283 20 5 EEBDRM CC[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H]1C ZINC001595464417 981149625 /nfs/dbraw/zinc/14/96/25/981149625.db2.gz MYUOJPRXUNOKGU-ZJUUUORDSA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001594821235 981968895 /nfs/dbraw/zinc/96/88/95/981968895.db2.gz SGMPUNRDMRNETO-MRXNPFEDSA-N -1 0 346.343 2.358 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594901817 982358625 /nfs/dbraw/zinc/35/86/25/982358625.db2.gz JSINPFJYNXUOBA-SDBXPKJASA-N -1 0 344.751 2.243 20 5 EEBDRM CC[C@H](C)C[C@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C(=O)[O-] ZINC001594950090 982656917 /nfs/dbraw/zinc/65/69/17/982656917.db2.gz SQKFJYDVSVIKBX-IUCAKERBSA-N -1 0 326.353 2.061 20 5 EEBDRM CC[C@H](C)C[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OC ZINC001594953990 982683888 /nfs/dbraw/zinc/68/38/88/982683888.db2.gz XXIPBGQEUGIQMX-GZMMTYOYSA-N -1 0 339.348 2.386 20 5 EEBDRM CCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001595832497 982727475 /nfs/dbraw/zinc/72/74/75/982727475.db2.gz HDCGGSGUSWILJH-LLVKDONJSA-N -1 0 344.389 2.085 20 5 EEBDRM C[C@@H](C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC001589444597 986800404 /nfs/dbraw/zinc/80/04/04/986800404.db2.gz NPCSZMNONRCIBY-SNVBAGLBSA-N -1 0 346.343 2.353 20 5 EEBDRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])nc1)c1ccccc1[N+](=O)[O-] ZINC001589572965 987346379 /nfs/dbraw/zinc/34/63/79/987346379.db2.gz ZUJLRPHVQDHUNT-UHFFFAOYSA-N -1 0 343.339 2.282 20 5 EEBDRM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001589579771 987359335 /nfs/dbraw/zinc/35/93/35/987359335.db2.gz KJCHUIYGQAOLLC-FKGLVLAHSA-N -1 0 346.383 2.488 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001599822601 988540441 /nfs/dbraw/zinc/54/04/41/988540441.db2.gz MHQDTGYZPZCFNJ-PSLIRLAXSA-N -1 0 336.369 2.396 20 5 EEBDRM CC(C)(CCC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)[N+](=O)[O-] ZINC001590656100 990352440 /nfs/dbraw/zinc/35/24/40/990352440.db2.gz IHASCPLAZAYSNK-VTWZXRTESA-N -1 0 344.433 2.067 20 5 EEBDRM CC(C)CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C(=O)[O-] ZINC001591285156 992222761 /nfs/dbraw/zinc/22/27/61/992222761.db2.gz NAKDJNUBOYDGEU-UHFFFAOYSA-N -1 0 348.359 2.433 20 5 EEBDRM C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])c1ccc[nH]1 ZINC001593170754 994028132 /nfs/dbraw/zinc/02/81/32/994028132.db2.gz OOVMNJWOXRGFOW-ZJUUUORDSA-N -1 0 346.343 2.299 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NCC2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171026 994028642 /nfs/dbraw/zinc/02/86/42/994028642.db2.gz QOIYIDATPSRXKV-SNVBAGLBSA-N -1 0 335.360 2.400 20 5 EEBDRM C[C@H](c1ccccc1)[C@H](O)CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593707739 996202636 /nfs/dbraw/zinc/20/26/36/996202636.db2.gz ZAWWQRQIDDJFJR-QMTHXVAHSA-N -1 0 331.328 2.265 20 5 EEBDRM C[C@]1(Br)C[C@H]1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593739874 996354802 /nfs/dbraw/zinc/35/48/02/996354802.db2.gz MBDXXUBMODCXOJ-UFBFGSQYSA-N -1 0 344.117 2.372 20 5 EEBDRM COC1(C(F)(F)F)CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001599086067 997099423 /nfs/dbraw/zinc/09/94/23/997099423.db2.gz CQVXPDDDQKBIPW-UHFFFAOYSA-N -1 0 334.250 2.369 20 5 EEBDRM COC(=O)c1cc(C)nc(N[C@H]2CC[C@@H](CC(=O)[O-])C2)c1[N+](=O)[O-] ZINC001598927852 997684036 /nfs/dbraw/zinc/68/40/36/997684036.db2.gz TXPDNPJCCBWSMI-ZJUUUORDSA-N -1 0 337.332 2.140 20 5 EEBDRM O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000456337396 303977603 /nfs/dbraw/zinc/97/76/03/303977603.db2.gz WVIQGANRRSONLE-LRDDRELGSA-N -1 0 343.339 2.346 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nnc(C(C)C)o1 ZINC000187040429 236102296 /nfs/dbraw/zinc/10/22/96/236102296.db2.gz FZYJXHAQCISTSE-UHFFFAOYSA-N -1 0 326.334 2.210 20 5 EEBDRM CC1(C)CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000263509466 245434166 /nfs/dbraw/zinc/43/41/66/245434166.db2.gz BYYJXVCHKXEVJP-UHFFFAOYSA-N -1 0 336.344 2.323 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)/C=C/C(C)(C)C ZINC000492036524 246271227 /nfs/dbraw/zinc/27/12/27/246271227.db2.gz XFAKZFVVGRCAHN-CMDGGOBGSA-N -1 0 326.374 2.310 20 5 EEBDRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000026893672 304207023 /nfs/dbraw/zinc/20/70/23/304207023.db2.gz BSPWYNAWCWNYOP-OAHLLOKOSA-N -1 0 326.308 2.247 20 5 EEBDRM O=C(NCCOc1ncccc1Cl)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158198141 255792326 /nfs/dbraw/zinc/79/23/26/255792326.db2.gz CRGYNEYARATCPH-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM CCCCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000194801063 256007810 /nfs/dbraw/zinc/00/78/10/256007810.db2.gz UOLQPQOONZLZIZ-UHFFFAOYSA-N -1 0 340.361 2.430 20 5 EEBDRM COCCCN(Cc1ccncc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183581655 533285385 /nfs/dbraw/zinc/28/53/85/533285385.db2.gz YTUPDHWLKGNGGL-UHFFFAOYSA-N -1 0 345.355 2.374 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC000263102563 152374001 /nfs/dbraw/zinc/37/40/01/152374001.db2.gz BBPHOIITHSPUCM-CABZTGNLSA-N -1 0 336.344 2.095 20 5 EEBDRM CCC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)(C(=O)[O-])CC1 ZINC000262228740 160446144 /nfs/dbraw/zinc/44/61/44/160446144.db2.gz UZUYVCCVSGZVEC-UHFFFAOYSA-N -1 0 335.360 2.330 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2ccccc2F)CC1 ZINC000130323708 292371578 /nfs/dbraw/zinc/37/15/78/292371578.db2.gz HFMYHDVCYSHGNW-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000263392936 160462218 /nfs/dbraw/zinc/46/22/18/160462218.db2.gz DBPGQXVWXAZLBX-NKWVEPMBSA-N -1 0 334.250 2.453 20 5 EEBDRM O=C([O-])CN(C(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000324363474 160540501 /nfs/dbraw/zinc/54/05/01/160540501.db2.gz ISPKDNDEMGMXAK-UHFFFAOYSA-N -1 0 330.296 2.091 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000236861456 286806676 /nfs/dbraw/zinc/80/66/76/286806676.db2.gz UECGXILUCGEGMZ-YGRLFVJLSA-N -1 0 346.343 2.010 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c([N+](=O)[O-])n1 ZINC000342429043 161064834 /nfs/dbraw/zinc/06/48/34/161064834.db2.gz DJORFUYKGLEWLW-UHFFFAOYSA-N -1 0 347.356 2.160 20 5 EEBDRM C[C@](O)(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCOCC1 ZINC000345319813 161291691 /nfs/dbraw/zinc/29/16/91/161291691.db2.gz BSGSOJXVGYEYBX-CQSZACIVSA-N -1 0 344.751 2.070 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)ccc1[N+](=O)[O-] ZINC000345680734 161322415 /nfs/dbraw/zinc/32/24/15/161322415.db2.gz AGXQXNMVUBZDEW-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000359846152 164184410 /nfs/dbraw/zinc/18/44/10/164184410.db2.gz GJSCGULPZJUKTH-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM O=C([O-])COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000362797817 164799263 /nfs/dbraw/zinc/79/92/63/164799263.db2.gz MWNMOEFISJIBJB-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000365047694 165361452 /nfs/dbraw/zinc/36/14/52/165361452.db2.gz YBHHVDNWQSZDOS-UHFFFAOYSA-N -1 0 336.373 2.237 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000370115066 166397481 /nfs/dbraw/zinc/39/74/81/166397481.db2.gz WCCOSOUHFAEHJQ-HNNXBMFYSA-N -1 0 341.323 2.122 20 5 EEBDRM NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000181999545 274010316 /nfs/dbraw/zinc/01/03/16/274010316.db2.gz NNSGLHLEUFNHPB-UHFFFAOYSA-N -1 0 335.703 2.305 20 5 EEBDRM CC(C)(C)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491890440 278330414 /nfs/dbraw/zinc/33/04/14/278330414.db2.gz XTNUHZLRYQSAGC-TWGQIWQCSA-N -1 0 326.374 2.100 20 5 EEBDRM CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262897009 279895290 /nfs/dbraw/zinc/89/52/90/279895290.db2.gz PBXJDIKJMQUYQX-PRHODGIISA-N -1 0 344.751 2.241 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000235700285 300784977 /nfs/dbraw/zinc/78/49/77/300784977.db2.gz KLFZREQINBOJDJ-NSHDSACASA-N -1 0 330.138 2.053 20 5 EEBDRM Cc1nc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])no1 ZINC000368930295 302624983 /nfs/dbraw/zinc/62/49/83/302624983.db2.gz KQSRNAOTEBHDHD-LBPRGKRZSA-N -1 0 332.316 2.359 20 5 EEBDRM CC(C)(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCC(=O)[O-] ZINC000320902888 311595994 /nfs/dbraw/zinc/59/59/94/311595994.db2.gz DWLPBIWBOGNJTL-UHFFFAOYSA-N -1 0 344.389 2.154 20 5 EEBDRM Cc1c(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000398892258 312449680 /nfs/dbraw/zinc/44/96/80/312449680.db2.gz ZOKKLQOTLBKFNS-GXFFZTMASA-N -1 0 335.360 2.155 20 5 EEBDRM C[C@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000416399952 313213126 /nfs/dbraw/zinc/21/31/26/313213126.db2.gz PWSJUSMWMHWEQL-LLVKDONJSA-N -1 0 331.328 2.478 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@H](CC)OC ZINC000421165173 314057955 /nfs/dbraw/zinc/05/79/55/314057955.db2.gz LMTTYFXHMIGWGW-NSHDSACASA-N -1 0 332.378 2.160 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)c([N+](=O)[O-])n1 ZINC000435719465 314919861 /nfs/dbraw/zinc/91/98/61/314919861.db2.gz MTRNXSPJZYMPFB-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c([N+](=O)[O-])n1 ZINC000435730645 314920969 /nfs/dbraw/zinc/92/09/69/314920969.db2.gz YQFOHXBAHOVUBP-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM COc1ccc(OCCN(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436628085 314981424 /nfs/dbraw/zinc/98/14/24/314981424.db2.gz OBTHZMYLOGYVKA-UHFFFAOYSA-N -1 0 346.339 2.460 20 5 EEBDRM CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436671713 314986304 /nfs/dbraw/zinc/98/63/04/314986304.db2.gz BLFBLEMTVNFOTH-UHFFFAOYSA-N -1 0 330.296 2.301 20 5 EEBDRM COc1ccc([C@@H](CCO)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436900203 315011376 /nfs/dbraw/zinc/01/13/76/315011376.db2.gz MKXOZWVMOWNBKI-OAHLLOKOSA-N -1 0 346.339 2.163 20 5 EEBDRM CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436920407 315012353 /nfs/dbraw/zinc/01/23/53/315012353.db2.gz RNNGIBLDEUSKOF-GFCCVEGCSA-N -1 0 344.323 2.212 20 5 EEBDRM COCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436956139 315016148 /nfs/dbraw/zinc/01/61/48/315016148.db2.gz OXOVXMVDFBZAJR-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM O=C(Nc1cccc(Cn2cncn2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436965113 315017392 /nfs/dbraw/zinc/01/73/92/315017392.db2.gz KHMUSSQWQOLCEC-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1NC(N)=O ZINC000436972688 315018961 /nfs/dbraw/zinc/01/89/61/315018961.db2.gz PGCGIBMHDDJHEB-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436986531 315019938 /nfs/dbraw/zinc/01/99/38/315019938.db2.gz GFRLVLKSIIYUEC-OAHLLOKOSA-N -1 0 344.323 2.287 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000437002264 315022772 /nfs/dbraw/zinc/02/27/72/315022772.db2.gz PVMCRNMZBRCHSA-RYUDHWBXSA-N -1 0 349.387 2.114 20 5 EEBDRM C[C@H]1C[C@H](CO)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000517374635 316664626 /nfs/dbraw/zinc/66/46/26/316664626.db2.gz KMDJMFVHSIKOKP-IUCAKERBSA-N -1 0 328.752 2.044 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000521421831 316912696 /nfs/dbraw/zinc/91/26/96/316912696.db2.gz WHKSRTCVTANEPI-UHFFFAOYSA-N -1 0 340.361 2.286 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c([N+](=O)[O-])n1 ZINC000535991528 317987503 /nfs/dbraw/zinc/98/75/03/317987503.db2.gz JBPWYJXFCMDYSY-UHFFFAOYSA-N -1 0 349.372 2.104 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000563213952 318984790 /nfs/dbraw/zinc/98/47/90/318984790.db2.gz JKMCXKGZMLGQDN-INIZCTEOSA-N -1 0 336.344 2.115 20 5 EEBDRM C[C@H]1OCC[C@]12CN(c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000563214491 318985181 /nfs/dbraw/zinc/98/51/81/318985181.db2.gz WQKZASIJXOXMPY-UVWXRNBGSA-N -1 0 336.344 2.066 20 5 EEBDRM Cc1cccc(C[C@@H](CO)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000566291105 319270122 /nfs/dbraw/zinc/27/01/22/319270122.db2.gz OOIIHAYHPLKOOK-LBPRGKRZSA-N -1 0 331.328 2.012 20 5 EEBDRM CN(CCOCC1CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000570634445 319683204 /nfs/dbraw/zinc/68/32/04/319683204.db2.gz XLANBDUIRBRCAY-UHFFFAOYSA-N -1 0 328.752 2.452 20 5 EEBDRM CC(C)[C@H]1CCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572528928 319854172 /nfs/dbraw/zinc/85/41/72/319854172.db2.gz CJJRLDGPFLZXQI-LLVKDONJSA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000574316463 320015155 /nfs/dbraw/zinc/01/51/55/320015155.db2.gz HUFMEUYHQXFHFK-JTQLQIEISA-N -1 0 342.373 2.022 20 5 EEBDRM COCCn1cc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cn1 ZINC000576827035 320207674 /nfs/dbraw/zinc/20/76/74/320207674.db2.gz YLNFXOKZNKBYOE-UHFFFAOYSA-N -1 0 334.332 2.056 20 5 EEBDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000577497417 320259005 /nfs/dbraw/zinc/25/90/05/320259005.db2.gz YPNCEIWVJHMZKB-SNVBAGLBSA-N -1 0 348.384 2.465 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H](Nc3ccccc3)C2)n1 ZINC000577518460 320260698 /nfs/dbraw/zinc/26/06/98/320260698.db2.gz UZZVGXAQANYSTH-LBPRGKRZSA-N -1 0 328.328 2.379 20 5 EEBDRM Cc1noc(C2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CC2)n1 ZINC000578445690 320315198 /nfs/dbraw/zinc/31/51/98/320315198.db2.gz ONAALURIHMTYIX-UHFFFAOYSA-N -1 0 332.316 2.368 20 5 EEBDRM COCCCOC1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000580556351 324087331 /nfs/dbraw/zinc/08/73/31/324087331.db2.gz MMRKSXCOPSLNNX-UHFFFAOYSA-N -1 0 338.360 2.315 20 5 EEBDRM CC(C)C(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000581135292 324193092 /nfs/dbraw/zinc/19/30/92/324193092.db2.gz MWRYUESAJCDWTQ-UHFFFAOYSA-N -1 0 330.362 2.006 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3ccccn3n2)c1[N+](=O)[O-] ZINC000568118717 468276449 /nfs/dbraw/zinc/27/64/49/468276449.db2.gz PWADWDSLIRUWGO-UHFFFAOYSA-N -1 0 346.368 2.660 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000000560019 462570661 /nfs/dbraw/zinc/57/06/61/462570661.db2.gz OZLZJRFZSOOIMN-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000128091416 462608478 /nfs/dbraw/zinc/60/84/78/462608478.db2.gz FCTGROGEQUUHTB-CQSZACIVSA-N -1 0 328.324 2.231 20 5 EEBDRM CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546498 462961033 /nfs/dbraw/zinc/96/10/33/462961033.db2.gz OACIUHHRTGJTEJ-HNNXBMFYSA-N -1 0 341.323 2.217 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1CC(F)(F)F ZINC000156006631 462968728 /nfs/dbraw/zinc/96/87/28/462968728.db2.gz PQDULEMCMJDBQY-SECBINFHSA-N -1 0 347.293 2.009 20 5 EEBDRM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032590387 463382096 /nfs/dbraw/zinc/38/20/96/463382096.db2.gz BJXXHEQCQBPIKT-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000032630739 463384570 /nfs/dbraw/zinc/38/45/70/463384570.db2.gz WNCAXMQEJMJNQU-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000083955279 463568694 /nfs/dbraw/zinc/56/86/94/463568694.db2.gz YYXGZCHVICREGP-UHFFFAOYSA-N -1 0 328.375 2.118 20 5 EEBDRM Cc1cc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000261751624 463847944 /nfs/dbraw/zinc/84/79/44/463847944.db2.gz UWIBHOQZLPYTNN-CYBMUJFWSA-N -1 0 346.261 2.382 20 5 EEBDRM COc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1[N+](=O)[O-] ZINC000261779255 463857817 /nfs/dbraw/zinc/85/78/17/463857817.db2.gz XRFFLEOFWISZFN-INIZCTEOSA-N -1 0 336.344 2.176 20 5 EEBDRM COC[C@](C)(NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262134187 463954800 /nfs/dbraw/zinc/95/48/00/463954800.db2.gz RASMMOHWOSCJDM-INIZCTEOSA-N -1 0 338.360 2.112 20 5 EEBDRM COC[C@@](C)(NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262134189 463955416 /nfs/dbraw/zinc/95/54/16/463955416.db2.gz RASMMOHWOSCJDM-MRXNPFEDSA-N -1 0 338.360 2.112 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000262257598 463985237 /nfs/dbraw/zinc/98/52/37/463985237.db2.gz QNFLVHQMPRJTGA-SUMWQHHRSA-N -1 0 332.356 2.241 20 5 EEBDRM CC[C@](C)(NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262415785 464021259 /nfs/dbraw/zinc/02/12/59/464021259.db2.gz JXVYJUPOQQFTLC-XPTSAGLGSA-N -1 0 326.374 2.445 20 5 EEBDRM CCCc1[nH]nc(C(=O)Nc2nc(Cl)ccc2[O-])c1[N+](=O)[O-] ZINC000188358450 464262308 /nfs/dbraw/zinc/26/23/08/464262308.db2.gz GEZKKBLPSBUAPX-UHFFFAOYSA-N -1 0 325.712 2.277 20 5 EEBDRM O=C([O-])C1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000237996143 464416899 /nfs/dbraw/zinc/41/68/99/464416899.db2.gz HSUOZPCSSNAONW-UHFFFAOYSA-N -1 0 347.352 2.455 20 5 EEBDRM Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000181214238 464459001 /nfs/dbraw/zinc/45/90/01/464459001.db2.gz NGWSGPZSCVTYAX-OAHLLOKOSA-N -1 0 328.324 2.329 20 5 EEBDRM C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C(=O)[O-])C1 ZINC000568893434 468403177 /nfs/dbraw/zinc/40/31/77/468403177.db2.gz KNIFMRVFTAVWRS-ZWNOBZJWSA-N -1 0 346.343 2.330 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000183889526 464923415 /nfs/dbraw/zinc/92/34/15/464923415.db2.gz XZFAKBZMIGMHBQ-UHFFFAOYSA-N -1 0 325.321 2.379 20 5 EEBDRM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc([N+](=O)[O-])s1 ZINC000337412931 465354146 /nfs/dbraw/zinc/35/41/46/465354146.db2.gz PYQRGIPFYOCRMU-UHFFFAOYSA-N -1 0 333.354 2.822 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000337747193 465554270 /nfs/dbraw/zinc/55/42/70/465554270.db2.gz HCXDZSPETIRXHY-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM COc1ccccc1CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000344531802 465647686 /nfs/dbraw/zinc/64/76/86/465647686.db2.gz FENCTMVHUNTIQD-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM Cn1ccnc1C(=O)c1ccc(NCCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000591326921 468447915 /nfs/dbraw/zinc/44/79/15/468447915.db2.gz LHFMMZLFSRTDLP-UHFFFAOYSA-N -1 0 346.343 2.226 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000299501642 465777392 /nfs/dbraw/zinc/77/73/92/465777392.db2.gz KTUCBWDOMIDEHW-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM CCc1csc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000357523513 466101379 /nfs/dbraw/zinc/10/13/79/466101379.db2.gz VEBOJOOQBMZGOW-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM CCCc1nc(=NC(=O)c2cc(OCC)ccc2[N+](=O)[O-])s[n-]1 ZINC000338466846 466150221 /nfs/dbraw/zinc/15/02/21/466150221.db2.gz VGNKAFXMZWUTSB-UHFFFAOYSA-N -1 0 336.373 2.472 20 5 EEBDRM CN1CCOc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc21 ZINC000368438693 466636206 /nfs/dbraw/zinc/63/62/06/466636206.db2.gz MYAHSGMEWQPJAO-UHFFFAOYSA-N -1 0 329.312 2.381 20 5 EEBDRM COC(=O)C12CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])(CC1)C2 ZINC000365295320 466770380 /nfs/dbraw/zinc/77/03/80/466770380.db2.gz ZUJKDVIWMVUUTP-UHFFFAOYSA-N -1 0 334.328 2.362 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000435727873 467491645 /nfs/dbraw/zinc/49/16/45/467491645.db2.gz GUGNYLJERBVSOE-UHFFFAOYSA-N -1 0 330.753 2.265 20 5 EEBDRM COc1cccc2c1CCN(c1nc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC000570573707 468659182 /nfs/dbraw/zinc/65/91/82/468659182.db2.gz YVIXBWZXWZDLJH-UHFFFAOYSA-N -1 0 343.339 2.302 20 5 EEBDRM O=C(NCc1cccnc1N1CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000597939840 468718451 /nfs/dbraw/zinc/71/84/51/468718451.db2.gz COAAHIAKKPXPLG-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000583757653 468752180 /nfs/dbraw/zinc/75/21/80/468752180.db2.gz AIEAJFKVVHDRDC-LLVKDONJSA-N -1 0 340.763 2.408 20 5 EEBDRM CCc1ccc(S(=O)(=O)N[C@@H](CC)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000571527100 468802142 /nfs/dbraw/zinc/80/21/42/468802142.db2.gz GKBNIWQWADKARG-NSHDSACASA-N -1 0 344.389 2.079 20 5 EEBDRM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000584219378 468822953 /nfs/dbraw/zinc/82/29/53/468822953.db2.gz SQVIDIQTDDHZMW-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](c3cccnc3)C2)n1 ZINC000592977577 468832380 /nfs/dbraw/zinc/83/23/80/468832380.db2.gz WCBGBENHGOJJQC-BXUZGUMPSA-N -1 0 344.327 2.415 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCO[C@H](c3ccco3)C2)n1 ZINC000592977049 468833047 /nfs/dbraw/zinc/83/30/47/468833047.db2.gz YZPKKXBEUJFYMP-LBPRGKRZSA-N -1 0 333.300 2.167 20 5 EEBDRM CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000598479689 468880167 /nfs/dbraw/zinc/88/01/67/468880167.db2.gz HOQDFZWJDIYMFC-LRDDRELGSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C([O-])C1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCOCC1 ZINC000593327046 468940157 /nfs/dbraw/zinc/94/01/57/468940157.db2.gz NYIFIIOAAZMHLQ-UHFFFAOYSA-N -1 0 331.328 2.436 20 5 EEBDRM CN(CC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000598662183 468950547 /nfs/dbraw/zinc/95/05/47/468950547.db2.gz RDVFWCXPQGYUJS-MRXNPFEDSA-N -1 0 349.387 2.181 20 5 EEBDRM CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000614897813 469086813 /nfs/dbraw/zinc/08/68/13/469086813.db2.gz BJYOHOSBGVVHBI-CYBMUJFWSA-N -1 0 348.277 2.484 20 5 EEBDRM CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](C)C(=O)[O-] ZINC000596002441 469112690 /nfs/dbraw/zinc/11/26/90/469112690.db2.gz ZCEONGZMHVBKQA-LBPRGKRZSA-N -1 0 349.387 2.133 20 5 EEBDRM C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H](C(=O)[O-])O1 ZINC000593756093 469125950 /nfs/dbraw/zinc/12/59/50/469125950.db2.gz VPMGWMPOOXCZKW-NOZJJQNGSA-N -1 0 349.368 2.397 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000611463902 469255186 /nfs/dbraw/zinc/25/51/86/469255186.db2.gz DJYWUTOMEGJEOU-HNNXBMFYSA-N -1 0 348.286 2.055 20 5 EEBDRM COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000611464037 469255332 /nfs/dbraw/zinc/25/53/32/469255332.db2.gz SRWJAASABBFYSM-CQSZACIVSA-N -1 0 348.286 2.298 20 5 EEBDRM O=C(NCCN1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613906739 469814285 /nfs/dbraw/zinc/81/42/85/469814285.db2.gz GKZVBQFSTPWRBN-UHFFFAOYSA-N -1 0 327.340 2.046 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000609092418 469890561 /nfs/dbraw/zinc/89/05/61/469890561.db2.gz YJFXIZSOTAHPSP-UHFFFAOYSA-N -1 0 331.328 2.050 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000158436873 534533319 /nfs/dbraw/zinc/53/33/19/534533319.db2.gz AAMHGJJPDMHTBF-GFCCVEGCSA-N -1 0 332.316 2.084 20 5 EEBDRM COc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC000261638038 536690035 /nfs/dbraw/zinc/69/00/35/536690035.db2.gz IAKXMWMODCRJJP-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM CCS(=O)(=O)[N-]C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000732607044 577185808 /nfs/dbraw/zinc/18/58/08/577185808.db2.gz JANVZWLBJASISE-UHFFFAOYSA-N -1 0 349.368 2.418 20 5 EEBDRM CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000774083197 577382255 /nfs/dbraw/zinc/38/22/55/577382255.db2.gz MFXWWOKEVMYYJH-VIFPVBQESA-N -1 0 332.403 2.288 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](O)c1cccc(F)c1 ZINC000777535225 577480774 /nfs/dbraw/zinc/48/07/74/577480774.db2.gz WZFISYRXUWEPEJ-VFZGTOFNSA-N -1 0 334.303 2.291 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccsc2)c1 ZINC000766452298 577519575 /nfs/dbraw/zinc/51/95/75/577519575.db2.gz CABJLURDCDQSQS-UHFFFAOYSA-N -1 0 326.355 2.083 20 5 EEBDRM CCCC1(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000762741048 577706832 /nfs/dbraw/zinc/70/68/32/577706832.db2.gz XVMYDNZISNOFSQ-UHFFFAOYSA-N -1 0 340.401 2.164 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755103731 577819639 /nfs/dbraw/zinc/81/96/39/577819639.db2.gz NKDIITQAGNUYDB-UHFFFAOYSA-N -1 0 347.283 2.147 20 5 EEBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)CC2CCC2)cc1[N+](=O)[O-] ZINC000755114046 577819830 /nfs/dbraw/zinc/81/98/30/577819830.db2.gz BLZAIYMPORHWQF-UHFFFAOYSA-N -1 0 344.414 2.176 20 5 EEBDRM COCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000745493207 577914376 /nfs/dbraw/zinc/91/43/76/577914376.db2.gz QFCRHJMNBPSEEH-UHFFFAOYSA-N -1 0 345.311 2.138 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738888563 578030071 /nfs/dbraw/zinc/03/00/71/578030071.db2.gz LIRWRBCYDQEANO-UHFFFAOYSA-N -1 0 334.288 2.047 20 5 EEBDRM O=C(OCC1CCN(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000741116373 578112981 /nfs/dbraw/zinc/11/29/81/578112981.db2.gz RHDAXSBPHWHHEO-UHFFFAOYSA-N -1 0 335.282 2.354 20 5 EEBDRM C[C@H](CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1)C(=O)[O-] ZINC000736561968 578211447 /nfs/dbraw/zinc/21/14/47/578211447.db2.gz HOKAMSFNCBIZAP-SECBINFHSA-N -1 0 331.328 2.401 20 5 EEBDRM CC1(C)CN(CCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000736736186 578221326 /nfs/dbraw/zinc/22/13/26/578221326.db2.gz YGFXAFXDBFQHQU-XQRVVYSFSA-N -1 0 349.387 2.215 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000736852419 578227031 /nfs/dbraw/zinc/22/70/31/578227031.db2.gz XSBGQVVMPHLPQG-LBPRGKRZSA-N -1 0 331.328 2.443 20 5 EEBDRM CC[C@H](C)CN(C)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736880599 578228247 /nfs/dbraw/zinc/22/82/47/578228247.db2.gz SBRXZTJVHVAZEE-WDEREUQCSA-N -1 0 337.376 2.280 20 5 EEBDRM CCc1nnc([C@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000737285926 578248132 /nfs/dbraw/zinc/24/81/32/578248132.db2.gz WMGPSIOGYOGYQJ-ZETCQYMHSA-N -1 0 335.272 2.156 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000821546075 598159695 /nfs/dbraw/zinc/15/96/95/598159695.db2.gz WJJYSTPIKUBFIX-UHFFFAOYSA-N -1 0 329.264 2.333 20 5 EEBDRM CN(CC(=O)Nc1cccc(C(=O)[O-])c1O)c1ccccc1[N+](=O)[O-] ZINC000830682016 600706953 /nfs/dbraw/zinc/70/69/53/600706953.db2.gz LMUNOSJMEZFAFV-UHFFFAOYSA-N -1 0 345.311 2.074 20 5 EEBDRM CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1[N+](=O)[O-] ZINC000830064862 601315260 /nfs/dbraw/zinc/31/52/60/601315260.db2.gz XRJSFKDKDMDGTI-UHFFFAOYSA-N -1 0 333.300 2.283 20 5 EEBDRM O=C([O-])c1cccc(OCc2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)c1 ZINC000833331810 601365371 /nfs/dbraw/zinc/36/53/71/601365371.db2.gz DFJXRORZIHISOG-UHFFFAOYSA-N -1 0 330.256 2.250 20 5 EEBDRM COC(=O)N1CCC(Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000831203762 601545491 /nfs/dbraw/zinc/54/54/91/601545491.db2.gz KTKLNXWEGUQYQD-UHFFFAOYSA-N -1 0 337.332 2.244 20 5 EEBDRM Cc1nn(C)c(C(=O)OCc2cc(C(=O)[O-])sc2C)c1[N+](=O)[O-] ZINC000833012824 601725158 /nfs/dbraw/zinc/72/51/58/601725158.db2.gz HIEUKENWMUELLL-UHFFFAOYSA-N -1 0 339.329 2.062 20 5 EEBDRM Cc1cccc(OS(=O)(=O)c2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC000833753249 604530278 /nfs/dbraw/zinc/53/02/78/604530278.db2.gz IBYPJCPQCWOODE-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)NCc2cccc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000820057538 604934389 /nfs/dbraw/zinc/93/43/89/604934389.db2.gz LELZRHZCRJFLSI-UHFFFAOYSA-N -1 0 332.316 2.070 20 5 EEBDRM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833618276 605191123 /nfs/dbraw/zinc/19/11/23/605191123.db2.gz NCEJAQSBNHJBJU-GWCFXTLKSA-N -1 0 347.371 2.352 20 5 EEBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000261756614 682028529 /nfs/dbraw/zinc/02/85/29/682028529.db2.gz VGODILMTUJNJMZ-GFCCVEGCSA-N -1 0 336.344 2.220 20 5 EEBDRM O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000162301755 683957147 /nfs/dbraw/zinc/95/71/47/683957147.db2.gz GLIWUHDJTFJPON-CYBMUJFWSA-N -1 0 336.731 2.417 20 5 EEBDRM O=C(Nc1ccc(-n2ccnc2)nc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000162376768 684586327 /nfs/dbraw/zinc/58/63/27/684586327.db2.gz WWNAVVGJKJDCPQ-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000263169915 689420744 /nfs/dbraw/zinc/42/07/44/689420744.db2.gz JGFOBFRXQDQIET-GXSJLCMTSA-N -1 0 333.344 2.027 20 5 EEBDRM C[C@@H](CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1)C(=O)[O-] ZINC000237442957 691146826 /nfs/dbraw/zinc/14/68/26/691146826.db2.gz SRGKIDSWCGNHDS-JTQLQIEISA-N -1 0 345.355 2.330 20 5 EEBDRM O=C(NC1CCC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000825764005 1199122881 /nfs/dbraw/zinc/12/28/81/1199122881.db2.gz GXOBTAHOHYDIKF-UHFFFAOYSA-N -1 0 336.735 2.422 20 5 EEBDRM O=C(NCc1cccc2c1OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779663205 1210724214 /nfs/dbraw/zinc/72/42/14/1210724214.db2.gz XVBBIJIIBGWFTG-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1-n1cccn1 ZINC000092545868 1214564736 /nfs/dbraw/zinc/56/47/36/1214564736.db2.gz VIDAKNUGMCMRQD-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000119963458 1229638478 /nfs/dbraw/zinc/63/84/78/1229638478.db2.gz INKKERGNNUHVCH-UHFFFAOYSA-N -1 0 332.765 2.243 20 5 EEBDRM CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886597 1277380884 /nfs/dbraw/zinc/38/08/84/1277380884.db2.gz ZQYAHMBQALSGDY-IUCAKERBSA-N -1 0 332.353 2.221 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001216484461 1297189207 /nfs/dbraw/zinc/18/92/07/1297189207.db2.gz IIAVCRLUGZENLX-UHFFFAOYSA-N -1 0 333.275 2.292 20 5 EEBDRM COC(=O)[C@@H]1CCC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228604398 1302333837 /nfs/dbraw/zinc/33/38/37/1302333837.db2.gz RKSVUJSOPOLMER-NXEZZACHSA-N -1 0 337.332 2.078 20 5 EEBDRM CCC[C@@H](CC(=O)OC)Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228814550 1302463627 /nfs/dbraw/zinc/46/36/27/1302463627.db2.gz OPYXHZJIMFMYAW-VIFPVBQESA-N -1 0 341.316 2.198 20 5 EEBDRM COCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001321880940 1333172676 /nfs/dbraw/zinc/17/26/76/1333172676.db2.gz ZUGCHBSDQYPMPW-UHFFFAOYSA-N -1 0 340.760 2.091 20 5 EEBDRM O=c1oc2cc(O)ccc2c2cc(OC[C@@H]3COCO3)c(O)cc12 ZINC001229803971 1302950324 /nfs/dbraw/zinc/95/03/24/1302950324.db2.gz UQYWKWLVPMBNNO-JTQLQIEISA-N -1 0 330.292 2.109 20 5 EEBDRM COc1cccc(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)n1 ZINC001247988564 1310811531 /nfs/dbraw/zinc/81/15/31/1310811531.db2.gz XJSAYKXHIZVIAO-UHFFFAOYSA-N -1 0 328.284 2.345 20 5 EEBDRM Cc1cc(NCC(C)(C)C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000841507635 1315567665 /nfs/dbraw/zinc/56/76/65/1315567665.db2.gz JXPRAUIIPSAAAT-UHFFFAOYSA-N -1 0 330.344 2.305 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC001602389462 1350508907 /nfs/dbraw/zinc/50/89/07/1350508907.db2.gz NXCSPWNYIIDMSQ-NSHDSACASA-N -1 0 333.296 2.112 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001605060467 1351069121 /nfs/dbraw/zinc/06/91/21/1351069121.db2.gz KCQITHNBBLJNEB-UXIGCNINSA-N -1 0 334.372 2.343 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)n1 ZINC001607709566 1351543665 /nfs/dbraw/zinc/54/36/65/1351543665.db2.gz JGRCSWAZNPEGDE-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM CC(=O)CCCCCCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001309626870 1331636707 /nfs/dbraw/zinc/63/67/07/1331636707.db2.gz XOMRKIUTLPJORK-UHFFFAOYSA-N -1 0 344.389 2.118 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]2C2CCCC2)ccc1[O-] ZINC001309949157 1331649065 /nfs/dbraw/zinc/64/90/65/1331649065.db2.gz WZTBRUIHKYELCG-LBPRGKRZSA-N -1 0 326.374 2.254 20 5 EEBDRM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1Cc1cccc([N+](=O)[O-])c1 ZINC001608652722 1351734597 /nfs/dbraw/zinc/73/45/97/1351734597.db2.gz JPLJUPVNMLBIDL-MRXNPFEDSA-N -1 0 328.324 2.312 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NC[C@@H](O)c2ccccn2)c([N+](=O)[O-])c1 ZINC001608661115 1351736848 /nfs/dbraw/zinc/73/68/48/1351736848.db2.gz MXEZKMNFEWLIMB-KEDPEKRHSA-N -1 0 329.312 2.233 20 5 EEBDRM O=C([O-])[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])Oc1ccccc1 ZINC001608800018 1351766594 /nfs/dbraw/zinc/76/65/94/1351766594.db2.gz HXRRLJDTKRMMTK-GFCCVEGCSA-N -1 0 342.311 2.187 20 5 EEBDRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001608801933 1351766872 /nfs/dbraw/zinc/76/68/72/1351766872.db2.gz KXENPOMEDPVKNA-VIFPVBQESA-N -1 0 334.662 2.183 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCC=CCC1 ZINC001608863733 1351780978 /nfs/dbraw/zinc/78/09/78/1351780978.db2.gz RDMKZTKOJTWODW-UHFFFAOYSA-N -1 0 340.357 2.070 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OS(=O)(=O)CCC2CCC2)c1 ZINC001608915830 1351793421 /nfs/dbraw/zinc/79/34/21/1351793421.db2.gz UJGKYUCCLGFEHW-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM O=[N+]([O-])c1sccc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC001331436130 1335013734 /nfs/dbraw/zinc/01/37/34/1335013734.db2.gz QPMURZPDPYODLH-UHFFFAOYSA-N -1 0 326.359 2.125 20 5 EEBDRM C[C@@H](C1CC1)N(C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CC1 ZINC001609724988 1352069705 /nfs/dbraw/zinc/06/97/05/1352069705.db2.gz APKCKKFYDVPDHM-JTQLQIEISA-N -1 0 348.355 2.461 20 5 EEBDRM O=C(Nc1nnc(-c2ccncc2)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001337471918 1336706320 /nfs/dbraw/zinc/70/63/20/1336706320.db2.gz MUJKFPILFYHDJH-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM C[C@]1(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCC(=O)N1 ZINC001609822716 1352094536 /nfs/dbraw/zinc/09/45/36/1352094536.db2.gz RJCQBKBEBQHVKV-CYBMUJFWSA-N -1 0 327.724 2.027 20 5 EEBDRM CCc1ccc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001610061497 1352152747 /nfs/dbraw/zinc/15/27/47/1352152747.db2.gz CXUNGZPNTBHINM-UHFFFAOYSA-N -1 0 347.279 2.488 20 5 EEBDRM COc1c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cccc1[N+](=O)[O-] ZINC001610276912 1352198458 /nfs/dbraw/zinc/19/84/58/1352198458.db2.gz KWAWHXQIWAVNTE-CYBMUJFWSA-N -1 0 348.286 2.298 20 5 EEBDRM COc1cc(COC(=O)c2occc2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001610299611 1352201729 /nfs/dbraw/zinc/20/17/29/1352201729.db2.gz WYTYRDUPSYQISD-UHFFFAOYSA-N -1 0 339.231 2.391 20 5 EEBDRM C[Si](C)(C)c1ccc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)cc1 ZINC001610396941 1352216077 /nfs/dbraw/zinc/21/60/77/1352216077.db2.gz LRJBZOFNZIKSLG-UHFFFAOYSA-N -1 0 346.415 2.048 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)c2nnc(C(C)C)[nH]2)n1 ZINC001610437850 1352222185 /nfs/dbraw/zinc/22/21/85/1352222185.db2.gz XDHYRHUSYRPCLN-MRVPVSSYSA-N -1 0 334.336 2.411 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Oc2cccc(-n3cncn3)c2)n1 ZINC001610440111 1352222545 /nfs/dbraw/zinc/22/25/45/1352222545.db2.gz KDIICLNYEQOBDV-UHFFFAOYSA-N -1 0 341.283 2.369 20 5 EEBDRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)cc1[N+](=O)[O-] ZINC001610484409 1352230661 /nfs/dbraw/zinc/23/06/61/1352230661.db2.gz YTNXZKTZRJFKSI-AWEZNQCLSA-N -1 0 330.296 2.165 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001610702549 1352262010 /nfs/dbraw/zinc/26/20/10/1352262010.db2.gz GVCHEQUSZPMDSH-YPMHNXCESA-N -1 0 331.328 2.449 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCCc2cccs2)c([N+](=O)[O-])c1 ZINC001610784490 1352274147 /nfs/dbraw/zinc/27/41/47/1352274147.db2.gz NVHNTORRVJCRKL-UHFFFAOYSA-N -1 0 349.368 2.125 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@]1(O)CCSC1 ZINC001610817226 1352279658 /nfs/dbraw/zinc/27/96/58/1352279658.db2.gz BMJYAXLVGCIFEK-GFCCVEGCSA-N -1 0 332.765 2.226 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](C)[C@@H]2CCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039925 1349960266 /nfs/dbraw/zinc/96/02/66/1349960266.db2.gz KJGARODNWOUNIW-VHSXEESVSA-N -1 0 337.332 2.148 20 5 EEBDRM Cc1c(NC(=O)NCc2ccc(F)cn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044331 1349960981 /nfs/dbraw/zinc/96/09/81/1349960981.db2.gz IGTPZOCVJJGNBC-UHFFFAOYSA-N -1 0 348.290 2.457 20 5 EEBDRM Cc1cc(C(=O)N2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001600079049 1349967090 /nfs/dbraw/zinc/96/70/90/1349967090.db2.gz CHOZGUIYBKNXSC-RABLLNBGSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](O)Cc2ccccc2F)n1 ZINC001600107271 1349972670 /nfs/dbraw/zinc/97/26/70/1349972670.db2.gz SYIRLDSHURBKEP-NSHDSACASA-N -1 0 349.318 2.151 20 5 EEBDRM Cc1cc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n2nc(C(=O)[O-])nc2n1 ZINC001600284154 1350011061 /nfs/dbraw/zinc/01/10/61/1350011061.db2.gz YYTCHZGKYVUSPI-VIFPVBQESA-N -1 0 342.315 2.212 20 5 EEBDRM Cc1cc(SC[C@H]2CN(C)CCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600302997 1350015366 /nfs/dbraw/zinc/01/53/66/1350015366.db2.gz AKPZYXUTRQSHNC-SNVBAGLBSA-N -1 0 326.374 2.024 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001600347598 1350025397 /nfs/dbraw/zinc/02/53/97/1350025397.db2.gz BVQDQINCKCWYNO-UHFFFAOYSA-N -1 0 347.327 2.240 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)CCc2ocnc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001600367938 1350031487 /nfs/dbraw/zinc/03/14/87/1350031487.db2.gz GWIHRNUAPFDVSB-SNVBAGLBSA-N -1 0 347.327 2.399 20 5 EEBDRM Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)C(=O)[O-])cc1 ZINC001600377316 1350034149 /nfs/dbraw/zinc/03/41/49/1350034149.db2.gz LDUHAYWUYNMQLW-CQSZACIVSA-N -1 0 343.339 2.205 20 5 EEBDRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001600868900 1350156655 /nfs/dbraw/zinc/15/66/55/1350156655.db2.gz FIUCYFFZSJAXEL-GFCCVEGCSA-N -1 0 336.325 2.335 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001600903372 1350163722 /nfs/dbraw/zinc/16/37/22/1350163722.db2.gz GKFLVSKNSHCGOX-UHFFFAOYSA-N -1 0 337.719 2.215 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)CCOc2ccccc2[N+](=O)[O-])o1 ZINC001601283433 1350248490 /nfs/dbraw/zinc/24/84/90/1350248490.db2.gz XHLWQMCXVGARHQ-UHFFFAOYSA-N -1 0 335.268 2.398 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cccnc1 ZINC001601402006 1350275088 /nfs/dbraw/zinc/27/50/88/1350275088.db2.gz JRCNVNZFCLFIIM-AWEZNQCLSA-N -1 0 340.295 2.027 20 5 EEBDRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001601408309 1350277864 /nfs/dbraw/zinc/27/78/64/1350277864.db2.gz GEZHNIICYZPICA-ONGXEEELSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC001601510612 1350297783 /nfs/dbraw/zinc/29/77/83/1350297783.db2.gz GFICZLBOWPOHSS-UHFFFAOYSA-N -1 0 349.730 2.314 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001601528497 1350300886 /nfs/dbraw/zinc/30/08/86/1350300886.db2.gz GKCWQLCCXJEETB-HZGVNTEJSA-N -1 0 332.234 2.064 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)on1 ZINC001601587187 1350313288 /nfs/dbraw/zinc/31/32/88/1350313288.db2.gz NGFJMGQOYLJLDW-UHFFFAOYSA-N -1 0 343.198 2.135 20 5 EEBDRM O=C([O-])[C@H]1[C@H](O)CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001601752425 1350356885 /nfs/dbraw/zinc/35/68/85/1350356885.db2.gz KBVLQTRTEUBWKQ-VXGBXAGGSA-N -1 0 348.277 2.024 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001601855811 1350381308 /nfs/dbraw/zinc/38/13/08/1350381308.db2.gz KYTVHUOVGDKVQD-MRVPVSSYSA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCC3(CCC3)O2)cc([N+](=O)[O-])c1 ZINC001602246190 1350475595 /nfs/dbraw/zinc/47/55/95/1350475595.db2.gz JNWCVQZTKYVYGC-ZDUSSCGKSA-N -1 0 334.328 2.125 20 5 EEBDRM O=C([O-])c1ccc([C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(F)(F)F)cc1 ZINC001602328186 1350495296 /nfs/dbraw/zinc/49/52/96/1350495296.db2.gz ATBWAJHLHYBEDC-BBBLOLIVSA-N -1 0 333.218 2.197 20 5 EEBDRM O=C([O-])c1ccc(F)c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC001602365154 1350504867 /nfs/dbraw/zinc/50/48/67/1350504867.db2.gz YRYVHZXKUWESCF-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC001602402803 1350511468 /nfs/dbraw/zinc/51/14/68/1350511468.db2.gz HLOHEOVERXESTK-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCOC2CCSCC2)n1 ZINC001602405683 1350511995 /nfs/dbraw/zinc/51/19/95/1350511995.db2.gz FRIJLLCCQLIMPT-UHFFFAOYSA-N -1 0 327.362 2.012 20 5 EEBDRM O=C([O-])c1cccc2c1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001602458598 1350523762 /nfs/dbraw/zinc/52/37/62/1350523762.db2.gz RMYRSAUDCARJAS-UHFFFAOYSA-N -1 0 340.335 2.420 20 5 EEBDRM O=C([O-])c1ccccc1S(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-] ZINC001602476760 1350528197 /nfs/dbraw/zinc/52/81/97/1350528197.db2.gz XTXMRWQVAMHLLJ-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1cncnc1NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001602546333 1350543262 /nfs/dbraw/zinc/54/32/62/1350543262.db2.gz WMIUUXWQUMIURF-UHFFFAOYSA-N -1 0 342.315 2.004 20 5 EEBDRM O=C([O-])c1coc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1 ZINC001602557366 1350545848 /nfs/dbraw/zinc/54/58/48/1350545848.db2.gz RCSYDSOJZVJQLQ-UHFFFAOYSA-N -1 0 345.311 2.390 20 5 EEBDRM O=C([O-])[C@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001602603230 1350554817 /nfs/dbraw/zinc/55/48/17/1350554817.db2.gz PUIWNPLWMUPAPN-CYBMUJFWSA-N -1 0 335.243 2.422 20 5 EEBDRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC001603154996 1350651346 /nfs/dbraw/zinc/65/13/46/1350651346.db2.gz NEIUZVVHUMXASQ-ABAIWWIYSA-N -1 0 343.339 2.426 20 5 EEBDRM C[C@@](O)(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001604367068 1350924328 /nfs/dbraw/zinc/92/43/28/1350924328.db2.gz JVRYZSPIJIZZBL-INIZCTEOSA-N -1 0 348.286 2.278 20 5 EEBDRM C[C@H]1CCC[C@H](C)N1C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604716456 1350990732 /nfs/dbraw/zinc/99/07/32/1350990732.db2.gz IFKCEKBFLNPUBA-QWRGUYRKSA-N -1 0 336.344 2.461 20 5 EEBDRM CC[C@@]1(C)COCCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001605134638 1351084873 /nfs/dbraw/zinc/08/48/73/1351084873.db2.gz DBEVGDAAJYMLKZ-INIZCTEOSA-N -1 0 338.360 2.059 20 5 EEBDRM CCC1(CC)CN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001605141304 1351086962 /nfs/dbraw/zinc/08/69/62/1351086962.db2.gz VKWJUFPPKGKUGG-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM CCCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)[O-] ZINC001605300020 1351129681 /nfs/dbraw/zinc/12/96/81/1351129681.db2.gz VYNZWHZUZZXXSN-SECBINFHSA-N -1 0 330.287 2.398 20 5 EEBDRM CCc1nc(CC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cs1 ZINC001605852053 1351236647 /nfs/dbraw/zinc/23/66/47/1351236647.db2.gz RWXBRQLNDPIGSG-UHFFFAOYSA-N -1 0 336.325 2.460 20 5 EEBDRM COC(=O)c1cc(C)nc(N(CCC(=O)[O-])CC(C)C)c1[N+](=O)[O-] ZINC001606539668 1351319239 /nfs/dbraw/zinc/31/92/39/1351319239.db2.gz AJNLIKYLTQWPGU-UHFFFAOYSA-N -1 0 339.348 2.022 20 5 EEBDRM CO[C@H]1CCC[C@@H]1CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001606743790 1351350238 /nfs/dbraw/zinc/35/02/38/1351350238.db2.gz ZNINQDJEFHZFJF-PELKAZGASA-N -1 0 339.304 2.428 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001607125340 1351428642 /nfs/dbraw/zinc/42/86/42/1351428642.db2.gz BDGIDAXUVUGUQH-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM COc1cc(COC(=O)C[C@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607165204 1351441636 /nfs/dbraw/zinc/44/16/36/1351441636.db2.gz SJMFLVAMHCENBH-MRVPVSSYSA-N -1 0 329.280 2.287 20 5 EEBDRM COc1ccc(CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC001607249411 1351458703 /nfs/dbraw/zinc/45/87/03/1351458703.db2.gz SDAXDGXVNWODQG-UHFFFAOYSA-N -1 0 331.328 2.280 20 5 EEBDRM Nc1c(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc(F)cc1[N+](=O)[O-] ZINC001608267364 1351659395 /nfs/dbraw/zinc/65/93/95/1351659395.db2.gz YGEBRVFNQHRPHX-UHFFFAOYSA-N -1 0 333.275 2.196 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC001608351637 1351677038 /nfs/dbraw/zinc/67/70/38/1351677038.db2.gz WXNWRLXZXPQVFY-ZDUSSCGKSA-N -1 0 337.309 2.404 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC001608455147 1351698850 /nfs/dbraw/zinc/69/88/50/1351698850.db2.gz DABDXAKNDNVHRL-CQSZACIVSA-N -1 0 345.311 2.249 20 5 EEBDRM COC(=O)c1cnc(NC[C@@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC001574577430 1403522576 /nfs/dbraw/zinc/52/25/76/1403522576.db2.gz GCXQGIJGBNNHKR-GFCCVEGCSA-N -1 0 345.311 2.057 20 5 EEBDRM COCC(=O)Nc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780351807 760860727 /nfs/dbraw/zinc/86/07/27/760860727.db2.gz WWGGWVHVKOLAFV-UHFFFAOYSA-N -1 0 345.311 2.138 20 5 EEBDRM CC(C)n1cnc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000179624203 774108116 /nfs/dbraw/zinc/10/81/16/774108116.db2.gz HEMPPFRZRIQGRM-UHFFFAOYSA-N -1 0 328.325 2.312 20 5 EEBDRM O=C1OCc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000000178081 778380780 /nfs/dbraw/zinc/38/07/80/778380780.db2.gz MEGJSOAMCOQNKS-UHFFFAOYSA-N -1 0 334.309 2.066 20 5 EEBDRM CCc1ccc([C@H](O)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000804158702 785601018 /nfs/dbraw/zinc/60/10/18/785601018.db2.gz BNZBWCORFRJDCM-OAHLLOKOSA-N -1 0 330.340 2.326 20 5 EEBDRM CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(F)c2[N+](=O)[O-])c1C ZINC000585129812 786637663 /nfs/dbraw/zinc/63/76/63/786637663.db2.gz XMEDPGPLBFSOEA-UHFFFAOYSA-N -1 0 342.352 2.368 20 5 EEBDRM C[C@@]1(C(=O)[O-])CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000910480600 786810721 /nfs/dbraw/zinc/81/07/21/786810721.db2.gz WZDQGIYAXDFQOH-LBPRGKRZSA-N -1 0 334.250 2.294 20 5 EEBDRM CN(C[C@@](C)(O)c1ccccc1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000844208222 788927919 /nfs/dbraw/zinc/92/79/19/788927919.db2.gz ASHVQQJWYFTRFG-MRXNPFEDSA-N -1 0 331.328 2.032 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000845497943 789815954 /nfs/dbraw/zinc/81/59/54/789815954.db2.gz QAZWSCXCECIIGO-MGCOHNPYSA-N -1 0 344.364 2.365 20 5 EEBDRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000131671407 795171523 /nfs/dbraw/zinc/17/15/23/795171523.db2.gz WHMRUILSBKAUGL-UHFFFAOYSA-N -1 0 328.390 2.367 20 5 EEBDRM O=C([O-])c1ccc(Nc2cncc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC001174504158 797784955 /nfs/dbraw/zinc/78/49/55/797784955.db2.gz VVJGSTLGJYXAQY-UHFFFAOYSA-N -1 0 344.327 2.268 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccnn2Br)cc1[N+](=O)[O-] ZINC001174503954 797785005 /nfs/dbraw/zinc/78/50/05/797785005.db2.gz QAELCXISGREEFN-UHFFFAOYSA-N -1 0 327.094 2.391 20 5 EEBDRM CC(C)c1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)cc1[N+](=O)[O-] ZINC000262859743 939080171 /nfs/dbraw/zinc/08/01/71/939080171.db2.gz FBAHQXAQXOWDIE-UHFFFAOYSA-N -1 0 336.344 2.082 20 5 EEBDRM CC[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589575189 948935629 /nfs/dbraw/zinc/93/56/29/948935629.db2.gz DODWLCXHKYMPNR-GMSGAONNSA-N -1 0 331.708 2.422 20 5 EEBDRM CCNc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001589960458 950737935 /nfs/dbraw/zinc/73/79/35/950737935.db2.gz YZWLZSOQMKRAGC-HZMBPMFUSA-N -1 0 335.360 2.352 20 5 EEBDRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001595025011 951337480 /nfs/dbraw/zinc/33/74/80/951337480.db2.gz WLSBZGFIMKGINU-JTQLQIEISA-N -1 0 344.327 2.002 20 5 EEBDRM CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)[O-] ZINC001593604829 953427393 /nfs/dbraw/zinc/42/73/93/953427393.db2.gz DLPIPTALLUQOSY-SNVBAGLBSA-N -1 0 345.149 2.259 20 5 EEBDRM C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)[O-] ZINC001589325062 953894546 /nfs/dbraw/zinc/89/45/46/953894546.db2.gz GPSALAPSOQCNIC-BSLXNSKLSA-N -1 0 332.356 2.410 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC001589347617 954060026 /nfs/dbraw/zinc/06/00/26/954060026.db2.gz FGWDPIREIVFCSN-APPZFPTMSA-N -1 0 341.751 2.013 20 5 EEBDRM CO[C@H](C(=O)[O-])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001593901596 955873956 /nfs/dbraw/zinc/87/39/56/955873956.db2.gz BYZOFANUBVLLSB-HNNXBMFYSA-N -1 0 344.323 2.228 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H](CC(=O)[O-])C1 ZINC001594575220 955911982 /nfs/dbraw/zinc/91/19/82/955911982.db2.gz PPBKPZXUHVXJIK-ZETCQYMHSA-N -1 0 336.270 2.038 20 5 EEBDRM C[C@](O)(CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589148242 956319582 /nfs/dbraw/zinc/31/95/82/956319582.db2.gz NTIAURQXXSSSIW-KRWDZBQOSA-N -1 0 344.323 2.073 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001589192728 956601491 /nfs/dbraw/zinc/60/14/91/956601491.db2.gz FCIMJEUTESABJO-INIZCTEOSA-N -1 0 344.327 2.472 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(C)cc(C(=O)[O-])c3)n2)n1C ZINC001594281478 957750044 /nfs/dbraw/zinc/75/00/44/957750044.db2.gz PPQDVLZOVYPBNI-UHFFFAOYSA-N -1 0 343.299 2.360 20 5 EEBDRM C[C@H](C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001588546968 959001628 /nfs/dbraw/zinc/00/16/28/959001628.db2.gz DRMCBUDPUUYWPA-NRUUGDAUSA-N -1 0 338.335 2.407 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001594217912 959344352 /nfs/dbraw/zinc/34/43/52/959344352.db2.gz SXJSEFZCEDYTJM-QMTHXVAHSA-N -1 0 331.328 2.014 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000235425006 960431505 /nfs/dbraw/zinc/43/15/05/960431505.db2.gz POZCZDSSYIUEMA-GFCCVEGCSA-N -1 0 344.165 2.443 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001325039420 961048437 /nfs/dbraw/zinc/04/84/37/961048437.db2.gz YZKVQHLNWQOLOP-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM CON(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC001574170978 962773350 /nfs/dbraw/zinc/77/33/50/962773350.db2.gz SRNGWLXATKZXLA-SSDOTTSWSA-N -1 0 348.764 2.203 20 5 EEBDRM C[C@H](OC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001605054019 972672984 /nfs/dbraw/zinc/67/29/84/972672984.db2.gz WEBUNNYZTZVERH-TUAOUCFPSA-N -1 0 337.328 2.469 20 5 EEBDRM C[C@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC001603416557 973116306 /nfs/dbraw/zinc/11/63/06/973116306.db2.gz SUSZQADMKOIPFL-JOYOIKCWSA-N -1 0 342.298 2.256 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001606410628 973865787 /nfs/dbraw/zinc/86/57/87/973865787.db2.gz ZGNAHSYIYAGYMT-HTQZYQBOSA-N -1 0 330.243 2.246 20 5 EEBDRM CCOc1cc(NC(=O)N(C)C[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603860019 974359551 /nfs/dbraw/zinc/35/95/51/974359551.db2.gz DQQGDXHCZQLCJZ-VIFPVBQESA-N -1 0 325.321 2.178 20 5 EEBDRM C[C@](CO)(NCc1ccc(C(=O)[O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC001592749142 979300884 /nfs/dbraw/zinc/30/08/84/979300884.db2.gz DIJBQMVFNHTOPF-QGZVFWFLSA-N -1 0 348.330 2.429 20 5 EEBDRM COc1cc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc([N+](=O)[O-])c1C ZINC000864204031 979884649 /nfs/dbraw/zinc/88/46/49/979884649.db2.gz OMWMZVWOAHMWJP-MRXNPFEDSA-N -1 0 336.344 2.285 20 5 EEBDRM CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@H](C)C(=O)[O-] ZINC001595352237 980666714 /nfs/dbraw/zinc/66/67/14/980666714.db2.gz VNNZXDNCPAYOBQ-IINYFYTJSA-N -1 0 347.327 2.437 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001594975474 982750035 /nfs/dbraw/zinc/75/00/35/982750035.db2.gz KFOXNFJNXVRXRI-MRVPVSSYSA-N -1 0 339.304 2.137 20 5 EEBDRM CCN(CCOC)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001596341100 983791552 /nfs/dbraw/zinc/79/15/52/983791552.db2.gz YIGWTZPIOUUAHO-UHFFFAOYSA-N -1 0 325.321 2.102 20 5 EEBDRM C/C(=C\C(=O)OCc1oncc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001588953140 984692071 /nfs/dbraw/zinc/69/20/71/984692071.db2.gz IQJUTUHIEZQBBB-RMKNXTFCSA-N -1 0 332.268 2.428 20 5 EEBDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC001589264779 985936496 /nfs/dbraw/zinc/93/64/96/985936496.db2.gz PIHCWDROKVXOCH-UHFFFAOYSA-N -1 0 331.284 2.384 20 5 EEBDRM CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])nc2)cc1[N+](=O)[O-] ZINC001597061820 986550117 /nfs/dbraw/zinc/55/01/17/986550117.db2.gz KIMLBLGSEZTRHI-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001589579770 987359360 /nfs/dbraw/zinc/35/93/60/987359360.db2.gz KJCHUIYGQAOLLC-BVIHXZOGSA-N -1 0 346.383 2.488 20 5 EEBDRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001597500563 988055687 /nfs/dbraw/zinc/05/56/87/988055687.db2.gz PASBWAQTDXVRQD-HNNXBMFYSA-N -1 0 344.323 2.419 20 5 EEBDRM CCc1onc(C)c1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001597813472 989432492 /nfs/dbraw/zinc/43/24/92/989432492.db2.gz ASVXUTUGAPUNEB-UHFFFAOYSA-N -1 0 349.343 2.207 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598508552 992537179 /nfs/dbraw/zinc/53/71/79/992537179.db2.gz OEVBPSYRJSLQEK-DTORHVGOSA-N -1 0 326.736 2.317 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001599622657 994105470 /nfs/dbraw/zinc/10/54/70/994105470.db2.gz XVMSVIIUIOKGPN-OAHLLOKOSA-N -1 0 337.332 2.368 20 5 EEBDRM COc1cccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n1 ZINC001599642694 994380815 /nfs/dbraw/zinc/38/08/15/994380815.db2.gz LPWDDYVGIRRBMB-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM CNc1c(C(=O)Nc2cccc(C(=O)[O-])c2O)cccc1[N+](=O)[O-] ZINC001598675821 994841048 /nfs/dbraw/zinc/84/10/48/994841048.db2.gz HHBPFYMZUHSLDV-UHFFFAOYSA-N -1 0 331.284 2.293 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H](C(=O)[O-])C1CC1 ZINC001593619824 995864665 /nfs/dbraw/zinc/86/46/65/995864665.db2.gz QCCLAWUWRCNLPN-JVXZTZIISA-N -1 0 343.719 2.422 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN1C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC001599190739 997119651 /nfs/dbraw/zinc/11/96/51/997119651.db2.gz MWXXNIWDLBQYQU-LUJNMSEFSA-N -1 0 348.355 2.090 20 5 EEBDRM COc1cc(OC(=O)c2cc([N+](=O)[O-])cc(C)n2)ccc1C(=O)[O-] ZINC001599447763 998036864 /nfs/dbraw/zinc/03/68/64/998036864.db2.gz LWOUXZFJFDIMTH-UHFFFAOYSA-N -1 0 332.268 2.224 20 5 EEBDRM COc1ccc(CNC(=O)Cc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001599565920 998286604 /nfs/dbraw/zinc/28/66/04/998286604.db2.gz FHGMVLOWYFFDKA-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM COCCOc1cccc(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001599259944 998367984 /nfs/dbraw/zinc/36/79/84/998367984.db2.gz BMRVTDKJXVAXRT-UHFFFAOYSA-N -1 0 333.300 2.457 20 5 EEBDRM C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001594221164 998851222 /nfs/dbraw/zinc/85/12/22/998851222.db2.gz JYOLWPUHWQYLOS-GHMZBOCLSA-N -1 0 336.344 2.176 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1OC ZINC000067123993 215115778 /nfs/dbraw/zinc/11/57/78/215115778.db2.gz JLELNKQBACWRMP-UHFFFAOYSA-N -1 0 337.357 2.362 20 5 EEBDRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346018760 304066150 /nfs/dbraw/zinc/06/61/50/304066150.db2.gz BJPYAINECDTERP-UHFFFAOYSA-N -1 0 337.719 2.303 20 5 EEBDRM CCc1noc(CC)c1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000191663821 239238480 /nfs/dbraw/zinc/23/84/80/239238480.db2.gz CFBSPMRSXJSZLL-UHFFFAOYSA-N -1 0 347.327 2.336 20 5 EEBDRM CO[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000442743234 242104412 /nfs/dbraw/zinc/10/44/12/242104412.db2.gz YURYXROBWAJGDS-LURJTMIESA-N -1 0 343.188 2.215 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(NCCN2c3ccccc3[N-]S2(=O)=O)c1 ZINC000447691425 242305424 /nfs/dbraw/zinc/30/54/24/242305424.db2.gz RHHNFYWBSKTNCW-UHFFFAOYSA-N -1 0 348.384 2.492 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000236857342 242384274 /nfs/dbraw/zinc/38/42/74/242384274.db2.gz UECGXILUCGEGMZ-QMTHXVAHSA-N -1 0 346.343 2.010 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000262369231 244944894 /nfs/dbraw/zinc/94/48/94/244944894.db2.gz ALPOHJQNIUWNIK-ZDUSSCGKSA-N -1 0 343.339 2.403 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262927818 245255369 /nfs/dbraw/zinc/25/53/69/245255369.db2.gz KZUPQHKZAOHAMG-SNVBAGLBSA-N -1 0 326.736 2.256 20 5 EEBDRM CCOC(=O)c1[nH]c(C)nc1NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000491911677 246209450 /nfs/dbraw/zinc/20/94/50/246209450.db2.gz HJRBLYSCVPGWGQ-BQYQJAHWSA-N -1 0 344.327 2.455 20 5 EEBDRM CCCCc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000194802850 256007902 /nfs/dbraw/zinc/00/79/02/256007902.db2.gz CYIHROWQGVONRA-UHFFFAOYSA-N -1 0 340.361 2.430 20 5 EEBDRM Cn1cc(-c2csc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)n2)cn1 ZINC000356599143 141023722 /nfs/dbraw/zinc/02/37/22/141023722.db2.gz DOQBQYDIAHYYBN-UHFFFAOYSA-N -1 0 345.340 2.410 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000263030116 152360832 /nfs/dbraw/zinc/36/08/32/152360832.db2.gz ONBUHYWOGNWPOW-GMSGAONNSA-N -1 0 348.327 2.300 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000263125995 152382160 /nfs/dbraw/zinc/38/21/60/152382160.db2.gz CQRGZOKKFAIEJD-PSASIEDQSA-N -1 0 326.736 2.431 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(Cc2cccs2)CC1 ZINC000130328185 292371647 /nfs/dbraw/zinc/37/16/47/292371647.db2.gz JEZCJFLZPBPJBB-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262390932 160453643 /nfs/dbraw/zinc/45/36/43/160453643.db2.gz RHIXITOVEPCOFG-UHFFFAOYSA-N -1 0 344.751 2.340 20 5 EEBDRM COc1cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000263512590 160469069 /nfs/dbraw/zinc/46/90/69/160469069.db2.gz CTYZRCKKKUJNBZ-LBPRGKRZSA-N -1 0 338.360 2.389 20 5 EEBDRM CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000130499331 159546856 /nfs/dbraw/zinc/54/68/56/159546856.db2.gz TVSAHOUDPCOFNQ-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000237006663 286805915 /nfs/dbraw/zinc/80/59/15/286805915.db2.gz AUKGOEMFQWCCNG-PSLIRLAXSA-N -1 0 333.344 2.234 20 5 EEBDRM Cc1sc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000342355976 161059269 /nfs/dbraw/zinc/05/92/69/161059269.db2.gz JXWLRRUNKSQKFK-UHFFFAOYSA-N -1 0 342.354 2.494 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ncn(C(C)(C)C)n2)c([N+](=O)[O-])c1 ZINC000342472595 161068093 /nfs/dbraw/zinc/06/80/93/161068093.db2.gz BPCGYGUNEQJICH-UHFFFAOYSA-N -1 0 339.377 2.051 20 5 EEBDRM CCC(CC)(NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000342537129 161072435 /nfs/dbraw/zinc/07/24/35/161072435.db2.gz ZNCRLJMPOJKXBE-UHFFFAOYSA-N -1 0 346.343 2.154 20 5 EEBDRM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000343100888 161103446 /nfs/dbraw/zinc/10/34/46/161103446.db2.gz YIXKKMCWWPZAII-LBPRGKRZSA-N -1 0 341.367 2.481 20 5 EEBDRM O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000345237938 161284554 /nfs/dbraw/zinc/28/45/54/161284554.db2.gz WERNSCDFYYUFLK-GFCCVEGCSA-N -1 0 345.330 2.448 20 5 EEBDRM COCc1ccccc1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000347520675 161460110 /nfs/dbraw/zinc/46/01/10/161460110.db2.gz OWZSGQUUKRTZGJ-UHFFFAOYSA-N -1 0 344.323 2.369 20 5 EEBDRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000352730711 162263457 /nfs/dbraw/zinc/26/34/57/162263457.db2.gz XBLVQKJGEUUVEC-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM COc1ccc(OC)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000355346771 163156233 /nfs/dbraw/zinc/15/62/33/163156233.db2.gz SXWUDNRNTXNBIC-UHFFFAOYSA-N -1 0 332.312 2.499 20 5 EEBDRM CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000275175393 269100440 /nfs/dbraw/zinc/10/04/40/269100440.db2.gz WAGBITOEALJCKO-ZANVPECISA-N -1 0 344.389 2.023 20 5 EEBDRM Cc1ccc2c(c1)nc(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])n2C ZINC000184013780 274018723 /nfs/dbraw/zinc/01/87/23/274018723.db2.gz XLABGGPWPXURPG-UHFFFAOYSA-N -1 0 340.339 2.426 20 5 EEBDRM Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000279083658 274432711 /nfs/dbraw/zinc/43/27/11/274432711.db2.gz HNEDOEGZHUXXEP-ZDUSSCGKSA-N -1 0 332.316 2.138 20 5 EEBDRM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000288652001 275079240 /nfs/dbraw/zinc/07/92/40/275079240.db2.gz QZXIAHJFZFNPQP-SECBINFHSA-N -1 0 347.293 2.057 20 5 EEBDRM CC1(C)C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000263538033 281354463 /nfs/dbraw/zinc/35/44/63/281354463.db2.gz PLISSUKAXGVAMG-LBPRGKRZSA-N -1 0 336.344 2.369 20 5 EEBDRM CN1Cc2ccccc2[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000368324739 290313122 /nfs/dbraw/zinc/31/31/22/290313122.db2.gz UCKCUUXZJJJFPE-CQSZACIVSA-N -1 0 327.340 2.217 20 5 EEBDRM CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000296829271 294078222 /nfs/dbraw/zinc/07/82/22/294078222.db2.gz AZZUYTWDVGUFBG-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000297186488 294174929 /nfs/dbraw/zinc/17/49/29/294174929.db2.gz LNBTTYWDOHGLFM-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000263219626 297344047 /nfs/dbraw/zinc/34/40/47/297344047.db2.gz OTZZSYZXGRXBDD-PWSUYJOCSA-N -1 0 347.371 2.034 20 5 EEBDRM Cc1cncn1C1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000332483060 312014222 /nfs/dbraw/zinc/01/42/22/312014222.db2.gz ZAAZNUCMRYVNFP-UHFFFAOYSA-N -1 0 330.344 2.283 20 5 EEBDRM CCOC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000417594909 313546929 /nfs/dbraw/zinc/54/69/29/313546929.db2.gz BEWSCTUZLABFLA-ZDUSSCGKSA-N -1 0 334.328 2.434 20 5 EEBDRM CC[C@H](CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12)OC ZINC000421248965 314069753 /nfs/dbraw/zinc/06/97/53/314069753.db2.gz LPFDEJRZHFGTPB-SNVBAGLBSA-N -1 0 339.373 2.310 20 5 EEBDRM CC(C)n1cc(C(C)(C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nn1 ZINC000422074457 314177585 /nfs/dbraw/zinc/17/75/85/314177585.db2.gz YDPVRPYRMVOWNZ-UHFFFAOYSA-N -1 0 333.348 2.138 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OC)c1 ZINC000436639657 314982511 /nfs/dbraw/zinc/98/25/11/314982511.db2.gz QASYCZOSFHIZKE-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM COCC[C@@H](Cc1ccco1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436826317 315002482 /nfs/dbraw/zinc/00/24/82/315002482.db2.gz KFZNHMMJHIXMIX-NSHDSACASA-N -1 0 334.328 2.271 20 5 EEBDRM COc1ccc([C@@H](CCO)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436963506 315017477 /nfs/dbraw/zinc/01/74/77/315017477.db2.gz ZOADGFJASIQBHD-OAHLLOKOSA-N -1 0 346.339 2.163 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](CCO)c1ccccc1 ZINC000436998271 315022308 /nfs/dbraw/zinc/02/23/08/315022308.db2.gz IOSOSRJJPWMRKV-OAHLLOKOSA-N -1 0 330.340 2.496 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000537403655 318017145 /nfs/dbraw/zinc/01/71/45/318017145.db2.gz SGMFWFRDNUCBTN-QMTHXVAHSA-N -1 0 331.328 2.125 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000537403768 318017336 /nfs/dbraw/zinc/01/73/36/318017336.db2.gz UMSROBOPRMMYRV-UHFFFAOYSA-N -1 0 344.279 2.317 20 5 EEBDRM CNc1ccc(C(=O)NCCc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000537472805 318017648 /nfs/dbraw/zinc/01/76/48/318017648.db2.gz XCHWAOOHAKZCTP-UHFFFAOYSA-N -1 0 343.339 2.307 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000539567677 318056979 /nfs/dbraw/zinc/05/69/79/318056979.db2.gz REEXLBYUDBEHAZ-LBPRGKRZSA-N -1 0 337.719 2.142 20 5 EEBDRM COc1ccc(CC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000539604706 318057326 /nfs/dbraw/zinc/05/73/26/318057326.db2.gz DXQIXVTWURTDMV-LBPRGKRZSA-N -1 0 338.360 2.009 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 ZINC000539575736 318057631 /nfs/dbraw/zinc/05/76/31/318057631.db2.gz RMZKVHXYEZPKKQ-UHFFFAOYSA-N -1 0 344.279 2.317 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@]1(C)C(=O)[O-] ZINC000564455043 319086179 /nfs/dbraw/zinc/08/61/79/319086179.db2.gz DKLLWPYXRUQKPL-BMLIUANNSA-N -1 0 343.339 2.326 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC000565483479 319187248 /nfs/dbraw/zinc/18/72/48/319187248.db2.gz JLKFANIKVXXXRS-QWHCGFSZSA-N -1 0 329.312 2.067 20 5 EEBDRM CCc1nn(C)c(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000572124184 319817774 /nfs/dbraw/zinc/81/77/74/319817774.db2.gz LMWLOVGWAYQRSK-KRWDZBQOSA-N -1 0 344.371 2.123 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000575739506 320109461 /nfs/dbraw/zinc/10/94/61/320109461.db2.gz UJMDMIFDJQPGPB-LLVKDONJSA-N -1 0 335.360 2.175 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)[C@H](O)Cc2ccccc2)n1 ZINC000576351159 320164280 /nfs/dbraw/zinc/16/42/80/320164280.db2.gz RXGVMOWMSOCYKO-BXUZGUMPSA-N -1 0 345.355 2.400 20 5 EEBDRM O=C([O-])c1cnc(N2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000577875322 320281915 /nfs/dbraw/zinc/28/19/15/320281915.db2.gz XLGYPYFRGRNOLU-ZDUSSCGKSA-N -1 0 328.328 2.379 20 5 EEBDRM O=C([O-])c1cc(NCCc2cn3c(n2)SCC3)ccc1[N+](=O)[O-] ZINC000578364799 320310364 /nfs/dbraw/zinc/31/03/64/320310364.db2.gz IXRYWVSKHFDWOW-UHFFFAOYSA-N -1 0 334.357 2.250 20 5 EEBDRM C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000390973384 323546639 /nfs/dbraw/zinc/54/66/39/323546639.db2.gz PSMGFNSBAFBXAP-GHMZBOCLSA-N -1 0 344.389 2.153 20 5 EEBDRM Cn1cc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000579113391 323781555 /nfs/dbraw/zinc/78/15/55/323781555.db2.gz ROMLFVWDZPDXNU-UHFFFAOYSA-N -1 0 345.237 2.052 20 5 EEBDRM CN(Cc1cc(C(C)(C)C)n[nH]1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581432137 324253380 /nfs/dbraw/zinc/25/33/80/324253380.db2.gz KYZMZEPLQVAMBL-UHFFFAOYSA-N -1 0 333.348 2.345 20 5 EEBDRM COCCOc1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000581491121 324265112 /nfs/dbraw/zinc/26/51/12/324265112.db2.gz DAXPWKSQAXHUOA-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM CC[C@](C)(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC ZINC000581727392 324312063 /nfs/dbraw/zinc/31/20/63/324312063.db2.gz BLGOPZVSHRFXTF-ZDUSSCGKSA-N -1 0 330.724 2.025 20 5 EEBDRM COc1cc(C(=O)NCc2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000325720347 465029838 /nfs/dbraw/zinc/02/98/38/465029838.db2.gz XMCINKICOYJSMJ-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM COc1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000326034066 465034843 /nfs/dbraw/zinc/03/48/43/465034843.db2.gz UPMFVUUXTFGKEH-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n(C)n1 ZINC000351619720 465255855 /nfs/dbraw/zinc/25/58/55/465255855.db2.gz KWFHCCLRKLZWLU-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cncc(F)c1 ZINC000337282716 465285261 /nfs/dbraw/zinc/28/52/61/465285261.db2.gz JXRDTNJJPSOOSX-UHFFFAOYSA-N -1 0 325.321 2.492 20 5 EEBDRM COc1cc(C(=O)N(CCC(=O)[O-])CC2CC2)cc([N+](=O)[O-])c1C ZINC000590701184 468312662 /nfs/dbraw/zinc/31/26/62/468312662.db2.gz YJKSXALCXGUPJN-UHFFFAOYSA-N -1 0 336.344 2.239 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(F)F)c1 ZINC000116710803 462769767 /nfs/dbraw/zinc/76/97/67/462769767.db2.gz XFLAZKMFOYSYCU-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000091022074 462820953 /nfs/dbraw/zinc/82/09/53/462820953.db2.gz RZJKPYOIFPTTHP-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM Cn1cnc(-c2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)n1 ZINC000131901930 462832944 /nfs/dbraw/zinc/83/29/44/462832944.db2.gz HFGCULYRVVMSJP-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM C[S@](=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000132461359 462858318 /nfs/dbraw/zinc/85/83/18/462858318.db2.gz RCQLEMWRAUKWIR-YEBMWUKDSA-N -1 0 348.380 2.150 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)c([N+](=O)[O-])c1 ZINC000066586323 462907715 /nfs/dbraw/zinc/90/77/15/462907715.db2.gz KTIKJZBSOGMWJR-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000077217176 462954758 /nfs/dbraw/zinc/95/47/58/462954758.db2.gz PJQVQVYUKLLSBL-UHFFFAOYSA-N -1 0 344.371 2.472 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ncccc2C)c1C ZINC000120383203 462993178 /nfs/dbraw/zinc/99/31/78/462993178.db2.gz GFQGNBFHJDMHDE-UHFFFAOYSA-N -1 0 335.385 2.394 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(CCCO)Cc1ccccc1 ZINC000158247355 463220372 /nfs/dbraw/zinc/22/03/72/463220372.db2.gz NNMMEDFRTOJGKM-UHFFFAOYSA-N -1 0 330.340 2.325 20 5 EEBDRM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000124941149 463482746 /nfs/dbraw/zinc/48/27/46/463482746.db2.gz BHURKMZFRFHXHE-VIFPVBQESA-N -1 0 346.386 2.224 20 5 EEBDRM CN(CC(=O)Nc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073786806 463656163 /nfs/dbraw/zinc/65/61/63/463656163.db2.gz HRKKCDHIRMPHNN-UHFFFAOYSA-N -1 0 329.312 2.011 20 5 EEBDRM CSc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000261904061 463893495 /nfs/dbraw/zinc/89/34/95/463893495.db2.gz PGTKHJIDRPVJPG-ONGXEEELSA-N -1 0 338.385 2.500 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C2CC2)o1 ZINC000194726625 463917489 /nfs/dbraw/zinc/91/74/89/463917489.db2.gz BYQBKLZLQWLDOR-UHFFFAOYSA-N -1 0 338.345 2.218 20 5 EEBDRM CO[C@H](C)c1nc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cs1 ZINC000269326030 463953261 /nfs/dbraw/zinc/95/32/61/463953261.db2.gz MZTRTRWEGXBGKU-MRVPVSSYSA-N -1 0 337.357 2.394 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000180758240 464387195 /nfs/dbraw/zinc/38/71/95/464387195.db2.gz BSVXDTANUMOAKH-UHFFFAOYSA-N -1 0 329.284 2.377 20 5 EEBDRM Nc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000237879321 464394467 /nfs/dbraw/zinc/39/44/67/464394467.db2.gz XHKFRBCXWVYWLM-LQJRIPTKSA-N -1 0 333.344 2.035 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2nc(C)c(C)o2)ccc1[N+](=O)[O-] ZINC000272098945 464478218 /nfs/dbraw/zinc/47/82/18/464478218.db2.gz GIQVODBDGXAYNO-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000245718591 464510108 /nfs/dbraw/zinc/51/01/08/464510108.db2.gz OJVTVAKVEJGVQV-KCPJHIHWSA-N -1 0 332.356 2.378 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nncn3c2)cc1[N+](=O)[O-] ZINC000191916283 464833370 /nfs/dbraw/zinc/83/33/70/464833370.db2.gz QBFIFOOYALRXNI-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000254974164 465021689 /nfs/dbraw/zinc/02/16/89/465021689.db2.gz GHJLZXMWRLSTKM-YFHOEESVSA-N -1 0 346.364 2.422 20 5 EEBDRM O=C(NCCOc1ccc(F)c(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356558878 465456354 /nfs/dbraw/zinc/45/63/54/465456354.db2.gz WBNFNCSZGBWDPW-UHFFFAOYSA-N -1 0 338.266 2.387 20 5 EEBDRM CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000338220707 465913431 /nfs/dbraw/zinc/91/34/31/465913431.db2.gz CXJUBOSTZZVZJF-UHFFFAOYSA-N -1 0 342.354 2.180 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C(=O)[O-])s1 ZINC000340346358 466007028 /nfs/dbraw/zinc/00/70/28/466007028.db2.gz UWIJMDSFKPJAQF-UHFFFAOYSA-N -1 0 336.325 2.293 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000362765107 466009082 /nfs/dbraw/zinc/00/90/82/466009082.db2.gz HSYKJTRAKOLUHV-CQSZACIVSA-N -1 0 344.323 2.202 20 5 EEBDRM O=C([O-])COc1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000362799258 466035188 /nfs/dbraw/zinc/03/51/88/466035188.db2.gz VKLYTLMZTXMIQP-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM CCc1csc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000357521325 466100159 /nfs/dbraw/zinc/10/01/59/466100159.db2.gz HTBPMKOXBYRHTB-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM CC(C)(C)c1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000347157805 466439511 /nfs/dbraw/zinc/43/95/11/466439511.db2.gz PQXDIEILFYBCNK-UHFFFAOYSA-N -1 0 334.336 2.038 20 5 EEBDRM Cc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000320392785 466608706 /nfs/dbraw/zinc/60/87/06/466608706.db2.gz XVIFKPPJRUIDIJ-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000320859974 466615497 /nfs/dbraw/zinc/61/54/97/466615497.db2.gz CCBOJCZNGUIFMN-LBPRGKRZSA-N -1 0 332.337 2.481 20 5 EEBDRM CN(Cc1ccccc1F)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000320885809 466615922 /nfs/dbraw/zinc/61/59/22/466615922.db2.gz SLJXWZBUMDINII-UHFFFAOYSA-N -1 0 340.332 2.260 20 5 EEBDRM CC(C)N1C[C@@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)CC1=O ZINC000341151036 466619835 /nfs/dbraw/zinc/61/98/35/466619835.db2.gz UPUKYVABLBDZHF-JTQLQIEISA-N -1 0 332.316 2.075 20 5 EEBDRM CO[C@@H](C)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1NC(C)C ZINC000451097239 467247991 /nfs/dbraw/zinc/24/79/91/467247991.db2.gz QXYSUNFCJQYYGZ-JTQLQIEISA-N -1 0 331.394 2.192 20 5 EEBDRM COCCN(Cc1ccccc1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000384386660 467383771 /nfs/dbraw/zinc/38/37/71/467383771.db2.gz PUZJEFFABCHFCS-UHFFFAOYSA-N -1 0 331.328 2.341 20 5 EEBDRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])cn2n1 ZINC000430353551 467423417 /nfs/dbraw/zinc/42/34/17/467423417.db2.gz IZUQRSZFMBTLBR-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1c(CNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000398892261 467451836 /nfs/dbraw/zinc/45/18/36/467451836.db2.gz ZOKKLQOTLBKFNS-MFKMUULPSA-N -1 0 335.360 2.155 20 5 EEBDRM O=C(Nc1cc(-c2cccs2)[nH]n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000443976334 467581624 /nfs/dbraw/zinc/58/16/24/467581624.db2.gz CZINORACUUZMBW-UHFFFAOYSA-N -1 0 330.325 3.004 20 5 EEBDRM O=C(/C=C\C1CCCC1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000493564870 467938586 /nfs/dbraw/zinc/93/85/86/467938586.db2.gz XTTWTJJKYCYEKD-HJWRWDBZSA-N -1 0 342.348 2.285 20 5 EEBDRM COc1cc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC000515845755 468006052 /nfs/dbraw/zinc/00/60/52/468006052.db2.gz ROCCCIZEMMFPKY-CABZTGNLSA-N -1 0 336.344 2.095 20 5 EEBDRM COC(=O)NCc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000493968485 468011567 /nfs/dbraw/zinc/01/15/67/468011567.db2.gz KKDLTGFZJQIGCJ-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM CCc1ccc(S(=O)(=O)N(CC(=O)[O-])[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000516567514 468034548 /nfs/dbraw/zinc/03/45/48/468034548.db2.gz KFWWMTUROCVCIL-JTQLQIEISA-N -1 0 344.389 2.031 20 5 EEBDRM CC[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000517570995 468089787 /nfs/dbraw/zinc/08/97/87/468089787.db2.gz KHOMKRRGKLGIBO-VXNVDRBHSA-N -1 0 337.254 2.110 20 5 EEBDRM O=C1N=NC([C@@H]2CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)O1 ZINC000589597784 468164300 /nfs/dbraw/zinc/16/43/00/468164300.db2.gz INUPQCGFARBUAD-SECBINFHSA-N -1 0 342.315 2.011 20 5 EEBDRM CC(C)[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000594538354 468616577 /nfs/dbraw/zinc/61/65/77/468616577.db2.gz PGHFHDQARSMIQM-CYBMUJFWSA-N -1 0 337.376 2.486 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC[C@H]([C@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000594736619 468668742 /nfs/dbraw/zinc/66/87/42/468668742.db2.gz TWMDQNNOHMZAQW-WCQYABFASA-N -1 0 335.360 2.474 20 5 EEBDRM COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000600883062 468675488 /nfs/dbraw/zinc/67/54/88/468675488.db2.gz WEYZIFADGGPKPN-AGIUHOORSA-N -1 0 348.355 2.319 20 5 EEBDRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000592382313 468686449 /nfs/dbraw/zinc/68/64/49/468686449.db2.gz OPCNZDHHBHDERK-UHFFFAOYSA-N -1 0 343.390 2.014 20 5 EEBDRM CC(C)(CO)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cccnc1 ZINC000597844390 468689655 /nfs/dbraw/zinc/68/96/55/468689655.db2.gz DQGMIJQIHQABEP-HNNXBMFYSA-N -1 0 345.355 2.185 20 5 EEBDRM O=C([O-])[C@H]1CSCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000571120102 468741317 /nfs/dbraw/zinc/74/13/17/468741317.db2.gz UVZBYQPGCWXERF-SNVBAGLBSA-N -1 0 345.764 2.282 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCOC(C3CC3)(C3CC3)C2)n1 ZINC000595277931 468798487 /nfs/dbraw/zinc/79/84/87/468798487.db2.gz QYZZZXIOVVDHHL-UHFFFAOYSA-N -1 0 333.344 2.083 20 5 EEBDRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595280605 468799475 /nfs/dbraw/zinc/79/94/75/468799475.db2.gz PMIAZWJBXUWGSY-APPZFPTMSA-N -1 0 349.265 2.234 20 5 EEBDRM COC1(C(F)(F)F)CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000592980248 468833624 /nfs/dbraw/zinc/83/36/24/468833624.db2.gz VUCIDUTZSVBRGF-UHFFFAOYSA-N -1 0 349.265 2.236 20 5 EEBDRM CC1(C)C(=O)N[C@H]1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000571817093 468843631 /nfs/dbraw/zinc/84/36/31/468843631.db2.gz FJUQENZCARIFGG-HNNXBMFYSA-N -1 0 333.388 2.037 20 5 EEBDRM O=C1N[C@H](c2ccc([N+](=O)[O-])c([O-])c2)N2CCc3ccccc3[C@@H]12 ZINC000602759257 469056266 /nfs/dbraw/zinc/05/62/66/469056266.db2.gz SGLJWJVJCZZFBI-HOTGVXAUSA-N -1 0 325.324 2.028 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000610845438 469086948 /nfs/dbraw/zinc/08/69/48/469086948.db2.gz IKVNLDYBAZMUTJ-CYBMUJFWSA-N -1 0 335.360 2.398 20 5 EEBDRM O=C([O-])[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595988176 469107623 /nfs/dbraw/zinc/10/76/23/469107623.db2.gz FDDJKXJGDGCBSG-AWEZNQCLSA-N -1 0 335.360 2.014 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](C)Oc2cccc(F)c2)n1 ZINC000563205621 469198923 /nfs/dbraw/zinc/19/89/23/469198923.db2.gz DSQJZQOFLGMAGI-SNVBAGLBSA-N -1 0 349.318 3.015 20 5 EEBDRM O=C([O-])[C@@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000603953753 469449602 /nfs/dbraw/zinc/44/96/02/469449602.db2.gz PPIOLCAVICQYQL-HNNXBMFYSA-N -1 0 328.324 2.470 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000617686019 469758802 /nfs/dbraw/zinc/75/88/02/469758802.db2.gz TXUNWMUGGZUUQW-UHFFFAOYSA-N -1 0 343.339 2.415 20 5 EEBDRM CC(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000160658574 528052366 /nfs/dbraw/zinc/05/23/66/528052366.db2.gz SUKHRIYAWRQEPD-UHFFFAOYSA-N -1 0 328.325 2.381 20 5 EEBDRM Cc1c(C(=O)OCCCC(=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738192548 578003109 /nfs/dbraw/zinc/00/31/09/578003109.db2.gz YGDBJZOHAHDTCI-UHFFFAOYSA-N -1 0 326.261 2.141 20 5 EEBDRM NC(=O)CC1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000739157687 576128126 /nfs/dbraw/zinc/12/81/26/576128126.db2.gz QHDUTSQWSHSROX-UHFFFAOYSA-N -1 0 341.751 2.038 20 5 EEBDRM C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCCCC(=O)[O-])C1=O ZINC000737733944 576163152 /nfs/dbraw/zinc/16/31/52/576163152.db2.gz HXLNXVWKCHFIIL-MRXNPFEDSA-N -1 0 349.343 2.007 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCC1 ZINC000738497711 576502735 /nfs/dbraw/zinc/50/27/35/576502735.db2.gz NLMJOUQJBYZFKL-UHFFFAOYSA-N -1 0 347.371 2.180 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000732907079 577196892 /nfs/dbraw/zinc/19/68/92/577196892.db2.gz QPBFUDNEZOIHQG-SNVBAGLBSA-N -1 0 328.390 2.399 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](O)c1cccc(F)c1 ZINC000773434103 577342089 /nfs/dbraw/zinc/34/20/89/577342089.db2.gz QNCWVGBUNUKEKF-RFAUZJTJSA-N -1 0 334.303 2.291 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000776513413 577461218 /nfs/dbraw/zinc/46/12/18/577461218.db2.gz RRJNEVUHKPAASO-DTWKUNHWSA-N -1 0 346.792 2.489 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000776513418 577461239 /nfs/dbraw/zinc/46/12/39/577461239.db2.gz RRJNEVUHKPAASO-RKDXNWHRSA-N -1 0 346.792 2.489 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000769510864 577579493 /nfs/dbraw/zinc/57/94/93/577579493.db2.gz XVZUJVBMFRGQPG-UHFFFAOYSA-N -1 0 348.286 2.127 20 5 EEBDRM CCCC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000761056018 577675164 /nfs/dbraw/zinc/67/51/64/577675164.db2.gz HELGOGVQKHLPNX-UHFFFAOYSA-N -1 0 326.374 2.288 20 5 EEBDRM O=C([N-]S(=O)(=O)CC1CCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000755118488 577819960 /nfs/dbraw/zinc/81/99/60/577819960.db2.gz QTSZAPDLXLZMQK-UHFFFAOYSA-N -1 0 338.341 2.201 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000756276523 577841321 /nfs/dbraw/zinc/84/13/21/577841321.db2.gz YKULHJGTBVMSFN-UHFFFAOYSA-N -1 0 342.417 2.410 20 5 EEBDRM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000744132831 577893252 /nfs/dbraw/zinc/89/32/52/577893252.db2.gz RZHPORAYZNOJNH-DTWKUNHWSA-N -1 0 332.403 2.288 20 5 EEBDRM O=C(OCc1noc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000747129006 577939679 /nfs/dbraw/zinc/93/96/79/577939679.db2.gz IWGQTHBUGQCGKE-UHFFFAOYSA-N -1 0 332.247 2.469 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(Br)n1Cc1cc(C(=O)[O-])co1 ZINC000738870102 578029361 /nfs/dbraw/zinc/02/93/61/578029361.db2.gz VNDMTDYHWJNZBV-UHFFFAOYSA-N -1 0 330.094 2.202 20 5 EEBDRM Cn1ncc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C1CC1 ZINC000739059797 578036863 /nfs/dbraw/zinc/03/68/63/578036863.db2.gz NISCLBMLCCMTEG-UHFFFAOYSA-N -1 0 330.300 2.156 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000739203487 578043805 /nfs/dbraw/zinc/04/38/05/578043805.db2.gz GADFWEGBSRRSMB-CYBMUJFWSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000739252067 578045721 /nfs/dbraw/zinc/04/57/21/578045721.db2.gz UAEAQXHAUDMVAG-UHFFFAOYSA-N -1 0 330.300 2.129 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc3nccnc3c2)cc([N+](=O)[O-])c1 ZINC000740089478 578080419 /nfs/dbraw/zinc/08/04/19/578080419.db2.gz YQQWFTYPIMNZCP-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM CCCc1[nH]nc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000737038717 578234407 /nfs/dbraw/zinc/23/44/07/578234407.db2.gz BQQBYSZGATYLDL-UHFFFAOYSA-N -1 0 332.316 2.150 20 5 EEBDRM CN(CCCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C(=O)[O-] ZINC000737429915 578257014 /nfs/dbraw/zinc/25/70/14/578257014.db2.gz QHGMWACRVRWJJU-UHFFFAOYSA-N -1 0 347.331 2.313 20 5 EEBDRM CN(CCOc1ccccc1F)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738000647 578275968 /nfs/dbraw/zinc/27/59/68/578275968.db2.gz GDINUQOPRRWDEV-UHFFFAOYSA-N -1 0 335.291 2.342 20 5 EEBDRM COc1ccc(NC(=O)CS[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000738030402 578277120 /nfs/dbraw/zinc/27/71/20/578277120.db2.gz BFNOLRMEWRFTJW-QMMMGPOBSA-N -1 0 328.346 2.138 20 5 EEBDRM Cc1c(Br)cc(C(=O)NCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000820934244 597383811 /nfs/dbraw/zinc/38/38/11/597383811.db2.gz NVLYCMOOKZRFTK-UHFFFAOYSA-N -1 0 345.149 2.260 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000820437675 597399219 /nfs/dbraw/zinc/39/92/19/597399219.db2.gz KIRGYXXROVTMMU-ZANVPECISA-N -1 0 326.374 2.302 20 5 EEBDRM O=C([O-])CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000819513365 597439432 /nfs/dbraw/zinc/43/94/32/597439432.db2.gz MGRTUIMAMYJERF-UHFFFAOYSA-N -1 0 344.279 2.055 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000820041502 597710015 /nfs/dbraw/zinc/71/00/15/597710015.db2.gz HHVXGVLBTORBHM-SNVBAGLBSA-N -1 0 332.259 2.035 20 5 EEBDRM CNC(=O)c1ccc(N[C@H](Cc2ccccc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000820640470 597791989 /nfs/dbraw/zinc/79/19/89/597791989.db2.gz ALHDOXOOYCKOBC-CQSZACIVSA-N -1 0 343.339 2.062 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000821544830 598159663 /nfs/dbraw/zinc/15/96/63/598159663.db2.gz NTQVARDNKUZRGB-UHFFFAOYSA-N -1 0 329.264 2.333 20 5 EEBDRM O=C([O-])N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000115058743 600810278 /nfs/dbraw/zinc/81/02/78/600810278.db2.gz OYJIRISKFPNAKR-UHFFFAOYSA-N -1 0 330.138 2.157 20 5 EEBDRM Cc1cc(NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000832896761 600986620 /nfs/dbraw/zinc/98/66/20/600986620.db2.gz MBRXROZJZUOEGX-LBPRGKRZSA-N -1 0 331.328 2.359 20 5 EEBDRM O=C([O-])C1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000833143259 601419167 /nfs/dbraw/zinc/41/91/67/601419167.db2.gz BHNQJIRBPQQGGD-UHFFFAOYSA-N -1 0 335.360 2.082 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC(=O)[O-])C1CC1 ZINC000827889335 601637285 /nfs/dbraw/zinc/63/72/85/601637285.db2.gz BNYSDNRDWZZVDK-MRVPVSSYSA-N -1 0 342.735 2.091 20 5 EEBDRM CC[C@@]1(C)CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829051037 602152280 /nfs/dbraw/zinc/15/22/80/602152280.db2.gz ZOAPODPUUFAVRJ-INIZCTEOSA-N -1 0 335.360 2.036 20 5 EEBDRM CSCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000810534936 1199572775 /nfs/dbraw/zinc/57/27/75/1199572775.db2.gz DJHDAGLGLXODQE-UHFFFAOYSA-N -1 0 346.430 2.097 20 5 EEBDRM Cc1oncc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795339402 1211995460 /nfs/dbraw/zinc/99/54/60/1211995460.db2.gz IHWOKWCQCJPRHR-UHFFFAOYSA-N -1 0 335.700 2.485 20 5 EEBDRM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000800398653 1234104103 /nfs/dbraw/zinc/10/41/03/1234104103.db2.gz QKXJCVSVQYQPGZ-LBPRGKRZSA-N -1 0 342.417 2.410 20 5 EEBDRM O=C(CCNC(=O)c1cccc([N+](=O)[O-])c1[O-])OC1CCCCC1 ZINC000801554813 1235831690 /nfs/dbraw/zinc/83/16/90/1235831690.db2.gz SMJNABNROCMPAN-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM Cc1cc(=O)c(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000802170998 1237042953 /nfs/dbraw/zinc/04/29/53/1237042953.db2.gz BVPBXXLIBHPKCX-UHFFFAOYSA-N -1 0 331.328 2.420 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@](O)(c2ccccc2)C1 ZINC000862799367 1295967379 /nfs/dbraw/zinc/96/73/79/1295967379.db2.gz DJOSBVBNXDNLBQ-GOSISDBHSA-N -1 0 342.351 2.424 20 5 EEBDRM O=[N+]([O-])C[C@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001225490724 1301021769 /nfs/dbraw/zinc/02/17/69/1301021769.db2.gz JTRRMGMGXPYRKH-HNNXBMFYSA-N -1 0 348.267 2.426 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H]2CCc3cccc(C)c32)c1[N+](=O)[O-] ZINC001226651919 1301494752 /nfs/dbraw/zinc/49/47/52/1301494752.db2.gz KLYJKZIEWFEIMC-JTQLQIEISA-N -1 0 345.311 2.252 20 5 EEBDRM C[C@@H](Oc1[n-]c(=O)nnc1Br)c1ccccc1[N+](=O)[O-] ZINC001227065227 1301670651 /nfs/dbraw/zinc/67/06/51/1301670651.db2.gz YCTNDBLALSJGSI-ZCFIWIBFSA-N -1 0 341.121 2.388 20 5 EEBDRM O=C([O-])C[C@H](O)C(=O)Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC001231253526 1303704246 /nfs/dbraw/zinc/70/42/46/1303704246.db2.gz MNWPUOQHDLNTKP-AWEZNQCLSA-N -1 0 331.280 2.003 20 5 EEBDRM C[C@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000781845593 1303878904 /nfs/dbraw/zinc/87/89/04/1303878904.db2.gz UYVRPINZKYVDJP-CUQRQBARSA-N -1 0 342.348 2.285 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C23CCC(CC2)C3)ccc1[N+](=O)[O-] ZINC000784873589 1304562177 /nfs/dbraw/zinc/56/21/77/1304562177.db2.gz NXRMLZGRXKXFNP-UHFFFAOYSA-N -1 0 338.385 2.288 20 5 EEBDRM CN(C)c1nc2c(s1)CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])CC2 ZINC001123977518 1310788697 /nfs/dbraw/zinc/78/86/97/1310788697.db2.gz PEWRQIPTJVKWKB-UHFFFAOYSA-N -1 0 348.384 2.021 20 5 EEBDRM CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1nnn[n-]1 ZINC000829801923 1314516092 /nfs/dbraw/zinc/51/60/92/1314516092.db2.gz UVFOPHSWBJHVCL-SNVBAGLBSA-N -1 0 338.755 2.341 20 5 EEBDRM CC(C)[C@H](CO)O[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000836897655 1315040352 /nfs/dbraw/zinc/04/03/52/1315040352.db2.gz HYGYCNDFIHLJHD-RNCFNFMXSA-N -1 0 346.767 2.080 20 5 EEBDRM CNC(=O)c1ccc2nc(-c3cc([O-])ccc3[N+](=O)[O-])n(C)c2c1 ZINC001250854044 1317347784 /nfs/dbraw/zinc/34/77/84/1317347784.db2.gz MMJXJPLTWSTITC-UHFFFAOYSA-N -1 0 326.312 2.214 20 5 EEBDRM Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001600483416 1350062249 /nfs/dbraw/zinc/06/22/49/1350062249.db2.gz HLNGWLZIHJQYJB-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])[C@]12CN(c3nc4ccccn4c3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001602206536 1350465228 /nfs/dbraw/zinc/46/52/28/1350465228.db2.gz NRZNQUWYNCKNAF-BDJLRTHQSA-N -1 0 330.344 2.324 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC001602391610 1350509796 /nfs/dbraw/zinc/50/97/96/1350509796.db2.gz BHLXYZNXJMPYAY-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM COc1cccc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c1 ZINC001605317141 1351135012 /nfs/dbraw/zinc/13/50/12/1351135012.db2.gz STFUQDKJFDKMJX-UHFFFAOYSA-N -1 0 340.343 2.420 20 5 EEBDRM Cc1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)sc1C(=O)[O-] ZINC001607691066 1351540638 /nfs/dbraw/zinc/54/06/38/1351540638.db2.gz KQOZFQNWKQYVDV-UHFFFAOYSA-N -1 0 330.709 2.292 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cnccn1 ZINC001309639660 1331636782 /nfs/dbraw/zinc/63/67/82/1331636782.db2.gz VALQFIUXFMXJCC-MRVPVSSYSA-N -1 0 342.764 2.078 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001608805716 1351767771 /nfs/dbraw/zinc/76/77/71/1351767771.db2.gz FXZNXHTZMXNHFP-APPZFPTMSA-N -1 0 349.748 2.210 20 5 EEBDRM O=C([O-])c1cc(-c2nc(Cc3ccncc3)no2)cc([N+](=O)[O-])c1 ZINC001608833097 1351774486 /nfs/dbraw/zinc/77/44/86/1351774486.db2.gz VJYDQPYRNGHPLT-UHFFFAOYSA-N -1 0 326.268 2.329 20 5 EEBDRM O=C([O-])c1cc(C2CN(c3ncc([N+](=O)[O-])c4ccccc43)C2)[nH]n1 ZINC001608841379 1351776495 /nfs/dbraw/zinc/77/64/95/1351776495.db2.gz ONCFVBAGKQESFW-UHFFFAOYSA-N -1 0 339.311 2.168 20 5 EEBDRM O=C([O-])c1ccc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(F)c1 ZINC001608893998 1351788468 /nfs/dbraw/zinc/78/84/68/1351788468.db2.gz MJQZUAPBWZIQPT-UHFFFAOYSA-N -1 0 343.270 2.190 20 5 EEBDRM O=C([O-])c1cccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC001608927896 1351796245 /nfs/dbraw/zinc/79/62/45/1351796245.db2.gz JMUAXQWCASDZGQ-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM O=C([O-])c1ccccc1OCCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC001608948955 1351801292 /nfs/dbraw/zinc/80/12/92/1351801292.db2.gz OLPJYYWVPHEPTM-UHFFFAOYSA-N -1 0 338.703 2.187 20 5 EEBDRM O=C([O-])c1coc(/C=C\C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001608987354 1351808847 /nfs/dbraw/zinc/80/88/47/1351808847.db2.gz OAOJLGFPBXQNOQ-ARJAWSKDSA-N -1 0 328.280 2.489 20 5 EEBDRM O=C([O-])c1ncccc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001609000070 1351811429 /nfs/dbraw/zinc/81/14/29/1351811429.db2.gz IFTKCJCGWXUZSQ-VXGBXAGGSA-N -1 0 327.296 2.430 20 5 EEBDRM CNC(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC001324107942 1333610693 /nfs/dbraw/zinc/61/06/93/1333610693.db2.gz SEUNMWTXWWWWDZ-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM C[C@H](C(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1cccc([N+](=O)[O-])c1 ZINC001609635174 1352047045 /nfs/dbraw/zinc/04/70/45/1352047045.db2.gz VQWLFCGILCMZSO-VIFPVBQESA-N -1 0 347.327 2.436 20 5 EEBDRM CC(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n(C)c1 ZINC001609628347 1352045450 /nfs/dbraw/zinc/04/54/50/1352045450.db2.gz QAMABSPMDXJPRM-UHFFFAOYSA-N -1 0 345.311 2.395 20 5 EEBDRM CC(C)(CC(=O)[O-])CC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001609673447 1352055708 /nfs/dbraw/zinc/05/57/08/1352055708.db2.gz NXPVXQCLJRDPJC-UHFFFAOYSA-N -1 0 340.288 2.437 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001609729701 1352070964 /nfs/dbraw/zinc/07/09/64/1352070964.db2.gz AQXXIWJVEILLRN-MRXNPFEDSA-N -1 0 329.312 2.110 20 5 EEBDRM C[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)C[C@H](C)S1 ZINC001338058070 1336783144 /nfs/dbraw/zinc/78/31/44/1336783144.db2.gz ADUVIYFGOIRERO-UWVGGRQHSA-N -1 0 349.416 2.426 20 5 EEBDRM C[C@@H]1CCCN1c1nc(N2CCC[C@@H]2C)nc(C(=O)[O-])c1[N+](=O)[O-] ZINC001609853969 1352102374 /nfs/dbraw/zinc/10/23/74/1352102374.db2.gz ANWLBIQVJCRHHF-ZJUUUORDSA-N -1 0 335.364 2.060 20 5 EEBDRM COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610169317 1352177992 /nfs/dbraw/zinc/17/79/92/1352177992.db2.gz VSIFPNRSMMOSMG-HZMBPMFUSA-N -1 0 336.344 2.067 20 5 EEBDRM CCC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847893428 1338366169 /nfs/dbraw/zinc/36/61/69/1338366169.db2.gz AMKRAKIEZVCGGL-JQWIXIFHSA-N -1 0 341.389 2.011 20 5 EEBDRM CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847893140 1338366754 /nfs/dbraw/zinc/36/67/54/1338366754.db2.gz ONHKPAUJATXSIX-NSHDSACASA-N -1 0 343.405 2.401 20 5 EEBDRM COc1cc(Cc2noc(-c3ccc(C(=O)[O-])[nH]3)n2)ccc1[N+](=O)[O-] ZINC001610299129 1352201913 /nfs/dbraw/zinc/20/19/13/1352201913.db2.gz UEHRRZQAODCKIW-UHFFFAOYSA-N -1 0 344.283 2.271 20 5 EEBDRM Cc1cc(N2CC[C@@H](Nc3ncccn3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610468168 1352228025 /nfs/dbraw/zinc/22/80/25/1352228025.db2.gz MWUGLORYAJVGMY-LLVKDONJSA-N -1 0 343.343 2.082 20 5 EEBDRM Cc1nc2ccccc2n1CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610561368 1352245279 /nfs/dbraw/zinc/24/52/79/1352245279.db2.gz FBIQDBZFPRUCDU-UHFFFAOYSA-N -1 0 341.327 2.458 20 5 EEBDRM NC(=O)C1(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCCC1 ZINC001610634776 1352256481 /nfs/dbraw/zinc/25/64/81/1352256481.db2.gz IBDMIYBSSMESFK-UHFFFAOYSA-N -1 0 341.751 2.404 20 5 EEBDRM O=C([O-])Cc1ccc(Nc2cnn(C[C@@H]3CCCO3)c2)c([N+](=O)[O-])c1 ZINC001610792566 1352275475 /nfs/dbraw/zinc/27/54/75/1352275475.db2.gz QXLBYUQJJVVOSW-ZDUSSCGKSA-N -1 0 346.343 2.341 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC[C@@H](O)COc2ccccc2)c1 ZINC001610840946 1352283692 /nfs/dbraw/zinc/28/36/92/1352283692.db2.gz HKAVYINESVXXGG-LBPRGKRZSA-N -1 0 333.296 2.112 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2cccc([C@@H]3CNC(=O)C3)c2)n1 ZINC001610882740 1352290337 /nfs/dbraw/zinc/29/03/37/1352290337.db2.gz BMGIVCCSIACAKE-JTQLQIEISA-N -1 0 342.311 2.035 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)cnc1Oc1ccc(F)nc1-c1nnn[n-]1 ZINC001593471118 1349806060 /nfs/dbraw/zinc/80/60/60/1349806060.db2.gz JHHUCVWKXGZWNL-UHFFFAOYSA-N -1 0 337.658 2.150 20 5 EEBDRM c1nc(-c2nnn[n-]2)nn1Cc1nc2ccccc2c2ccccc21 ZINC001593580320 1349862370 /nfs/dbraw/zinc/86/23/70/1349862370.db2.gz TXOIIQZKYHIJML-UHFFFAOYSA-N -1 0 328.339 2.208 20 5 EEBDRM Cc1c(NC(=O)N2CCCOC[C@@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600036760 1349959294 /nfs/dbraw/zinc/95/92/94/1349959294.db2.gz HQVFHDBJJHTVCJ-VIFPVBQESA-N -1 0 337.332 2.244 20 5 EEBDRM Cc1c(NC(=O)N[C@H](C)[C@H]2CCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039926 1349960238 /nfs/dbraw/zinc/96/02/38/1349960238.db2.gz KJGARODNWOUNIW-ZJUUUORDSA-N -1 0 337.332 2.148 20 5 EEBDRM Cc1c(NC(=O)NCc2ncccc2F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044724 1349960945 /nfs/dbraw/zinc/96/09/45/1349960945.db2.gz NIKGTKSJSASAJK-UHFFFAOYSA-N -1 0 348.290 2.457 20 5 EEBDRM Cc1c(NC(=O)NC[C@H]2CC[C@H](C)O2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043544 1349961006 /nfs/dbraw/zinc/96/10/06/1349961006.db2.gz UMCPJOXSZUZFLY-GZMMTYOYSA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)n1C ZINC001600094394 1349969719 /nfs/dbraw/zinc/96/97/19/1349969719.db2.gz ZFEHEHIKMSHEBW-UHFFFAOYSA-N -1 0 331.328 2.178 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](CC(N)=O)c2ccccc2)n1 ZINC001600105197 1349972225 /nfs/dbraw/zinc/97/22/25/1349972225.db2.gz CGWSDWMKCXMELI-LBPRGKRZSA-N -1 0 344.327 2.025 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001600164253 1349983544 /nfs/dbraw/zinc/98/35/44/1349983544.db2.gz JIRPYJVCIYYMQY-AWEZNQCLSA-N -1 0 325.296 2.242 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)COc1nc(C)cc(C)c1[N+](=O)[O-] ZINC001600164992 1349983930 /nfs/dbraw/zinc/98/39/30/1349983930.db2.gz UGYRQEMOQJVTHP-UHFFFAOYSA-N -1 0 333.300 2.203 20 5 EEBDRM Cc1cc(Cl)c(C(=O)OCCCC(=O)C(=O)[O-])cc1[N+](=O)[O-] ZINC001600216387 1349995224 /nfs/dbraw/zinc/99/52/24/1349995224.db2.gz FQZFLKVBSZXXAV-UHFFFAOYSA-N -1 0 329.692 2.147 20 5 EEBDRM Cc1cc(OCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001600288321 1350011662 /nfs/dbraw/zinc/01/16/62/1350011662.db2.gz BODKVEHPYOUPGZ-MRXNPFEDSA-N -1 0 344.323 2.224 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC001600305420 1350016081 /nfs/dbraw/zinc/01/60/81/1350016081.db2.gz XPAGFKHPAGSVOI-HZMBPMFUSA-N -1 0 335.360 2.027 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001600307239 1350016609 /nfs/dbraw/zinc/01/66/09/1350016609.db2.gz OBOAGPGNPGFGDX-UHFFFAOYSA-N -1 0 332.316 2.368 20 5 EEBDRM Cc1ccc(OS(=O)(=O)C2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001600472336 1350060301 /nfs/dbraw/zinc/06/03/01/1350060301.db2.gz LRLLWEBIQDGNOA-UHFFFAOYSA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)c1C ZINC001600487343 1350063177 /nfs/dbraw/zinc/06/31/77/1350063177.db2.gz YNNUNMCJSAIBEC-UHFFFAOYSA-N -1 0 331.284 2.263 20 5 EEBDRM Cc1ccnc(N2CCOc3cc(C(=O)[O-])ccc3C2)c1[N+](=O)[O-] ZINC001600601082 1350094857 /nfs/dbraw/zinc/09/48/57/1350094857.db2.gz BHSMISRRIINFBI-UHFFFAOYSA-N -1 0 329.312 2.395 20 5 EEBDRM Cn1c(Cl)cnc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001600918201 1350168538 /nfs/dbraw/zinc/16/85/38/1350168538.db2.gz OSITUUZRWVDWKS-AWEZNQCLSA-N -1 0 338.751 2.071 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001601214226 1350233019 /nfs/dbraw/zinc/23/30/19/1350233019.db2.gz HPRZBDKTCABINT-UHFFFAOYSA-N -1 0 327.296 2.078 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001601214089 1350233028 /nfs/dbraw/zinc/23/30/28/1350233028.db2.gz FTTYWIGKLSIQRX-GFCCVEGCSA-N -1 0 327.296 2.006 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001601214423 1350233129 /nfs/dbraw/zinc/23/31/29/1350233129.db2.gz ZMCDYIIERWWGFA-UHFFFAOYSA-N -1 0 339.323 2.081 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC001601345237 1350262487 /nfs/dbraw/zinc/26/24/87/1350262487.db2.gz UJVGQEAEKUNZKP-UHFFFAOYSA-N -1 0 335.243 2.417 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001601361487 1350266625 /nfs/dbraw/zinc/26/66/25/1350266625.db2.gz LBMYJSYOGYGRNN-UHFFFAOYSA-N -1 0 332.287 2.291 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)CCO2 ZINC001601398367 1350274480 /nfs/dbraw/zinc/27/44/80/1350274480.db2.gz MUPGCGUJTIULPP-CYBMUJFWSA-N -1 0 348.336 2.147 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c2ccccc12 ZINC001601598917 1350316069 /nfs/dbraw/zinc/31/60/69/1350316069.db2.gz MFAAMDAYIOQVPP-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])C1=CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001601736319 1350351586 /nfs/dbraw/zinc/35/15/86/1350351586.db2.gz XCKWMBKOGVHKNH-QMMMGPOBSA-N -1 0 342.254 2.099 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001601860527 1350383251 /nfs/dbraw/zinc/38/32/51/1350383251.db2.gz SLIASSCEWGMLMC-WMLLRYHISA-N -1 0 344.367 2.314 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](Nc3ncnc4cccc([N+](=O)[O-])c43)[C@@H]2C1 ZINC001601863330 1350384249 /nfs/dbraw/zinc/38/42/49/1350384249.db2.gz CSUJYEHSJPABOC-BFLSOPEQSA-N -1 0 328.328 2.449 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001601903464 1350393747 /nfs/dbraw/zinc/39/37/47/1350393747.db2.gz SOHFUZKNBDRTTG-GMTAPVOTSA-N -1 0 346.261 2.003 20 5 EEBDRM O=C([O-])CC1(COC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC001601921547 1350397649 /nfs/dbraw/zinc/39/76/49/1350397649.db2.gz DVAXTAWMQPGPMH-UHFFFAOYSA-N -1 0 337.313 2.011 20 5 EEBDRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001602107260 1350439876 /nfs/dbraw/zinc/43/98/76/1350439876.db2.gz SCVGPQSAJPLEAN-SPWCGHHHSA-N -1 0 332.356 2.458 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@@H](O)c2ccccn2)cc1Cl ZINC001602298650 1350487813 /nfs/dbraw/zinc/48/78/13/1350487813.db2.gz CCFAQJJIJZMWIJ-CYBMUJFWSA-N -1 0 337.719 2.487 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])s1 ZINC001602402536 1350511098 /nfs/dbraw/zinc/51/10/98/1350511098.db2.gz LFSBRMRYAJULNV-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)[C@H]2CSCCS2)c1 ZINC001602404148 1350511313 /nfs/dbraw/zinc/51/13/13/1350511313.db2.gz RUUXTCWBIYDCQN-LLVKDONJSA-N -1 0 343.382 2.185 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccnc(-n3cccn3)c2)c1 ZINC001602405787 1350512058 /nfs/dbraw/zinc/51/20/58/1350512058.db2.gz MGFCYWAJOUCUPY-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])c1ccc2c(c1)OCCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001602426296 1350516715 /nfs/dbraw/zinc/51/67/15/1350516715.db2.gz PUENOLCDOVCMHF-UHFFFAOYSA-N -1 0 333.275 2.226 20 5 EEBDRM O=C([O-])c1cccc(COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC001602439510 1350519921 /nfs/dbraw/zinc/51/99/21/1350519921.db2.gz LRAQUPHUAIBORJ-UHFFFAOYSA-N -1 0 338.222 2.323 20 5 EEBDRM O=C([O-])c1cccc2c1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC001602457230 1350523410 /nfs/dbraw/zinc/52/34/10/1350523410.db2.gz GVXUXZSCPDQDDW-UHFFFAOYSA-N -1 0 342.307 2.261 20 5 EEBDRM O=C([O-])C1CC(OC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001602602676 1350555035 /nfs/dbraw/zinc/55/50/35/1350555035.db2.gz DBVPOXHCZYYELW-UHFFFAOYSA-N -1 0 344.117 2.377 20 5 EEBDRM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)OCCCC(=O)[O-] ZINC001603066855 1350630881 /nfs/dbraw/zinc/63/08/81/1350630881.db2.gz PVVUQJZCRMWANG-UHFFFAOYSA-N -1 0 344.707 2.228 20 5 EEBDRM C[C@H](NCc1ccc(-c2nn[nH]n2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001603668452 1350738039 /nfs/dbraw/zinc/73/80/39/1350738039.db2.gz VWNGWXUTBGHGFH-JTQLQIEISA-N -1 0 325.332 2.021 20 5 EEBDRM C[C@@H](c1cccc(Cl)c1F)n1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1 ZINC001603734948 1350754845 /nfs/dbraw/zinc/75/48/45/1350754845.db2.gz LEWPGSFDFBPYEA-LURJTMIESA-N -1 0 337.702 2.373 20 5 EEBDRM CC(F)(F)CN1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001604251256 1350902603 /nfs/dbraw/zinc/90/26/03/1350902603.db2.gz YEZMAWZLGQFEGF-UHFFFAOYSA-N -1 0 343.330 2.066 20 5 EEBDRM C[C@@](NCc1cn(C2CC2)cn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604349285 1350921812 /nfs/dbraw/zinc/92/18/12/1350921812.db2.gz RLXLDYFSTVNRHS-INIZCTEOSA-N -1 0 330.344 2.216 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001604450773 1350940519 /nfs/dbraw/zinc/94/05/19/1350940519.db2.gz WKEOIIHILGTGNK-QMMMGPOBSA-N -1 0 348.340 2.202 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001604493292 1350948610 /nfs/dbraw/zinc/94/86/10/1350948610.db2.gz HGIWNRUNGBYIMA-JJRVBVJISA-N -1 0 332.356 2.412 20 5 EEBDRM CCc1noc(C)c1CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604586538 1350965174 /nfs/dbraw/zinc/96/51/74/1350965174.db2.gz NEXFXJDSVASUQQ-UHFFFAOYSA-N -1 0 329.320 2.246 20 5 EEBDRM C[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC001604812604 1351012700 /nfs/dbraw/zinc/01/27/00/1351012700.db2.gz YXHWCASEVWMNIU-PELKAZGASA-N -1 0 348.277 2.378 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)COc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604936076 1351035373 /nfs/dbraw/zinc/03/53/73/1351035373.db2.gz PEXBUUWKTKMTRS-ISVAXAHUSA-N -1 0 344.751 2.243 20 5 EEBDRM CSC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001605377200 1351147884 /nfs/dbraw/zinc/14/78/84/1351147884.db2.gz PVAOTBOVZRJWGZ-SNVBAGLBSA-N -1 0 334.405 2.354 20 5 EEBDRM Cc1ccccc1[C@H](O)CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001605935437 1351256268 /nfs/dbraw/zinc/25/62/68/1351256268.db2.gz SDGIHSLZNVBAMG-CQSZACIVSA-N -1 0 340.343 2.229 20 5 EEBDRM COC(=O)c1cc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])oc1C ZINC001606543710 1351320753 /nfs/dbraw/zinc/32/07/53/1351320753.db2.gz IBWRLYLDHUNDDC-UHFFFAOYSA-N -1 0 349.299 2.297 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001607190805 1351446052 /nfs/dbraw/zinc/44/60/52/1351446052.db2.gz AFYXEYGBKDDSAB-UHFFFAOYSA-N -1 0 334.288 2.284 20 5 EEBDRM COc1ccc(CC(=O)O[C@H]2C=CC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001607243515 1351457348 /nfs/dbraw/zinc/45/73/48/1351457348.db2.gz JDVMTCSDNLROJC-NEPJUHHUSA-N -1 0 335.312 2.109 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC001607496497 1351505025 /nfs/dbraw/zinc/50/50/25/1351505025.db2.gz ZUFWCATXOKPWBU-UHFFFAOYSA-N -1 0 348.311 2.474 20 5 EEBDRM Cc1c(NCC(=O)N2CCCCCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607548342 1351514056 /nfs/dbraw/zinc/51/40/56/1351514056.db2.gz FJUHEDRWXBVTBD-UHFFFAOYSA-N -1 0 335.360 2.416 20 5 EEBDRM Cc1cc(N2CCC[C@H](n3ccnn3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607670187 1351536657 /nfs/dbraw/zinc/53/66/57/1351536657.db2.gz VIIMJSWKKIZDOJ-LBPRGKRZSA-N -1 0 345.359 2.425 20 5 EEBDRM Cc1ccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c(N)c1[N+](=O)[O-] ZINC001607800560 1351561566 /nfs/dbraw/zinc/56/15/66/1351561566.db2.gz NLWPRZJFSRLKPH-UHFFFAOYSA-N -1 0 329.312 2.365 20 5 EEBDRM Cc1nsc(C)c1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001608030520 1351610129 /nfs/dbraw/zinc/61/01/29/1351610129.db2.gz NELCCXOODSJSDE-OAHLLOKOSA-N -1 0 349.368 2.398 20 5 EEBDRM Cn1c(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)ccc1[N+](=O)[O-] ZINC001608079950 1351620872 /nfs/dbraw/zinc/62/08/72/1351620872.db2.gz WBAPUYMVPWMGPB-UHFFFAOYSA-N -1 0 325.227 2.162 20 5 EEBDRM Cn1cc(C(=O)[O-])c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001608100515 1351625145 /nfs/dbraw/zinc/62/51/45/1351625145.db2.gz XFIRLIPRQYHPPE-UHFFFAOYSA-N -1 0 330.256 2.025 20 5 EEBDRM NC(=O)Nc1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001608239709 1351654226 /nfs/dbraw/zinc/65/42/26/1351654226.db2.gz QOBWUJQWICFMHJ-UHFFFAOYSA-N -1 0 344.327 2.325 20 5 EEBDRM CON(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000781087030 1371187821 /nfs/dbraw/zinc/18/78/21/1371187821.db2.gz FAAWZGKXDCLGOA-UHFFFAOYSA-N -1 0 345.311 2.186 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C2CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000797036250 1371497716 /nfs/dbraw/zinc/49/77/16/1371497716.db2.gz GGAVNJQWHVDLBJ-UHFFFAOYSA-N -1 0 326.374 2.144 20 5 EEBDRM O=C(NC[C@@H]1CCCN1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000830949848 1372358830 /nfs/dbraw/zinc/35/88/30/1372358830.db2.gz YFICOECVAKJLJR-JTQLQIEISA-N -1 0 347.293 2.057 20 5 EEBDRM C[C@@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000835154272 1372597465 /nfs/dbraw/zinc/59/74/65/1372597465.db2.gz AYNVNFVQDWIUKP-PELKAZGASA-N -1 0 332.403 2.288 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000796704932 774500817 /nfs/dbraw/zinc/50/08/17/774500817.db2.gz FOLCUJNNKXANBK-SNVBAGLBSA-N -1 0 344.389 2.099 20 5 EEBDRM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000820058322 785763952 /nfs/dbraw/zinc/76/39/52/785763952.db2.gz GWJGLAKPVSFJEH-SCZZXKLOSA-N -1 0 332.403 2.288 20 5 EEBDRM C[C@]1(C(=O)[O-])CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000910480599 786811157 /nfs/dbraw/zinc/81/11/57/786811157.db2.gz WZDQGIYAXDFQOH-GFCCVEGCSA-N -1 0 334.250 2.294 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000844207916 788926339 /nfs/dbraw/zinc/92/63/39/788926339.db2.gz OIYANJHPMAFAEI-LBPRGKRZSA-N -1 0 330.344 2.329 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@](C)(O)c2ccc(F)cc2)n1 ZINC000844209740 788928928 /nfs/dbraw/zinc/92/89/28/788928928.db2.gz MRXGEGNYOWSUDG-MRXNPFEDSA-N -1 0 349.318 2.455 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)C[C@@](C)(O)c2ccccc2)n1 ZINC000844210265 788929635 /nfs/dbraw/zinc/92/96/35/788929635.db2.gz SOVRZAFMGVRMTC-QGZVFWFLSA-N -1 0 345.355 2.340 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2COC3(CCCC3)O2)n1 ZINC000844211291 788929944 /nfs/dbraw/zinc/92/99/44/788929944.db2.gz YBRVAGCZZWDSKA-JTQLQIEISA-N -1 0 337.332 2.094 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000171265169 791320918 /nfs/dbraw/zinc/32/09/18/791320918.db2.gz GAHSYQAACIWMTJ-UHFFFAOYSA-N -1 0 338.320 2.202 20 5 EEBDRM O=C([O-])c1ccc(Nc2cccc3c2CCNC3=O)cc1[N+](=O)[O-] ZINC001174505928 797784925 /nfs/dbraw/zinc/78/49/25/797784925.db2.gz UWZBKPQBOHUVTR-UHFFFAOYSA-N -1 0 327.296 2.323 20 5 EEBDRM Cc1cc2[nH]c(=O)n(-c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c2cc1N ZINC001174504772 797784999 /nfs/dbraw/zinc/78/49/99/797784999.db2.gz JCUNDTOHYOKUSU-UHFFFAOYSA-N -1 0 328.284 2.228 20 5 EEBDRM CS(=O)(=O)c1cccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174504695 797785072 /nfs/dbraw/zinc/78/50/72/797785072.db2.gz ZAOPXNLDCYFWRU-UHFFFAOYSA-N -1 0 336.325 2.440 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000793142408 810159590 /nfs/dbraw/zinc/15/95/90/810159590.db2.gz IHNHWRKOLCPRKL-UHFFFAOYSA-N -1 0 343.405 2.132 20 5 EEBDRM CNc1c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001610960240 970808427 /nfs/dbraw/zinc/80/84/27/970808427.db2.gz NLAPLPQXUXUOCC-NSHDSACASA-N -1 0 335.360 2.354 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(=O)[O-])CC1CC1 ZINC001589560844 948805897 /nfs/dbraw/zinc/80/58/97/948805897.db2.gz ABXJPAIPSUNOQD-AWEZNQCLSA-N -1 0 334.372 2.487 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001589382686 954290018 /nfs/dbraw/zinc/29/00/18/954290018.db2.gz JVBAJAYSJIKVBO-MISXGVKJSA-N -1 0 335.360 2.408 20 5 EEBDRM C[C@@H](CN(C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C(=O)[O-] ZINC001589033386 955538129 /nfs/dbraw/zinc/53/81/29/955538129.db2.gz DHBVCUUKRMTFDJ-QMMMGPOBSA-N -1 0 334.288 2.208 20 5 EEBDRM CC(C)Oc1cc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC001603080462 972151676 /nfs/dbraw/zinc/15/16/76/972151676.db2.gz QONGGVKJSTWJAE-GFCCVEGCSA-N -1 0 338.360 2.469 20 5 EEBDRM C[C@@](O)(CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC001589148784 956325746 /nfs/dbraw/zinc/32/57/46/956325746.db2.gz ZXOXMCCLXXSICL-OAHLLOKOSA-N -1 0 335.291 2.043 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)nc1 ZINC001574802504 957840472 /nfs/dbraw/zinc/84/04/72/957840472.db2.gz IDIPRPVZSKSREH-OLZOCXBDSA-N -1 0 327.296 2.430 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001594112373 958525397 /nfs/dbraw/zinc/52/53/97/958525397.db2.gz NBHKNYNRECDBAG-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N3CCC[C@H](C(=O)[O-])C3)c2c1 ZINC001594117316 958560219 /nfs/dbraw/zinc/56/02/19/958560219.db2.gz KODVFRYBAMEBNH-JTQLQIEISA-N -1 0 331.328 2.453 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000136121116 958896236 /nfs/dbraw/zinc/89/62/36/958896236.db2.gz FCFOXBOKBKDMEW-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM C[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC001588554032 959043968 /nfs/dbraw/zinc/04/39/68/959043968.db2.gz LDQFSXDFOITQLD-RNCFNFMXSA-N -1 0 338.335 2.455 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001603360007 972819441 /nfs/dbraw/zinc/81/94/41/972819441.db2.gz HXXXNFLGTTWMPN-DZGBDDFRSA-N -1 0 332.356 2.268 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001603389027 972999335 /nfs/dbraw/zinc/99/93/35/972999335.db2.gz VYZHXCXNZHWTNI-UWVGGRQHSA-N -1 0 331.328 2.401 20 5 EEBDRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001592216796 977285248 /nfs/dbraw/zinc/28/52/48/977285248.db2.gz KEJCJDSVOJFMPV-CYNONHLPSA-N -1 0 347.352 2.477 20 5 EEBDRM C[C@H](CC(=O)[O-])CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001592387718 977930958 /nfs/dbraw/zinc/93/09/58/977930958.db2.gz HNXBHHBUAFCHRQ-JTQLQIEISA-N -1 0 333.344 2.236 20 5 EEBDRM CC(C)N1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000833498850 979194057 /nfs/dbraw/zinc/19/40/57/979194057.db2.gz IIHKUYFTWQEGFQ-UHFFFAOYSA-N -1 0 341.751 2.003 20 5 EEBDRM CC[C@H]1CCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595441185 981078740 /nfs/dbraw/zinc/07/87/40/981078740.db2.gz OCUSPSDGIBKRFK-JOYOIKCWSA-N -1 0 342.373 2.150 20 5 EEBDRM CCC[C@@H](CCO)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595592043 981549783 /nfs/dbraw/zinc/54/97/83/981549783.db2.gz UHWBAMYCRPNGRV-NSHDSACASA-N -1 0 339.348 2.274 20 5 EEBDRM CC[C@H](C)C[C@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594945469 982633499 /nfs/dbraw/zinc/63/34/99/982633499.db2.gz PZTZLRXPGAJQFY-KWQFWETISA-N -1 0 342.323 2.362 20 5 EEBDRM C[C@@H]1CNc2c(Nc3ccc(CC(=O)[O-])cc3[N+](=O)[O-])cnn2C1 ZINC001594588060 986489092 /nfs/dbraw/zinc/48/90/92/986489092.db2.gz VKIANBVUOTWGOT-SECBINFHSA-N -1 0 331.332 2.224 20 5 EEBDRM CCOc1cc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1OCC ZINC001597042866 986497224 /nfs/dbraw/zinc/49/72/24/986497224.db2.gz FZEIQZNGDQOXFS-DTWKUNHWSA-N -1 0 338.316 2.051 20 5 EEBDRM CCc1n[nH]c(C(=O)NC2(CCC(=O)[O-])CCCCC2)c1[N+](=O)[O-] ZINC001597400187 987661634 /nfs/dbraw/zinc/66/16/34/987661634.db2.gz VTQZQMRXPROCFX-UHFFFAOYSA-N -1 0 338.364 2.178 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)[O-] ZINC001589718572 987876457 /nfs/dbraw/zinc/87/64/57/987876457.db2.gz UBUNAWAQGZZLGO-CYBMUJFWSA-N -1 0 346.343 2.010 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001599822564 988539574 /nfs/dbraw/zinc/53/95/74/988539574.db2.gz LNEPBGSOOBYJNJ-ZDUSSCGKSA-N -1 0 347.352 2.267 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001599877272 989435332 /nfs/dbraw/zinc/43/53/32/989435332.db2.gz HLPJZVATBFMYBO-WAZAZEMKSA-N -1 0 332.356 2.410 20 5 EEBDRM CC(C)[C@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001591036883 991367659 /nfs/dbraw/zinc/36/76/59/991367659.db2.gz ZUVOWBFJTHTHJW-HNNXBMFYSA-N -1 0 335.360 2.256 20 5 EEBDRM CN(CC1=CCSC1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001598447401 991887624 /nfs/dbraw/zinc/88/76/24/991887624.db2.gz CWCZIDGFTBQKKS-UHFFFAOYSA-N -1 0 339.329 2.311 20 5 EEBDRM CN(Cc1ncc(Cl)n1C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598538474 992869233 /nfs/dbraw/zinc/86/92/33/992869233.db2.gz SBTDWSQYSIFZEN-UHFFFAOYSA-N -1 0 338.751 2.245 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N(C)[C@H](C)C2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593168895 994017269 /nfs/dbraw/zinc/01/72/69/994017269.db2.gz UQSUMDPBIHATSO-NXEZZACHSA-N -1 0 335.360 2.032 20 5 EEBDRM C[C@@](NC(=O)c1cccc([N+](=O)[O-])c1N)(C(=O)[O-])c1ccc(F)cc1 ZINC001593176269 994054415 /nfs/dbraw/zinc/05/44/15/994054415.db2.gz RJZDVVPESQUKPY-INIZCTEOSA-N -1 0 347.302 2.046 20 5 EEBDRM C[C@](NC(=O)c1ccnc(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593181930 994074768 /nfs/dbraw/zinc/07/47/68/994074768.db2.gz ZOWLMNDKFYBTSC-OAHLLOKOSA-N -1 0 349.730 2.373 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](CC(=O)[O-])C3CC3)c2c1 ZINC001599637684 994312269 /nfs/dbraw/zinc/31/22/69/994312269.db2.gz JKDVJKORCDLLFP-NSHDSACASA-N -1 0 345.355 2.486 20 5 EEBDRM C[C@](O)(CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001593417459 995205735 /nfs/dbraw/zinc/20/57/35/995205735.db2.gz UDFYVSLMRSUSQO-HNNXBMFYSA-N -1 0 335.291 2.147 20 5 EEBDRM COc1cc(CNC(C)(C)c2nocc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599416077 997512440 /nfs/dbraw/zinc/51/24/40/997512440.db2.gz LKXQGRFTORKOQX-UHFFFAOYSA-N -1 0 335.316 2.315 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2cc(C(=O)[O-])oc2C)cc([N+](=O)[O-])c1 ZINC001598946584 998068607 /nfs/dbraw/zinc/06/86/07/998068607.db2.gz OKCFGIPEDBRKCX-UHFFFAOYSA-N -1 0 348.267 2.233 20 5 EEBDRM COc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2F)ccc1[N+](=O)[O-] ZINC001599354009 998146280 /nfs/dbraw/zinc/14/62/80/998146280.db2.gz UOIYKFRRXOVRQY-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM COC[C@](C)(CC(=O)[O-])NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC001599147736 998241965 /nfs/dbraw/zinc/24/19/65/998241965.db2.gz BSQSGOYESCRTDP-AWEZNQCLSA-N -1 0 344.751 2.166 20 5 EEBDRM COC[C@@](C)(O)CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001599156158 998375513 /nfs/dbraw/zinc/37/55/13/998375513.db2.gz AQVOYSUCPWQNAL-ZDUSSCGKSA-N -1 0 332.740 2.146 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(OCc2cccc(C(=O)[O-])n2)c1 ZINC001598988760 998717536 /nfs/dbraw/zinc/71/75/36/998717536.db2.gz TWTATLFLTUZVKY-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CCC1=O ZINC001594201521 998779922 /nfs/dbraw/zinc/77/99/22/998779922.db2.gz PXZOCLBGXHJVLQ-CZIZLABSSA-N -1 0 348.355 2.016 20 5 EEBDRM CO[C@]1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CCSC1 ZINC001599063794 999284750 /nfs/dbraw/zinc/28/47/50/999284750.db2.gz YRAHCDAUKQEGBT-CQSZACIVSA-N -1 0 340.357 2.062 20 5 EEBDRM O=C([O-])CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C1CC1 ZINC001602052537 1118879817 /nfs/dbraw/zinc/87/98/17/1118879817.db2.gz ITAGKTLDAUMEKL-UHFFFAOYSA-N -1 0 349.162 2.108 20 5 EEBDRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000191809652 239310567 /nfs/dbraw/zinc/31/05/67/239310567.db2.gz XBZHRWCYLZLUEI-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000262291819 244908735 /nfs/dbraw/zinc/90/87/35/244908735.db2.gz XSOWYAAXQPJERY-YVEFUNNKSA-N -1 0 348.355 2.077 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000262369230 244943773 /nfs/dbraw/zinc/94/37/73/244943773.db2.gz ALPOHJQNIUWNIK-CYBMUJFWSA-N -1 0 343.339 2.403 20 5 EEBDRM CCc1ccc(C(=O)NCCc2nc(C(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC000263007789 245294508 /nfs/dbraw/zinc/29/45/08/245294508.db2.gz LHPINOARRMQSDB-UHFFFAOYSA-N -1 0 349.368 2.284 20 5 EEBDRM CCC[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000263258292 245372792 /nfs/dbraw/zinc/37/27/92/245372792.db2.gz WCVFRGYLENIBLV-SNVBAGLBSA-N -1 0 328.752 2.408 20 5 EEBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000263292821 245385428 /nfs/dbraw/zinc/38/54/28/245385428.db2.gz RMEOSYSPCDWFJT-UHFFFAOYSA-N -1 0 348.315 2.066 20 5 EEBDRM O=C(NCC(F)F)[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449605297 295630695 /nfs/dbraw/zinc/63/06/95/295630695.db2.gz VXYLKHIIQGLZOZ-ZDUSSCGKSA-N -1 0 343.330 2.036 20 5 EEBDRM CC(C)(C)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000112762863 292228372 /nfs/dbraw/zinc/22/83/72/292228372.db2.gz XTNUHZLRYQSAGC-RMKNXTFCSA-N -1 0 326.374 2.100 20 5 EEBDRM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000172935113 152133089 /nfs/dbraw/zinc/13/30/89/152133089.db2.gz JNRZVNJZMFEXIT-UHFFFAOYSA-N -1 0 340.295 2.119 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000262590974 152294944 /nfs/dbraw/zinc/29/49/44/152294944.db2.gz HRHOZAAUSULWPF-LLVKDONJSA-N -1 0 335.360 2.251 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC(c3cn[nH]c3)CC2)cc([N+](=O)[O-])c1 ZINC000262664939 152303260 /nfs/dbraw/zinc/30/32/60/152303260.db2.gz VMFNQMRSCJHHAG-UHFFFAOYSA-N -1 0 344.327 2.036 20 5 EEBDRM COc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263071292 152368563 /nfs/dbraw/zinc/36/85/63/152368563.db2.gz GSTKZCPQABFSCU-NXEZZACHSA-N -1 0 337.332 2.178 20 5 EEBDRM CC(C)c1nnc(CCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000345670887 161321093 /nfs/dbraw/zinc/32/10/93/161321093.db2.gz YBIXUKRPFYIRAI-UHFFFAOYSA-N -1 0 336.373 2.248 20 5 EEBDRM CC[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236977490 286897960 /nfs/dbraw/zinc/89/79/60/286897960.db2.gz BQENFFXWQVSZBX-CYBMUJFWSA-N -1 0 349.387 2.424 20 5 EEBDRM C[NH+](C)Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000356257384 163383217 /nfs/dbraw/zinc/38/32/17/163383217.db2.gz CTIZGMSHLYLESD-UHFFFAOYSA-N -1 0 335.385 2.457 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000359836241 164181752 /nfs/dbraw/zinc/18/17/52/164181752.db2.gz RWQJGLSAUBMILJ-UHFFFAOYSA-N -1 0 340.288 2.263 20 5 EEBDRM CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000274959651 269079678 /nfs/dbraw/zinc/07/96/78/269079678.db2.gz BGPBCSBDEDOSGJ-ZANVPECISA-N -1 0 344.389 2.023 20 5 EEBDRM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[nH]1 ZINC000277820588 269186865 /nfs/dbraw/zinc/18/68/65/269186865.db2.gz LOXRHFJVDXHBCP-BDAKNGLRSA-N -1 0 333.348 2.423 20 5 EEBDRM CC(C)C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000236776552 278998193 /nfs/dbraw/zinc/99/81/93/278998193.db2.gz UFSRESBHCGVSLE-CQSZACIVSA-N -1 0 333.344 2.234 20 5 EEBDRM CCCc1[nH]nc(C(=O)Nc2n[nH]cc2Br)c1[N+](=O)[O-] ZINC000294073980 293363605 /nfs/dbraw/zinc/36/36/05/293363605.db2.gz YQQSUGARVFFDLA-UHFFFAOYSA-N -1 0 343.141 2.008 20 5 EEBDRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000421806891 314168917 /nfs/dbraw/zinc/16/89/17/314168917.db2.gz MZZLZARKSJAZMN-RQJHMYQMSA-N -1 0 348.258 2.013 20 5 EEBDRM C[C@@H]1Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2NC1=O ZINC000436674219 314986705 /nfs/dbraw/zinc/98/67/05/314986705.db2.gz UMNROJAIQBMROD-QMMMGPOBSA-N -1 0 343.295 2.272 20 5 EEBDRM Cc1ccc2nc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cn2c1 ZINC000436773509 314997723 /nfs/dbraw/zinc/99/77/23/314997723.db2.gz RSMZGRMBEQSUPS-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM COc1ccc(OC)c(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436871975 315007997 /nfs/dbraw/zinc/00/79/97/315007997.db2.gz VNUKKEQAONXPQQ-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM COC(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436952266 315015800 /nfs/dbraw/zinc/01/58/00/315015800.db2.gz IWOFBDWOZJLXFG-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM COC(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436950620 315016040 /nfs/dbraw/zinc/01/60/40/315016040.db2.gz NLMCEQHHIGYXKY-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436961169 315016425 /nfs/dbraw/zinc/01/64/25/315016425.db2.gz GCMWZYAXIOSBSJ-NSHDSACASA-N -1 0 336.344 2.247 20 5 EEBDRM COC[C@@H](Cc1ccccc1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436966412 315017569 /nfs/dbraw/zinc/01/75/69/315017569.db2.gz QEGZDOTZAYRWBS-CQSZACIVSA-N -1 0 330.340 2.288 20 5 EEBDRM CN(CCCC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436967587 315017976 /nfs/dbraw/zinc/01/79/76/315017976.db2.gz QNGUKIBOUCAUIM-UHFFFAOYSA-N -1 0 338.360 2.494 20 5 EEBDRM CC[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000516766644 316591980 /nfs/dbraw/zinc/59/19/80/316591980.db2.gz PRZICHYBVFVWNP-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM O=C([O-])c1cc(N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000516773437 316592589 /nfs/dbraw/zinc/59/25/89/316592589.db2.gz UEVDOOMKUBFLNY-LDYMZIIASA-N -1 0 348.277 2.290 20 5 EEBDRM CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000543712045 318167487 /nfs/dbraw/zinc/16/74/87/318167487.db2.gz YYXBEJZOSQJMDK-UHFFFAOYSA-N -1 0 326.312 2.449 20 5 EEBDRM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000544534329 318189763 /nfs/dbraw/zinc/18/97/63/318189763.db2.gz PWRSBMNLMMQNFV-UHFFFAOYSA-N -1 0 344.323 2.344 20 5 EEBDRM CC[C@H](Sc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000563207981 318984285 /nfs/dbraw/zinc/98/42/85/318984285.db2.gz SJVBEXRGJGXMPF-ZDUSSCGKSA-N -1 0 340.401 2.382 20 5 EEBDRM O=C([O-])[C@H](c1cccnc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000563900164 319054076 /nfs/dbraw/zinc/05/40/76/319054076.db2.gz QQKDZTPCLLXELJ-HNNXBMFYSA-N -1 0 329.312 2.010 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](O)CCc2ccccc2)n1 ZINC000565034781 319141643 /nfs/dbraw/zinc/14/16/43/319141643.db2.gz JVJUPYQRQSSTTI-GFCCVEGCSA-N -1 0 331.328 2.094 20 5 EEBDRM CC[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000566066498 319240168 /nfs/dbraw/zinc/24/01/68/319240168.db2.gz VNZBFVPIZAHUSY-QMMMGPOBSA-N -1 0 330.362 2.020 20 5 EEBDRM CCCN(C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H](COC)C(=O)[O-] ZINC000566952447 319334757 /nfs/dbraw/zinc/33/47/57/319334757.db2.gz IQUNKXWLMBTLKI-ZDUSSCGKSA-N -1 0 339.348 2.247 20 5 EEBDRM CC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CCCC1 ZINC000574154020 320000596 /nfs/dbraw/zinc/00/05/96/320000596.db2.gz MXLVCCCVLHUKIK-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000575408763 320104750 /nfs/dbraw/zinc/10/47/50/320104750.db2.gz ZIXGGNCCXCMYKC-XRNSZHNASA-N -1 0 326.736 2.251 20 5 EEBDRM O=C([O-])Cc1ccc(NCCc2cn3c(n2)CCCC3)c([N+](=O)[O-])c1 ZINC000576707730 320197062 /nfs/dbraw/zinc/19/70/62/320197062.db2.gz ZWCVVNXYGKDTSA-UHFFFAOYSA-N -1 0 344.371 2.409 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000576994653 320222806 /nfs/dbraw/zinc/22/28/06/320222806.db2.gz SRFHHPUZRFCLAM-KRWDZBQOSA-N -1 0 345.355 2.461 20 5 EEBDRM CN(C)c1ccccc1CN(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578363365 320310398 /nfs/dbraw/zinc/31/03/98/320310398.db2.gz KZGIIAIRFGKNAZ-UHFFFAOYSA-N -1 0 330.344 2.390 20 5 EEBDRM Cc1c(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000195077968 323506569 /nfs/dbraw/zinc/50/65/69/323506569.db2.gz ZVAMPQYOEKWFBS-UHFFFAOYSA-N -1 0 340.295 2.499 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)CC1CC1 ZINC000579363590 323836549 /nfs/dbraw/zinc/83/65/49/323836549.db2.gz YRJOTMHBWUUSNS-LBPRGKRZSA-N -1 0 347.371 2.400 20 5 EEBDRM CN(C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-])C1CCCC1 ZINC000580453672 324067944 /nfs/dbraw/zinc/06/79/44/324067944.db2.gz WCGOEXBJNTUMEI-CQSZACIVSA-N -1 0 335.360 2.175 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000582788301 324529270 /nfs/dbraw/zinc/52/92/70/324529270.db2.gz GABIRATYWJHQEA-CYBMUJFWSA-N -1 0 335.360 2.474 20 5 EEBDRM Cc1cc(N2CCC(O)(C(F)(F)F)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000583937733 324763730 /nfs/dbraw/zinc/76/37/30/324763730.db2.gz ZBZJJQNXXBFLCD-UHFFFAOYSA-N -1 0 348.277 2.495 20 5 EEBDRM O=C([O-])CC[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000336877216 465070209 /nfs/dbraw/zinc/07/02/09/465070209.db2.gz OIVPYRWKZVBHBI-GFCCVEGCSA-N -1 0 335.360 2.253 20 5 EEBDRM O=C(NCCOc1cncc(Cl)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000339216937 465146570 /nfs/dbraw/zinc/14/65/70/465146570.db2.gz YEUJNJDAOGDCQU-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000130493073 462759725 /nfs/dbraw/zinc/75/97/25/462759725.db2.gz LEVNNCLPDGQFMK-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013059489 462883443 /nfs/dbraw/zinc/88/34/43/462883443.db2.gz JEVSOEMIHPFFLZ-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM O=C(NCCOc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158198907 463215394 /nfs/dbraw/zinc/21/53/94/463215394.db2.gz KSJVIIGCOSEJCT-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000097097385 463322470 /nfs/dbraw/zinc/32/24/70/463322470.db2.gz VFFDLJYOFZNBOD-UHFFFAOYSA-N -1 0 344.371 2.356 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCCO3)cc1 ZINC000055685767 463342767 /nfs/dbraw/zinc/34/27/67/463342767.db2.gz HDFDPRXYPQXOKK-UHFFFAOYSA-N -1 0 336.325 2.167 20 5 EEBDRM Cn1ccnc1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000150929040 463453439 /nfs/dbraw/zinc/45/34/39/463453439.db2.gz XHSANVIHJUCPPJ-GFCCVEGCSA-N -1 0 344.371 2.129 20 5 EEBDRM COCCN(Cc1ccc(C)o1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000162861410 463545245 /nfs/dbraw/zinc/54/52/45/463545245.db2.gz ZGLHFHWSKJQTQN-UHFFFAOYSA-N -1 0 334.328 2.491 20 5 EEBDRM Cc1ccc2c(c1)[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CO2 ZINC000568708454 468374411 /nfs/dbraw/zinc/37/44/11/468374411.db2.gz FDENGAVPAUINAL-CQSZACIVSA-N -1 0 342.307 2.465 20 5 EEBDRM COc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000261646886 463815072 /nfs/dbraw/zinc/81/50/72/463815072.db2.gz JAXRUJJFLNUMIO-GFCCVEGCSA-N -1 0 336.344 2.463 20 5 EEBDRM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185598817 463848582 /nfs/dbraw/zinc/84/85/82/463848582.db2.gz VHSMVTITXAGWLW-YUELXQCFSA-N -1 0 332.356 2.378 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000262968228 464053186 /nfs/dbraw/zinc/05/31/86/464053186.db2.gz AUGRQRLWQQBZCG-INIZCTEOSA-N -1 0 335.360 2.034 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263208955 464063726 /nfs/dbraw/zinc/06/37/26/464063726.db2.gz ILPIWKHEHBUONB-BZNIZROVSA-N -1 0 335.360 2.470 20 5 EEBDRM CCCC[C@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C(=O)[O-] ZINC000263541671 464126279 /nfs/dbraw/zinc/12/62/79/464126279.db2.gz DEWZPABCKVWPPZ-JTQLQIEISA-N -1 0 325.321 2.140 20 5 EEBDRM Cc1cnc(N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000292310644 464193494 /nfs/dbraw/zinc/19/34/94/464193494.db2.gz OECXXQKXMUVSQP-NXEZZACHSA-N -1 0 346.309 2.334 20 5 EEBDRM CCCCCC[C@@](C)(NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000271932451 464418254 /nfs/dbraw/zinc/41/82/54/464418254.db2.gz KNRLZFMSRBLBAX-OAHLLOKOSA-N -1 0 340.380 2.111 20 5 EEBDRM C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272114306 464482961 /nfs/dbraw/zinc/48/29/61/464482961.db2.gz PDECCYQBMKBMAM-PSASIEDQSA-N -1 0 344.751 2.476 20 5 EEBDRM Cc1cnc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000175602877 464584406 /nfs/dbraw/zinc/58/44/06/464584406.db2.gz SRTDRLHCTDRVME-UHFFFAOYSA-N -1 0 331.737 2.023 20 5 EEBDRM CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000285765555 464687661 /nfs/dbraw/zinc/68/76/61/464687661.db2.gz JCENSZAECCQDKE-NSHDSACASA-N -1 0 341.751 2.293 20 5 EEBDRM Cc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 ZINC000176729978 464836253 /nfs/dbraw/zinc/83/62/53/464836253.db2.gz WQNBYBIIWRKZPK-UHFFFAOYSA-N -1 0 345.764 2.332 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356793887 465544170 /nfs/dbraw/zinc/54/41/70/465544170.db2.gz CONJYBXEBHPCRB-ZDUSSCGKSA-N -1 0 345.359 2.280 20 5 EEBDRM CCNC(=O)c1ccc(C)c(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000362345871 465666054 /nfs/dbraw/zinc/66/60/54/465666054.db2.gz IZFGCONIEIKAQO-UHFFFAOYSA-N -1 0 344.327 2.006 20 5 EEBDRM CCc1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000331999153 466339988 /nfs/dbraw/zinc/33/99/88/466339988.db2.gz VYVPMFHUBOBUMA-GFCCVEGCSA-N -1 0 345.359 2.348 20 5 EEBDRM COc1cccc(COCCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000354254382 466419986 /nfs/dbraw/zinc/41/99/86/466419986.db2.gz PHASHFGDZCEKMS-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM O=C([O-])[C@H]1CCCCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000323717297 466640557 /nfs/dbraw/zinc/64/05/57/466640557.db2.gz NFEIDQMYAFJLMS-GFCCVEGCSA-N -1 0 342.373 2.003 20 5 EEBDRM C[S@](=O)C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000428012531 467193806 /nfs/dbraw/zinc/19/38/06/467193806.db2.gz FDAVSPGJONCNMA-OWJWWREXSA-N -1 0 348.380 2.150 20 5 EEBDRM CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H](C(F)(F)F)O1 ZINC000436706363 467551275 /nfs/dbraw/zinc/55/12/75/467551275.db2.gz CNDUAYWLOUZTPA-LLVKDONJSA-N -1 0 348.277 2.482 20 5 EEBDRM O=C(NCc1cc(F)cc2c1OCOC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000436767060 467553903 /nfs/dbraw/zinc/55/39/03/467553903.db2.gz BIYWFVVDXXKASL-UHFFFAOYSA-N -1 0 348.286 2.236 20 5 EEBDRM Cc1cc(=NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)c[nH]1 ZINC000532620305 468127185 /nfs/dbraw/zinc/12/71/85/468127185.db2.gz IQXPWIJEWMPTRJ-UHFFFAOYSA-N -1 0 335.385 2.446 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(c3nccs3)CC2)n1 ZINC000567982028 468249565 /nfs/dbraw/zinc/24/95/65/468249565.db2.gz ISULIPMNDCAYLN-UHFFFAOYSA-N -1 0 349.372 2.225 20 5 EEBDRM CC(C)[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000594536944 468616464 /nfs/dbraw/zinc/61/64/64/468616464.db2.gz JYMHUKVDDVFHIH-CQSZACIVSA-N -1 0 337.376 2.136 20 5 EEBDRM C[C@]1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])COc2ccccc2O1 ZINC000600678790 468618627 /nfs/dbraw/zinc/61/86/27/468618627.db2.gz VEIIIPKRLZCORM-INIZCTEOSA-N -1 0 345.311 2.330 20 5 EEBDRM Cc1nc(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000594735017 468668209 /nfs/dbraw/zinc/66/82/09/468668209.db2.gz FRZRYOHQACJXDO-BDAKNGLRSA-N -1 0 333.266 2.388 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000600873444 468672991 /nfs/dbraw/zinc/67/29/91/468672991.db2.gz KPRLOUOBUXPFSE-UHFFFAOYSA-N -1 0 338.747 2.399 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC([C@H]2CCOC2)C1 ZINC000592796220 468788381 /nfs/dbraw/zinc/78/83/81/468788381.db2.gz WFLOXCMYSCIYLC-QMMMGPOBSA-N -1 0 326.736 2.062 20 5 EEBDRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)CCC2 ZINC000595246058 468791542 /nfs/dbraw/zinc/79/15/42/468791542.db2.gz UWGJGIIASWCNEG-GFCCVEGCSA-N -1 0 343.339 2.471 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2C[C@]34COC[C@@]3(C2)CCCC4)n1 ZINC000595280706 468799520 /nfs/dbraw/zinc/79/95/20/468799520.db2.gz WTGUZNXMTJNWJM-IYBDPMFKSA-N -1 0 333.344 2.085 20 5 EEBDRM COc1cccc(COCCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000584234524 468826238 /nfs/dbraw/zinc/82/62/38/468826238.db2.gz HCISAXGRUCESJD-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM CC[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000592952534 468827243 /nfs/dbraw/zinc/82/72/43/468827243.db2.gz IUOHBTAMHYMSOT-SSDOTTSWSA-N -1 0 334.250 2.454 20 5 EEBDRM COc1ccc2c(c1)CCN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000592969224 468831158 /nfs/dbraw/zinc/83/11/58/468831158.db2.gz IKFBLHFTEFEGEG-UHFFFAOYSA-N -1 0 343.339 2.302 20 5 EEBDRM CC(C)(CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000584715320 468919663 /nfs/dbraw/zinc/91/96/63/468919663.db2.gz QUXWCVRAXHNXAF-UHFFFAOYSA-N -1 0 335.360 2.163 20 5 EEBDRM C[C@H]1CCCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000573809023 469212200 /nfs/dbraw/zinc/21/22/00/469212200.db2.gz WRYUXHRNJUFFFH-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c([N+](=O)[O-])n1 ZINC000611305101 469225580 /nfs/dbraw/zinc/22/55/80/469225580.db2.gz POMPWYMWXFBWIC-UHFFFAOYSA-N -1 0 336.373 2.489 20 5 EEBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000611526330 469272015 /nfs/dbraw/zinc/27/20/15/469272015.db2.gz PYPKAEABEJBHBA-LBPRGKRZSA-N -1 0 335.360 2.253 20 5 EEBDRM CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187723282 490694035 /nfs/dbraw/zinc/69/40/35/490694035.db2.gz DLFHKAZKGMAUCQ-DEOSSOPVSA-N -1 0 348.380 2.310 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000192955285 534524940 /nfs/dbraw/zinc/52/49/40/534524940.db2.gz PYXVUKFKLSAJJB-GFCCVEGCSA-N -1 0 341.323 2.222 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236581900 535010110 /nfs/dbraw/zinc/01/01/10/535010110.db2.gz BGPLHAZMFLFNDE-UHFFFAOYSA-N -1 0 346.343 2.154 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000263542551 535427533 /nfs/dbraw/zinc/42/75/33/535427533.db2.gz RPRIJIXVTBCBRS-PWSUYJOCSA-N -1 0 336.344 2.176 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)NCCSCCC(=O)[O-])c1 ZINC000738212581 578003927 /nfs/dbraw/zinc/00/39/27/578003927.db2.gz MKMGJFHAUUCSOH-UHFFFAOYSA-N -1 0 344.414 2.254 20 5 EEBDRM Cc1c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n[nH]c1C1CC1 ZINC000738289390 578008154 /nfs/dbraw/zinc/00/81/54/578008154.db2.gz POCMRCQWGTXRHI-UHFFFAOYSA-N -1 0 330.300 2.454 20 5 EEBDRM Cc1cc(COC(=O)c2cc(C)cc([N+](=O)[O-])c2N)oc1C(=O)[O-] ZINC000738351205 578010399 /nfs/dbraw/zinc/01/03/99/578010399.db2.gz HBGBZYKOCDJGAI-UHFFFAOYSA-N -1 0 334.284 2.442 20 5 EEBDRM CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000726858537 576304780 /nfs/dbraw/zinc/30/47/80/576304780.db2.gz GEIPAOMNNUSHCF-UHFFFAOYSA-N -1 0 328.390 2.453 20 5 EEBDRM O=C([O-])NCCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000739963288 576329771 /nfs/dbraw/zinc/32/97/71/576329771.db2.gz JOMWKUFGKLHDCQ-ZDUSSCGKSA-N -1 0 339.373 2.217 20 5 EEBDRM CS[C@H](CO)[C@@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000738180862 576711807 /nfs/dbraw/zinc/71/18/07/576711807.db2.gz FZMHKKNSRAOQAY-AELNNCERSA-N -1 0 326.374 2.217 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC000771972297 577242498 /nfs/dbraw/zinc/24/24/98/577242498.db2.gz DRVCDRCMARIUQQ-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000772352216 577266465 /nfs/dbraw/zinc/26/64/65/577266465.db2.gz XSECIZAOJWAATG-CQSZACIVSA-N -1 0 332.360 2.342 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)cs1 ZINC000775145943 577431109 /nfs/dbraw/zinc/43/11/09/577431109.db2.gz GPVJBJKWEWBQGP-UHFFFAOYSA-N -1 0 326.359 2.125 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cnc(Cl)n2C)cccc1[N+](=O)[O-] ZINC000769620845 577581446 /nfs/dbraw/zinc/58/14/46/577581446.db2.gz HTUFNALWINIIMA-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM O=C([N-]N1CCc2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1F ZINC000770551906 577598623 /nfs/dbraw/zinc/59/86/23/577598623.db2.gz XJFBLLQFJJJXHF-UHFFFAOYSA-N -1 0 329.287 2.077 20 5 EEBDRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770768041 577603356 /nfs/dbraw/zinc/60/33/56/577603356.db2.gz QOZNWWWOOCKFGW-VQHVLOKHSA-N -1 0 330.337 2.285 20 5 EEBDRM O=C(OCc1ccc(OC2CCOCC2)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000752528644 577772200 /nfs/dbraw/zinc/77/22/00/577772200.db2.gz WCCHXUCFZRNBEJ-UHFFFAOYSA-N -1 0 347.327 2.233 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000754925346 577816499 /nfs/dbraw/zinc/81/64/99/577816499.db2.gz QOBVJEBRPUDJPF-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM CS[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000757388258 577859443 /nfs/dbraw/zinc/85/94/43/577859443.db2.gz VNIHKERGYLJDLA-VIFPVBQESA-N -1 0 346.430 2.158 20 5 EEBDRM O=C([O-])C[C@@H]1CCCCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000739638944 578061887 /nfs/dbraw/zinc/06/18/87/578061887.db2.gz GXWRWAONAHDRRO-ZDUSSCGKSA-N -1 0 345.359 2.140 20 5 EEBDRM O=C([O-])c1cc(F)ccc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000740079763 578079987 /nfs/dbraw/zinc/07/99/87/578079987.db2.gz UECQTRVVZKJPPR-UHFFFAOYSA-N -1 0 344.254 2.228 20 5 EEBDRM O=C([O-])c1cc(OS(=O)(=O)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000740086841 578080374 /nfs/dbraw/zinc/08/03/74/578080374.db2.gz AJNMDMNDBPXCPQ-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM CC[C@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000736942774 578230064 /nfs/dbraw/zinc/23/00/64/578230064.db2.gz DBBMSMKUBMAWCF-WPRPVWTQSA-N -1 0 339.304 2.205 20 5 EEBDRM COc1ccc([C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000737960011 578274517 /nfs/dbraw/zinc/27/45/17/578274517.db2.gz IOCIQSNMOFWPLT-INIZCTEOSA-N -1 0 344.323 2.088 20 5 EEBDRM O=C([O-])c1ccc(CNc2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000819683855 597301514 /nfs/dbraw/zinc/30/15/14/597301514.db2.gz XJQROVLFNAXSLM-UHFFFAOYSA-N -1 0 331.328 2.309 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000821509844 597350849 /nfs/dbraw/zinc/35/08/49/597350849.db2.gz YOAPXIAVUVNMLP-SNVBAGLBSA-N -1 0 332.234 2.303 20 5 EEBDRM O=C([O-])[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000821511638 598129855 /nfs/dbraw/zinc/12/98/55/598129855.db2.gz NUNOEUXYBZAIBD-QMMMGPOBSA-N -1 0 329.150 2.264 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000821509120 598208216 /nfs/dbraw/zinc/20/82/16/598208216.db2.gz SYUIDPBKHMZFQX-NSHDSACASA-N -1 0 328.271 2.152 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000830201749 600776454 /nfs/dbraw/zinc/77/64/54/600776454.db2.gz FBQNAPFSUPNFHA-UHFFFAOYSA-N -1 0 346.343 2.495 20 5 EEBDRM CN(CC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000830670132 600870740 /nfs/dbraw/zinc/87/07/40/600870740.db2.gz XEHZTFVIGOLOMJ-CQSZACIVSA-N -1 0 349.368 2.035 20 5 EEBDRM C[C@](O)(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827781601 600959775 /nfs/dbraw/zinc/95/97/75/600959775.db2.gz XGKMIZRIFCTQHA-KRWDZBQOSA-N -1 0 344.323 2.225 20 5 EEBDRM O=C([O-])c1cc(NC(=O)COc2ccc(O)cc2)cc([N+](=O)[O-])c1 ZINC000833115183 600960223 /nfs/dbraw/zinc/96/02/23/600960223.db2.gz BYOKHENQLPYJBY-UHFFFAOYSA-N -1 0 332.268 2.016 20 5 EEBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000826044440 601161880 /nfs/dbraw/zinc/16/18/80/601161880.db2.gz GQTXFOMTHWNJHW-HZMBPMFUSA-N -1 0 331.328 2.125 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000826044446 601161962 /nfs/dbraw/zinc/16/19/62/601161962.db2.gz GQTXFOMTHWNJHW-YGRLFVJLSA-N -1 0 331.328 2.125 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCCOc2cccc([N+](=O)[O-])c2)C1 ZINC000833190412 601181019 /nfs/dbraw/zinc/18/10/19/601181019.db2.gz WZZPBKVVSLQWAT-NEPJUHHUSA-N -1 0 337.328 2.408 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)nc1 ZINC000833312622 601346406 /nfs/dbraw/zinc/34/64/06/601346406.db2.gz WYVOCGKXAIVIMF-UHFFFAOYSA-N -1 0 343.251 2.186 20 5 EEBDRM CCCCC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000829347957 601403754 /nfs/dbraw/zinc/40/37/54/601403754.db2.gz NKWWOTIYEXNWKX-LLVKDONJSA-N -1 0 344.389 2.215 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000833235254 601509959 /nfs/dbraw/zinc/50/99/59/601509959.db2.gz ZBJKODFAJLQYAH-UHFFFAOYSA-N -1 0 343.339 2.036 20 5 EEBDRM Cc1cc(N(C)Cc2nnc3ccccn32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888286 601545562 /nfs/dbraw/zinc/54/55/62/601545562.db2.gz GZQMNZHJYVYPDR-UHFFFAOYSA-N -1 0 341.327 2.281 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000832476203 601820720 /nfs/dbraw/zinc/82/07/20/601820720.db2.gz GLVAJOVUCVZIFS-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM Cn1cc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1C(=O)[O-] ZINC000833053128 602135049 /nfs/dbraw/zinc/13/50/49/602135049.db2.gz QZXXFPDZWZCFFF-UHFFFAOYSA-N -1 0 330.300 2.260 20 5 EEBDRM COC[C@](C)(CC(=O)[O-])NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831558282 602292165 /nfs/dbraw/zinc/29/21/65/602292165.db2.gz FXLIAAIOFKCESP-ZDUSSCGKSA-N -1 0 345.739 2.250 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000827006783 604436951 /nfs/dbraw/zinc/43/69/51/604436951.db2.gz OUYGOFDUTVBXSU-GFCCVEGCSA-N -1 0 344.751 2.198 20 5 EEBDRM CC(=CC(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000833382692 605336660 /nfs/dbraw/zinc/33/66/60/605336660.db2.gz PNPZDDMKWQKUCU-TWGQIWQCSA-N -1 0 343.295 2.436 20 5 EEBDRM C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000177712541 681470216 /nfs/dbraw/zinc/47/02/16/681470216.db2.gz PRWUYZLGZHZPPO-WDEREUQCSA-N -1 0 326.374 2.226 20 5 EEBDRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](Nc3ccc(C)cc3[N+](=O)[O-])C2)c1[O-] ZINC001059603774 687342248 /nfs/dbraw/zinc/34/22/48/687342248.db2.gz DRSJRXMHIRARJC-PHIMTYICSA-N -1 0 345.359 2.013 20 5 EEBDRM CC(C)(C)[S@](=O)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843796686 1188247730 /nfs/dbraw/zinc/24/77/30/1188247730.db2.gz SNNNFJIDNKJZRS-JOCHJYFZSA-N -1 0 348.808 2.231 20 5 EEBDRM O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000078888324 1210432790 /nfs/dbraw/zinc/43/27/90/1210432790.db2.gz YWKPQGDVXVBRSY-CQSZACIVSA-N -1 0 336.731 2.417 20 5 EEBDRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850889220 1277382420 /nfs/dbraw/zinc/38/24/20/1277382420.db2.gz VFQIWOUWWLZKOB-CLFYSBASSA-N -1 0 330.337 2.285 20 5 EEBDRM COC1(CCNS(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCC1 ZINC000867307741 1285566863 /nfs/dbraw/zinc/56/68/63/1285566863.db2.gz YOARCEWLKNTLPD-UHFFFAOYSA-N -1 0 346.380 2.280 20 5 EEBDRM O=[N+]([O-])c1ccccc1N1CC[C@H](OCCCC[P@](=O)([O-])O)C1 ZINC001225019461 1300833373 /nfs/dbraw/zinc/83/33/73/1300833373.db2.gz WOUPWTPQRSNAMH-LBPRGKRZSA-N -1 0 344.304 2.148 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2C[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001226020217 1301236168 /nfs/dbraw/zinc/23/61/68/1301236168.db2.gz HIJXDZIKKVRMJB-KXUCPTDWSA-N -1 0 339.348 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H]2CC[C@H](C(C)C)CC2)c1[N+](=O)[O-] ZINC001226650323 1301493861 /nfs/dbraw/zinc/49/38/61/1301493861.db2.gz VZDUOXKGOYJLSQ-MGCOHNPYSA-N -1 0 339.348 2.471 20 5 EEBDRM CCOC(=O)[C@H]1CC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228609304 1302335494 /nfs/dbraw/zinc/33/54/94/1302335494.db2.gz CHNANCHKADZCNL-VHSXEESVSA-N -1 0 337.332 2.078 20 5 EEBDRM CCOC(=O)C[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001228970593 1302552577 /nfs/dbraw/zinc/55/25/77/1302552577.db2.gz IKWUQQLRWNAVNX-SECBINFHSA-N -1 0 339.222 2.269 20 5 EEBDRM C[C@@H]1[C@@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001228973519 1302553363 /nfs/dbraw/zinc/55/33/63/1302553363.db2.gz KFWQTQDNRQGSBP-PELKAZGASA-N -1 0 340.332 2.393 20 5 EEBDRM CCC[C@@H](CC(=O)OCC)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231071150 1303609724 /nfs/dbraw/zinc/60/97/24/1303609724.db2.gz FGZLFVRCMQXAEM-ZETCQYMHSA-N -1 0 333.728 2.245 20 5 EEBDRM CCOC(=O)[C@H]1CC[C@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231225305 1303690424 /nfs/dbraw/zinc/69/04/24/1303690424.db2.gz WHTHFRCKCSGRMX-IUCAKERBSA-N -1 0 340.288 2.319 20 5 EEBDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cccnc2)cc1[N+](=O)[O-] ZINC000784485097 1304489377 /nfs/dbraw/zinc/48/93/77/1304489377.db2.gz XUWANUXBUZXWFI-UHFFFAOYSA-N -1 0 349.368 2.232 20 5 EEBDRM COC(=O)/C=C/c1ccc(OC)c(OC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000797171430 1304662924 /nfs/dbraw/zinc/66/29/24/1304662924.db2.gz SNSATTPTHXZUQO-XBXARRHUSA-N -1 0 346.295 2.337 20 5 EEBDRM O=C([N-]S(=O)(=O)[C@@H]1CC2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000835559786 1314928185 /nfs/dbraw/zinc/92/81/85/1314928185.db2.gz POWILGQAMSYNHD-QIMFLAQGSA-N -1 0 338.385 2.233 20 5 EEBDRM COC(=O)c1n[nH]cc1[N-]C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001158632580 1319346321 /nfs/dbraw/zinc/34/63/21/1319346321.db2.gz CMMLCUADVRVDEP-UHFFFAOYSA-N -1 0 347.665 2.314 20 5 EEBDRM O=C([O-])c1ccc(Br)c(Cn2cc([N+](=O)[O-])cn2)c1 ZINC001602314074 1350491580 /nfs/dbraw/zinc/49/15/80/1350491580.db2.gz OXOZJFQEACBLMZ-UHFFFAOYSA-N -1 0 326.106 2.300 20 5 EEBDRM O=C([O-])c1cnc(NCCn2cnc3ccccc32)c([N+](=O)[O-])c1 ZINC001602533131 1350540446 /nfs/dbraw/zinc/54/04/46/1350540446.db2.gz WVAWQCYQBPGKSP-UHFFFAOYSA-N -1 0 327.300 2.150 20 5 EEBDRM CC(C)(CCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)[N+](=O)[O-] ZINC001603591691 1350726128 /nfs/dbraw/zinc/72/61/28/1350726128.db2.gz PBXXVJGKAMKAQL-AVGNSLFASA-N -1 0 326.393 2.314 20 5 EEBDRM CC(C)(CCC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1)[N+](=O)[O-] ZINC001603593129 1350726392 /nfs/dbraw/zinc/72/63/92/1350726392.db2.gz KBNYGEPTEZPJCF-UHFFFAOYSA-N -1 0 335.360 2.109 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCc3nc(F)ccc32)cc([N+](=O)[O-])c1 ZINC001608836676 1351774882 /nfs/dbraw/zinc/77/48/82/1351774882.db2.gz NKWAYKOXMHERPD-UHFFFAOYSA-N -1 0 331.259 2.030 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCCCc2cccnc2)cc([N+](=O)[O-])c1 ZINC001608838449 1351775736 /nfs/dbraw/zinc/77/57/36/1351775736.db2.gz HGMXSKWWBWJETJ-UHFFFAOYSA-N -1 0 330.296 2.478 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCC(=O)c2ccccc2F)cc([N+](=O)[O-])c1 ZINC001608838539 1351775741 /nfs/dbraw/zinc/77/57/41/1351775741.db2.gz LBZHPXRMXPSRGE-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@](O)(C(F)F)C2)cc1Cl ZINC001608863257 1351780727 /nfs/dbraw/zinc/78/07/27/1351780727.db2.gz ZETNAQAPVPCADK-GFCCVEGCSA-N -1 0 336.678 2.153 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001320427400 1332881042 /nfs/dbraw/zinc/88/10/42/1332881042.db2.gz WLBITUGXEWPIRY-UHFFFAOYSA-N -1 0 343.295 2.407 20 5 EEBDRM O=[N+]([O-])c1sccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC001322273968 1333240420 /nfs/dbraw/zinc/24/04/20/1333240420.db2.gz REBMYSJNLGGBJS-UHFFFAOYSA-N -1 0 342.354 2.228 20 5 EEBDRM CN(Cc1n[n-]c(=O)o1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001327571398 1334317034 /nfs/dbraw/zinc/31/70/34/1334317034.db2.gz AUXUCHBQKDNQIP-UHFFFAOYSA-N -1 0 343.137 2.078 20 5 EEBDRM CC(C)N1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1=O ZINC001609706014 1352064252 /nfs/dbraw/zinc/06/42/52/1352064252.db2.gz QFAHTPQJYAJCOB-QMMMGPOBSA-N -1 0 341.751 2.368 20 5 EEBDRM COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610169337 1352177750 /nfs/dbraw/zinc/17/77/50/1352177750.db2.gz VSIFPNRSMMOSMG-YGRLFVJLSA-N -1 0 336.344 2.067 20 5 EEBDRM COCCc1nsc(Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001610265103 1352196383 /nfs/dbraw/zinc/19/63/83/1352196383.db2.gz DDGIPKCSZKAMKS-UHFFFAOYSA-N -1 0 325.302 2.126 20 5 EEBDRM COc1ccc(C(=O)[O-])c(OC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001610317269 1352204384 /nfs/dbraw/zinc/20/43/84/1352204384.db2.gz XLFODGSPYMNZEA-CQSZACIVSA-N -1 0 333.296 2.414 20 5 EEBDRM Cc1cc(C2CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC001610458102 1352225940 /nfs/dbraw/zinc/22/59/40/1352225940.db2.gz URBNXQWCSHQHFZ-UHFFFAOYSA-N -1 0 331.332 2.104 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001610607167 1352253201 /nfs/dbraw/zinc/25/32/01/1352253201.db2.gz KXFQZQBLWQMOFF-UHFFFAOYSA-N -1 0 328.284 2.365 20 5 EEBDRM Cn1ccnc1N1CCC(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001610610859 1352253986 /nfs/dbraw/zinc/25/39/86/1352253986.db2.gz QCTPUNQGNVZUAK-UHFFFAOYSA-N -1 0 345.359 2.107 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCCC2(F)F)cc([N+](=O)[O-])c1 ZINC001610809522 1352278549 /nfs/dbraw/zinc/27/85/49/1352278549.db2.gz PCZLSXNLUPEOKU-JTQLQIEISA-N -1 0 328.271 2.458 20 5 EEBDRM O=C([O-])[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC001610876744 1352289413 /nfs/dbraw/zinc/28/94/13/1352289413.db2.gz XCEGVWNDMVPMAM-SNVBAGLBSA-N -1 0 344.117 2.377 20 5 EEBDRM C[C@H]1OC(C)(C)N[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001576901052 1344073657 /nfs/dbraw/zinc/07/36/57/1344073657.db2.gz YJPLVDUXQFJOEI-LDWIPMOCSA-N -1 0 329.740 2.005 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])c2ccccn2)c1C ZINC001600487050 1350063114 /nfs/dbraw/zinc/06/31/14/1350063114.db2.gz OHVHRJHWRIHOGD-AWEZNQCLSA-N -1 0 329.312 2.162 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ncc(C(=O)[O-])s2)c1C ZINC001600487330 1350063163 /nfs/dbraw/zinc/06/31/63/1350063163.db2.gz XSPBONTXPNAXKM-UHFFFAOYSA-N -1 0 335.341 2.296 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001600487507 1350063272 /nfs/dbraw/zinc/06/32/72/1350063272.db2.gz ZCKNEIHKQLMTEN-UHFFFAOYSA-N -1 0 344.327 2.355 20 5 EEBDRM Cc1ccn2cnc(C(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c2c1 ZINC001600596120 1350093449 /nfs/dbraw/zinc/09/34/49/1350093449.db2.gz DRJVILOXEDIKMJ-UHFFFAOYSA-N -1 0 341.279 2.468 20 5 EEBDRM Cc1sc(C(=O)[O-])cc1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC001600868268 1350156415 /nfs/dbraw/zinc/15/64/15/1350156415.db2.gz YHZYCXIFSBWGHQ-UHFFFAOYSA-N -1 0 326.359 2.327 20 5 EEBDRM Cn1cc([C@@H]2CN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC001600943809 1350173990 /nfs/dbraw/zinc/17/39/90/1350173990.db2.gz MNNTUDPDAHTRIQ-NSHDSACASA-N -1 0 345.359 2.052 20 5 EEBDRM O=C([O-])c1cnc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC001601240578 1350239500 /nfs/dbraw/zinc/23/95/00/1350239500.db2.gz OTSBLPLJLVSRKT-ZZXKWVIFSA-N -1 0 333.325 2.079 20 5 EEBDRM O=C([O-])c1ccn(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC001601273458 1350246485 /nfs/dbraw/zinc/24/64/85/1350246485.db2.gz BLCQSJXGBYPJOI-UHFFFAOYSA-N -1 0 336.279 2.048 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001601349192 1350263353 /nfs/dbraw/zinc/26/33/53/1350263353.db2.gz OVSSUVNFKNGUJQ-CQSZACIVSA-N -1 0 347.352 2.024 20 5 EEBDRM O=C([O-])[C@H](CC1CCOCC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001601646383 1350327612 /nfs/dbraw/zinc/32/76/12/1350327612.db2.gz SUAQMZXZWZSUMC-LBPRGKRZSA-N -1 0 339.304 2.185 20 5 EEBDRM O=C([O-])[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@H]1CCOC1 ZINC001601654926 1350329165 /nfs/dbraw/zinc/32/91/65/1350329165.db2.gz GGZYVWIAGMHUMW-NWDGAFQWSA-N -1 0 335.360 2.018 20 5 EEBDRM O=C([O-])C1(C(=O)COc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC001601697874 1350341275 /nfs/dbraw/zinc/34/12/75/1350341275.db2.gz OGZZPIOYDMXGLU-UHFFFAOYSA-N -1 0 344.117 2.170 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC001601827345 1350374284 /nfs/dbraw/zinc/37/42/84/1350374284.db2.gz JBGAPHVYEGZPCL-LBPRGKRZSA-N -1 0 336.347 2.228 20 5 EEBDRM O=C([O-])C[C@]1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCOC1 ZINC001601929899 1350399670 /nfs/dbraw/zinc/39/96/70/1350399670.db2.gz MCJODHBMPZTHRF-CQSZACIVSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001601954866 1350404931 /nfs/dbraw/zinc/40/49/31/1350404931.db2.gz CBMLUQVHBILFHE-JTQLQIEISA-N -1 0 341.751 2.126 20 5 EEBDRM O=C([O-])COCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001602076379 1350431363 /nfs/dbraw/zinc/43/13/63/1350431363.db2.gz XGVCSWJFLBCHPW-UHFFFAOYSA-N -1 0 344.323 2.229 20 5 EEBDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001602112411 1350441785 /nfs/dbraw/zinc/44/17/85/1350441785.db2.gz UXFDZEDJXWKONK-BDAKNGLRSA-N -1 0 325.296 2.499 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2CC[C@@H](c3nnc[nH]3)C2)ccc1[N+](=O)[O-] ZINC001602234271 1350472029 /nfs/dbraw/zinc/47/20/29/1350472029.db2.gz ZHENPCAEMZRYOR-SSDOTTSWSA-N -1 0 337.723 2.058 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC(OC3CCC3)CC2)cc([N+](=O)[O-])c1 ZINC001602243191 1350474708 /nfs/dbraw/zinc/47/47/08/1350474708.db2.gz VCGKQAOZUHKBDT-UHFFFAOYSA-N -1 0 348.355 2.467 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC1CCOCC1 ZINC001602300333 1350488153 /nfs/dbraw/zinc/48/81/53/1350488153.db2.gz WHQIDVQWMRREQU-UHFFFAOYSA-N -1 0 325.277 2.040 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(F)c(Cl)c2)c1 ZINC001602299558 1350488375 /nfs/dbraw/zinc/48/83/75/1350488375.db2.gz ONDSBKNRCPCQET-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001602342038 1350499316 /nfs/dbraw/zinc/49/93/16/1350499316.db2.gz LVQKJBYSDIGFKI-UHFFFAOYSA-N -1 0 334.259 2.068 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC001602600362 1350554346 /nfs/dbraw/zinc/55/43/46/1350554346.db2.gz DEUAJNUJBFKEBX-AWEZNQCLSA-N -1 0 345.263 2.306 20 5 EEBDRM C/C(=C/C(=O)N[C@@]1(CC(=O)[O-])CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001602953562 1350609643 /nfs/dbraw/zinc/60/96/43/1350609643.db2.gz SEECOCYYLHFISR-QJWNTBNXSA-N -1 0 348.355 2.138 20 5 EEBDRM CC(C)(NC(=O)c1cc(C(=O)[O-])ccn1)c1ccccc1[N+](=O)[O-] ZINC001603677436 1350740443 /nfs/dbraw/zinc/74/04/43/1350740443.db2.gz XUTJJUAEFSYYBZ-UHFFFAOYSA-N -1 0 329.312 2.353 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001604449702 1350940247 /nfs/dbraw/zinc/94/02/47/1350940247.db2.gz DVXNJFSZESKTTD-AUTRQRHGSA-N -1 0 342.348 2.099 20 5 EEBDRM C[C@@H]1CC(C)(C)CN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001604654967 1350978469 /nfs/dbraw/zinc/97/84/69/1350978469.db2.gz OVEAGOCMCFFDIT-SECBINFHSA-N -1 0 342.373 2.102 20 5 EEBDRM CCOC(=O)C1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC001605521239 1351178363 /nfs/dbraw/zinc/17/83/63/1351178363.db2.gz ZJFOVRHKCGHSLO-UHFFFAOYSA-N -1 0 336.344 2.367 20 5 EEBDRM CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001605898859 1351250412 /nfs/dbraw/zinc/25/04/12/1351250412.db2.gz MLVHHGQKRVUQLK-ZWNOBZJWSA-N -1 0 345.359 2.030 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[C@H]1C(=O)[O-] ZINC001606570786 1351323760 /nfs/dbraw/zinc/32/37/60/1351323760.db2.gz JNVULULLEAGCOL-HTRCEHHLSA-N -1 0 328.708 2.167 20 5 EEBDRM CO[C@H]1CC[C@H]1N(C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001606737769 1351349428 /nfs/dbraw/zinc/34/94/28/1351349428.db2.gz ZBYVFMRSXSQGHS-YPMHNXCESA-N -1 0 337.332 2.243 20 5 EEBDRM CO[C@@H]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC001606748229 1351350887 /nfs/dbraw/zinc/35/08/87/1351350887.db2.gz GAIUGTHHKAUHIH-OVNLOREASA-N -1 0 348.355 2.089 20 5 EEBDRM CON1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001606994456 1351394086 /nfs/dbraw/zinc/39/40/86/1351394086.db2.gz GRDBVRKIXCRCRG-UHFFFAOYSA-N -1 0 329.740 2.384 20 5 EEBDRM COc1c(NC(=O)Cc2cccc([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC001607029694 1351401031 /nfs/dbraw/zinc/40/10/31/1351401031.db2.gz LZIFETQPBFVYNZ-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)ccc1C(=O)[O-] ZINC001607179505 1351444270 /nfs/dbraw/zinc/44/42/70/1351444270.db2.gz RZPMJNNQSAOXDZ-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM COc1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001607203904 1351448550 /nfs/dbraw/zinc/44/85/50/1351448550.db2.gz LKFCNQQYCBFNSU-SJKOYZFVSA-N -1 0 348.355 2.320 20 5 EEBDRM COc1ccc([C@H](C)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1 ZINC001607220377 1351451982 /nfs/dbraw/zinc/45/19/82/1351451982.db2.gz WEPADQGISWMWHF-SNVBAGLBSA-N -1 0 332.312 2.267 20 5 EEBDRM COc1ccc(CNC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001607254763 1351459755 /nfs/dbraw/zinc/45/97/55/1351459755.db2.gz DIYOEEWZBKPGBQ-HYXAFXHYSA-N -1 0 346.295 2.224 20 5 EEBDRM COc1ccc(NC(=O)NC[C@@H](CC(=O)[O-])C2CC2)c([N+](=O)[O-])c1 ZINC001607275019 1351463264 /nfs/dbraw/zinc/46/32/64/1351463264.db2.gz ZNXDXWJZCNBRMU-SNVBAGLBSA-N -1 0 337.332 2.226 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)c1 ZINC001607291792 1351466337 /nfs/dbraw/zinc/46/63/37/1351466337.db2.gz KNZBZJKTQSLHEF-UHFFFAOYSA-N -1 0 334.328 2.215 20 5 EEBDRM COc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC001607303728 1351469122 /nfs/dbraw/zinc/46/91/22/1351469122.db2.gz PVWZTBHJTMVSEC-GVXVVHGQSA-N -1 0 348.355 2.319 20 5 EEBDRM COc1nscc1CN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001607363044 1351482833 /nfs/dbraw/zinc/48/28/33/1351482833.db2.gz GMVITPOSLBTMFU-UHFFFAOYSA-N -1 0 337.357 2.323 20 5 EEBDRM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1CC(=O)[O-] ZINC001607429876 1351492637 /nfs/dbraw/zinc/49/26/37/1351492637.db2.gz HHLJWFOCFCIUFL-VXGBXAGGSA-N -1 0 334.372 2.442 20 5 EEBDRM Cc1c(C(=O)N2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001607504808 1351507342 /nfs/dbraw/zinc/50/73/42/1351507342.db2.gz SWZFNKGBLBVAJQ-ZAOWEBSESA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC001607516330 1351508991 /nfs/dbraw/zinc/50/89/91/1351508991.db2.gz KERLIFVDRHKTRV-UHFFFAOYSA-N -1 0 332.316 2.262 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])n1C ZINC001607839255 1351568853 /nfs/dbraw/zinc/56/88/53/1351568853.db2.gz BPVSCVZKDWHVDZ-UHFFFAOYSA-N -1 0 331.328 2.178 20 5 EEBDRM Cc1cccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c1C(=O)[O-] ZINC001607863015 1351573673 /nfs/dbraw/zinc/57/36/73/1351573673.db2.gz ICYAXUACQNRQTE-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC001608363074 1351679119 /nfs/dbraw/zinc/67/91/19/1351679119.db2.gz OLNIGPZKCQHGFX-UHFFFAOYSA-N -1 0 338.703 2.398 20 5 EEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C12CCC(CC1)C2 ZINC000784817654 1371444869 /nfs/dbraw/zinc/44/48/69/1371444869.db2.gz JRFUOYDYGBQRPH-UHFFFAOYSA-N -1 0 338.385 2.121 20 5 EEBDRM O=C([O-])CCCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000836718084 1372745181 /nfs/dbraw/zinc/74/51/81/1372745181.db2.gz YDDNXBXQOAZEKH-UHFFFAOYSA-N -1 0 332.715 2.301 20 5 EEBDRM CC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000835154708 760176416 /nfs/dbraw/zinc/17/64/16/760176416.db2.gz HYXCNJKJUQSHBT-WCBMZHEXSA-N -1 0 332.403 2.288 20 5 EEBDRM Cc1cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC000823825845 787943133 /nfs/dbraw/zinc/94/31/33/787943133.db2.gz WUAXHJLRLNBJNS-NSHDSACASA-N -1 0 337.376 2.495 20 5 EEBDRM CCO[C@@H]1COCC[C@@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210145 788927455 /nfs/dbraw/zinc/92/74/55/788927455.db2.gz PLXPWMRGTAFHNV-OZQCQIJRSA-N -1 0 336.344 2.299 20 5 EEBDRM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780684994 789390380 /nfs/dbraw/zinc/39/03/80/789390380.db2.gz RSUNOGMSXLDLSR-JHJVBQTASA-N -1 0 340.426 2.410 20 5 EEBDRM Nc1nc(Cl)n(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2nccc1-2 ZINC001176672263 798523578 /nfs/dbraw/zinc/52/35/78/798523578.db2.gz HJIKIQSPMKBTOF-UHFFFAOYSA-N -1 0 333.691 2.214 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC1 ZINC001602814602 971609330 /nfs/dbraw/zinc/60/93/30/971609330.db2.gz BKECZODFXBFCBO-YFKPBYRVSA-N -1 0 345.714 2.047 20 5 EEBDRM C[C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)[O-] ZINC001589320538 953863088 /nfs/dbraw/zinc/86/30/88/953863088.db2.gz NSDSEPUGZKJRQT-JOYOIKCWSA-N -1 0 342.298 2.398 20 5 EEBDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001589204998 956659480 /nfs/dbraw/zinc/65/94/80/956659480.db2.gz FBKBXWOXNXKVHI-UHFFFAOYSA-N -1 0 334.372 2.391 20 5 EEBDRM O=C([O-])[C@]1(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC=CCC1 ZINC001594698550 956797294 /nfs/dbraw/zinc/79/72/94/956797294.db2.gz ITZAYUNVTNYFPC-INIZCTEOSA-N -1 0 333.296 2.132 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001594307121 957977630 /nfs/dbraw/zinc/97/76/30/957977630.db2.gz FJBWDAMDQNIMET-UHFFFAOYSA-N -1 0 337.675 2.264 20 5 EEBDRM CC(C)C[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)[O-] ZINC001345595655 958053761 /nfs/dbraw/zinc/05/37/61/958053761.db2.gz MOWMEOMHETWSIX-LBPRGKRZSA-N -1 0 335.360 2.367 20 5 EEBDRM CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000094219034 958264623 /nfs/dbraw/zinc/26/46/23/958264623.db2.gz LFPMZPIKEZEDNA-LBPRGKRZSA-N -1 0 345.149 2.340 20 5 EEBDRM COc1ccc(NC(=O)C2(C(=O)[O-])CCSCC2)cc1[N+](=O)[O-] ZINC001594101870 958446962 /nfs/dbraw/zinc/44/69/62/958446962.db2.gz HGZOUWKNSOAVOH-UHFFFAOYSA-N -1 0 340.357 2.140 20 5 EEBDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001588641129 959696353 /nfs/dbraw/zinc/69/63/53/959696353.db2.gz XBTJHYDNLFJQNZ-SNVBAGLBSA-N -1 0 326.261 2.155 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1c(Br)cncc1[N+](=O)[O-] ZINC000235607092 960465660 /nfs/dbraw/zinc/46/56/60/960465660.db2.gz FPSXNINYNUMPMA-BQBZGAKWSA-N -1 0 330.138 2.052 20 5 EEBDRM O=C([O-])C1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCSCC1 ZINC001574626244 962280041 /nfs/dbraw/zinc/28/00/41/962280041.db2.gz LHSZTLGJYUWKRG-UHFFFAOYSA-N -1 0 336.369 2.082 20 5 EEBDRM Cc1c(Br)cc(C(=O)NC[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001605066332 972693266 /nfs/dbraw/zinc/69/32/66/972693266.db2.gz FCYFGYUKKMNQHG-LURJTMIESA-N -1 0 345.149 2.116 20 5 EEBDRM CC(C)n1nnnc1Sc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001592178378 977082744 /nfs/dbraw/zinc/08/27/44/977082744.db2.gz JPKDEVVFFYEZMT-XQRVVYSFSA-N -1 0 335.345 2.411 20 5 EEBDRM C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC000901933847 980638030 /nfs/dbraw/zinc/63/80/30/980638030.db2.gz DOSUDBWSPLMLOC-PELKAZGASA-N -1 0 348.277 2.288 20 5 EEBDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001594792225 981859636 /nfs/dbraw/zinc/85/96/36/981859636.db2.gz MHAAMBUHZPQOGR-INIZCTEOSA-N -1 0 335.360 2.404 20 5 EEBDRM C/C(=C\CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588978391 984842024 /nfs/dbraw/zinc/84/20/24/984842024.db2.gz GSJIMOXWZOCGKO-QPJJXVBHSA-N -1 0 332.234 2.374 20 5 EEBDRM C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@]1(C)C(=O)[O-] ZINC001599916054 985058493 /nfs/dbraw/zinc/05/84/93/985058493.db2.gz GBUBRBFNGRMDGL-SJCJKPOMSA-N -1 0 349.387 2.356 20 5 EEBDRM Cc1[nH]c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)c1C(=O)[O-] ZINC001599951674 985618666 /nfs/dbraw/zinc/61/86/66/985618666.db2.gz XEHQCWTVRGBHLX-UHFFFAOYSA-N -1 0 343.339 2.436 20 5 EEBDRM CCOc1cc(COC(=O)c2cccc(C(=O)[O-])n2)ccc1[N+](=O)[O-] ZINC001597038652 986487474 /nfs/dbraw/zinc/48/74/74/986487474.db2.gz UPXNGVUAHJEWLA-UHFFFAOYSA-N -1 0 346.295 2.444 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001589472772 986969159 /nfs/dbraw/zinc/96/91/59/986969159.db2.gz UGBNZRBFLLEMFI-LLVKDONJSA-N -1 0 348.355 2.412 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001597250245 987234910 /nfs/dbraw/zinc/23/49/10/987234910.db2.gz POBVSJIWCLMPIR-WUGBYWSNSA-N -1 0 341.389 2.180 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001597250550 987235894 /nfs/dbraw/zinc/23/58/94/987235894.db2.gz SCPIQYQKWONJIA-JQLIAFOBSA-N -1 0 341.389 2.180 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001599823143 988549955 /nfs/dbraw/zinc/54/99/55/988549955.db2.gz ZTCKTKFVKJFECK-OLBFVZFUSA-N -1 0 336.369 2.300 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001599883327 989514496 /nfs/dbraw/zinc/51/44/96/989514496.db2.gz CPGGJVOAKFPMBQ-KRWDZBQOSA-N -1 0 343.339 2.410 20 5 EEBDRM CN(C)c1ccc(COC(=O)c2ccc(C(=O)[O-])n2C)cc1[N+](=O)[O-] ZINC001598320448 991316201 /nfs/dbraw/zinc/31/62/01/991316201.db2.gz GCWGQBCTWPVFJK-UHFFFAOYSA-N -1 0 347.327 2.055 20 5 EEBDRM COc1ncc(CNc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c(C)n1 ZINC001599734548 991755161 /nfs/dbraw/zinc/75/51/61/991755161.db2.gz VQXZYCDZOAUOJX-UHFFFAOYSA-N -1 0 332.316 2.321 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ncc(C(=O)[O-])s1 ZINC001593171757 994034632 /nfs/dbraw/zinc/03/46/32/994034632.db2.gz FMHYAIYTUMPFLB-YFKPBYRVSA-N -1 0 327.343 2.302 20 5 EEBDRM C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ncc(C(=O)[O-])s1 ZINC001593312748 994806181 /nfs/dbraw/zinc/80/61/81/994806181.db2.gz ZYIGKEOOANPWPZ-SSDOTTSWSA-N -1 0 347.356 2.477 20 5 EEBDRM CC1(C)C[C@@]1(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001593865431 996671272 /nfs/dbraw/zinc/67/12/72/996671272.db2.gz QNTMTYIOWHDZCC-AWEZNQCLSA-N -1 0 342.373 2.008 20 5 EEBDRM CC1(C)CCC[C@](NC(=O)c2ccc([N+](=O)[O-])cc2N)(C(=O)[O-])C1 ZINC001593892807 996743385 /nfs/dbraw/zinc/74/33/85/996743385.db2.gz SKUZCMNNEJBJAA-MRXNPFEDSA-N -1 0 335.360 2.330 20 5 EEBDRM CO[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@](C)(C(=O)[O-])C1 ZINC001599129203 997909387 /nfs/dbraw/zinc/90/93/87/997909387.db2.gz FCCQKEUJLMRKIW-BZNIZROVSA-N -1 0 348.311 2.045 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001598955784 998238036 /nfs/dbraw/zinc/23/80/36/998238036.db2.gz QYCDHYOZZDGJLV-LBPRGKRZSA-N -1 0 348.355 2.381 20 5 EEBDRM C[C@@H]1C[C@@]2(CC[C@H](CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])O2)CO1 ZINC001594286905 999110055 /nfs/dbraw/zinc/11/00/55/999110055.db2.gz VSWXOGQGKWTGPM-SIVJFFJCSA-N -1 0 336.344 2.432 20 5 EEBDRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000055547290 214328325 /nfs/dbraw/zinc/32/83/25/214328325.db2.gz ACMKJSAQPNHYIX-UHFFFAOYSA-N -1 0 349.368 2.097 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000068300377 215297319 /nfs/dbraw/zinc/29/73/19/215297319.db2.gz NPNWVFHLVSJURQ-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM CC[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262743931 245155628 /nfs/dbraw/zinc/15/56/28/245155628.db2.gz HGMRATYWMXQQMA-QMMMGPOBSA-N -1 0 332.765 2.320 20 5 EEBDRM C[C@@]1(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCC[C@H]1C(=O)[O-] ZINC000262918866 245250980 /nfs/dbraw/zinc/25/09/80/245250980.db2.gz IMRYUQNSSPFFSI-MEDUHNTESA-N -1 0 346.343 2.234 20 5 EEBDRM CCOC(=O)N[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000494677646 247002723 /nfs/dbraw/zinc/00/27/23/247002723.db2.gz WXFHVTMETZGLMB-LBPRGKRZSA-N -1 0 325.321 2.010 20 5 EEBDRM C[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000493846619 296362878 /nfs/dbraw/zinc/36/28/78/296362878.db2.gz OLTFRYKOJSPETP-XABIRHLXSA-N -1 0 336.319 2.459 20 5 EEBDRM Cc1nn(C)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000267323305 256048816 /nfs/dbraw/zinc/04/88/16/256048816.db2.gz PYWHXAAWXNWLIA-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000356586466 141021948 /nfs/dbraw/zinc/02/19/48/141021948.db2.gz CYTQTIPKCLFPMO-YPMHNXCESA-N -1 0 349.387 2.114 20 5 EEBDRM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119138128 292241971 /nfs/dbraw/zinc/24/19/71/292241971.db2.gz ASGDNGFURFCNMH-DEOSSOPVSA-N -1 0 348.380 2.310 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262891956 152335119 /nfs/dbraw/zinc/33/51/19/152335119.db2.gz CKIRKCCEHPHBFB-BXKDBHETSA-N -1 0 333.344 2.104 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000263161282 152391395 /nfs/dbraw/zinc/39/13/95/152391395.db2.gz JRUFQXGLEGOTLV-LDYMZIIASA-N -1 0 326.736 2.112 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccs1 ZINC000356005826 153240321 /nfs/dbraw/zinc/24/03/21/153240321.db2.gz UNFBAYYIIVXNEH-GFCCVEGCSA-N -1 0 336.325 2.006 20 5 EEBDRM CN(C)C(=O)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000130414149 292373116 /nfs/dbraw/zinc/37/31/16/292373116.db2.gz GVDXWTACADBNRE-UHFFFAOYSA-N -1 0 343.339 2.183 20 5 EEBDRM CCC[C@@H](NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1)c1nnn[n-]1 ZINC000184843378 160018742 /nfs/dbraw/zinc/01/87/42/160018742.db2.gz DLUHAPPJCSJVCM-TZMCWYRMSA-N -1 0 346.391 2.334 20 5 EEBDRM NC(=O)Nc1cc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])ccc1F ZINC000350157559 161703277 /nfs/dbraw/zinc/70/32/77/161703277.db2.gz NMCKHADHNYLDQZ-UHFFFAOYSA-N -1 0 334.263 2.182 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nc(C)cc(C)n2)c1 ZINC000351710942 161888971 /nfs/dbraw/zinc/88/89/71/161888971.db2.gz WSUAVKIXRXZNRK-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnn(CCF)c1 ZINC000355578166 163236891 /nfs/dbraw/zinc/23/68/91/163236891.db2.gz AVPBVPXFWFDTLF-UHFFFAOYSA-N -1 0 328.687 2.372 20 5 EEBDRM CC(C)(C)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000362218540 164606415 /nfs/dbraw/zinc/60/64/15/164606415.db2.gz OSMVBCASXLFOHP-LBPRGKRZSA-N -1 0 344.389 2.153 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000364679377 165231403 /nfs/dbraw/zinc/23/14/03/165231403.db2.gz SJFUKJWFVUNGEP-UHFFFAOYSA-N -1 0 343.339 2.470 20 5 EEBDRM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[N-]OCC(C)C)ccc1[N+](=O)[O-] ZINC000122998262 222196306 /nfs/dbraw/zinc/19/63/06/222196306.db2.gz YGMDVIXKKSCMFV-HNNXBMFYSA-N -1 0 349.387 2.212 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000284990531 274660903 /nfs/dbraw/zinc/66/09/03/274660903.db2.gz GEIJSQWSMXAGLB-UHFFFAOYSA-N -1 0 336.373 2.237 20 5 EEBDRM Cc1noc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000286234198 274851130 /nfs/dbraw/zinc/85/11/30/274851130.db2.gz BKAUDAFVKHDSFD-LBPRGKRZSA-N -1 0 332.316 2.359 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c(F)c1 ZINC000288338376 275048204 /nfs/dbraw/zinc/04/82/04/275048204.db2.gz HWDDYJUGVTUVNQ-JTQLQIEISA-N -1 0 342.270 2.353 20 5 EEBDRM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000288740312 275083240 /nfs/dbraw/zinc/08/32/40/275083240.db2.gz XGJXZMPUKLUNES-SNVBAGLBSA-N -1 0 347.293 2.057 20 5 EEBDRM O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000291070085 275266992 /nfs/dbraw/zinc/26/69/92/275266992.db2.gz YPRJAPUVXQHTSZ-SJLPKXTDSA-N -1 0 342.351 2.196 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C)n1 ZINC000160672280 311357331 /nfs/dbraw/zinc/35/73/31/311357331.db2.gz UWRACNRATSIYTI-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422557715 314281797 /nfs/dbraw/zinc/28/17/97/314281797.db2.gz LEAQGDJDCSZNKJ-ONGXEEELSA-N -1 0 336.344 2.237 20 5 EEBDRM CNC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436743249 314994483 /nfs/dbraw/zinc/99/44/83/314994483.db2.gz ZFCHJAZMJLEHKR-UHFFFAOYSA-N -1 0 330.300 2.304 20 5 EEBDRM O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436967622 315018201 /nfs/dbraw/zinc/01/82/01/315018201.db2.gz QRHDUESUTIFBHA-LBPRGKRZSA-N -1 0 348.330 2.021 20 5 EEBDRM O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436975555 315018955 /nfs/dbraw/zinc/01/89/55/315018955.db2.gz KTYXJLKCYKRSRC-UHFFFAOYSA-N -1 0 342.307 2.448 20 5 EEBDRM Cc1cccc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000539682968 318058666 /nfs/dbraw/zinc/05/86/66/318058666.db2.gz ANVAVVRNNKBPLG-UHFFFAOYSA-N -1 0 344.323 2.410 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000540671563 318076923 /nfs/dbraw/zinc/07/69/23/318076923.db2.gz VICKHMSFEKTFFA-UHFFFAOYSA-N -1 0 342.311 2.225 20 5 EEBDRM Cc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])nc2ccccc12 ZINC000541861644 318113080 /nfs/dbraw/zinc/11/30/80/318113080.db2.gz UIDVTVWMYAZCRF-UHFFFAOYSA-N -1 0 338.323 2.482 20 5 EEBDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000547936589 318335202 /nfs/dbraw/zinc/33/52/02/318335202.db2.gz NYMSOIQZYPHKLC-ZWNOBZJWSA-N -1 0 344.389 2.153 20 5 EEBDRM COCC1(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCCC1 ZINC000563733138 319040876 /nfs/dbraw/zinc/04/08/76/319040876.db2.gz RWWZSFXYGBGQHU-UHFFFAOYSA-N -1 0 328.390 2.141 20 5 EEBDRM CC(C)CC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000571767096 319785655 /nfs/dbraw/zinc/78/56/55/319785655.db2.gz UKLJREMVEWRIQE-JTQLQIEISA-N -1 0 344.389 2.396 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000573178185 319910305 /nfs/dbraw/zinc/91/03/05/319910305.db2.gz BSSOHLLXVDFALP-AWEZNQCLSA-N -1 0 336.344 2.152 20 5 EEBDRM C[C@H]1OCC[C@@]12CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C[C@@H](C)O2 ZINC000574280329 320012444 /nfs/dbraw/zinc/01/24/44/320012444.db2.gz FGAQRDCSEYUNLC-GLKRBJQHSA-N -1 0 336.344 2.066 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCCCCC1 ZINC000574515851 320032168 /nfs/dbraw/zinc/03/21/68/320032168.db2.gz XUCGOGCUIGDQCY-UHFFFAOYSA-N -1 0 342.373 2.294 20 5 EEBDRM CCCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H](CC)C(=O)[O-] ZINC000576096163 320140342 /nfs/dbraw/zinc/14/03/42/320140342.db2.gz GQFOXZJPCRLUGI-CQSZACIVSA-N -1 0 337.376 2.422 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2C[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000577175292 320238445 /nfs/dbraw/zinc/23/84/45/320238445.db2.gz OARCUJNZYSJJHM-RKDXNWHRSA-N -1 0 342.373 2.020 20 5 EEBDRM C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000577283474 320247049 /nfs/dbraw/zinc/24/70/49/320247049.db2.gz YWCLPEAMAUHQLR-GWCFXTLKSA-N -1 0 331.328 2.092 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@H](c3ccncc3)C2)n1 ZINC000579249758 323811377 /nfs/dbraw/zinc/81/13/77/323811377.db2.gz YBNTZGSBIHJGES-RISCZKNCSA-N -1 0 344.327 2.415 20 5 EEBDRM C[C@@H](O)C[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000583145956 324603236 /nfs/dbraw/zinc/60/32/36/324603236.db2.gz DVAQVUBXCCADAH-PSASIEDQSA-N -1 0 328.752 2.329 20 5 EEBDRM CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)C1(C(=O)[O-])CCCC1 ZINC000583790448 324731968 /nfs/dbraw/zinc/73/19/68/324731968.db2.gz KBIAQZHZSQWTKT-UHFFFAOYSA-N -1 0 335.360 2.176 20 5 EEBDRM COc1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc([N+](=O)[O-])c1C ZINC000590701849 468312461 /nfs/dbraw/zinc/31/24/61/468312461.db2.gz KMYMRCDEBMPQCX-GFCCVEGCSA-N -1 0 336.344 2.381 20 5 EEBDRM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000117982352 462820405 /nfs/dbraw/zinc/82/04/05/462820405.db2.gz SOZSMQQOIDHQJY-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000013348693 462890413 /nfs/dbraw/zinc/89/04/13/462890413.db2.gz HXPOUVUAMNHGKS-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM C[C@H](N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000093882660 463050929 /nfs/dbraw/zinc/05/09/29/463050929.db2.gz XSTQYONGQRDGBW-JTQLQIEISA-N -1 0 333.310 2.369 20 5 EEBDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000096007290 463139265 /nfs/dbraw/zinc/13/92/65/463139265.db2.gz LBQLKBCOEPPTJZ-UHFFFAOYSA-N -1 0 338.389 2.254 20 5 EEBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)Cc3ccccc3)c2c1 ZINC000135595239 463180795 /nfs/dbraw/zinc/18/07/95/463180795.db2.gz JDOBKEGOLXMQBB-UHFFFAOYSA-N -1 0 332.341 2.413 20 5 EEBDRM COC(=O)c1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000030206561 463288846 /nfs/dbraw/zinc/28/88/46/463288846.db2.gz MXCLWGXBNANXTQ-UHFFFAOYSA-N -1 0 344.323 2.359 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000071914676 463471929 /nfs/dbraw/zinc/47/19/29/463471929.db2.gz JQRNFTVTAQTNAW-SECBINFHSA-N -1 0 334.781 2.477 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](O)Cc1ccccc1 ZINC000185378173 463812333 /nfs/dbraw/zinc/81/23/33/463812333.db2.gz VBDUPFNYORJLMK-ABAIWWIYSA-N -1 0 330.340 2.022 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000178142967 463851901 /nfs/dbraw/zinc/85/19/01/463851901.db2.gz MPAYQFWPZIYYOZ-UHFFFAOYSA-N -1 0 343.339 2.068 20 5 EEBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000261786811 463859860 /nfs/dbraw/zinc/85/98/60/463859860.db2.gz SQSPKFFWVHQJCU-LBPRGKRZSA-N -1 0 332.234 2.074 20 5 EEBDRM CCCC[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000262265931 463985644 /nfs/dbraw/zinc/98/56/44/463985644.db2.gz HIEZGFAZVCCNBC-CYBMUJFWSA-N -1 0 333.344 2.309 20 5 EEBDRM Cc1c(CC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000263418437 464101559 /nfs/dbraw/zinc/10/15/59/464101559.db2.gz KOTIBZGVKPTPDC-SUMWQHHRSA-N -1 0 332.356 2.159 20 5 EEBDRM Cc1csc([C@@H]2COCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000189029178 464418518 /nfs/dbraw/zinc/41/85/18/464418518.db2.gz DBLNQPAFTDSWEO-LBPRGKRZSA-N -1 0 349.368 2.279 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000238087896 464430019 /nfs/dbraw/zinc/43/00/19/464430019.db2.gz ZGLNUINSYJPAFN-GFCCVEGCSA-N -1 0 347.352 2.408 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000285106085 464455388 /nfs/dbraw/zinc/45/53/88/464455388.db2.gz OHGPFJKZTBJWCW-UHFFFAOYSA-N -1 0 336.373 2.237 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC(C)C ZINC000272570335 464662901 /nfs/dbraw/zinc/66/29/01/464662901.db2.gz RUJHFSTVVZZBFV-AWEZNQCLSA-N -1 0 338.360 2.397 20 5 EEBDRM CCOC(=O)[C@H](CC)N(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000276226504 464853151 /nfs/dbraw/zinc/85/31/51/464853151.db2.gz NGKPILLZSWVZLZ-ZDUSSCGKSA-N -1 0 336.344 2.247 20 5 EEBDRM C[C@]1(CCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC(=O)N1 ZINC000351772621 465351321 /nfs/dbraw/zinc/35/13/21/465351321.db2.gz XVCCMUQWPNUZMJ-AWEZNQCLSA-N -1 0 341.751 2.341 20 5 EEBDRM O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356775136 465532571 /nfs/dbraw/zinc/53/25/71/465532571.db2.gz OGPBXICZXTUVSR-UHFFFAOYSA-N -1 0 342.307 2.448 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cncnc1 ZINC000362218717 465581797 /nfs/dbraw/zinc/58/17/97/465581797.db2.gz UCSYRCDVFWYJDL-UHFFFAOYSA-N -1 0 349.155 2.492 20 5 EEBDRM CCc1cc(N[C@H](CC)C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591326677 468447815 /nfs/dbraw/zinc/44/78/15/468447815.db2.gz BQYPZLHHFPNCRK-CYBMUJFWSA-N -1 0 330.344 2.311 20 5 EEBDRM CC(C)C[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC(=O)N1 ZINC000361664047 466187485 /nfs/dbraw/zinc/18/74/85/466187485.db2.gz ZGQPPNWPXJJYKB-PWSUYJOCSA-N -1 0 335.360 2.180 20 5 EEBDRM CC(C)O[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000361810052 466307115 /nfs/dbraw/zinc/30/71/15/466307115.db2.gz USJUBPWGEDAGEC-KGLIPLIRSA-N -1 0 342.417 2.465 20 5 EEBDRM O=C([O-])COc1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000347335031 466575651 /nfs/dbraw/zinc/57/56/51/466575651.db2.gz AHEWIOYFPSQWLW-UHFFFAOYSA-N -1 0 345.311 2.109 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000347363886 466591507 /nfs/dbraw/zinc/59/15/07/466591507.db2.gz XHYQNDAJOGUULM-UHFFFAOYSA-N -1 0 331.712 2.005 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2O)cc1[N+](=O)[O-] ZINC000320929530 466616319 /nfs/dbraw/zinc/61/63/19/466616319.db2.gz INVPGJLDFVONKX-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM CCC(CC)(CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)[O-] ZINC000424372943 467034872 /nfs/dbraw/zinc/03/48/72/467034872.db2.gz IWVAMXGHGONIJL-UHFFFAOYSA-N -1 0 334.332 2.948 20 5 EEBDRM Cn1cnnc1-c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000427895799 467184986 /nfs/dbraw/zinc/18/49/86/467184986.db2.gz MDFUKPZCFZYYHT-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000390973388 467417680 /nfs/dbraw/zinc/41/76/80/467417680.db2.gz PSMGFNSBAFBXAP-QWRGUYRKSA-N -1 0 344.389 2.153 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000431781410 467537040 /nfs/dbraw/zinc/53/70/40/467537040.db2.gz LBVNQNWIITUOKH-UHFFFAOYSA-N -1 0 341.323 2.195 20 5 EEBDRM CCC1(c2ccccc2)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000458223133 467792250 /nfs/dbraw/zinc/79/22/50/467792250.db2.gz XGFCEHWODFTGQU-UHFFFAOYSA-N -1 0 327.340 2.499 20 5 EEBDRM C[C@H](CN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000458389840 467821443 /nfs/dbraw/zinc/82/14/43/467821443.db2.gz MGQXGOXUKGSHAC-SNVBAGLBSA-N -1 0 338.360 2.350 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493145509 467849499 /nfs/dbraw/zinc/84/94/99/467849499.db2.gz DKRVGOCURZOEBO-LEXSJLIMSA-N -1 0 336.319 2.460 20 5 EEBDRM CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(C(=O)[O-])CCCC1 ZINC000515356902 467987583 /nfs/dbraw/zinc/98/75/83/467987583.db2.gz MBWWGVWSSYFJHJ-UHFFFAOYSA-N -1 0 346.343 2.474 20 5 EEBDRM C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000515383725 467989830 /nfs/dbraw/zinc/98/98/30/467989830.db2.gz UQPIBSQUYIKNLD-BXUZGUMPSA-N -1 0 334.372 2.442 20 5 EEBDRM CC[C@@H](C(=O)[O-])[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000519627808 468184571 /nfs/dbraw/zinc/18/45/71/468184571.db2.gz GCKQNMBQARDAJS-MYODQAERSA-N -1 0 338.341 2.362 20 5 EEBDRM COCCCOCCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567950760 468243791 /nfs/dbraw/zinc/24/37/91/468243791.db2.gz YSDXMJIHRSBNDG-UHFFFAOYSA-N -1 0 346.767 2.079 20 5 EEBDRM Cn1cc([C@@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2(C)C)cn1 ZINC000556905931 468598624 /nfs/dbraw/zinc/59/86/24/468598624.db2.gz RKJBTSKDQYEJIN-AWEZNQCLSA-N -1 0 330.344 2.257 20 5 EEBDRM C[C@@H](Cc1ccco1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600881697 468674733 /nfs/dbraw/zinc/67/47/33/468674733.db2.gz OUGKGYNNRDZIKR-GTNSWQLSSA-N -1 0 346.339 2.483 20 5 EEBDRM O=C(Nc1ccc(Br)cc1[O-])c1c[nH]nc1[N+](=O)[O-] ZINC000571421354 468787905 /nfs/dbraw/zinc/78/79/05/468787905.db2.gz WPHJUTUTFNDNMK-UHFFFAOYSA-N -1 0 327.094 2.038 20 5 EEBDRM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595280673 468799402 /nfs/dbraw/zinc/79/94/02/468799402.db2.gz UXTHRKOFRTXNGX-HTQZYQBOSA-N -1 0 349.265 2.234 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000592982678 468833883 /nfs/dbraw/zinc/83/38/83/468833883.db2.gz NZJDSVOVNBTNGU-QGZVFWFLSA-N -1 0 345.355 2.461 20 5 EEBDRM CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598481770 468882243 /nfs/dbraw/zinc/88/22/43/468882243.db2.gz IEMANBFCGUGJTQ-CZUORRHYSA-N -1 0 336.344 2.152 20 5 EEBDRM CC(C)[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCOCC1 ZINC000573210664 469083753 /nfs/dbraw/zinc/08/37/53/469083753.db2.gz QWFMXCDQRBWEAZ-OAHLLOKOSA-N -1 0 337.376 2.062 20 5 EEBDRM CN(CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000593698071 469100044 /nfs/dbraw/zinc/10/00/44/469100044.db2.gz ZTIVVKLRBZZETA-LLVKDONJSA-N -1 0 337.376 2.037 20 5 EEBDRM CCc1nn(C)c(N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595977199 469104813 /nfs/dbraw/zinc/10/48/13/469104813.db2.gz FMHREQJOIZJCKB-OLZOCXBDSA-N -1 0 344.371 2.195 20 5 EEBDRM CC(C)C[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000562982974 469122247 /nfs/dbraw/zinc/12/22/47/469122247.db2.gz YCVYQFNPCQKFGV-CYBMUJFWSA-N -1 0 349.387 2.409 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2cccnc2)C2CC2)ccc1[O-] ZINC000604480271 469482461 /nfs/dbraw/zinc/48/24/61/469482461.db2.gz IOGXSFKBVYNNNZ-UHFFFAOYSA-N -1 0 349.368 2.049 20 5 EEBDRM Cc1nc([C@@H]2CCCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)no1 ZINC000613970259 469824948 /nfs/dbraw/zinc/82/49/48/469824948.db2.gz MRFRUHKCDLLLDC-ZDUSSCGKSA-N -1 0 332.316 2.359 20 5 EEBDRM CC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000194747166 527058624 /nfs/dbraw/zinc/05/86/24/527058624.db2.gz WWJURIMPFWXDGL-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM CN1C(=O)Cc2cc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC000447660893 536319545 /nfs/dbraw/zinc/31/95/45/536319545.db2.gz NPGWHYJNHWCBPH-UHFFFAOYSA-N -1 0 327.296 2.072 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000776510970 577461170 /nfs/dbraw/zinc/46/11/70/577461170.db2.gz FOIBCODUJRBCCQ-DTWKUNHWSA-N -1 0 346.792 2.489 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000769849837 577585828 /nfs/dbraw/zinc/58/58/28/577585828.db2.gz IMVHTIOBMFLEQW-UHFFFAOYSA-N -1 0 338.301 2.007 20 5 EEBDRM COc1nc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])cc(=O)[n-]1 ZINC000770510933 577597804 /nfs/dbraw/zinc/59/78/04/577597804.db2.gz FEIQJDLPDKUBKE-UHFFFAOYSA-N -1 0 339.691 2.109 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000770863715 577604994 /nfs/dbraw/zinc/60/49/94/577604994.db2.gz UTFMUXXVWZEHEV-UHFFFAOYSA-N -1 0 347.239 2.190 20 5 EEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000749023457 577970162 /nfs/dbraw/zinc/97/01/62/577970162.db2.gz OSRRCJUESXUQCC-SSDOTTSWSA-N -1 0 346.792 2.408 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@H](O)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000738694742 578024028 /nfs/dbraw/zinc/02/40/28/578024028.db2.gz VERJSCYTRANPFS-SNVBAGLBSA-N -1 0 339.254 2.112 20 5 EEBDRM O=C([O-])[C@H]1C[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000739556341 578058196 /nfs/dbraw/zinc/05/81/96/578058196.db2.gz HEBRDFYIAUKSIZ-DTWKUNHWSA-N -1 0 344.117 2.121 20 5 EEBDRM CC(C)C[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000736428956 578203362 /nfs/dbraw/zinc/20/33/62/578203362.db2.gz ZCCQHLQJQRDHJU-CQSZACIVSA-N -1 0 347.327 2.437 20 5 EEBDRM C[C@@H](Oc1cccnc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736706683 578219386 /nfs/dbraw/zinc/21/93/86/578219386.db2.gz CLMDSKLLLUCXOC-SECBINFHSA-N -1 0 331.284 2.094 20 5 EEBDRM CCOc1ccc(C[C@@H](CNc2c([N+](=O)[O-])ncn2C)C(=O)[O-])cc1 ZINC000737206082 578243611 /nfs/dbraw/zinc/24/36/11/578243611.db2.gz XVIBOOLKNOMPRV-LBPRGKRZSA-N -1 0 348.359 2.082 20 5 EEBDRM CN(C)c1ncc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])n1C ZINC000737384339 578253923 /nfs/dbraw/zinc/25/39/23/578253923.db2.gz VGVSLQHMDFQCMD-FNORWQNLSA-N -1 0 345.359 2.104 20 5 EEBDRM CNC(=O)c1ccc(Nc2ccc(CNC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000737546919 578263626 /nfs/dbraw/zinc/26/36/26/578263626.db2.gz NLGVWNRKRPBBJK-UHFFFAOYSA-N -1 0 344.327 2.466 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000737963490 578274682 /nfs/dbraw/zinc/27/46/82/578274682.db2.gz XTJQKQMSLXTILU-CQSZACIVSA-N -1 0 348.286 2.298 20 5 EEBDRM CSc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc1[N+](=O)[O-] ZINC000832774453 600905786 /nfs/dbraw/zinc/90/57/86/600905786.db2.gz LPJMTRBLAXWOAL-CYBMUJFWSA-N -1 0 347.352 2.267 20 5 EEBDRM CC(C)C[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000826820188 600950221 /nfs/dbraw/zinc/95/02/21/600950221.db2.gz OKOMTRBTGRYJKD-AWEZNQCLSA-N -1 0 347.327 2.437 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000833113116 601192259 /nfs/dbraw/zinc/19/22/59/601192259.db2.gz NRSYELDVPYYQLT-NEPJUHHUSA-N -1 0 335.312 2.212 20 5 EEBDRM O=C([O-])C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000091294336 601381100 /nfs/dbraw/zinc/38/11/00/601381100.db2.gz ULLLXEFYXOSXKW-SECBINFHSA-N -1 0 345.149 2.037 20 5 EEBDRM Cc1cc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)cc([N+](=O)[O-])c1 ZINC000832860343 601516861 /nfs/dbraw/zinc/51/68/61/601516861.db2.gz OOIHHTOCYLRFJZ-UHFFFAOYSA-N -1 0 343.339 2.415 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC(=O)[O-])C1CC1 ZINC000827889336 601637157 /nfs/dbraw/zinc/63/71/57/601637157.db2.gz BNYSDNRDWZZVDK-QMMMGPOBSA-N -1 0 342.735 2.091 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000833117755 601746757 /nfs/dbraw/zinc/74/67/57/601746757.db2.gz WWOTVANTWUIQIK-HNNXBMFYSA-N -1 0 332.287 2.219 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CCC3(CCC3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703426 602150616 /nfs/dbraw/zinc/15/06/16/602150616.db2.gz NMCCSLQFQHVWBY-NSHDSACASA-N -1 0 347.371 2.178 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(CCCOCCc2ccccc2)c1=O ZINC000833308264 602307768 /nfs/dbraw/zinc/30/77/68/602307768.db2.gz UMVCUTZKNXPEEA-UHFFFAOYSA-N -1 0 346.339 2.104 20 5 EEBDRM COC(=O)N1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000831204582 602315736 /nfs/dbraw/zinc/31/57/36/602315736.db2.gz YEBDDEANCXKGDX-SNVBAGLBSA-N -1 0 337.332 2.244 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N[C@H]2CC(=O)N(C3CC3)C2)cc1Cl ZINC000833306651 604271031 /nfs/dbraw/zinc/27/10/31/604271031.db2.gz BFYXMGFJJPWDRU-ZETCQYMHSA-N -1 0 339.735 2.122 20 5 EEBDRM O=C([O-])c1ccc(OC[C@H](O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000833782734 604534503 /nfs/dbraw/zinc/53/45/03/604534503.db2.gz QPUPACCMBFZIMH-ZDUSSCGKSA-N -1 0 348.267 2.314 20 5 EEBDRM O=C([O-])c1sccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1 ZINC000833115947 604789519 /nfs/dbraw/zinc/78/95/19/604789519.db2.gz JDQXTHPCYZRJBC-UHFFFAOYSA-N -1 0 339.354 2.480 20 5 EEBDRM CCNC(=O)C(C)(C)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000829786232 604798896 /nfs/dbraw/zinc/79/88/96/604798896.db2.gz JYCWRGLACQVSBA-VURMDHGXSA-N -1 0 335.360 2.267 20 5 EEBDRM Cc1nc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])sc1C(=O)[O-] ZINC000833002103 604933449 /nfs/dbraw/zinc/93/34/49/604933449.db2.gz MYQPYFZPSFGVOR-UHFFFAOYSA-N -1 0 339.333 2.157 20 5 EEBDRM CC(C)[C@@H](OC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833474113 605082359 /nfs/dbraw/zinc/08/23/59/605082359.db2.gz WRNCNMSDLCUCCA-SNVBAGLBSA-N -1 0 333.243 2.462 20 5 EEBDRM CC1=C(C(=O)[O-])[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=O)N1C1CC1 ZINC000833577739 605290210 /nfs/dbraw/zinc/29/02/10/605290210.db2.gz QPOHJYYATVDKDT-CYBMUJFWSA-N -1 0 335.291 2.321 20 5 EEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC000833686527 605459095 /nfs/dbraw/zinc/45/90/95/605459095.db2.gz YOJMTDAYJDCCDP-UHFFFAOYSA-N -1 0 348.286 2.474 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000830428763 605675101 /nfs/dbraw/zinc/67/51/01/605675101.db2.gz ZAJKVWQLQXHRJH-NSHDSACASA-N -1 0 336.348 2.476 20 5 EEBDRM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000065124043 677722490 /nfs/dbraw/zinc/72/24/90/677722490.db2.gz JAGKRIAUOQKBFY-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(Cl)nc1 ZINC000123737773 684805074 /nfs/dbraw/zinc/80/50/74/684805074.db2.gz VTCOPZQCYUHNDD-UHFFFAOYSA-N -1 0 345.739 2.261 20 5 EEBDRM CO[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000843798207 1188247998 /nfs/dbraw/zinc/24/79/98/1188247998.db2.gz HNYSPKCIBBMAGG-MRVPVSSYSA-N -1 0 342.657 2.261 20 5 EEBDRM O=C(CCC1CCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120601387 1198263899 /nfs/dbraw/zinc/26/38/99/1198263899.db2.gz CIZYGWBPUYAIAH-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnc(C)s1 ZINC000794870350 1198390172 /nfs/dbraw/zinc/39/01/72/1198390172.db2.gz UTQMYUSHLOMCTB-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000779650541 1210704686 /nfs/dbraw/zinc/70/46/86/1210704686.db2.gz BWSNCPQYRYIWPB-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000795360877 1212009794 /nfs/dbraw/zinc/00/97/94/1212009794.db2.gz CAXNFSWMNLLRGC-LLVKDONJSA-N -1 0 344.389 2.162 20 5 EEBDRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000133546031 1249094445 /nfs/dbraw/zinc/09/44/45/1249094445.db2.gz RABAEXYFESBMCB-SSDOTTSWSA-N -1 0 349.796 2.072 20 5 EEBDRM CN(C)c1ccc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC001213596056 1296102541 /nfs/dbraw/zinc/10/25/41/1296102541.db2.gz KHLQDSCAJLBOSR-UHFFFAOYSA-N -1 0 327.300 2.478 20 5 EEBDRM COc1cc(OC)c(-c2noc(-c3ccc([N+](=O)[O-])cc3[O-])n2)cn1 ZINC001216563989 1297216556 /nfs/dbraw/zinc/21/65/56/1297216556.db2.gz QYZSFPURZPOYDA-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM CSc1nc(O[C@@H]2CC(F)(F)C2(F)F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227628821 1301916666 /nfs/dbraw/zinc/91/66/66/1301916666.db2.gz RGCLGACLHMGKMB-GSVOUGTGSA-N -1 0 329.231 2.234 20 5 EEBDRM CCC[C@@H](CC(=O)OCC)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228602656 1302331994 /nfs/dbraw/zinc/33/19/94/1302331994.db2.gz CYRYLSAIDSNSOH-JTQLQIEISA-N -1 0 339.348 2.469 20 5 EEBDRM O=c1[n-]c(C2CC2)nc(OC[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC001228603883 1302332973 /nfs/dbraw/zinc/33/29/73/1302332973.db2.gz NALCIASOWFFXHQ-SNVBAGLBSA-N -1 0 345.311 2.187 20 5 EEBDRM O=C1OC[C@H](COc2cc3c4ccc(O)cc4oc(=O)c3cc2O)O1 ZINC001229802741 1302950282 /nfs/dbraw/zinc/95/02/82/1302950282.db2.gz KZJXYDHNZBASAM-VIFPVBQESA-N -1 0 344.275 2.272 20 5 EEBDRM CCC[C@@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OCC ZINC001231223945 1303689365 /nfs/dbraw/zinc/68/93/65/1303689365.db2.gz LGIUVXMRZOKXQG-LLVKDONJSA-N -1 0 328.277 2.319 20 5 EEBDRM CCOC(=O)[C@H]1CC[C@@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231225304 1303690676 /nfs/dbraw/zinc/69/06/76/1303690676.db2.gz WHTHFRCKCSGRMX-DTWKUNHWSA-N -1 0 340.288 2.319 20 5 EEBDRM CCOC(=O)C1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCCC1 ZINC000830885610 1314554919 /nfs/dbraw/zinc/55/49/19/1314554919.db2.gz DKSYNTZUAJGFGR-UHFFFAOYSA-N -1 0 337.328 2.467 20 5 EEBDRM O=C(CC1CCCC1)NCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837488179 1315086897 /nfs/dbraw/zinc/08/68/97/1315086897.db2.gz JYTMTFRUXYZGMM-UHFFFAOYSA-N -1 0 336.344 2.040 20 5 EEBDRM CCOC(=O)c1cc(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])[nH]c1C ZINC000837874386 1315115235 /nfs/dbraw/zinc/11/52/35/1315115235.db2.gz DLBNFIPWYQJBJD-UHFFFAOYSA-N -1 0 348.311 2.471 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)CCC2CC2)cccc1[N+](=O)[O-] ZINC000842406948 1315698590 /nfs/dbraw/zinc/69/85/90/1315698590.db2.gz ULFDLRVHUPMTMK-UHFFFAOYSA-N -1 0 326.374 2.039 20 5 EEBDRM O=C([O-])c1cc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])ccn1 ZINC001601287175 1350249375 /nfs/dbraw/zinc/24/93/75/1350249375.db2.gz FBUNBKBNOHTMCR-UHFFFAOYSA-N -1 0 347.302 2.076 20 5 EEBDRM O=C([O-])C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001601821438 1350372425 /nfs/dbraw/zinc/37/24/25/1350372425.db2.gz QUGWVNSKWYLLNW-UHFFFAOYSA-N -1 0 342.348 2.149 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC001601821360 1350372486 /nfs/dbraw/zinc/37/24/86/1350372486.db2.gz OAHIXTNNGQRSCY-KFWWJZLASA-N -1 0 332.356 2.239 20 5 EEBDRM Nc1c(NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc(Cl)cc1[N+](=O)[O-] ZINC001608269887 1351659634 /nfs/dbraw/zinc/65/96/34/1351659634.db2.gz FDDJTWHTTNKXOS-MRVPVSSYSA-N -1 0 340.723 2.125 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cn1 ZINC001608355961 1351677883 /nfs/dbraw/zinc/67/78/83/1351677883.db2.gz BQLPNYMONSIVQG-UHFFFAOYSA-N -1 0 333.325 2.419 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001608648795 1351733215 /nfs/dbraw/zinc/73/32/15/1351733215.db2.gz LRHQKLNKRRBFOR-QMMMGPOBSA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NC[C@@H](O)c2cncs2)c([N+](=O)[O-])c1 ZINC001608661463 1351736881 /nfs/dbraw/zinc/73/68/81/1351736881.db2.gz XARWPUTVAPHDDQ-FXMSTWTQSA-N -1 0 335.341 2.295 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC001608667596 1351737977 /nfs/dbraw/zinc/73/79/77/1351737977.db2.gz MMYSUDYKYFCWCW-SECBINFHSA-N -1 0 326.736 2.479 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC001608785508 1351763146 /nfs/dbraw/zinc/76/31/46/1351763146.db2.gz YLOONWHZQGDNMJ-TWGQIWQCSA-N -1 0 327.296 2.269 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC001608786568 1351763195 /nfs/dbraw/zinc/76/31/95/1351763195.db2.gz JTIJCOWFPQRKGN-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC001608807708 1351768234 /nfs/dbraw/zinc/76/82/34/1351768234.db2.gz VBWFWXOODGHCAS-WDEREUQCSA-N -1 0 337.307 2.308 20 5 EEBDRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001608819049 1351771351 /nfs/dbraw/zinc/77/13/51/1351771351.db2.gz LBOYOFBLZYREAX-SECBINFHSA-N -1 0 334.662 2.183 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCCO[C@@H]1CCOC1 ZINC001608862619 1351780793 /nfs/dbraw/zinc/78/07/93/1351780793.db2.gz HHKYNJSCECCWTN-SECBINFHSA-N -1 0 330.724 2.164 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](n3ccnn3)CC2)c1 ZINC001608915010 1351793521 /nfs/dbraw/zinc/79/35/21/1351793521.db2.gz XXSBNSRZNDRYIA-GFCCVEGCSA-N -1 0 331.332 2.116 20 5 EEBDRM CC(C)(C[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1)C(N)=O ZINC001609673899 1352055852 /nfs/dbraw/zinc/05/58/52/1352055852.db2.gz BJWJDUIIBZYGNZ-LLVKDONJSA-N -1 0 349.387 2.411 20 5 EEBDRM C[C@](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)(C(=O)[O-])C1CC1 ZINC001609773880 1352082366 /nfs/dbraw/zinc/08/23/66/1352082366.db2.gz XTXAKRULVLVXFT-CQSZACIVSA-N -1 0 344.270 2.179 20 5 EEBDRM C[C@@H]1CC2(CCC2)CN1c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001609846691 1352099671 /nfs/dbraw/zinc/09/96/71/1352099671.db2.gz JOLKDKDTLNVRQV-LLVKDONJSA-N -1 0 347.371 2.178 20 5 EEBDRM C[C@H]1CCC[C@@H](N(C)c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001609849597 1352100896 /nfs/dbraw/zinc/10/08/96/1352100896.db2.gz FGYRQXWLRQMIFA-WCQYABFASA-N -1 0 349.387 2.424 20 5 EEBDRM CSC[C@H]1CCCN1c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C ZINC001339824615 1337078742 /nfs/dbraw/zinc/07/87/42/1337078742.db2.gz HJECQQPTOYORRH-SNVBAGLBSA-N -1 0 349.416 2.428 20 5 EEBDRM CC[C@H](CCO)CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001609920287 1352119733 /nfs/dbraw/zinc/11/97/33/1352119733.db2.gz UOUSEMICYRIWTP-SNVBAGLBSA-N -1 0 339.348 2.132 20 5 EEBDRM CC[C@H]1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001609950398 1352127579 /nfs/dbraw/zinc/12/75/79/1352127579.db2.gz AYQCYQYWEPVPMA-NSHDSACASA-N -1 0 335.360 2.036 20 5 EEBDRM CCc1cccc(OCCn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c1 ZINC001610066434 1352154447 /nfs/dbraw/zinc/15/44/47/1352154447.db2.gz QZTFZECXKZTVAR-UHFFFAOYSA-N -1 0 332.312 2.096 20 5 EEBDRM CN(C)c1ccncc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610106419 1352163282 /nfs/dbraw/zinc/16/32/82/1352163282.db2.gz AMJAWZSQDOHIPX-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM CC1(C)CCC(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000847893143 1338366840 /nfs/dbraw/zinc/36/68/40/1338366840.db2.gz OUYGSDAKUUINGP-UHFFFAOYSA-N -1 0 341.389 2.011 20 5 EEBDRM COc1cc(C(=O)N(C)C2(C(=O)[O-])CCCC2)c([N+](=O)[O-])cc1F ZINC001610278552 1352198784 /nfs/dbraw/zinc/19/87/84/1352198784.db2.gz AQZCJBFLQJUDKZ-UHFFFAOYSA-N -1 0 340.307 2.212 20 5 EEBDRM CSCCNC(=S)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001610381943 1352213760 /nfs/dbraw/zinc/21/37/60/1352213760.db2.gz GVVYKBJZROYSCE-UHFFFAOYSA-N -1 0 329.403 2.251 20 5 EEBDRM Cc1c(NC(=O)[C@H]2CSCCS2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610421933 1352219900 /nfs/dbraw/zinc/21/99/00/1352219900.db2.gz KSFFXUCDVOYHSJ-LLVKDONJSA-N -1 0 342.398 2.389 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001610748998 1352268308 /nfs/dbraw/zinc/26/83/08/1352268308.db2.gz PIWMYNITSHQPHO-QMMMGPOBSA-N -1 0 343.336 2.015 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC001610794946 1352275867 /nfs/dbraw/zinc/27/58/67/1352275867.db2.gz AFWRHVLSSGDGDA-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM O=C([O-])c1ccc(OCc2cc(=O)[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC001610837750 1352283083 /nfs/dbraw/zinc/28/30/83/1352283083.db2.gz JLJCHHDCXFJNDA-UHFFFAOYSA-N -1 0 331.284 2.245 20 5 EEBDRM CCC(CC)(CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)C(=O)[O-] ZINC001590428959 1349320873 /nfs/dbraw/zinc/32/08/73/1349320873.db2.gz YBXDGHLBOKSZCQ-UHFFFAOYSA-N -1 0 334.336 2.078 20 5 EEBDRM O=C([O-])c1ccc(-c2nn[nH]n2)c(C=Cc2csc([N+](=O)[O-])c2)n1 ZINC001593282948 1349761767 /nfs/dbraw/zinc/76/17/67/1349761767.db2.gz HXGICNAVARHYRM-IWQZZHSRSA-N -1 0 344.312 2.100 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCc2nc(C(C)C)no2)n1 ZINC001600105235 1349972232 /nfs/dbraw/zinc/97/22/32/1349972232.db2.gz FZJCTRHZAMCWPZ-UHFFFAOYSA-N -1 0 335.320 2.157 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)c2nnc3ccccn32)n1 ZINC001600105451 1349972372 /nfs/dbraw/zinc/97/23/72/1349972372.db2.gz ULBLNAPFOCRZTJ-VIFPVBQESA-N -1 0 342.315 2.212 20 5 EEBDRM Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C(=O)[O-])n2)c(Cl)c1 ZINC001600450347 1350054616 /nfs/dbraw/zinc/05/46/16/1350054616.db2.gz KKICHWZCUBJFOX-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC001600546495 1350079343 /nfs/dbraw/zinc/07/93/43/1350079343.db2.gz UBHVADWYRDOGEJ-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1nc(N(CC(=O)[O-])Cc2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC001600709078 1350119338 /nfs/dbraw/zinc/11/93/38/1350119338.db2.gz JJGVSMKQOFXQAA-UHFFFAOYSA-N -1 0 336.735 2.438 20 5 EEBDRM Nc1c(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc(Cl)cc1[N+](=O)[O-] ZINC001601211939 1350232385 /nfs/dbraw/zinc/23/23/85/1350232385.db2.gz YMARGHKWTLJXQL-SVRRBLITSA-N -1 0 342.739 2.205 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001601217535 1350233921 /nfs/dbraw/zinc/23/39/21/1350233921.db2.gz NCTPNTYMVWOAHE-CYBMUJFWSA-N -1 0 348.286 2.169 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001601217648 1350234003 /nfs/dbraw/zinc/23/40/03/1350234003.db2.gz PDIHGBPCNBOZCM-JTQLQIEISA-N -1 0 341.323 2.396 20 5 EEBDRM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001601221450 1350235568 /nfs/dbraw/zinc/23/55/68/1350235568.db2.gz CBWYILZJPQREKG-NWDGAFQWSA-N -1 0 342.311 2.012 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC001601341985 1350261606 /nfs/dbraw/zinc/26/16/06/1350261606.db2.gz UJJCDCWDPJOQRA-UHFFFAOYSA-N -1 0 346.251 2.463 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001601344678 1350262630 /nfs/dbraw/zinc/26/26/30/1350262630.db2.gz RVDMOYBULKDGKF-UHFFFAOYSA-N -1 0 348.286 2.127 20 5 EEBDRM O=C([O-])C1(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCCC1 ZINC001601351656 1350263899 /nfs/dbraw/zinc/26/38/99/1350263899.db2.gz MIIZYFFZONNDAA-UHFFFAOYSA-N -1 0 342.298 2.319 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC001601361337 1350266550 /nfs/dbraw/zinc/26/65/50/1350266550.db2.gz LQAWTRWOWHJDMD-UHFFFAOYSA-N -1 0 338.316 2.353 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCC2CC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001601884556 1350390508 /nfs/dbraw/zinc/39/05/08/1350390508.db2.gz ZGJOBCSHSNSBAE-DUXPYHPUSA-N -1 0 334.328 2.258 20 5 EEBDRM O=C([O-])CC1(COC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC001601921512 1350397673 /nfs/dbraw/zinc/39/76/73/1350397673.db2.gz CXLNPMLGPLGGLI-UHFFFAOYSA-N -1 0 345.311 2.192 20 5 EEBDRM O=C([O-])CC1(COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC001601923167 1350398330 /nfs/dbraw/zinc/39/83/30/1350398330.db2.gz ZUPDQRSAAYDLHD-UHFFFAOYSA-N -1 0 345.311 2.192 20 5 EEBDRM O=C([O-])c1cc(-c2nc(Cc3cscn3)no2)cc([N+](=O)[O-])c1 ZINC001602235981 1350473053 /nfs/dbraw/zinc/47/30/53/1350473053.db2.gz IFZKAYAWCIMWDM-UHFFFAOYSA-N -1 0 332.297 2.390 20 5 EEBDRM O=C([O-])c1cc(Cn2cc([N+](=O)[O-])nc2Br)cs1 ZINC001602268537 1350482149 /nfs/dbraw/zinc/48/21/49/1350482149.db2.gz MVBCLNAYDNRZNH-UHFFFAOYSA-N -1 0 332.135 2.362 20 5 EEBDRM O=C([O-])c1cc(OS(=O)(=O)CCC2CCC2)ccc1[N+](=O)[O-] ZINC001602288091 1350486142 /nfs/dbraw/zinc/48/61/42/1350486142.db2.gz CWJGWQLVOIEMDT-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCc3nccnc3C2)cc1Cl ZINC001602298710 1350487789 /nfs/dbraw/zinc/48/77/89/1350487789.db2.gz GBMIXZDYOPLRNY-UHFFFAOYSA-N -1 0 334.719 2.299 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CCc2nccnc2C1 ZINC001602298456 1350487793 /nfs/dbraw/zinc/48/77/93/1350487793.db2.gz IEUPNYTXIQTZLC-UHFFFAOYSA-N -1 0 334.719 2.299 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)[nH]1 ZINC001602326356 1350495044 /nfs/dbraw/zinc/49/50/44/1350495044.db2.gz WLNMDLNDOUWRRZ-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001602600102 1350554328 /nfs/dbraw/zinc/55/43/28/1350554328.db2.gz BPRNBXYMMHDAJR-ZDUSSCGKSA-N -1 0 346.251 2.486 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C2 ZINC001602622792 1350559961 /nfs/dbraw/zinc/55/99/61/1350559961.db2.gz NEKYAUQXTZKYBG-AYVTZFPOSA-N -1 0 340.282 2.200 20 5 EEBDRM C/C(=C\C(=O)Nc1cnn(CC(=O)[O-])c1C)c1ccc([N+](=O)[O-])cc1 ZINC001602955267 1350610486 /nfs/dbraw/zinc/61/04/86/1350610486.db2.gz NUXGVTDIUSMHKT-JXMROGBWSA-N -1 0 344.327 2.226 20 5 EEBDRM C[C@@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001603154328 1350651645 /nfs/dbraw/zinc/65/16/45/1350651645.db2.gz BXDHBHCZZBWKGH-LHLIQPBNSA-N -1 0 334.250 2.062 20 5 EEBDRM CC1(C)CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC001603777800 1350765691 /nfs/dbraw/zinc/76/56/91/1350765691.db2.gz QIFDSSBWVXJCRM-UHFFFAOYSA-N -1 0 331.380 2.374 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604528123 1350955393 /nfs/dbraw/zinc/95/53/93/1350955393.db2.gz IRVBYORUEACSJI-UHFFFAOYSA-N -1 0 328.288 2.183 20 5 EEBDRM CCOC[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCO1 ZINC001605626092 1351204163 /nfs/dbraw/zinc/20/41/63/1351204163.db2.gz NOZLBOMOIBVESN-JTQLQIEISA-N -1 0 344.751 2.188 20 5 EEBDRM CCn1nc(C)c(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC001605939748 1351257116 /nfs/dbraw/zinc/25/71/16/1351257116.db2.gz KVRFMPYVPPQBAH-UHFFFAOYSA-N -1 0 339.739 2.478 20 5 EEBDRM COC(=O)c1ccnc(NCC2(CC(=O)[O-])CCCC2)c1[N+](=O)[O-] ZINC001606621552 1351333525 /nfs/dbraw/zinc/33/35/25/1351333525.db2.gz CJTGHLIHOYUDBD-UHFFFAOYSA-N -1 0 337.332 2.223 20 5 EEBDRM CO[C@H]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001606732612 1351348550 /nfs/dbraw/zinc/34/85/50/1351348550.db2.gz GWAQDXSJFPFJBR-MNOVXSKESA-N -1 0 337.332 2.290 20 5 EEBDRM COCC(C)(C)CCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001606778746 1351355389 /nfs/dbraw/zinc/35/53/89/1351355389.db2.gz XZBBNQQKTQHMLT-UHFFFAOYSA-N -1 0 338.360 2.476 20 5 EEBDRM O=[N+]([O-])c1cn(Cc2cccc(Cl)c2Cl)nc1-c1nnn[n-]1 ZINC001607086270 1351412730 /nfs/dbraw/zinc/41/27/30/1351412730.db2.gz JYNVAIOVWLVQJK-UHFFFAOYSA-N -1 0 340.130 2.327 20 5 EEBDRM Cc1c(NC(=O)N2CC[C@H](CF)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607544370 1351513679 /nfs/dbraw/zinc/51/36/79/1351513679.db2.gz UEJQQAFVINEKGR-SECBINFHSA-N -1 0 325.296 2.425 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001607621393 1351527200 /nfs/dbraw/zinc/52/72/00/1351527200.db2.gz XCMVXTAQCCNFSK-UHFFFAOYSA-N -1 0 329.312 2.486 20 5 EEBDRM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC001607661878 1351535373 /nfs/dbraw/zinc/53/53/73/1351535373.db2.gz DAGPHNWSAMPQHY-AWEZNQCLSA-N -1 0 348.286 2.304 20 5 EEBDRM Cc1cc(N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c(F)cc1[N+](=O)[O-] ZINC001607669348 1351536215 /nfs/dbraw/zinc/53/62/15/1351536215.db2.gz HKCHSZZYCDUPGB-JTQLQIEISA-N -1 0 349.322 2.174 20 5 EEBDRM Cc1ccc(CNC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001607782932 1351557833 /nfs/dbraw/zinc/55/78/33/1351557833.db2.gz SRPBKJNLDAKEGH-INIZCTEOSA-N -1 0 335.360 2.300 20 5 EEBDRM Cc1ccc(O[C@H]2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C2)nc1 ZINC001607812209 1351564206 /nfs/dbraw/zinc/56/42/06/1351564206.db2.gz WUAQTEKVNBVJCY-NSHDSACASA-N -1 0 344.327 2.049 20 5 EEBDRM Nc1c(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001608267023 1351659131 /nfs/dbraw/zinc/65/91/31/1351659131.db2.gz RBMIVIYAUDREDM-NSHDSACASA-N -1 0 335.360 2.188 20 5 EEBDRM Nc1c(C(=O)N2CCc3c2cccc3C(=O)[O-])cccc1[N+](=O)[O-] ZINC001608269008 1351659381 /nfs/dbraw/zinc/65/93/81/1351659381.db2.gz PQMHCMMBKYNGRB-UHFFFAOYSA-N -1 0 327.296 2.078 20 5 EEBDRM O=C([O-])c1ccn(CCCC(=O)OCc2ccc([N+](=O)[O-])cc2)n1 ZINC001608306789 1351667606 /nfs/dbraw/zinc/66/76/06/1351667606.db2.gz AFAIVEYGLUXGPR-UHFFFAOYSA-N -1 0 333.300 2.013 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)nc1 ZINC001608362672 1351679100 /nfs/dbraw/zinc/67/91/00/1351679100.db2.gz CYYDUKUQDJELEL-UHFFFAOYSA-N -1 0 349.730 2.200 20 5 EEBDRM C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000177712236 1405762332 /nfs/dbraw/zinc/76/23/32/1405762332.db2.gz YXHBCOORJXVOQJ-QWRGUYRKSA-N -1 0 326.374 2.226 20 5 EEBDRM O=C(Nc1cccc(CN2CCOC2=O)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918587280 769238133 /nfs/dbraw/zinc/23/81/33/769238133.db2.gz BGAGYHXFJIBKTO-UHFFFAOYSA-N -1 0 330.300 2.127 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CC1CCCC1 ZINC000071966556 782728963 /nfs/dbraw/zinc/72/89/63/782728963.db2.gz GWVLXAMHNYTFMJ-UHFFFAOYSA-N -1 0 326.374 2.288 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000112493471 786064032 /nfs/dbraw/zinc/06/40/32/786064032.db2.gz SHMYBFIWWKLVOC-SNVBAGLBSA-N -1 0 328.390 2.399 20 5 EEBDRM CCCCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC ZINC000821603105 786818391 /nfs/dbraw/zinc/81/83/91/786818391.db2.gz KDGGIARKJMHOFB-UHFFFAOYSA-N -1 0 343.405 2.412 20 5 EEBDRM CCc1ccc(C(=O)[N-]S(=O)(=O)CC2CCC2)cc1[N+](=O)[O-] ZINC000164882082 789318033 /nfs/dbraw/zinc/31/80/33/789318033.db2.gz GYYQKGYHRTYKMR-UHFFFAOYSA-N -1 0 326.374 2.017 20 5 EEBDRM Cc1c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)cnn1C ZINC000793396361 810318993 /nfs/dbraw/zinc/31/89/93/810318993.db2.gz ZNVHEOJNLGXPDH-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1(C(F)F)CCCC1 ZINC000808976494 812921937 /nfs/dbraw/zinc/92/19/37/812921937.db2.gz PAGPQUKZCGIQBT-UHFFFAOYSA-N -1 0 348.327 2.225 20 5 EEBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC001589595002 949133745 /nfs/dbraw/zinc/13/37/45/949133745.db2.gz TZORRJLXXQJZAH-QGZVFWFLSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)ccn1 ZINC001595208094 952346238 /nfs/dbraw/zinc/34/62/38/952346238.db2.gz QEMZAWNAUUYGCP-STQMWFEESA-N -1 0 327.296 2.430 20 5 EEBDRM CC(C)(NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1[N+](=O)[O-] ZINC001602952087 971929093 /nfs/dbraw/zinc/92/90/93/971929093.db2.gz RVBDTFMNBUAFKV-UHFFFAOYSA-N -1 0 329.312 2.353 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000901475377 956320228 /nfs/dbraw/zinc/32/02/28/956320228.db2.gz OKOFXXZHJYBAMA-QMMMGPOBSA-N -1 0 335.179 2.468 20 5 EEBDRM Nc1c(NC(=O)NC2(CC(=O)[O-])CCC2)cc(Cl)cc1[N+](=O)[O-] ZINC001594662783 956547007 /nfs/dbraw/zinc/54/70/07/956547007.db2.gz GEEVAKOOFWARKH-UHFFFAOYSA-N -1 0 342.739 2.349 20 5 EEBDRM CC(=O)N[C@@H](CSCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000069555615 957653388 /nfs/dbraw/zinc/65/33/88/957653388.db2.gz IGHVZIHCQFTVPN-NSHDSACASA-N -1 0 332.765 2.071 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001574015783 961944984 /nfs/dbraw/zinc/94/49/84/961944984.db2.gz MPVGBVYULIOXDH-HNNXBMFYSA-N -1 0 334.372 2.487 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001588935123 962487648 /nfs/dbraw/zinc/48/76/48/962487648.db2.gz JWWRLNJAGCUNOL-GWCFXTLKSA-N -1 0 336.344 2.460 20 5 EEBDRM CC[C@H](OC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC001609937707 970611167 /nfs/dbraw/zinc/61/11/67/970611167.db2.gz VCJPKQGFDNZLGR-VIFPVBQESA-N -1 0 329.330 2.345 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c1[N+](=O)[O-] ZINC001591921061 976392318 /nfs/dbraw/zinc/39/23/18/976392318.db2.gz PGNGMMCUISLFST-AZKDTHOKSA-N -1 0 338.364 2.205 20 5 EEBDRM O=C([O-])CN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000692399848 976446480 /nfs/dbraw/zinc/44/64/80/976446480.db2.gz AGNIOAFBUHCTCB-UHFFFAOYSA-N -1 0 344.323 2.087 20 5 EEBDRM CO[C@@]1(C(=O)[O-])CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000703742590 977183045 /nfs/dbraw/zinc/18/30/45/977183045.db2.gz QGTWPFYUSQGSRD-LBPRGKRZSA-N -1 0 345.149 2.037 20 5 EEBDRM C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[C@H]1C(=O)[O-] ZINC000863734194 979675180 /nfs/dbraw/zinc/67/51/80/979675180.db2.gz LNIOOTZMHDSLPZ-GXSJLCMTSA-N -1 0 333.344 2.027 20 5 EEBDRM CC[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC001595487592 981232927 /nfs/dbraw/zinc/23/29/27/981232927.db2.gz KOSBTGVHPCVAKB-CVMYLJOVSA-N -1 0 340.401 2.024 20 5 EEBDRM CCC[C@]1(CO)CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595616870 981646453 /nfs/dbraw/zinc/64/64/53/981646453.db2.gz HBRMETQNWUKJPV-MRXNPFEDSA-N -1 0 336.344 2.060 20 5 EEBDRM CCC(C)(C)C(=O)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001594792168 981858978 /nfs/dbraw/zinc/85/89/78/981858978.db2.gz XNZUEZDOTNASDA-MRXNPFEDSA-N -1 0 336.344 2.016 20 5 EEBDRM CC[C@@H](C)C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594953132 982677742 /nfs/dbraw/zinc/67/77/42/982677742.db2.gz PZIVXOXQVJXUAX-SKDRFNHKSA-N -1 0 344.389 2.300 20 5 EEBDRM CCN(C(C)(C)C(=O)[O-])S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC001596175099 983542390 /nfs/dbraw/zinc/54/23/90/983542390.db2.gz SUWRNTKDKKDOBY-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM CCNc1ccc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC001596501371 984254869 /nfs/dbraw/zinc/25/48/69/984254869.db2.gz RJPJYJXNEIHNOY-MRXNPFEDSA-N -1 0 335.360 2.400 20 5 EEBDRM C[C@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccccc1[N+](=O)[O-] ZINC001599894108 984731509 /nfs/dbraw/zinc/73/15/09/984731509.db2.gz NXULVOQHKVGUKM-JQWIXIFHSA-N -1 0 335.360 2.456 20 5 EEBDRM CCOc1ccc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1[N+](=O)[O-] ZINC001597060558 986547424 /nfs/dbraw/zinc/54/74/24/986547424.db2.gz VZIIIIDZMWUJPG-PBHICJAKSA-N -1 0 348.355 2.463 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C(=O)[O-])n1 ZINC001597143025 986896147 /nfs/dbraw/zinc/89/61/47/986896147.db2.gz QXWTXWGKJBSUMX-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001597272483 987321760 /nfs/dbraw/zinc/32/17/60/987321760.db2.gz FHLCRFTZWQRDHB-UHFFFAOYSA-N -1 0 348.340 2.447 20 5 EEBDRM CSc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599817667 988454587 /nfs/dbraw/zinc/45/45/87/988454587.db2.gz PFARLGIDEDSHGT-UHFFFAOYSA-N -1 0 348.340 2.244 20 5 EEBDRM C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC001599838769 988789170 /nfs/dbraw/zinc/78/91/70/988789170.db2.gz UZWPYBGHDJEHGV-DDTOSNHZSA-N -1 0 347.371 2.408 20 5 EEBDRM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1ccc([N+](=O)[O-])cc1 ZINC001599839831 988806877 /nfs/dbraw/zinc/80/68/77/988806877.db2.gz YHUHZNDVCWCPIG-SNVBAGLBSA-N -1 0 344.327 2.500 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(C(=O)[O-])c3)no2)n1 ZINC001597899353 989770033 /nfs/dbraw/zinc/77/00/33/989770033.db2.gz IGOVYINQZLYQFU-UHFFFAOYSA-N -1 0 329.272 2.226 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])n1 ZINC001597900272 989773559 /nfs/dbraw/zinc/77/35/59/989773559.db2.gz XUKUPPUNGOMBQV-UHFFFAOYSA-N -1 0 340.242 2.040 20 5 EEBDRM COc1ncccc1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599737806 991801107 /nfs/dbraw/zinc/80/11/07/991801107.db2.gz SPWOAFPOWYNNBF-UHFFFAOYSA-N -1 0 333.300 2.074 20 5 EEBDRM CN(Cc1ccc(C(N)=O)cc1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598517957 992641574 /nfs/dbraw/zinc/64/15/74/992641574.db2.gz OCALGDHEFOGXBO-UHFFFAOYSA-N -1 0 329.312 2.028 20 5 EEBDRM CNC(=O)c1cccc(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001598660858 994594093 /nfs/dbraw/zinc/59/40/93/994594093.db2.gz KAYGLIHAYJZSJT-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC1(C(=O)[O-])CC1 ZINC001593619686 995863119 /nfs/dbraw/zinc/86/31/19/995863119.db2.gz KZDNRHFGCADJJN-MRVPVSSYSA-N -1 0 343.719 2.424 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001599186602 997037054 /nfs/dbraw/zinc/03/70/54/997037054.db2.gz FWHKYMJILJHYML-RCMYXZNBSA-N -1 0 348.355 2.090 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001594156598 998571344 /nfs/dbraw/zinc/57/13/44/998571344.db2.gz NHOYVJUDFUMJEZ-ZJUUUORDSA-N -1 0 344.327 2.470 20 5 EEBDRM COc1ccc(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc1[N+](=O)[O-] ZINC000261779260 244676827 /nfs/dbraw/zinc/67/68/27/244676827.db2.gz XRFFLEOFWISZFN-MRXNPFEDSA-N -1 0 336.344 2.176 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000262273491 244897887 /nfs/dbraw/zinc/89/78/87/244897887.db2.gz VHXCRGWBEIIWQV-VIFPVBQESA-N -1 0 326.374 2.302 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262563001 245034335 /nfs/dbraw/zinc/03/43/35/245034335.db2.gz XBEPTMSQSAYUPK-UHFFFAOYSA-N -1 0 332.316 2.053 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)n1 ZINC000116602669 152058549 /nfs/dbraw/zinc/05/85/49/152058549.db2.gz DPLCZSGMZGJGNK-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000262815924 152322784 /nfs/dbraw/zinc/32/27/84/152322784.db2.gz ALTIMYJXJSYVMO-QGZVFWFLSA-N -1 0 345.355 2.263 20 5 EEBDRM O=C([O-])CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000262822075 152323606 /nfs/dbraw/zinc/32/36/06/152323606.db2.gz WAXHZMXTRYGKJH-UHFFFAOYSA-N -1 0 326.736 2.304 20 5 EEBDRM O=C([O-])[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C(F)(F)F ZINC000262905080 152336826 /nfs/dbraw/zinc/33/68/26/152336826.db2.gz DZVVIUIAYOHBCN-NXEZZACHSA-N -1 0 336.241 2.429 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000263030120 152360369 /nfs/dbraw/zinc/36/03/69/152360369.db2.gz ONBUHYWOGNWPOW-XCBNKYQSSA-N -1 0 348.327 2.300 20 5 EEBDRM CC(C)Cc1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000355888750 153187466 /nfs/dbraw/zinc/18/74/66/153187466.db2.gz VEYKRARDCOVJFS-UHFFFAOYSA-N -1 0 336.373 2.384 20 5 EEBDRM CCOC(=O)c1ccnc(NC2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000263555905 160472099 /nfs/dbraw/zinc/47/20/99/160472099.db2.gz OHPLOHHTUIWLHB-UHFFFAOYSA-N -1 0 337.332 2.222 20 5 EEBDRM CCC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C(=O)[O-] ZINC000263566640 160472530 /nfs/dbraw/zinc/47/25/30/160472530.db2.gz WTLBCHFWAZMJIT-CYBMUJFWSA-N -1 0 335.360 2.496 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1N1CCOCC1 ZINC000092546033 159222670 /nfs/dbraw/zinc/22/26/70/159222670.db2.gz UBVCHNNTNPIFCV-UHFFFAOYSA-N -1 0 343.339 2.389 20 5 EEBDRM COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000349105777 161514627 /nfs/dbraw/zinc/51/46/27/161514627.db2.gz HIXSJGIRAUYLRB-GQCTYLIASA-N -1 0 345.311 2.205 20 5 EEBDRM CC(C)N(C)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000352028053 162036208 /nfs/dbraw/zinc/03/62/08/162036208.db2.gz RZJWEJZVTRPGOC-XQRVVYSFSA-N -1 0 331.332 2.206 20 5 EEBDRM O=C(NCc1ccc2c(c1)OCCO2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356233112 163373753 /nfs/dbraw/zinc/37/37/53/163373753.db2.gz YZTIARLBNGCVHD-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM COC1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000356245492 163378240 /nfs/dbraw/zinc/37/82/40/163378240.db2.gz JZQDDKLCYOROQV-UHFFFAOYSA-N -1 0 346.380 2.362 20 5 EEBDRM C[C@@H](N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1)C(F)(F)F ZINC000156613616 224683803 /nfs/dbraw/zinc/68/38/03/224683803.db2.gz RFMWQJNSWFJEHF-SECBINFHSA-N -1 0 347.293 2.009 20 5 EEBDRM CCOC(=O)NCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272145887 268916104 /nfs/dbraw/zinc/91/61/04/268916104.db2.gz VHBGWGBCCNWXEZ-UHFFFAOYSA-N -1 0 331.712 2.029 20 5 EEBDRM CC(C)OCCCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000272808420 269022200 /nfs/dbraw/zinc/02/22/00/269022200.db2.gz GIWZULKYZFTYLZ-UHFFFAOYSA-N -1 0 334.369 2.217 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CCC(=O)[O-])C(C)C)cc1C ZINC000275179897 269100814 /nfs/dbraw/zinc/10/08/14/269100814.db2.gz XUNGXTZZCPJPKJ-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])[nH]1 ZINC000278006321 269205980 /nfs/dbraw/zinc/20/59/80/269205980.db2.gz XEAMJTAGVYSPBL-DTWKUNHWSA-N -1 0 333.348 2.423 20 5 EEBDRM CCOCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000281238078 292743511 /nfs/dbraw/zinc/74/35/11/292743511.db2.gz SUMONZCOOWWBLS-UHFFFAOYSA-N -1 0 340.760 2.092 20 5 EEBDRM O=C([N-]N1CCCCC1=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294506086 293471576 /nfs/dbraw/zinc/47/15/76/293471576.db2.gz JUVKLOSANZHXHT-UHFFFAOYSA-N -1 0 331.250 2.271 20 5 EEBDRM CC[C@@H](COCC(F)(F)F)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000295425351 293714823 /nfs/dbraw/zinc/71/48/23/293714823.db2.gz MXDMNBYJXJWLIC-QMMMGPOBSA-N -1 0 336.266 2.388 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCC(=O)[O-])CC(C)C ZINC000299333941 294716845 /nfs/dbraw/zinc/71/68/45/294716845.db2.gz DCVDRSDBXPEDPR-UHFFFAOYSA-N -1 0 344.389 2.025 20 5 EEBDRM COc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000013225253 295094396 /nfs/dbraw/zinc/09/43/96/295094396.db2.gz CKYWJMMVFUPGCS-JKOKRWQUSA-N -1 0 348.355 2.461 20 5 EEBDRM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1NC(N)=O ZINC000427942135 295162345 /nfs/dbraw/zinc/16/23/45/295162345.db2.gz SRRXGKDPMVYIOX-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCC(C)CC1 ZINC000355475270 301012332 /nfs/dbraw/zinc/01/23/32/301012332.db2.gz SPJZYTIJNNKWSZ-UHFFFAOYSA-N -1 0 342.373 2.022 20 5 EEBDRM O=C(CNC(=O)c1ccccc1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180788279 311466031 /nfs/dbraw/zinc/46/60/31/311466031.db2.gz QITQNNQIXKIFQR-UHFFFAOYSA-N -1 0 349.730 2.322 20 5 EEBDRM Cc1c(CC(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000332044338 311940848 /nfs/dbraw/zinc/94/08/48/311940848.db2.gz LJORHIDELVUZOY-CYBMUJFWSA-N -1 0 345.359 2.023 20 5 EEBDRM CC[C@@](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)(C(=O)[O-])c1ccccc1 ZINC000414438050 313020847 /nfs/dbraw/zinc/02/08/47/313020847.db2.gz IQKITVSBIKZRCX-INIZCTEOSA-N -1 0 331.328 2.085 20 5 EEBDRM Cc1nc2ccc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cn2n1 ZINC000430351581 314522061 /nfs/dbraw/zinc/52/20/61/314522061.db2.gz BZRDDGPTXFCTQT-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM COc1ccc(OC)c(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436632309 314982533 /nfs/dbraw/zinc/98/25/33/314982533.db2.gz DEZVBIBDOQBKHF-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM COC(=O)c1ccc(F)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436648801 314983669 /nfs/dbraw/zinc/98/36/69/314983669.db2.gz NAEDQBJHBRFQOG-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM C[S@](=O)Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436711100 314991642 /nfs/dbraw/zinc/99/16/42/314991642.db2.gz CXQBLWMAIOHLMS-DEOSSOPVSA-N -1 0 348.380 2.109 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccs1 ZINC000436957078 315015836 /nfs/dbraw/zinc/01/58/36/315015836.db2.gz RSNPIOAGUNAQKK-GFCCVEGCSA-N -1 0 336.325 2.006 20 5 EEBDRM CCCN(CC1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000516974253 316623912 /nfs/dbraw/zinc/62/39/12/316623912.db2.gz WINNMPYMGGCWFH-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM COc1cc(/C=C(/C)c2cnccn2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000548139714 318358730 /nfs/dbraw/zinc/35/87/30/318358730.db2.gz RLCAJHQAEHBYHY-YHYXMXQVSA-N -1 0 345.311 2.417 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000562884263 318941361 /nfs/dbraw/zinc/94/13/61/318941361.db2.gz DRHFXKXBQBTHEI-WPRPVWTQSA-N -1 0 345.302 2.372 20 5 EEBDRM CCOc1ccc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000565086663 319147777 /nfs/dbraw/zinc/14/77/77/319147777.db2.gz AWYNTIZUPSRFRE-LBPRGKRZSA-N -1 0 336.344 2.224 20 5 EEBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000565281955 319167967 /nfs/dbraw/zinc/16/79/67/319167967.db2.gz DGEMTPIVFMUOTP-IINYFYTJSA-N -1 0 329.312 2.182 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCN(c3ccccc3)CC2)n1 ZINC000571526337 319763761 /nfs/dbraw/zinc/76/37/61/319763761.db2.gz CNOVPRKXOYYAGX-UHFFFAOYSA-N -1 0 342.355 2.405 20 5 EEBDRM O=C([O-])c1cnc(N2CCC3(CCC(O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000573004098 319896873 /nfs/dbraw/zinc/89/68/73/319896873.db2.gz MZQVZWPBCYPWAS-UHFFFAOYSA-N -1 0 335.360 2.210 20 5 EEBDRM CCCN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000576515477 320178724 /nfs/dbraw/zinc/17/87/24/320178724.db2.gz QXWVHJQQQSTYDL-UHFFFAOYSA-N -1 0 342.373 2.165 20 5 EEBDRM O=C([O-])C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000577286071 320247196 /nfs/dbraw/zinc/24/71/96/320247196.db2.gz NLKANKGYIKVMKB-GFCCVEGCSA-N -1 0 332.316 2.084 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCOC[C@@H]1C1CC1 ZINC000577853141 320279987 /nfs/dbraw/zinc/27/99/87/320279987.db2.gz WUZQPOCDQOBQMA-GFCCVEGCSA-N -1 0 326.736 2.205 20 5 EEBDRM O=[N+]([O-])c1ccc(OCCN=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000578428788 320313487 /nfs/dbraw/zinc/31/34/87/320313487.db2.gz IXHXPGROTRZEGN-UHFFFAOYSA-N -1 0 334.279 2.378 20 5 EEBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000582967853 324566341 /nfs/dbraw/zinc/56/63/41/324566341.db2.gz JCAPPTMBRSLHQE-LBPRGKRZSA-N -1 0 344.249 2.315 20 5 EEBDRM CCc1oc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000339090811 465076033 /nfs/dbraw/zinc/07/60/33/465076033.db2.gz YIKXJVIXWPNKJJ-UHFFFAOYSA-N -1 0 347.327 2.290 20 5 EEBDRM Cn1nc(-c2ccncc2)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000075162334 462689505 /nfs/dbraw/zinc/68/95/05/462689505.db2.gz XBTGGMZVFXAKON-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM COC(=O)c1sccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000013947560 462906211 /nfs/dbraw/zinc/90/62/11/462906211.db2.gz FXCFCVSRUBLBSX-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)c3ccccc3F)c2c1 ZINC000135527685 463169849 /nfs/dbraw/zinc/16/98/49/463169849.db2.gz DGHGZASEJXMMIF-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCn2cncc2C1 ZINC000097114568 463330440 /nfs/dbraw/zinc/33/04/40/463330440.db2.gz SXXJNQFHKLDHBR-QMMMGPOBSA-N -1 0 336.735 2.351 20 5 EEBDRM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000142569393 463362510 /nfs/dbraw/zinc/36/25/10/463362510.db2.gz DIKUNWPAIZGMHF-UHFFFAOYSA-N -1 0 344.249 2.463 20 5 EEBDRM CCNC(=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000164260649 463618680 /nfs/dbraw/zinc/61/86/80/463618680.db2.gz PEBHICGBZQKZPV-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000287762451 463991963 /nfs/dbraw/zinc/99/19/63/463991963.db2.gz HLMRBMCNAMQURU-ZDUSSCGKSA-N -1 0 348.277 2.220 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263225592 464066658 /nfs/dbraw/zinc/06/66/58/464066658.db2.gz AIJDFZYVEIABIR-APPDUMDISA-N -1 0 348.355 2.320 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](O)Cc1ccccc1 ZINC000179547710 464155459 /nfs/dbraw/zinc/15/54/59/464155459.db2.gz ORYKFPKCMYATBX-BDJLRTHQSA-N -1 0 330.340 2.022 20 5 EEBDRM Cc1cc(N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)ncc1[N+](=O)[O-] ZINC000292376298 464212938 /nfs/dbraw/zinc/21/29/38/464212938.db2.gz SHNQXEUGAXRXNG-NXEZZACHSA-N -1 0 346.309 2.334 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)o2)c([N+](=O)[O-])c1 ZINC000272086363 464473613 /nfs/dbraw/zinc/47/36/13/464473613.db2.gz CDQWCXQVOKILMZ-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000285204517 464486236 /nfs/dbraw/zinc/48/62/36/464486236.db2.gz WLCZDFXAVDCKMZ-UHFFFAOYSA-N -1 0 340.336 2.068 20 5 EEBDRM O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272577784 464667318 /nfs/dbraw/zinc/66/73/18/464667318.db2.gz PYZJLCGYEUSBHF-CQSZACIVSA-N -1 0 336.344 2.106 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)cc1 ZINC000176417354 464768961 /nfs/dbraw/zinc/76/89/61/464768961.db2.gz FLCVHRJEMLRMLD-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM Cn1ccnc1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1(C)C ZINC000295867745 464991276 /nfs/dbraw/zinc/99/12/76/464991276.db2.gz LDLSIDXHNRGFJJ-ZDUSSCGKSA-N -1 0 330.344 2.257 20 5 EEBDRM CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000600050933 468443845 /nfs/dbraw/zinc/44/38/45/468443845.db2.gz NPVPJPRDYYZYHN-UHFFFAOYSA-N -1 0 348.315 2.231 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000362421369 465723818 /nfs/dbraw/zinc/72/38/18/465723818.db2.gz UJKWQFWKMDVHAX-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s[n-]1 ZINC000338017426 465751828 /nfs/dbraw/zinc/75/18/28/465751828.db2.gz LVTXWRZOGXKWTK-LURJTMIESA-N -1 0 342.764 2.481 20 5 EEBDRM CC(C)N(C)C(=O)C1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000330761624 465794571 /nfs/dbraw/zinc/79/45/71/465794571.db2.gz NFNXHUOAVNKBOD-UHFFFAOYSA-N -1 0 349.387 2.019 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000371588340 465890605 /nfs/dbraw/zinc/89/06/05/465890605.db2.gz MALJYLCOVBILKR-UHFFFAOYSA-N -1 0 336.373 2.237 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)c([N+](=O)[O-])c1 ZINC000357330403 465955120 /nfs/dbraw/zinc/95/51/20/465955120.db2.gz GXQLNQKRRVPQCS-UHFFFAOYSA-N -1 0 348.340 2.286 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000350279690 466447195 /nfs/dbraw/zinc/44/71/95/466447195.db2.gz PGBQMEIIUNOESE-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ncsc2C(C)C)c([N+](=O)[O-])n1 ZINC000341098511 466582872 /nfs/dbraw/zinc/58/28/72/466582872.db2.gz QBGNXDJGVDSWAP-UHFFFAOYSA-N -1 0 345.406 2.192 20 5 EEBDRM Cc1cccc(CN(C)S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000321436317 466622815 /nfs/dbraw/zinc/62/28/15/466622815.db2.gz FJQDRBAXTXCZOA-UHFFFAOYSA-N -1 0 336.369 2.430 20 5 EEBDRM Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000363799924 466623492 /nfs/dbraw/zinc/62/34/92/466623492.db2.gz LXFVSOQLJJBGSG-CYBMUJFWSA-N -1 0 330.344 2.320 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000323538654 466639274 /nfs/dbraw/zinc/63/92/74/466639274.db2.gz NUACQUFUGCDDQB-UHFFFAOYSA-N -1 0 325.321 2.226 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN2CCOc3cccc1c32 ZINC000373470323 466814534 /nfs/dbraw/zinc/81/45/34/466814534.db2.gz FQMMROBEURQHQP-UHFFFAOYSA-N -1 0 341.323 2.160 20 5 EEBDRM C[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000424239481 467011076 /nfs/dbraw/zinc/01/10/76/467011076.db2.gz CSODSMLWHNMKHY-MEBBXXQBSA-N -1 0 347.371 2.494 20 5 EEBDRM CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(=O)[O-] ZINC000424372131 467035010 /nfs/dbraw/zinc/03/50/10/467035010.db2.gz HDBHJIHESSNJDF-JTQLQIEISA-N -1 0 344.389 2.157 20 5 EEBDRM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000366076744 467050677 /nfs/dbraw/zinc/05/06/77/467050677.db2.gz YRXZWVOXHRNJQQ-ZDUSSCGKSA-N -1 0 330.344 2.320 20 5 EEBDRM CCOC(=O)c1ccnc(NCC(CC)(CC)C(=O)[O-])c1[N+](=O)[O-] ZINC000424464533 467057257 /nfs/dbraw/zinc/05/72/57/467057257.db2.gz DRILTQUDBDMYNE-UHFFFAOYSA-N -1 0 339.348 2.469 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(CCO)Cc1cccc(F)c1 ZINC000427533240 467162887 /nfs/dbraw/zinc/16/28/87/467162887.db2.gz GZXASBPEHPZCMC-UHFFFAOYSA-N -1 0 334.303 2.074 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnc2c(c1)COCC2 ZINC000378470621 467313520 /nfs/dbraw/zinc/31/35/20/467313520.db2.gz FRQZWUXFWVMUPL-UHFFFAOYSA-N -1 0 349.368 2.172 20 5 EEBDRM C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)OC(C)(C)C ZINC000458353710 467813903 /nfs/dbraw/zinc/81/39/03/467813903.db2.gz MOQJKOOUCMPASG-SNVBAGLBSA-N -1 0 338.360 2.350 20 5 EEBDRM O=C([O-])CCN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000493586301 467942944 /nfs/dbraw/zinc/94/29/44/467942944.db2.gz OSBIKKCHQQCAHU-PLNGDYQASA-N -1 0 348.355 2.090 20 5 EEBDRM CN(CC(=O)NC1(CC(=O)[O-])CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000531742641 468072425 /nfs/dbraw/zinc/07/24/25/468072425.db2.gz AIUJPGQQEBBNKC-UHFFFAOYSA-N -1 0 349.387 2.325 20 5 EEBDRM O=C([O-])c1cc(NCc2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000556729376 468558071 /nfs/dbraw/zinc/55/80/71/468558071.db2.gz OSBYSRMMDMPGBN-UHFFFAOYSA-N -1 0 331.332 2.223 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594464252 468596604 /nfs/dbraw/zinc/59/66/04/468596604.db2.gz WIEIZNHIRSRMMN-JIMOISOXSA-N -1 0 335.360 2.163 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000583027385 468632295 /nfs/dbraw/zinc/63/22/95/468632295.db2.gz MMIVXMLHEHHKJE-BIMULSAOSA-N -1 0 333.344 2.366 20 5 EEBDRM O=c1[nH]cnc2c1CCN(c1cc(C(F)(F)F)ncc1[N+](=O)[O-])C2 ZINC000571007865 468725318 /nfs/dbraw/zinc/72/53/18/468725318.db2.gz VNZPYIUAHKSKOK-UHFFFAOYSA-N -1 0 341.249 2.067 20 5 EEBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000583696316 468742274 /nfs/dbraw/zinc/74/22/74/468742274.db2.gz NXVVUCYYMSOOII-ZDUSSCGKSA-N -1 0 345.277 2.406 20 5 EEBDRM C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000595248215 468792475 /nfs/dbraw/zinc/79/24/75/468792475.db2.gz SDTAJMPNUACSPU-LLVKDONJSA-N -1 0 348.355 2.467 20 5 EEBDRM Cc1cccc([C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C(=O)[O-])c1C ZINC000562620818 469008961 /nfs/dbraw/zinc/00/89/61/469008961.db2.gz YMIZYFMFNVLJFR-AWEZNQCLSA-N -1 0 331.328 2.106 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000595972311 469102914 /nfs/dbraw/zinc/10/29/14/469102914.db2.gz AELXKQADOXBBMY-KGLIPLIRSA-N -1 0 344.371 2.424 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000595977299 469104946 /nfs/dbraw/zinc/10/49/46/469104946.db2.gz WSRRZPZCCQFQEV-NSHDSACASA-N -1 0 336.344 2.463 20 5 EEBDRM O=C([O-])C[C@@H]1COCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000593746617 469121885 /nfs/dbraw/zinc/12/18/85/469121885.db2.gz NOIHVHSZMFXWOR-LLVKDONJSA-N -1 0 348.277 2.289 20 5 EEBDRM Cn1cc([C@H]2N(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000588870100 469174215 /nfs/dbraw/zinc/17/42/15/469174215.db2.gz GAFLCZRBVKCGJH-CQSZACIVSA-N -1 0 330.344 2.257 20 5 EEBDRM Cc1ccc(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1 ZINC000604037690 469453117 /nfs/dbraw/zinc/45/31/17/469453117.db2.gz FOJGNXNEZHVLKZ-UHFFFAOYSA-N -1 0 336.369 2.396 20 5 EEBDRM CCN(CC)c1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000164241624 528307248 /nfs/dbraw/zinc/30/72/48/528307248.db2.gz NRNGAUONEOMEEL-UHFFFAOYSA-N -1 0 344.371 2.472 20 5 EEBDRM Cc1sc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC000738993010 575991322 /nfs/dbraw/zinc/99/13/22/575991322.db2.gz KDDODSPPCAFXGN-UHFFFAOYSA-N -1 0 339.281 2.296 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000733062368 577201494 /nfs/dbraw/zinc/20/14/94/577201494.db2.gz PWRMMOBKOVNQTH-UHFFFAOYSA-N -1 0 328.390 2.399 20 5 EEBDRM COCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000772063409 577249067 /nfs/dbraw/zinc/24/90/67/577249067.db2.gz JUMVDLVYBONRJC-UHFFFAOYSA-N -1 0 345.311 2.138 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)c(C)o1 ZINC000776565345 577462495 /nfs/dbraw/zinc/46/24/95/577462495.db2.gz AZXAFWZTGSXNFU-UHFFFAOYSA-N -1 0 342.304 2.062 20 5 EEBDRM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000776647648 577465321 /nfs/dbraw/zinc/46/53/21/577465321.db2.gz LFVZYKPHTYFOAJ-UHFFFAOYSA-N -1 0 342.354 2.180 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](O)c1cccc(F)c1 ZINC000777534556 577480778 /nfs/dbraw/zinc/48/07/78/577480778.db2.gz RJJADWJSQRYZRC-LKFCYVNXSA-N -1 0 334.303 2.291 20 5 EEBDRM Cc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)nc1 ZINC000766500644 577520528 /nfs/dbraw/zinc/52/05/28/577520528.db2.gz GXVHBIRFDJEJNN-UHFFFAOYSA-N -1 0 345.340 2.042 20 5 EEBDRM CCOc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C(N)=O)c1 ZINC000755393727 577824604 /nfs/dbraw/zinc/82/46/04/577824604.db2.gz RNFIXVPBTNDMJQ-UHFFFAOYSA-N -1 0 345.311 2.050 20 5 EEBDRM Cc1sc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000738990870 578033823 /nfs/dbraw/zinc/03/38/23/578033823.db2.gz RDGRUNPKIBIYAB-JTQLQIEISA-N -1 0 342.373 2.061 20 5 EEBDRM O=C([O-])c1ccc(OCCNc2ccc([N+](=O)[O-])c3nonc32)cc1 ZINC000740167254 578083629 /nfs/dbraw/zinc/08/36/29/578083629.db2.gz AALLKDBYJDYNCZ-UHFFFAOYSA-N -1 0 344.283 2.320 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2nc(CC(F)(F)F)no2)c1 ZINC000740185651 578084536 /nfs/dbraw/zinc/08/45/36/578084536.db2.gz CNCGNDFDIBOZGL-UHFFFAOYSA-N -1 0 347.205 2.360 20 5 EEBDRM O=C([O-])c1cccn2cc(COC(=O)c3csc([N+](=O)[O-])c3)nc12 ZINC000740298137 578089468 /nfs/dbraw/zinc/08/94/68/578089468.db2.gz WYASHJPEPUTARZ-UHFFFAOYSA-N -1 0 347.308 2.359 20 5 EEBDRM CC(C)Oc1ccc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1 ZINC000736494284 578207784 /nfs/dbraw/zinc/20/77/84/578207784.db2.gz LFUWDHMRMXTKLV-UHFFFAOYSA-N -1 0 332.312 2.290 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NC[C@@H]2CC2(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657984 578216861 /nfs/dbraw/zinc/21/68/61/578216861.db2.gz XFUNZGNENYSNFX-ONGXEEELSA-N -1 0 335.360 2.256 20 5 EEBDRM CCN(C(=O)Cc1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC000737060671 578235671 /nfs/dbraw/zinc/23/56/71/578235671.db2.gz YLOHHFJYPLSJPZ-UHFFFAOYSA-N -1 0 335.341 2.345 20 5 EEBDRM CC(=O)Nc1ccc(CCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000737545289 578263406 /nfs/dbraw/zinc/26/34/06/578263406.db2.gz KQMLNXCUKPWRMN-UHFFFAOYSA-N -1 0 344.327 2.301 20 5 EEBDRM COc1ccc(CC(=O)Oc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737985459 578275456 /nfs/dbraw/zinc/27/54/56/578275456.db2.gz XRJPOOPQFBRNBP-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM CN(CC(=O)Nc1sccc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000830683788 600970693 /nfs/dbraw/zinc/97/06/93/600970693.db2.gz IWHDCOKUEXQMKP-UHFFFAOYSA-N -1 0 335.341 2.429 20 5 EEBDRM C[C@H](CC[S@@](C)=O)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000827421862 600998949 /nfs/dbraw/zinc/99/89/49/600998949.db2.gz CAXPWHWZNULERF-VUPQUSIZSA-N -1 0 326.374 2.262 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000833353894 601348164 /nfs/dbraw/zinc/34/81/64/601348164.db2.gz XJJJFQQRWFHQJI-UHFFFAOYSA-N -1 0 343.251 2.186 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)CCSCC(=O)[O-])cc1[N+](=O)[O-] ZINC000832922750 601625375 /nfs/dbraw/zinc/62/53/75/601625375.db2.gz ZLPKODHHLWIQQF-SNVBAGLBSA-N -1 0 326.374 2.288 20 5 EEBDRM CCC(=O)N1CC[C@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000828563396 604272425 /nfs/dbraw/zinc/27/24/25/604272425.db2.gz YWPKHYYMRYSHMD-QMMMGPOBSA-N -1 0 341.751 2.369 20 5 EEBDRM O=C([O-])CCN(C[C@H]1CCCO1)c1ncc([N+](=O)[O-])cc1Cl ZINC000833232918 604351946 /nfs/dbraw/zinc/35/19/46/604351946.db2.gz RRNXNZWGSNSRDB-SNVBAGLBSA-N -1 0 329.740 2.103 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000827006004 604392769 /nfs/dbraw/zinc/39/27/69/604392769.db2.gz INYUVNFJLALBIL-GFCCVEGCSA-N -1 0 344.751 2.198 20 5 EEBDRM O=C([O-])N1CC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000831851784 604420185 /nfs/dbraw/zinc/42/01/85/604420185.db2.gz CFUIRSAWPAKLKE-UHFFFAOYSA-N -1 0 334.357 2.170 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000827007217 604432450 /nfs/dbraw/zinc/43/24/50/604432450.db2.gz VZUZWZQPXBRSDR-CYBMUJFWSA-N -1 0 349.343 2.026 20 5 EEBDRM Cc1cccc(OS(=O)(=O)c2csc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000833753329 604530017 /nfs/dbraw/zinc/53/00/17/604530017.db2.gz LKSIQTGQJOMOGJ-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000165133733 604558923 /nfs/dbraw/zinc/55/89/23/604558923.db2.gz GQQUGUHYRAXRSQ-UHFFFAOYSA-N -1 0 343.133 2.047 20 5 EEBDRM COc1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000832407618 604891467 /nfs/dbraw/zinc/89/14/67/604891467.db2.gz IEBQHORHXBDVSZ-UHFFFAOYSA-N -1 0 348.315 2.400 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000833553238 605082740 /nfs/dbraw/zinc/08/27/40/605082740.db2.gz AACGDSAXOKGHEJ-AWEZNQCLSA-N -1 0 344.270 2.133 20 5 EEBDRM CC/C=C(/C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000254989564 675170187 /nfs/dbraw/zinc/17/01/87/675170187.db2.gz GZTRJKOIBLWUMX-YWEYNIOJSA-N -1 0 332.765 2.409 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000134666307 675277403 /nfs/dbraw/zinc/27/74/03/675277403.db2.gz MUNGBZZXCXTKQT-UHFFFAOYSA-N -1 0 344.295 2.166 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000263359797 678183897 /nfs/dbraw/zinc/18/38/97/678183897.db2.gz RRSBVFNIIFSLQK-RYUDHWBXSA-N -1 0 334.372 2.442 20 5 EEBDRM O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119216898 683534035 /nfs/dbraw/zinc/53/40/35/683534035.db2.gz GNTXAMBPEJRGGL-CQSZACIVSA-N -1 0 336.731 2.417 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000263194628 689460453 /nfs/dbraw/zinc/46/04/53/689460453.db2.gz JAJCFFPKBDANJF-KRWDZBQOSA-N -1 0 347.371 2.496 20 5 EEBDRM CC(C)(CF)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001324108082 1198432874 /nfs/dbraw/zinc/43/28/74/1198432874.db2.gz WVOHQPJRJUPSDF-UHFFFAOYSA-N -1 0 328.724 2.414 20 5 EEBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000877775728 1200091843 /nfs/dbraw/zinc/09/18/43/1200091843.db2.gz OMBOZXLVQLADQO-ZDUSSCGKSA-N -1 0 349.284 2.377 20 5 EEBDRM C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089530814 1212002074 /nfs/dbraw/zinc/00/20/74/1212002074.db2.gz QXNSWSBHPRBYJD-UHFFFAOYSA-N -1 0 339.307 2.366 20 5 EEBDRM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000796339858 1213864096 /nfs/dbraw/zinc/86/40/96/1213864096.db2.gz ZPYNBSKCTCDEPK-UHFFFAOYSA-N -1 0 347.283 2.017 20 5 EEBDRM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000800382733 1234091114 /nfs/dbraw/zinc/09/11/14/1234091114.db2.gz HZOOGHHDEPOSQH-NSHDSACASA-N -1 0 328.390 2.367 20 5 EEBDRM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000800383538 1234092529 /nfs/dbraw/zinc/09/25/29/1234092529.db2.gz UWBYWFZCPWCGKT-JTQLQIEISA-N -1 0 344.389 2.235 20 5 EEBDRM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000800442052 1234135440 /nfs/dbraw/zinc/13/54/40/1234135440.db2.gz IXHZTWIJXLUPAQ-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000850737461 1277320348 /nfs/dbraw/zinc/32/03/48/1277320348.db2.gz ZOSQAXDRTAOQTC-CQSZACIVSA-N -1 0 346.380 2.459 20 5 EEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000115924685 1294038877 /nfs/dbraw/zinc/03/88/77/1294038877.db2.gz HHFOBRPOQOWYHD-UHFFFAOYSA-N -1 0 334.353 2.330 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1[n-]c(=O)nc2ccc(F)cc21 ZINC001226409815 1301397053 /nfs/dbraw/zinc/39/70/53/1301397053.db2.gz VZYCNPKEBJSELJ-QMMMGPOBSA-N -1 0 347.306 2.355 20 5 EEBDRM C[C@@H](Oc1[n-]c(=O)nnc1Br)c1cccc([N+](=O)[O-])c1 ZINC001227067404 1301671460 /nfs/dbraw/zinc/67/14/60/1301671460.db2.gz XOWBKJAHHQECLK-ZCFIWIBFSA-N -1 0 341.121 2.388 20 5 EEBDRM CO[C@H](C)CO[C@H](C)COc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095558 1301685411 /nfs/dbraw/zinc/68/54/11/1301685411.db2.gz RSEQZMDUERRDOY-NXEZZACHSA-N -1 0 337.332 2.062 20 5 EEBDRM CSc1nc(O[C@H]2COCc3ccccc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624907 1301913705 /nfs/dbraw/zinc/91/37/05/1301913705.db2.gz ILEPFYLQJHZLLI-JTQLQIEISA-N -1 0 335.341 2.463 20 5 EEBDRM CCOC(=O)N1CCC(Oc2cc(O)cc([O-])c2[N+](=O)[O-])CC1 ZINC001228970712 1302551641 /nfs/dbraw/zinc/55/16/41/1302551641.db2.gz KRCQUCCMXVMHDH-UHFFFAOYSA-N -1 0 326.305 2.006 20 5 EEBDRM CCCCOC[C@H](C)OC[C@@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229377299 1302753969 /nfs/dbraw/zinc/75/39/69/1302753969.db2.gz ATYNBIKVASDOFJ-WDEREUQCSA-N -1 0 343.380 2.388 20 5 EEBDRM COC[C@H](C)OC[C@H](C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231223301 1303688986 /nfs/dbraw/zinc/68/89/86/1303688986.db2.gz FPJVWTWVBCOUCV-IUCAKERBSA-N -1 0 330.293 2.027 20 5 EEBDRM CCOC(=O)N1CCC[C@H](Oc2[n-]c(C)cc(=O)c2[N+](=O)[O-])C1 ZINC001231261281 1303709272 /nfs/dbraw/zinc/70/92/72/1303709272.db2.gz ZXAJNGOMTXSMLP-JTQLQIEISA-N -1 0 325.321 2.004 20 5 EEBDRM C[C@@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000781845595 1303878580 /nfs/dbraw/zinc/87/85/80/1303878580.db2.gz UYVRPINZKYVDJP-URLRMUCDSA-N -1 0 342.348 2.285 20 5 EEBDRM COc1ccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001248488791 1310909956 /nfs/dbraw/zinc/90/99/56/1310909956.db2.gz QGSUYHGDUOMERP-UHFFFAOYSA-N -1 0 345.311 2.161 20 5 EEBDRM Cc1c(C)c(N2CCC(NC(=O)C(F)(F)F)CC2)ncc1[N+](=O)[O-] ZINC001166894399 1321811324 /nfs/dbraw/zinc/81/13/24/1321811324.db2.gz QHPJYDKRSDDMAD-UHFFFAOYSA-N -1 0 346.309 2.254 20 5 EEBDRM CC(C)[C@@]1(CO)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001261499462 1322115317 /nfs/dbraw/zinc/11/53/17/1322115317.db2.gz LIYXXAXERKQZFN-HNNXBMFYSA-N -1 0 342.779 2.434 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001608491699 1351703400 /nfs/dbraw/zinc/70/34/00/1351703400.db2.gz BBEKDRLBCNADQE-TXEJJXNPSA-N -1 0 333.344 2.132 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001608493844 1351703813 /nfs/dbraw/zinc/70/38/13/1351703813.db2.gz OGNHVJIDUFQZPB-FCMYFTRRSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])[C@@H]1COCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001601852948 1350380575 /nfs/dbraw/zinc/38/05/75/1350380575.db2.gz JKFCYFLFECFNLM-AWEZNQCLSA-N -1 0 332.312 2.140 20 5 EEBDRM O=C([O-])c1csc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c1 ZINC001602562060 1350547162 /nfs/dbraw/zinc/54/71/62/1350547162.db2.gz HHGUUFFQGDTAKI-UHFFFAOYSA-N -1 0 334.353 2.443 20 5 EEBDRM O=C([O-])c1occc1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001602590592 1350552773 /nfs/dbraw/zinc/55/27/73/1350552773.db2.gz ADCYNCKHMCTKBR-UHFFFAOYSA-N -1 0 340.238 2.294 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1Cl ZINC001607708502 1351543691 /nfs/dbraw/zinc/54/36/91/1351543691.db2.gz CNGYMVADBUSEEQ-DTORHVGOSA-N -1 0 326.736 2.492 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001608575588 1351719492 /nfs/dbraw/zinc/71/94/92/1351719492.db2.gz LLEKFFZPHQATME-GFCCVEGCSA-N -1 0 347.140 2.356 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCCC1 ZINC001608670918 1351738232 /nfs/dbraw/zinc/73/82/32/1351738232.db2.gz ZWVRCPWTQNAIDJ-ZDUSSCGKSA-N -1 0 338.335 2.426 20 5 EEBDRM O=C([O-])CC1CC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001608693110 1351742997 /nfs/dbraw/zinc/74/29/97/1351742997.db2.gz SHJHCYLNMGNNEV-UHFFFAOYSA-N -1 0 349.387 2.092 20 5 EEBDRM O=C([O-])Cc1occc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001608793747 1351765616 /nfs/dbraw/zinc/76/56/16/1351765616.db2.gz NLTFMUIMTMQXCB-UHFFFAOYSA-N -1 0 330.296 2.408 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCc1ccccn1 ZINC001608863466 1351780956 /nfs/dbraw/zinc/78/09/56/1351780956.db2.gz FMJHQDRLUXJOJH-UHFFFAOYSA-N -1 0 332.272 2.251 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Cn2cnc3ccc(F)cc3c2=O)c1 ZINC001608914860 1351793589 /nfs/dbraw/zinc/79/35/89/1351793589.db2.gz NKOQUSCKAOCEAE-UHFFFAOYSA-N -1 0 343.270 2.190 20 5 EEBDRM O=C([O-])C1CCC(OC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC001609015405 1351814503 /nfs/dbraw/zinc/81/45/03/1351814503.db2.gz HZQWGQLAAHSJBD-UHFFFAOYSA-N -1 0 337.284 2.124 20 5 EEBDRM O=C(CCCC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001324804562 1333763747 /nfs/dbraw/zinc/76/37/47/1333763747.db2.gz YMRZHHKVPKTRHE-UHFFFAOYSA-N -1 0 340.279 2.132 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C)(C(=O)[O-])CC1 ZINC001326501714 1334105987 /nfs/dbraw/zinc/10/59/87/1334105987.db2.gz QYMZZTISUGMUER-UHFFFAOYSA-N -1 0 335.360 2.028 20 5 EEBDRM C[C@H](CCn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O)OCc1ccccc1 ZINC001609740701 1352073890 /nfs/dbraw/zinc/07/38/90/1352073890.db2.gz XLKGTNRREXCLGH-GFCCVEGCSA-N -1 0 346.339 2.450 20 5 EEBDRM CC[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CCO1 ZINC001609946787 1352126685 /nfs/dbraw/zinc/12/66/85/1352126685.db2.gz MVHPTYXSBULUDK-LLVKDONJSA-N -1 0 337.332 2.244 20 5 EEBDRM Cc1c(NC(=O)N[C@]2(C)CCCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610426595 1352220912 /nfs/dbraw/zinc/22/09/12/1352220912.db2.gz VSWYOIIVELXGQT-OAHLLOKOSA-N -1 0 337.332 2.292 20 5 EEBDRM Cc1c(NC(=O)N2CCC(=O)[C@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610422001 1352219846 /nfs/dbraw/zinc/21/98/46/1352219846.db2.gz QWDZQJSANGZLSX-MRVPVSSYSA-N -1 0 335.316 2.044 20 5 EEBDRM Cn1c(C(=O)OC[C@](C)(C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001610597943 1352251673 /nfs/dbraw/zinc/25/16/73/1352251673.db2.gz SJGOGUMQGPAAHD-INIZCTEOSA-N -1 0 332.312 2.133 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC001610693959 1352260997 /nfs/dbraw/zinc/26/09/97/1352260997.db2.gz GNIFHRGXDQNSCV-UHFFFAOYSA-N -1 0 330.300 2.052 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC001610803540 1352277712 /nfs/dbraw/zinc/27/77/12/1352277712.db2.gz BUKUABWDJTWTRD-WDNDVIMCSA-N -1 0 329.312 2.012 20 5 EEBDRM O=C([O-])CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC001610779752 1352273304 /nfs/dbraw/zinc/27/33/04/1352273304.db2.gz DMLAYDFDHHWRSB-UHFFFAOYSA-N -1 0 332.234 2.303 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCCC[C@@H]2CCO)cc([N+](=O)[O-])c1 ZINC001610808556 1352278185 /nfs/dbraw/zinc/27/81/85/1352278185.db2.gz BHIKXJKHIQENQQ-CYBMUJFWSA-N -1 0 336.344 2.060 20 5 EEBDRM O=C([O-])c1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c[nH]1 ZINC001610809221 1352278632 /nfs/dbraw/zinc/27/86/32/1352278632.db2.gz GSUYMOUGUATSEG-UHFFFAOYSA-N -1 0 329.312 2.426 20 5 EEBDRM O=C([O-])c1cccc(OC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC001610849591 1352285006 /nfs/dbraw/zinc/28/50/06/1352285006.db2.gz SHAQWLNXNAZQMO-ZDUSSCGKSA-N -1 0 333.296 2.112 20 5 EEBDRM Cc1cc(NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC001600277863 1350009660 /nfs/dbraw/zinc/00/96/60/1350009660.db2.gz FTMKHWSSONFKKU-LBPRGKRZSA-N -1 0 341.339 2.070 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccnc(C(=O)[O-])n2)cc1Cl ZINC001600303072 1350014959 /nfs/dbraw/zinc/01/49/59/1350014959.db2.gz VHMOHUBXZYDMCQ-UHFFFAOYSA-N -1 0 336.691 2.297 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1cncc(C(=O)[O-])c1 ZINC001600305051 1350015488 /nfs/dbraw/zinc/01/54/88/1350015488.db2.gz FVVZCSLPZKTEAW-UHFFFAOYSA-N -1 0 346.295 2.232 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)n1 ZINC001600303924 1350015821 /nfs/dbraw/zinc/01/58/21/1350015821.db2.gz ADDRHOYWJJHBTE-SNVBAGLBSA-N -1 0 335.341 2.306 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC001600305422 1350016188 /nfs/dbraw/zinc/01/61/88/1350016188.db2.gz XPAGFKHPAGSVOI-QMTHXVAHSA-N -1 0 335.360 2.027 20 5 EEBDRM Cc1ccc(C(=O)[O-])c2c1N(CCn1ccc([N+](=O)[O-])n1)CCC2 ZINC001600351008 1350026328 /nfs/dbraw/zinc/02/63/28/1350026328.db2.gz WLKJNSGKUFKBJW-UHFFFAOYSA-N -1 0 330.344 2.251 20 5 EEBDRM Cc1nc(N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001600711423 1350119571 /nfs/dbraw/zinc/11/95/71/1350119571.db2.gz FRZRYOHQACJXDO-DTWKUNHWSA-N -1 0 333.266 2.388 20 5 EEBDRM Cc1nn(C)c(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1C(=O)[O-] ZINC001600773417 1350133000 /nfs/dbraw/zinc/13/30/00/1350133000.db2.gz SJEJLMXUSHXVQT-RYUDHWBXSA-N -1 0 344.327 2.077 20 5 EEBDRM Cc1nnc(CN(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)o1 ZINC001600794109 1350138963 /nfs/dbraw/zinc/13/89/63/1350138963.db2.gz LAKNNUBJUNJIQV-UHFFFAOYSA-N -1 0 326.696 2.274 20 5 EEBDRM Cc1sc(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)cc1[N+](=O)[O-] ZINC001600865435 1350155340 /nfs/dbraw/zinc/15/53/40/1350155340.db2.gz FEGABGVZPOYYBU-SNVBAGLBSA-N -1 0 335.341 2.306 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001600970890 1350179680 /nfs/dbraw/zinc/17/96/80/1350179680.db2.gz RTDHPZIDUPQWBB-UHFFFAOYSA-N -1 0 325.227 2.162 20 5 EEBDRM O=C([O-])[C@H](Cc1ccccc1)OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001601366679 1350267872 /nfs/dbraw/zinc/26/78/72/1350267872.db2.gz SRGAQTIRGAPKPA-HNNXBMFYSA-N -1 0 329.308 2.376 20 5 EEBDRM O=C([O-])C1(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCSCC1 ZINC001601430771 1350282217 /nfs/dbraw/zinc/28/22/17/1350282217.db2.gz BVOYDHPLVNZWTL-UHFFFAOYSA-N -1 0 349.368 2.156 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1F ZINC001601815142 1350371295 /nfs/dbraw/zinc/37/12/95/1350371295.db2.gz ORRLFBAKKNRXOP-CABZTGNLSA-N -1 0 347.320 2.086 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC001601859500 1350382830 /nfs/dbraw/zinc/38/28/30/1350382830.db2.gz MMXSKCBYLNVBOY-SNVBAGLBSA-N -1 0 333.369 2.397 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001601862815 1350384173 /nfs/dbraw/zinc/38/41/73/1350384173.db2.gz RFPYURURMIXTRI-BVIHXZOGSA-N -1 0 345.355 2.119 20 5 EEBDRM O=C([O-])/C=C/c1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)o1 ZINC001601877201 1350388049 /nfs/dbraw/zinc/38/80/49/1350388049.db2.gz WGOUEQXNLSRPIU-FNORWQNLSA-N -1 0 330.296 2.258 20 5 EEBDRM O=C([O-])CC1(COC(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC001601919687 1350397712 /nfs/dbraw/zinc/39/77/12/1350397712.db2.gz APPFZEYDKFTKIN-UHFFFAOYSA-N -1 0 325.342 2.485 20 5 EEBDRM O=C([O-])CCC(=O)COc1cccc(Br)c1[N+](=O)[O-] ZINC001601970141 1350408002 /nfs/dbraw/zinc/40/80/02/1350408002.db2.gz KNASILSTJIULMB-UHFFFAOYSA-N -1 0 332.106 2.170 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnoc1 ZINC001602030920 1350422060 /nfs/dbraw/zinc/42/20/60/1350422060.db2.gz GAYCQOYCGVHNKN-UHFFFAOYSA-N -1 0 337.313 2.402 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N2CCCCCCC2)c([N+](=O)[O-])c1 ZINC001602073053 1350430876 /nfs/dbraw/zinc/43/08/76/1350430876.db2.gz PTHADWXCYGIZDM-UHFFFAOYSA-N -1 0 335.360 2.180 20 5 EEBDRM O=C([O-])COc1cccc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001602092140 1350435095 /nfs/dbraw/zinc/43/50/95/1350435095.db2.gz VQDFMSZBBDRADW-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC001602123213 1350444619 /nfs/dbraw/zinc/44/46/19/1350444619.db2.gz CWOMKYCORQRNRD-UHFFFAOYSA-N -1 0 348.286 2.379 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001602173426 1350457353 /nfs/dbraw/zinc/45/73/53/1350457353.db2.gz PIUXWVNZABISHU-MNOVXSKESA-N -1 0 328.271 2.056 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)on1 ZINC001602249027 1350476591 /nfs/dbraw/zinc/47/65/91/1350476591.db2.gz JAFWDCUJLGCODK-UHFFFAOYSA-N -1 0 338.297 2.230 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)ccc1F ZINC001602282946 1350485429 /nfs/dbraw/zinc/48/54/29/1350485429.db2.gz DYKRRPCSHYNVFQ-UHFFFAOYSA-N -1 0 328.643 2.061 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]2COC[C@@H]2C1 ZINC001602298928 1350488180 /nfs/dbraw/zinc/48/81/80/1350488180.db2.gz JURKIOUOCRJVGT-BDAKNGLRSA-N -1 0 326.736 2.419 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)nc1 ZINC001602342295 1350499168 /nfs/dbraw/zinc/49/91/68/1350499168.db2.gz YIYBHFXRNOMOHK-UHFFFAOYSA-N -1 0 341.279 2.364 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC001602386988 1350508341 /nfs/dbraw/zinc/50/83/41/1350508341.db2.gz SSQAJXZMVWMSPX-UHFFFAOYSA-N -1 0 331.284 2.434 20 5 EEBDRM O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001602665614 1350569269 /nfs/dbraw/zinc/56/92/69/1350569269.db2.gz QPYUUVHUNIXAMJ-UHFFFAOYSA-N -1 0 344.279 2.123 20 5 EEBDRM C/C(=C/C(=O)N1CCSC[C@H]1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001602951463 1350609835 /nfs/dbraw/zinc/60/98/35/1350609835.db2.gz NPWNEZUZXWGERL-KJJQSCHISA-N -1 0 336.369 2.027 20 5 EEBDRM CC(C)CCn1cc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)nn1 ZINC001603799452 1350770363 /nfs/dbraw/zinc/77/03/63/1350770363.db2.gz OQTVLWMHJKRRAI-UHFFFAOYSA-N -1 0 348.315 2.150 20 5 EEBDRM CC(C)c1ccc(C(=O)OCC(=O)C2(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001603996297 1350824329 /nfs/dbraw/zinc/82/43/29/1350824329.db2.gz AXWDUGORBTZAQB-UHFFFAOYSA-N -1 0 335.312 2.309 20 5 EEBDRM CCC[C@@H](CNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])OCC ZINC001604143678 1350872284 /nfs/dbraw/zinc/87/22/84/1350872284.db2.gz JTCDXVHRYUGQLR-QMMMGPOBSA-N -1 0 326.382 2.454 20 5 EEBDRM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccn1 ZINC001604346730 1350920857 /nfs/dbraw/zinc/92/08/57/1350920857.db2.gz OGZOFDWCROVTFX-NSHDSACASA-N -1 0 331.328 2.304 20 5 EEBDRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC001604741505 1350995234 /nfs/dbraw/zinc/99/52/34/1350995234.db2.gz KBCVWNBDDPMCEP-KAOXEZKKSA-N -1 0 332.356 2.410 20 5 EEBDRM CC[C@@H](OC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001605115971 1351080682 /nfs/dbraw/zinc/08/06/82/1351080682.db2.gz JPCHMYYPJQOXOD-RDDDGLTNSA-N -1 0 329.280 2.399 20 5 EEBDRM CCOc1cc(COC(=O)c2ccc(C(=O)[O-])nc2)ccc1[N+](=O)[O-] ZINC001605672477 1351214593 /nfs/dbraw/zinc/21/45/93/1351214593.db2.gz ZVSOWFKAXFOHFA-UHFFFAOYSA-N -1 0 346.295 2.444 20 5 EEBDRM CCc1nn(C)c(NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1[N+](=O)[O-] ZINC001605865844 1351241465 /nfs/dbraw/zinc/24/14/65/1351241465.db2.gz VPVKSBMTFFDSEK-UHFFFAOYSA-N -1 0 345.359 2.473 20 5 EEBDRM O=[N+]([O-])c1ccc(COc2ccc(F)nc2-c2nnn[n-]2)cc1F ZINC001607082186 1351409883 /nfs/dbraw/zinc/40/98/83/1351409883.db2.gz QLYGPXLKDONOGB-UHFFFAOYSA-N -1 0 334.242 2.027 20 5 EEBDRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001607208882 1351449368 /nfs/dbraw/zinc/44/93/68/1351449368.db2.gz NFAFUKQZTBGPLA-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COc1ccc([C@H]2CCCN2c2nc(C(=O)[O-])ccc2[N+](=O)[O-])nc1 ZINC001607237679 1351456447 /nfs/dbraw/zinc/45/64/47/1351456447.db2.gz DPUQGROBCXPFGX-CYBMUJFWSA-N -1 0 344.327 2.433 20 5 EEBDRM COc1ccc(Cn2nc(C)c(CCC(=O)[O-])c2C)cc1[N+](=O)[O-] ZINC001607264326 1351461313 /nfs/dbraw/zinc/46/13/13/1351461313.db2.gz AGYVFINZOXRKQB-UHFFFAOYSA-N -1 0 333.344 2.482 20 5 EEBDRM CSCC[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC001607399156 1351487597 /nfs/dbraw/zinc/48/75/97/1351487597.db2.gz ZCAGVHMOWSEVDO-GFCCVEGCSA-N -1 0 338.341 2.439 20 5 EEBDRM Cc1c(NC(=O)N2CC3(C2)CCOCC3)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607541935 1351513187 /nfs/dbraw/zinc/51/31/87/1351513187.db2.gz CDDVKSGDAUNQPP-UHFFFAOYSA-N -1 0 349.343 2.246 20 5 EEBDRM Cc1c(NC(=O)N2CC[C@H]3COC[C@H]3C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607545057 1351513630 /nfs/dbraw/zinc/51/36/30/1351513630.db2.gz QZUGVHCXCQRTGN-CMPLNLGQSA-N -1 0 349.343 2.102 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N(C)C(C)(C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001607555333 1351515144 /nfs/dbraw/zinc/51/51/44/1351515144.db2.gz SNXFJQJCPMJTRK-UHFFFAOYSA-N -1 0 339.304 2.137 20 5 EEBDRM Cn1c(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])nnc1C1CCC1 ZINC001608089614 1351622992 /nfs/dbraw/zinc/62/29/92/1351622992.db2.gz HZDCYICTZHMQLT-UHFFFAOYSA-N -1 0 332.316 2.268 20 5 EEBDRM Cn1c(Sc2ncc(C(=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccco1 ZINC001608091675 1351623656 /nfs/dbraw/zinc/62/36/56/1351623656.db2.gz FZXNDFDHXFSFMT-UHFFFAOYSA-N -1 0 347.312 2.228 20 5 EEBDRM O=C([O-])C1(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCSCC1 ZINC001608407236 1351688781 /nfs/dbraw/zinc/68/87/81/1351688781.db2.gz XRVFLAIPWPSPJO-UHFFFAOYSA-N -1 0 344.776 2.328 20 5 EEBDRM COc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])CCO2 ZINC000436970211 1409861900 /nfs/dbraw/zinc/86/19/00/1409861900.db2.gz CJOPCTWFAPSBLU-UHFFFAOYSA-N -1 0 330.296 2.348 20 5 EEBDRM O=C(Nc1ccc(-n2ccnc2)nc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780351565 760966298 /nfs/dbraw/zinc/96/62/98/760966298.db2.gz POIHSPFKADWODI-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CCOc1ncccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000077957985 780628640 /nfs/dbraw/zinc/62/86/40/780628640.db2.gz OCAUCJNQOZHOKP-UHFFFAOYSA-N -1 0 341.320 2.328 20 5 EEBDRM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)[N-]OCCC1CC1 ZINC000817372483 784721977 /nfs/dbraw/zinc/72/19/77/784721977.db2.gz LDLMMYTXOKSWDA-UHFFFAOYSA-N -1 0 331.328 2.370 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@@H]2Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000844211004 788928562 /nfs/dbraw/zinc/92/85/62/788928562.db2.gz DOOOLWGOAHTOLV-NSHDSACASA-N -1 0 329.316 2.276 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](O)c2ccccc2C)n1 ZINC000844211565 788930044 /nfs/dbraw/zinc/93/00/44/788930044.db2.gz RMCMPUVOKCTZBJ-CYBMUJFWSA-N -1 0 331.328 2.450 20 5 EEBDRM CC(C)(C)[C@@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1O ZINC000844213050 788931405 /nfs/dbraw/zinc/93/14/05/788931405.db2.gz FVEYBESJDCXVSN-IUODEOHRSA-N -1 0 336.388 2.455 20 5 EEBDRM Cc1ccc(N2CCN(c3ccc(C(=O)[O-])cn3)CC2)c([N+](=O)[O-])c1 ZINC000844214275 788933081 /nfs/dbraw/zinc/93/30/81/788933081.db2.gz XHSFKYVAGDAUOU-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000174728886 794016452 /nfs/dbraw/zinc/01/64/52/794016452.db2.gz HBGKILVKGRHIJQ-UHFFFAOYSA-N -1 0 340.332 2.335 20 5 EEBDRM CNC(=O)Cc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001176676337 798524094 /nfs/dbraw/zinc/52/40/94/798524094.db2.gz CHKJOJRPTKBEKD-UHFFFAOYSA-N -1 0 329.312 2.325 20 5 EEBDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)C2(C)CC2)cc1[N+](=O)[O-] ZINC000806024973 811723342 /nfs/dbraw/zinc/72/33/42/811723342.db2.gz BSOUTHUIWKODQI-UHFFFAOYSA-N -1 0 326.374 2.330 20 5 EEBDRM CC[C@@](NC(=O)c1cc([N+](=O)[O-])cnc1C)(C(=O)[O-])c1ccccc1 ZINC000431446507 939151693 /nfs/dbraw/zinc/15/16/93/939151693.db2.gz RAIQXZZBYGBPAI-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC1 ZINC001602814601 971609245 /nfs/dbraw/zinc/60/92/45/971609245.db2.gz BKECZODFXBFCBO-RXMQYKEDSA-N -1 0 345.714 2.047 20 5 EEBDRM O=C([O-])[C@H](Cc1ccccc1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC001595192298 952289010 /nfs/dbraw/zinc/28/90/10/952289010.db2.gz GPLWPDMQSYEAAJ-LBPRGKRZSA-N -1 0 326.312 2.350 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)[O-] ZINC001593613735 953479157 /nfs/dbraw/zinc/47/91/57/953479157.db2.gz YJUKAYIPOZXXFZ-XPTSAGLGSA-N -1 0 346.343 2.214 20 5 EEBDRM C[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC001589366218 954197965 /nfs/dbraw/zinc/19/79/65/954197965.db2.gz KOKLMWMCBHMRRY-FZMZJTMJSA-N -1 0 334.372 2.442 20 5 EEBDRM C[C@@](NCC(=O)Nc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589122159 956131939 /nfs/dbraw/zinc/13/19/39/956131939.db2.gz FOIJQAXIPCZMOV-KRWDZBQOSA-N -1 0 343.339 2.123 20 5 EEBDRM Cc1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c(N)c1[N+](=O)[O-] ZINC001594373466 958566243 /nfs/dbraw/zinc/56/62/43/958566243.db2.gz DJRSMQYDHUVJFV-HYXAFXHYSA-N -1 0 331.284 2.429 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001594381333 958626242 /nfs/dbraw/zinc/62/62/42/958626242.db2.gz RHNGLHMLBAZEAF-CQSZACIVSA-N -1 0 344.327 2.116 20 5 EEBDRM Cc1cccc([C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594398799 958813344 /nfs/dbraw/zinc/81/33/44/958813344.db2.gz FLAHDYAHGATQEX-MRXNPFEDSA-N -1 0 343.339 2.257 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC001588619882 969889488 /nfs/dbraw/zinc/88/94/88/969889488.db2.gz FSGLLCULYJFWCZ-UHFFFAOYSA-N -1 0 330.304 2.231 20 5 EEBDRM CCOc1cc(NC(=O)N2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC001603859977 974359208 /nfs/dbraw/zinc/35/92/08/974359208.db2.gz ACRZSXKVYQFELM-UHFFFAOYSA-N -1 0 337.332 2.322 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001603934489 974421831 /nfs/dbraw/zinc/42/18/31/974421831.db2.gz JYNQHOHMCSECKE-CPCISQLKSA-N -1 0 346.286 2.425 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001592290092 977610462 /nfs/dbraw/zinc/61/04/62/977610462.db2.gz DAMPMZVEBZUELN-QGZVFWFLSA-N -1 0 343.339 2.039 20 5 EEBDRM CCC(CC)(NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000828838583 978988922 /nfs/dbraw/zinc/98/89/22/978988922.db2.gz PPNXAPOVFOZINI-UHFFFAOYSA-N -1 0 339.304 2.185 20 5 EEBDRM O=C([O-])C1=CC[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000863479973 979672172 /nfs/dbraw/zinc/67/21/72/979672172.db2.gz GDLWHBNKIGKODB-AWEZNQCLSA-N -1 0 347.371 2.012 20 5 EEBDRM C[C@H](Cc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC001592878154 979748671 /nfs/dbraw/zinc/74/86/71/979748671.db2.gz VPRFYGVXDSZLHW-SECBINFHSA-N -1 0 345.311 2.211 20 5 EEBDRM CCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(C)(C)C(=O)[O-] ZINC001596164503 983527230 /nfs/dbraw/zinc/52/72/30/983527230.db2.gz RARBYHJPEOKSQF-UHFFFAOYSA-N -1 0 329.740 2.156 20 5 EEBDRM CCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C[C@@H]1C ZINC001596441846 984130894 /nfs/dbraw/zinc/13/08/94/984130894.db2.gz CUALYLCDWUQJDS-VIFPVBQESA-N -1 0 327.768 2.477 20 5 EEBDRM Cc1[nH]c(C(=O)OCCOc2ccccc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC001599960717 985776728 /nfs/dbraw/zinc/77/67/28/985776728.db2.gz WFYBCFLOKZDGNN-UHFFFAOYSA-N -1 0 348.311 2.474 20 5 EEBDRM Cc1[nH]nc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])c1[N+](=O)[O-] ZINC001599967543 985935814 /nfs/dbraw/zinc/93/58/14/985935814.db2.gz SAQKXBKJRNFYHD-UHFFFAOYSA-N -1 0 348.315 2.364 20 5 EEBDRM CC(=O)c1ccc(NCc2c(C)nn(CC(=O)[O-])c2C)c([N+](=O)[O-])c1 ZINC001589289837 986022319 /nfs/dbraw/zinc/02/23/19/986022319.db2.gz CYPXSKLFIHDVNO-UHFFFAOYSA-N -1 0 346.343 2.307 20 5 EEBDRM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001589378266 986441803 /nfs/dbraw/zinc/44/18/03/986441803.db2.gz GQBMTHJAFPFKTJ-PIGZYNQJSA-N -1 0 343.339 2.210 20 5 EEBDRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC001594583411 986448297 /nfs/dbraw/zinc/44/82/97/986448297.db2.gz HHTGQJUGCIPAKL-XVKPBYJWSA-N -1 0 349.265 2.234 20 5 EEBDRM CC(C)(C)CCS(=O)(=O)Oc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001589780215 988149235 /nfs/dbraw/zinc/14/92/35/988149235.db2.gz SSVUQMHESWALDR-UHFFFAOYSA-N -1 0 331.346 2.438 20 5 EEBDRM CC(C)(C)S(=O)(=O)CCCOc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001590423073 989971453 /nfs/dbraw/zinc/97/14/53/989971453.db2.gz ZUZKODBFHSJFAM-UHFFFAOYSA-N -1 0 345.373 2.275 20 5 EEBDRM CC(C)[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC001591045377 991418026 /nfs/dbraw/zinc/41/80/26/991418026.db2.gz DFWNRHONMNTBCZ-ZDUSSCGKSA-N -1 0 333.300 2.047 20 5 EEBDRM CC(C)[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC001591045498 991420691 /nfs/dbraw/zinc/42/06/91/991420691.db2.gz ILNMNNCXDAOYAH-CYBMUJFWSA-N -1 0 333.300 2.047 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC001599621467 994089969 /nfs/dbraw/zinc/08/99/69/994089969.db2.gz LWYNFYPMCVFVAP-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM COC(=O)[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC001598702780 995245550 /nfs/dbraw/zinc/24/55/50/995245550.db2.gz AAOAYSPDKGFLJI-LBPRGKRZSA-N -1 0 338.360 2.469 20 5 EEBDRM COc1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001599351023 998094040 /nfs/dbraw/zinc/09/40/40/998094040.db2.gz MBLZPJWMBLYBNH-SECBINFHSA-N -1 0 340.307 2.212 20 5 EEBDRM COc1ccc(CNc2ccc(C(=O)[O-])c(OC)n2)cc1[N+](=O)[O-] ZINC001599573501 998405530 /nfs/dbraw/zinc/40/55/30/998405530.db2.gz AVSOMJFDSCSPRQ-UHFFFAOYSA-N -1 0 333.300 2.317 20 5 EEBDRM CO[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])[C@H]1CCOC1 ZINC001599055199 999224644 /nfs/dbraw/zinc/22/46/44/999224644.db2.gz IROFXAGUDXVYEP-QPUJVOFHSA-N -1 0 344.751 2.410 20 5 EEBDRM C[C@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CO ZINC001594432540 999609520 /nfs/dbraw/zinc/60/95/20/999609520.db2.gz UCMYDUKCGLVJLF-DTWKUNHWSA-N -1 0 328.752 2.401 20 5 EEBDRM CN(c1ccccc1F)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000067803643 215214572 /nfs/dbraw/zinc/21/45/72/215214572.db2.gz JETIMLCZCZOORX-UHFFFAOYSA-N -1 0 326.305 2.265 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427744330 241470654 /nfs/dbraw/zinc/47/06/54/241470654.db2.gz XCHSRPXLGZUWFS-UHFFFAOYSA-N -1 0 344.751 2.340 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCOc2c(F)cccc2C1 ZINC000447863979 242329044 /nfs/dbraw/zinc/32/90/44/242329044.db2.gz OSXLTBZCSZWARX-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1CN(C(=O)C2CCCCC2)C1 ZINC000456008142 244131524 /nfs/dbraw/zinc/13/15/24/244131524.db2.gz SRHABKZYHBIGJV-UHFFFAOYSA-N -1 0 347.371 2.278 20 5 EEBDRM O=C([O-])[C@H]1CC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000262913746 245247346 /nfs/dbraw/zinc/24/73/46/245247346.db2.gz KDNXBEKSCHDZCP-HAQNSBGRSA-N -1 0 335.360 2.014 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000263472887 245427652 /nfs/dbraw/zinc/42/76/52/245427652.db2.gz YJXLSBPAJJEVGW-SNVBAGLBSA-N -1 0 330.699 2.005 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(c1ncnc3sc([N+](=O)[O-])cc31)C2 ZINC000263543594 304169109 /nfs/dbraw/zinc/16/91/09/304169109.db2.gz FIQHSHNARUCUEB-RMLUDKJBSA-N -1 0 334.357 2.291 20 5 EEBDRM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000273397089 256293146 /nfs/dbraw/zinc/29/31/46/256293146.db2.gz FRYQFVQEMQPRQJ-QMMMGPOBSA-N -1 0 345.377 2.272 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCc2n[nH]cc2C1 ZINC000273438177 256296585 /nfs/dbraw/zinc/29/65/85/256296585.db2.gz GSGDSVCWYDKLHX-ZETCQYMHSA-N -1 0 336.735 2.421 20 5 EEBDRM COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273477544 256299715 /nfs/dbraw/zinc/29/97/15/256299715.db2.gz JZOHZXHENIAVAK-ZBEGNZNMSA-N -1 0 336.344 2.152 20 5 EEBDRM CCOC(=O)[C@H](CC)N(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000276140428 256405446 /nfs/dbraw/zinc/40/54/46/256405446.db2.gz AZHPEUPPZVOQRZ-LBPRGKRZSA-N -1 0 336.344 2.247 20 5 EEBDRM CCOC(=O)[C@H](CC)N(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000276235761 256414053 /nfs/dbraw/zinc/41/40/53/256414053.db2.gz ORQCXIOMGIYZFF-AWEZNQCLSA-N -1 0 336.344 2.247 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000262975138 152349327 /nfs/dbraw/zinc/34/93/27/152349327.db2.gz AZPRGPUYUHMMAJ-SECBINFHSA-N -1 0 325.321 2.178 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263008570 152356748 /nfs/dbraw/zinc/35/67/48/152356748.db2.gz HGNTXTWHKLOQEP-HNNXBMFYSA-N -1 0 337.332 2.322 20 5 EEBDRM COc1cc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC000263102566 152374443 /nfs/dbraw/zinc/37/44/43/152374443.db2.gz BBPHOIITHSPUCM-SKDRFNHKSA-N -1 0 336.344 2.095 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000184944098 160021543 /nfs/dbraw/zinc/02/15/43/160021543.db2.gz QNUBEVPTAMLVQF-AWEZNQCLSA-N -1 0 326.308 2.352 20 5 EEBDRM Cc1ccc(Cn2nccc2NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)o1 ZINC000188449478 160123340 /nfs/dbraw/zinc/12/33/40/160123340.db2.gz DJMPGIWWMDWIMG-UHFFFAOYSA-N -1 0 343.299 2.094 20 5 EEBDRM Cc1ccn2cc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)nc2c1 ZINC000342267105 161052024 /nfs/dbraw/zinc/05/20/24/161052024.db2.gz SEBLQYTTWWMLQO-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM O=C(N[C@H]1CCN(c2ccccc2F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000345237941 161284668 /nfs/dbraw/zinc/28/46/68/161284668.db2.gz WERNSCDFYYUFLK-LBPRGKRZSA-N -1 0 345.330 2.448 20 5 EEBDRM O=C([O-])COc1cccc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000345792357 161332786 /nfs/dbraw/zinc/33/27/86/161332786.db2.gz HFVBMUBOPQPHDZ-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159893622 225297157 /nfs/dbraw/zinc/29/71/57/225297157.db2.gz ZZGZPSKKPBINDV-AWEZNQCLSA-N -1 0 345.355 2.460 20 5 EEBDRM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272667607 269006794 /nfs/dbraw/zinc/00/67/94/269006794.db2.gz JNGGKPUHAGGUHP-UHFFFAOYSA-N -1 0 338.360 2.493 20 5 EEBDRM CC(C)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000271649860 274147091 /nfs/dbraw/zinc/14/70/91/274147091.db2.gz HVDHLNFKVNISPZ-GWCFXTLKSA-N -1 0 346.380 2.216 20 5 EEBDRM O=C([O-])CC[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000275289869 274235591 /nfs/dbraw/zinc/23/55/91/274235591.db2.gz LWXVVVNLBFCSFC-LLVKDONJSA-N -1 0 342.373 2.003 20 5 EEBDRM CC1(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000343886828 278320839 /nfs/dbraw/zinc/32/08/39/278320839.db2.gz JBLINMUELGDZAW-NSHDSACASA-N -1 0 348.277 2.482 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCN(CC(F)(F)F)CC1 ZINC000063736326 304529450 /nfs/dbraw/zinc/52/94/50/304529450.db2.gz RMTSYPCFAUDBPZ-UHFFFAOYSA-N -1 0 347.293 2.011 20 5 EEBDRM COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1OC ZINC000327074298 311604865 /nfs/dbraw/zinc/60/48/65/311604865.db2.gz DNRZEIQAWLHACC-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM Cc1ccc(N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000416448365 313225953 /nfs/dbraw/zinc/22/59/53/313225953.db2.gz TUSBKCZTRMGUDM-JSGCOSHPSA-N -1 0 335.360 2.025 20 5 EEBDRM CC(C)n1cc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)nn1 ZINC000422068871 314175573 /nfs/dbraw/zinc/17/55/73/314175573.db2.gz ASCMGCIXSYYMRA-UHFFFAOYSA-N -1 0 333.348 2.138 20 5 EEBDRM O=C(NCc1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436824902 315002379 /nfs/dbraw/zinc/00/23/79/315002379.db2.gz IVNFZVRFTOAHRV-UHFFFAOYSA-N -1 0 340.295 2.280 20 5 EEBDRM Cc1ccn2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3[O-])nc2c1 ZINC000436885398 315009500 /nfs/dbraw/zinc/00/95/00/315009500.db2.gz NOJBCXLCTXXROO-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM COc1ccc2c(c1)OC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000436890180 315010264 /nfs/dbraw/zinc/01/02/64/315010264.db2.gz DUFSSNXIXQEDCS-NSHDSACASA-N -1 0 344.323 2.043 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(NC(N)=O)cc1 ZINC000436909199 315011846 /nfs/dbraw/zinc/01/18/46/315011846.db2.gz LNFMOWMYZWZAGH-SECBINFHSA-N -1 0 344.327 2.282 20 5 EEBDRM COC(=O)c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436954926 315015783 /nfs/dbraw/zinc/01/57/83/315015783.db2.gz IYYUPOULSAVOTD-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](CC)CN1C(C)=O ZINC000436968790 315017919 /nfs/dbraw/zinc/01/79/19/315017919.db2.gz XCWCRLYUBYTEPR-ZIAGYGMSSA-N -1 0 349.387 2.162 20 5 EEBDRM CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000436987694 315020014 /nfs/dbraw/zinc/02/00/14/315020014.db2.gz VHAAXNWITDOIBT-UHFFFAOYSA-N -1 0 331.328 2.414 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc(C)c(C)s1 ZINC000075923305 441567446 /nfs/dbraw/zinc/56/74/46/441567446.db2.gz AYGFXLGSTNNRKZ-UHFFFAOYSA-N -1 0 343.386 2.478 20 5 EEBDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)CCC1CCC1 ZINC000493018417 315854928 /nfs/dbraw/zinc/85/49/28/315854928.db2.gz CSNKXSCFIPAFDG-RMKNXTFCSA-N -1 0 338.385 2.244 20 5 EEBDRM O=C([O-])c1coc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000515174789 316466418 /nfs/dbraw/zinc/46/64/18/316466418.db2.gz PIEMJOPOSYZRCZ-UHFFFAOYSA-N -1 0 331.328 2.208 20 5 EEBDRM COc1ccc(CC(=O)NC2(C(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC000540673415 318076958 /nfs/dbraw/zinc/07/69/58/318076958.db2.gz UNWJUGKPXBFNKY-UHFFFAOYSA-N -1 0 336.344 2.050 20 5 EEBDRM Cc1ccc(S(=O)(=O)NCCCC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548542016 318395204 /nfs/dbraw/zinc/39/52/04/318395204.db2.gz GUWWOVLWBVYRFK-UHFFFAOYSA-N -1 0 344.389 2.073 20 5 EEBDRM CCC[C@@H](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000548595942 318397364 /nfs/dbraw/zinc/39/73/64/318397364.db2.gz CTDQTKOSFJSYAN-MFKMUULPSA-N -1 0 344.389 2.153 20 5 EEBDRM Cc1cc(N2CCC(Cn3cncn3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565424113 319181678 /nfs/dbraw/zinc/18/16/78/319181678.db2.gz XWRJCBLIHHOWGQ-UHFFFAOYSA-N -1 0 345.359 2.110 20 5 EEBDRM C[C@H]1CCCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000565893902 319224752 /nfs/dbraw/zinc/22/47/52/319224752.db2.gz DSYMOMQTLFDDAH-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM C[C@](CO)(CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000566291152 319269792 /nfs/dbraw/zinc/26/97/92/319269792.db2.gz IDBSOQRJSVFJQY-QGZVFWFLSA-N -1 0 345.355 2.341 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000566294255 319271078 /nfs/dbraw/zinc/27/10/78/319271078.db2.gz BRSLYPDYIPRBQL-CYBMUJFWSA-N -1 0 329.312 2.266 20 5 EEBDRM CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567506168 319386430 /nfs/dbraw/zinc/38/64/30/319386430.db2.gz GAPLYIOFRBQSTG-JTQLQIEISA-N -1 0 344.389 2.396 20 5 EEBDRM CC[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1CC(F)F ZINC000568887948 319527962 /nfs/dbraw/zinc/52/79/62/319527962.db2.gz RSCIZYPXDQBGMF-NSHDSACASA-N -1 0 343.330 2.459 20 5 EEBDRM Cn1ncc2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc21 ZINC000573780254 319964740 /nfs/dbraw/zinc/96/47/40/319964740.db2.gz UXJUBHRPPCDNLB-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM Cc1nnc([C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000576162629 320146485 /nfs/dbraw/zinc/14/64/85/320146485.db2.gz MRJIQNKPPIGSSF-YFKPBYRVSA-N -1 0 326.696 2.136 20 5 EEBDRM CCC1(O)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000577064950 320229232 /nfs/dbraw/zinc/22/92/32/320229232.db2.gz OJQJNGJERLNKFL-UHFFFAOYSA-N -1 0 328.752 2.331 20 5 EEBDRM C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000577219232 320243087 /nfs/dbraw/zinc/24/30/87/320243087.db2.gz XQIJHHBKSPHGDJ-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM COCCCOC1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000579598256 323891238 /nfs/dbraw/zinc/89/12/38/323891238.db2.gz WYGFMMOUOIQTEA-UHFFFAOYSA-N -1 0 338.360 2.315 20 5 EEBDRM Cc1cc(N2CC[S@](=O)C(C)(C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579715349 323915495 /nfs/dbraw/zinc/91/54/95/323915495.db2.gz ZWLMWDWHOWMETM-QHCPKHFHSA-N -1 0 340.401 2.339 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)CN1C ZINC000582124360 324385679 /nfs/dbraw/zinc/38/56/79/324385679.db2.gz ZZVOLWUACRHVPN-RKDXNWHRSA-N -1 0 327.768 2.118 20 5 EEBDRM Cc1cc([C@](C)(O)CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(C)o1 ZINC000184836276 465028767 /nfs/dbraw/zinc/02/87/67/465028767.db2.gz YLLNASUQVQQLHD-MRXNPFEDSA-N -1 0 334.328 2.148 20 5 EEBDRM CCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000347472351 465043120 /nfs/dbraw/zinc/04/31/20/465043120.db2.gz XQIWFGIHEOTRBD-UHFFFAOYSA-N -1 0 334.284 2.215 20 5 EEBDRM COCc1cnc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000351184019 465089412 /nfs/dbraw/zinc/08/94/12/465089412.db2.gz YDNXOKPTYAFMMV-UHFFFAOYSA-N -1 0 343.386 2.307 20 5 EEBDRM O=C(Nc1cccc(N2CCNC2=O)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000339358971 465221794 /nfs/dbraw/zinc/22/17/94/465221794.db2.gz BHUXKTYWRBZYJM-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM Cc1ccc2c(c1)nc(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)n2C ZINC000347880994 465283933 /nfs/dbraw/zinc/28/39/33/465283933.db2.gz NEIMSYJVDHBRNQ-UHFFFAOYSA-N -1 0 340.339 2.426 20 5 EEBDRM COc1cc(C(=O)NCC2(C(=O)[O-])CCCC2)cc([N+](=O)[O-])c1C ZINC000590702285 468313009 /nfs/dbraw/zinc/31/30/09/468313009.db2.gz GJVMWEZNXQNBFS-UHFFFAOYSA-N -1 0 336.344 2.287 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000579359327 468348834 /nfs/dbraw/zinc/34/88/34/468348834.db2.gz KUCVTJXURGOKDD-INIZCTEOSA-N -1 0 331.328 2.071 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1OC ZINC000069676647 463301176 /nfs/dbraw/zinc/30/11/76/463301176.db2.gz QGVPAHWQCUPYTI-UHFFFAOYSA-N -1 0 337.357 2.362 20 5 EEBDRM Cc1cccc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000261672518 463821476 /nfs/dbraw/zinc/82/14/76/463821476.db2.gz LVFFIXDYUGSAES-ZDUSSCGKSA-N -1 0 346.261 2.382 20 5 EEBDRM CC(C)Cc1nnc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000194857064 463944598 /nfs/dbraw/zinc/94/45/98/463944598.db2.gz LBTVAEAECLCQJG-UHFFFAOYSA-N -1 0 340.361 2.118 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262356965 464008904 /nfs/dbraw/zinc/00/89/04/464008904.db2.gz BXTBVJOTOGLABW-UHFFFAOYSA-N -1 0 347.327 2.174 20 5 EEBDRM Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000279241047 464075451 /nfs/dbraw/zinc/07/54/51/464075451.db2.gz HCPRZUAXIDLPAW-NSHDSACASA-N -1 0 346.343 2.180 20 5 EEBDRM O=C([O-])CCCCCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000238129373 464434612 /nfs/dbraw/zinc/43/46/12/464434612.db2.gz DKLPMIZGSRPPKL-UHFFFAOYSA-N -1 0 334.332 2.236 20 5 EEBDRM Cc1ccc(NS(C)(=O)=O)c(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000295378884 464809342 /nfs/dbraw/zinc/80/93/42/464809342.db2.gz SFOFSGMQUUVNFR-UHFFFAOYSA-N -1 0 343.405 2.141 20 5 EEBDRM CCOC(=O)[C@H](CC)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000276171286 464833491 /nfs/dbraw/zinc/83/34/91/464833491.db2.gz FVZJHTGWQOAMDY-ZDUSSCGKSA-N -1 0 336.344 2.247 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000177298451 464980775 /nfs/dbraw/zinc/98/07/75/464980775.db2.gz RPPJUGWHRXVNIC-UHFFFAOYSA-N -1 0 328.375 2.118 20 5 EEBDRM CC(C)N1CCO[C@@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)C1 ZINC000276630423 465008625 /nfs/dbraw/zinc/00/86/25/465008625.db2.gz MCMNUYNVBIEPCN-CYBMUJFWSA-N -1 0 334.332 2.132 20 5 EEBDRM COc1ccc2c(c1)OC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000371138250 465614036 /nfs/dbraw/zinc/61/40/36/465614036.db2.gz XZXFMKZOTXCBRO-NSHDSACASA-N -1 0 344.323 2.499 20 5 EEBDRM C[S@](=O)c1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000362493813 465780689 /nfs/dbraw/zinc/78/06/89/465780689.db2.gz ZSNLRJOTSIKDJH-DEOSSOPVSA-N -1 0 348.336 2.283 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCOCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000362492955 465781631 /nfs/dbraw/zinc/78/16/31/465781631.db2.gz QTVQEUDXQZBOID-UHFFFAOYSA-N -1 0 344.323 2.240 20 5 EEBDRM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000330995101 465890436 /nfs/dbraw/zinc/89/04/36/465890436.db2.gz OGVLEXNNSJDWID-LBPRGKRZSA-N -1 0 346.380 2.217 20 5 EEBDRM COC(=O)c1ccc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000347276229 466528445 /nfs/dbraw/zinc/52/84/45/466528445.db2.gz HKZXXFCQKYTYPF-UHFFFAOYSA-N -1 0 344.323 2.060 20 5 EEBDRM COc1ccc(S(=O)(=O)Nc2ccc(C)c(O)c2)cc1[N+](=O)[O-] ZINC000320776333 466613724 /nfs/dbraw/zinc/61/37/24/466613724.db2.gz RGARZMPRAYDJJY-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM C[S@@](=O)C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000428012529 467193769 /nfs/dbraw/zinc/19/37/69/467193769.db2.gz FDAVSPGJONCNMA-IZHWHUGBSA-N -1 0 348.380 2.150 20 5 EEBDRM C[C@H]1Oc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2NC1=O ZINC000436637738 467548298 /nfs/dbraw/zinc/54/82/98/467548298.db2.gz BFOPPGKUNBLGDB-MRVPVSSYSA-N -1 0 343.295 2.272 20 5 EEBDRM CCOC(=O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000436797294 467554773 /nfs/dbraw/zinc/55/47/73/467554773.db2.gz ZXUATZJFHXAJET-CQSZACIVSA-N -1 0 344.323 2.335 20 5 EEBDRM Cc1nnc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])s1 ZINC000444855796 467583802 /nfs/dbraw/zinc/58/38/02/467583802.db2.gz IBOFBOKVGMDJGG-UHFFFAOYSA-N -1 0 349.191 2.831 20 5 EEBDRM COc1cc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC000515845756 468005959 /nfs/dbraw/zinc/00/59/59/468005959.db2.gz ROCCCIZEMMFPKY-JOYOIKCWSA-N -1 0 336.344 2.095 20 5 EEBDRM CC(C)OC(=O)C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000594407743 468575109 /nfs/dbraw/zinc/57/51/09/468575109.db2.gz NIJITCSQNYITNN-AWEZNQCLSA-N -1 0 338.360 2.397 20 5 EEBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1nccc(C2CC2)n1 ZINC000600668507 468616164 /nfs/dbraw/zinc/61/61/64/468616164.db2.gz YBGPOLGIGIGQIX-UHFFFAOYSA-N -1 0 348.384 2.247 20 5 EEBDRM COC[C@@H](CC(C)(C)C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000594597584 468630641 /nfs/dbraw/zinc/63/06/41/468630641.db2.gz PEQXCZJBVQHAHM-GFCCVEGCSA-N -1 0 338.360 2.474 20 5 EEBDRM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000597875500 468700568 /nfs/dbraw/zinc/70/05/68/468700568.db2.gz QWKPOSQYMYKTIU-JTQLQIEISA-N -1 0 338.360 2.493 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000595250342 468793795 /nfs/dbraw/zinc/79/37/95/468793795.db2.gz LZZGELZTOWHKHV-RHSMWYFYSA-N -1 0 345.355 2.309 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000592953283 468826726 /nfs/dbraw/zinc/82/67/26/468826726.db2.gz WBJVMIDXBRMEPE-KGLIPLIRSA-N -1 0 334.372 2.487 20 5 EEBDRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000592953239 468826912 /nfs/dbraw/zinc/82/69/12/468826912.db2.gz NYSGWUKTCKVJDN-UHFFFAOYSA-N -1 0 346.339 2.438 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(c3ccncn3)CC2)c1 ZINC000592970904 468830939 /nfs/dbraw/zinc/83/09/39/468830939.db2.gz OWUVRJNWMZIBNQ-UHFFFAOYSA-N -1 0 328.328 2.467 20 5 EEBDRM CNc1ccc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1[N+](=O)[O-] ZINC000598660534 468949659 /nfs/dbraw/zinc/94/96/59/468949659.db2.gz AEXHENHLEFQALV-AWEZNQCLSA-N -1 0 335.360 2.400 20 5 EEBDRM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000598661928 468950646 /nfs/dbraw/zinc/95/06/46/468950646.db2.gz OSMZRZOBIQYOKF-UONOGXRCSA-N -1 0 329.312 2.353 20 5 EEBDRM Cc1c(NC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cccc1[N+](=O)[O-] ZINC000598912185 469047030 /nfs/dbraw/zinc/04/70/30/469047030.db2.gz NGWRXEYVEWUOFC-JTQLQIEISA-N -1 0 346.347 2.138 20 5 EEBDRM O=C([O-])CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000610845780 469087426 /nfs/dbraw/zinc/08/74/26/469087426.db2.gz DKHJDXDAEXHMAO-UHFFFAOYSA-N -1 0 336.344 2.220 20 5 EEBDRM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000614897802 469087338 /nfs/dbraw/zinc/08/73/38/469087338.db2.gz AUKFACYHPFUVME-ZDUSSCGKSA-N -1 0 348.277 2.484 20 5 EEBDRM C[C@@H]1CCCN(c2ccc(C(=O)NC3(C(=O)[O-])CC3)cc2[N+](=O)[O-])C1 ZINC000611464229 469255576 /nfs/dbraw/zinc/25/55/76/469255576.db2.gz XZKCWOAPCCFRCM-LLVKDONJSA-N -1 0 347.371 2.178 20 5 EEBDRM COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000612539835 469491226 /nfs/dbraw/zinc/49/12/26/469491226.db2.gz UXTPFRZWWKGNFA-UHFFFAOYSA-N -1 0 342.307 2.243 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H](C(F)(F)F)O1 ZINC000613978564 469826299 /nfs/dbraw/zinc/82/62/99/469826299.db2.gz NLRDJLNQYNPLJA-RDDDGLTNSA-N -1 0 334.250 2.092 20 5 EEBDRM CC(C)CC(=O)N1CCC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000164391167 527655615 /nfs/dbraw/zinc/65/56/15/527655615.db2.gz QDNXRLFUYSQODT-UHFFFAOYSA-N -1 0 349.387 2.067 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000263055257 535425894 /nfs/dbraw/zinc/42/58/94/535425894.db2.gz FWQAFZBXUSJXGL-CYBMUJFWSA-N -1 0 348.355 2.320 20 5 EEBDRM CC[C@@](C)(NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262415786 535995359 /nfs/dbraw/zinc/99/53/59/535995359.db2.gz JXVYJUPOQQFTLC-YMTOWFKASA-N -1 0 326.374 2.445 20 5 EEBDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Oc1ccccc1[N+](=O)[O-] ZINC000738292483 578008331 /nfs/dbraw/zinc/00/83/31/578008331.db2.gz SVPVYYSPSIENEB-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1c(C(=O)OCc2noc(CCCC(=O)[O-])n2)cccc1[N+](=O)[O-] ZINC000738285291 578007882 /nfs/dbraw/zinc/00/78/82/578007882.db2.gz CCROXIOFLYMVCL-UHFFFAOYSA-N -1 0 349.299 2.051 20 5 EEBDRM Cc1cc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(=O)[O-])s1 ZINC000738475135 576469369 /nfs/dbraw/zinc/46/93/69/576469369.db2.gz ZAXKGGPMDHVVKB-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000732907029 577196890 /nfs/dbraw/zinc/19/68/90/577196890.db2.gz DQJIUKJSLOUXAK-JTQLQIEISA-N -1 0 344.389 2.099 20 5 EEBDRM C[C@@H](COc1ccccc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000776685157 577466054 /nfs/dbraw/zinc/46/60/54/577466054.db2.gz LQEBYQPYMYXHDG-NSHDSACASA-N -1 0 344.323 2.490 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3nonc32)cc1[N+](=O)[O-] ZINC000753017613 577780139 /nfs/dbraw/zinc/78/01/39/577780139.db2.gz PSDJPXQRSNLUJZ-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM Cc1cccc(N(CC(=O)[O-])C(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000738721576 578024932 /nfs/dbraw/zinc/02/49/32/578024932.db2.gz DULKQXNKVXMRDF-UHFFFAOYSA-N -1 0 333.275 2.169 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000739202656 578043819 /nfs/dbraw/zinc/04/38/19/578043819.db2.gz KGDWLYUYHLUBFC-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM O=C([O-])CCN(Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000739723966 578065664 /nfs/dbraw/zinc/06/56/64/578065664.db2.gz BPRQPWQFUKBGKR-NSHDSACASA-N -1 0 326.324 2.190 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000740164001 578083470 /nfs/dbraw/zinc/08/34/70/578083470.db2.gz IXMTZHLBCWHYME-UHFFFAOYSA-N -1 0 348.286 2.241 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N(C)CC(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655544 578216714 /nfs/dbraw/zinc/21/67/14/578216714.db2.gz DYYMCGSDAKDTCG-JTQLQIEISA-N -1 0 337.376 2.280 20 5 EEBDRM CNC(=O)c1cccc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000737551926 578263737 /nfs/dbraw/zinc/26/37/37/578263737.db2.gz LELAUIDVPWMVHM-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000737963489 578274733 /nfs/dbraw/zinc/27/47/33/578274733.db2.gz XTJQKQMSLXTILU-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM CC(C)C[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000826820189 600950324 /nfs/dbraw/zinc/95/03/24/600950324.db2.gz OKOMTRBTGRYJKD-CQSZACIVSA-N -1 0 347.327 2.437 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC(C)(C)CCC(=O)[O-])c1C ZINC000261745080 601258170 /nfs/dbraw/zinc/25/81/70/601258170.db2.gz OKEZXLIESNQBIX-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1cc(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC000832886827 601406921 /nfs/dbraw/zinc/40/69/21/601406921.db2.gz MOPGLHXZQUWRFL-UHFFFAOYSA-N -1 0 345.267 2.059 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000830859327 601420803 /nfs/dbraw/zinc/42/08/03/601420803.db2.gz FJMSSUOXCJOEIC-UHFFFAOYSA-N -1 0 335.360 2.381 20 5 EEBDRM CC[C@@H](CCO)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000828880180 601560409 /nfs/dbraw/zinc/56/04/09/601560409.db2.gz RRVGZMQSLGJKFL-QMMMGPOBSA-N -1 0 327.293 2.022 20 5 EEBDRM O=C([O-])c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)cc1F ZINC000236489058 601674958 /nfs/dbraw/zinc/67/49/58/601674958.db2.gz STWZBFQGZPECAX-UHFFFAOYSA-N -1 0 344.096 2.439 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1F ZINC000833126729 601736080 /nfs/dbraw/zinc/73/60/80/601736080.db2.gz SOONCGRIQOEAKP-ZDUSSCGKSA-N -1 0 336.250 2.429 20 5 EEBDRM O=C([O-])c1coc(C(=O)COC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000833339895 602015684 /nfs/dbraw/zinc/01/56/84/602015684.db2.gz OROBDDSKYAMVBA-UHFFFAOYSA-N -1 0 337.215 2.065 20 5 EEBDRM Cc1cc(NCc2cccc(C(N)=O)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898877 602314280 /nfs/dbraw/zinc/31/42/80/602314280.db2.gz XAIWVHZABOEWIG-UHFFFAOYSA-N -1 0 329.312 2.312 20 5 EEBDRM Cc1cc(N2CCC[C@H](NC(=O)C(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890460 602316051 /nfs/dbraw/zinc/31/60/51/602316051.db2.gz FELDFSUFIQCCTI-LBPRGKRZSA-N -1 0 349.387 2.342 20 5 EEBDRM CSC[C@@H](CCO)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832754271 604269428 /nfs/dbraw/zinc/26/94/28/604269428.db2.gz YJZFTGDSJLHQLS-SSDOTTSWSA-N -1 0 334.781 2.472 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1F ZINC000833140480 604805020 /nfs/dbraw/zinc/80/50/20/604805020.db2.gz NCBMRNLTWPLMFV-UHFFFAOYSA-N -1 0 347.302 2.274 20 5 EEBDRM O=C([O-])C1(NC(=O)COc2cc(F)cc([N+](=O)[O-])c2)CCCCC1 ZINC000833114914 604807106 /nfs/dbraw/zinc/80/71/06/604807106.db2.gz XGBKAXIITWSDKI-UHFFFAOYSA-N -1 0 340.307 2.016 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000833254504 604898177 /nfs/dbraw/zinc/89/81/77/604898177.db2.gz MWWUUPRVEFHIGY-UHFFFAOYSA-N -1 0 335.243 2.417 20 5 EEBDRM C/C(=C/C(=O)NC1CCN(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000833383082 605448876 /nfs/dbraw/zinc/44/88/76/605448876.db2.gz QZZJQJGTUDXSPX-KHPPLWFESA-N -1 0 333.344 2.257 20 5 EEBDRM COc1cc(CNc2cccc(-c3nn[nH]n3)c2)cc([N+](=O)[O-])c1[O-] ZINC000826179382 608868805 /nfs/dbraw/zinc/86/88/05/608868805.db2.gz MKFILMKCUFTIIN-UHFFFAOYSA-N -1 0 342.315 2.101 20 5 EEBDRM O=C([O-])[C@H]1CCCN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000901453704 694038914 /nfs/dbraw/zinc/03/89/14/694038914.db2.gz OKOFXXZHJYBAMA-MRVPVSSYSA-N -1 0 335.179 2.468 20 5 EEBDRM C[C@H](CN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000263229241 689523647 /nfs/dbraw/zinc/52/36/47/689523647.db2.gz MDWABZZZPZBJGB-MRVPVSSYSA-N -1 0 329.740 2.110 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000263431419 689840435 /nfs/dbraw/zinc/84/04/35/689840435.db2.gz SWLYVBPNJSPEKW-GFCCVEGCSA-N -1 0 347.371 2.132 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000263442442 689855229 /nfs/dbraw/zinc/85/52/29/689855229.db2.gz XJSPZEAYNOJSFT-QGZVFWFLSA-N -1 0 347.371 2.132 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@](C)(C(=O)[O-])C1 ZINC000841496237 1187079832 /nfs/dbraw/zinc/07/98/32/1187079832.db2.gz XAFDDSAXHZZJLE-OAHLLOKOSA-N -1 0 340.307 2.212 20 5 EEBDRM O=C([O-])c1cc(N2CCO[C@H](C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000871868110 1197943639 /nfs/dbraw/zinc/94/36/39/1197943639.db2.gz XSKVWASECORSIB-NSHDSACASA-N -1 0 334.250 2.451 20 5 EEBDRM NC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)nc1Cl ZINC000813394048 1199026752 /nfs/dbraw/zinc/02/67/52/1199026752.db2.gz NJCHAOYZHZVRDR-UHFFFAOYSA-N -1 0 338.682 2.134 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1(F)CCCCC1 ZINC000810634957 1199635465 /nfs/dbraw/zinc/63/54/65/1199635465.db2.gz YARXSWSGKGIBCW-UHFFFAOYSA-N -1 0 348.327 2.211 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C(C1CC1)C1CC1 ZINC000126316667 1199851725 /nfs/dbraw/zinc/85/17/25/1199851725.db2.gz MMFVTKCQUURBDK-UHFFFAOYSA-N -1 0 338.385 2.144 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C(C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000127305467 1200642380 /nfs/dbraw/zinc/64/23/80/1200642380.db2.gz NJGKZKSZHOPDKO-UHFFFAOYSA-N -1 0 338.385 2.144 20 5 EEBDRM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000795329756 1211962845 /nfs/dbraw/zinc/96/28/45/1211962845.db2.gz WBRLGLOMKCVDCI-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cnn1C ZINC000795333490 1211974574 /nfs/dbraw/zinc/97/45/74/1211974574.db2.gz YVMGLEAROVNBAY-UHFFFAOYSA-N -1 0 348.743 2.230 20 5 EEBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2ccncc2Br)no1 ZINC001212893071 1214377819 /nfs/dbraw/zinc/37/78/19/1214377819.db2.gz LESMYBGKHDIQCI-UHFFFAOYSA-N -1 0 337.093 2.192 20 5 EEBDRM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000800398534 1234104168 /nfs/dbraw/zinc/10/41/68/1234104168.db2.gz NOPIUHAWOVUSBU-JTQLQIEISA-N -1 0 344.389 2.235 20 5 EEBDRM CC(C)(CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000815896576 1278293836 /nfs/dbraw/zinc/29/38/36/1278293836.db2.gz LGAPPRFEOQWGHY-UHFFFAOYSA-N -1 0 340.401 2.367 20 5 EEBDRM COc1cnc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)c(C)c1 ZINC001213596275 1296101802 /nfs/dbraw/zinc/10/18/02/1296101802.db2.gz VKFBDRSEAWAEJG-UHFFFAOYSA-N -1 0 329.272 2.124 20 5 EEBDRM COc1cc(OC)cc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)c1 ZINC001213596190 1296102631 /nfs/dbraw/zinc/10/26/31/1296102631.db2.gz QLINHTDANVXFKG-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM O=C([O-])C[C@@H](O)C(=O)OCc1c2ccccc2nc2ccccc21 ZINC001223334110 1300086881 /nfs/dbraw/zinc/08/68/81/1300086881.db2.gz HIONCSYIAVMFNH-MRXNPFEDSA-N -1 0 325.320 2.267 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001226020796 1301235899 /nfs/dbraw/zinc/23/58/99/1301235899.db2.gz LRVFCGKARHDZLA-BDAKNGLRSA-N -1 0 325.321 2.225 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](C)c2ccccc2F)c1[N+](=O)[O-] ZINC001226650494 1301495095 /nfs/dbraw/zinc/49/50/95/1301495095.db2.gz YYYOZCBEXYCEQG-SSDOTTSWSA-N -1 0 337.263 2.156 20 5 EEBDRM O=c1nc(O[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])[nH]c(=O)[n-]1 ZINC001227571278 1301894989 /nfs/dbraw/zinc/89/49/89/1301894989.db2.gz RLXQPYCCMIPVBC-CYBMUJFWSA-N -1 0 340.295 2.359 20 5 EEBDRM Cc1nn(C)cc1[C@H](C)Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228240582 1302170678 /nfs/dbraw/zinc/17/06/78/1302170678.db2.gz QIYOFEVXQANKFS-VIFPVBQESA-N -1 0 329.316 2.426 20 5 EEBDRM O=c1[n-]c(C2CC2)nc(OC[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC001228603881 1302332435 /nfs/dbraw/zinc/33/24/35/1302332435.db2.gz NALCIASOWFFXHQ-JTQLQIEISA-N -1 0 345.311 2.187 20 5 EEBDRM CCOC(=O)[C@@H](CC)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228859957 1302489280 /nfs/dbraw/zinc/48/92/80/1302489280.db2.gz OQPSRJATGBNMBO-SSDOTTSWSA-N -1 0 338.238 2.435 20 5 EEBDRM O=C(CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000780646871 1303681033 /nfs/dbraw/zinc/68/10/33/1303681033.db2.gz UPSAUVZGUONTLY-UHFFFAOYSA-N -1 0 344.323 2.164 20 5 EEBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(OC2CCN(CCF)CC2)cc1[O-] ZINC001231224854 1303690317 /nfs/dbraw/zinc/69/03/17/1303690317.db2.gz RZLSPRWXAIGKII-UHFFFAOYSA-N -1 0 329.284 2.021 20 5 EEBDRM C[C@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001117831599 1306184141 /nfs/dbraw/zinc/18/41/41/1306184141.db2.gz RPVYHPXTMCJVNC-HZMBPMFUSA-N -1 0 326.374 2.226 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C(C)(C)C2CC2)cccc1[N+](=O)[O-] ZINC000842404067 1315697956 /nfs/dbraw/zinc/69/79/56/1315697956.db2.gz MLYFJBNYSXTNIO-UHFFFAOYSA-N -1 0 340.401 2.285 20 5 EEBDRM CNC(=O)c1ccc2nc(-c3cccc([N+](=O)[O-])c3[O-])n(C)c2c1 ZINC001251272289 1317442775 /nfs/dbraw/zinc/44/27/75/1317442775.db2.gz UNJHWDFJEIOTBY-UHFFFAOYSA-N -1 0 326.312 2.214 20 5 EEBDRM Cc1cc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C(=O)[O-])ccc1F ZINC001607613761 1351525204 /nfs/dbraw/zinc/52/52/04/1351525204.db2.gz AQVBQVYZMCHAFX-CQSZACIVSA-N -1 0 347.302 2.180 20 5 EEBDRM O=C([O-])c1nc[nH]c1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001608316756 1351669887 /nfs/dbraw/zinc/66/98/87/1351669887.db2.gz LMGIUPCCPQNPJM-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC001608357337 1351677927 /nfs/dbraw/zinc/67/79/27/1351677927.db2.gz LESFQTFIPAKFGM-LBPRGKRZSA-N -1 0 331.683 2.336 20 5 EEBDRM O=C([O-])C1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001608636290 1351731032 /nfs/dbraw/zinc/73/10/32/1351731032.db2.gz ULTGLGJSDYQHLW-UHFFFAOYSA-N -1 0 336.735 2.492 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@H]2CCN(C3CCC3)C2=O)c([N+](=O)[O-])c1 ZINC001608661548 1351736918 /nfs/dbraw/zinc/73/69/18/1351736918.db2.gz ZQVXPGKTRXCIAU-VSKVDJIOSA-N -1 0 345.355 2.258 20 5 EEBDRM O=C([O-])COc1ccc(CN2CC[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001608758978 1351756813 /nfs/dbraw/zinc/75/68/13/1351756813.db2.gz PEVQBPNTOWANFV-MNOVXSKESA-N -1 0 342.298 2.145 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])cs1 ZINC001608863360 1351780944 /nfs/dbraw/zinc/78/09/44/1351780944.db2.gz YRFZUJOOEPVTGL-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001608874796 1351783613 /nfs/dbraw/zinc/78/36/13/1351783613.db2.gz JYMCVHYEDJOLBQ-UHFFFAOYSA-N -1 0 332.287 2.405 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)s1 ZINC001608885087 1351786593 /nfs/dbraw/zinc/78/65/93/1351786593.db2.gz PYQLNIRKWRETBP-UHFFFAOYSA-N -1 0 346.324 2.161 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cccnc2N2CCCC2)n1 ZINC001608915883 1351793546 /nfs/dbraw/zinc/79/35/46/1351793546.db2.gz XDYKZAVOPRWZST-UHFFFAOYSA-N -1 0 343.343 2.295 20 5 EEBDRM COC(=O)[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001319927113 1332798533 /nfs/dbraw/zinc/79/85/33/1332798533.db2.gz HMULBKJMXXIBKS-QGZVFWFLSA-N -1 0 344.323 2.119 20 5 EEBDRM C[C@@H](C(=O)[O-])N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC001609641551 1352048599 /nfs/dbraw/zinc/04/85/99/1352048599.db2.gz KVQDSQPAYBWHRI-JTQLQIEISA-N -1 0 346.343 2.472 20 5 EEBDRM Cn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CCC[C@@H](CF)C1 ZINC001338837534 1336917239 /nfs/dbraw/zinc/91/72/39/1336917239.db2.gz DTNKQTXWZFUWEP-JTQLQIEISA-N -1 0 335.339 2.282 20 5 EEBDRM C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC001609859449 1352104259 /nfs/dbraw/zinc/10/42/59/1352104259.db2.gz DPJNQEQAHMMQJV-BSLXNSKLSA-N -1 0 332.356 2.410 20 5 EEBDRM Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCCC2(CC2)C1 ZINC001339925121 1337097590 /nfs/dbraw/zinc/09/75/90/1337097590.db2.gz AFWDWFXLAXXAII-UHFFFAOYSA-N -1 0 329.360 2.476 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)[O-] ZINC001609902038 1352115254 /nfs/dbraw/zinc/11/52/54/1352115254.db2.gz QQCPIMSWQPDVSU-AMIZOPFISA-N -1 0 341.339 2.029 20 5 EEBDRM CC(C)Cn1cc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cn1 ZINC001348543924 1337559162 /nfs/dbraw/zinc/55/91/62/1337559162.db2.gz UJCAMKWFKNEYQP-UHFFFAOYSA-N -1 0 330.391 2.310 20 5 EEBDRM CC[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847893446 1338366134 /nfs/dbraw/zinc/36/61/34/1338366134.db2.gz AXXHTVWCPDWQFQ-ZYHUDNBSSA-N -1 0 341.389 2.011 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc(C(=O)[O-])n2)c1 ZINC001610347431 1352208686 /nfs/dbraw/zinc/20/86/86/1352208686.db2.gz BAOHXYORGYQUCP-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@@H]2CC2(Cl)Cl)cc([N+](=O)[O-])c1 ZINC001610809220 1352278518 /nfs/dbraw/zinc/27/85/18/1352278518.db2.gz HOGSUDMGHVSBHO-QMMMGPOBSA-N -1 0 333.127 2.217 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCCOC[C@@H]1CCOC1 ZINC001610817359 1352280036 /nfs/dbraw/zinc/28/00/36/1352280036.db2.gz HVVNNZCSYUSWTM-SECBINFHSA-N -1 0 344.751 2.411 20 5 EEBDRM O=C([O-])c1ccc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)s1 ZINC001610832591 1352282337 /nfs/dbraw/zinc/28/23/37/1352282337.db2.gz AHFXWRKXAFGJTG-UHFFFAOYSA-N -1 0 334.353 2.443 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001610838250 1352283023 /nfs/dbraw/zinc/28/30/23/1352283023.db2.gz RGKUIJKIPPQEDZ-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM CC(C)(C)O[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)C1 ZINC001589197341 1348968825 /nfs/dbraw/zinc/96/88/25/1348968825.db2.gz GGUALMYJLHNAFM-DTORHVGOSA-N -1 0 347.379 2.115 20 5 EEBDRM Cc1c(NCC(=O)N2CCC[C@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600048661 1349961840 /nfs/dbraw/zinc/96/18/40/1349961840.db2.gz KWYKMEGTABANGM-JTQLQIEISA-N -1 0 335.360 2.272 20 5 EEBDRM Cc1cc(NC[C@@H](O)COc2ccccc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600279170 1350009340 /nfs/dbraw/zinc/00/93/40/1350009340.db2.gz AUHOQZGAKLLIJL-GFCCVEGCSA-N -1 0 346.339 2.453 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1Cl ZINC001600302484 1350015085 /nfs/dbraw/zinc/01/50/85/1350015085.db2.gz MKMYGDNYYDVQMU-DTWKUNHWSA-N -1 0 326.736 2.492 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001600304950 1350015838 /nfs/dbraw/zinc/01/58/38/1350015838.db2.gz YNTWZVNDOWFHOX-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1cccc(OCC(=O)NC2(C(=O)[O-])CCCCC2)c1[N+](=O)[O-] ZINC001600544454 1350078281 /nfs/dbraw/zinc/07/82/81/1350078281.db2.gz GXOFLPNHHYFRGQ-UHFFFAOYSA-N -1 0 336.344 2.186 20 5 EEBDRM Cc1cnc(NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001600623751 1350100798 /nfs/dbraw/zinc/10/07/98/1350100798.db2.gz PILAZLOWSABOQI-LBPRGKRZSA-N -1 0 331.328 2.359 20 5 EEBDRM Cc1nn(C)c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1Cl ZINC001600773533 1350132880 /nfs/dbraw/zinc/13/28/80/1350132880.db2.gz CLCWLXQNFMJZBI-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001600905499 1350164561 /nfs/dbraw/zinc/16/45/61/1350164561.db2.gz NQVUCPKCGKZOQE-UHFFFAOYSA-N -1 0 329.312 2.225 20 5 EEBDRM Cn1cc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1C(=O)[O-] ZINC001600964924 1350178195 /nfs/dbraw/zinc/17/81/95/1350178195.db2.gz UFURYSOHYBYDKQ-UHFFFAOYSA-N -1 0 330.300 2.179 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001600970558 1350179803 /nfs/dbraw/zinc/17/98/03/1350179803.db2.gz KWHWRJIOTKRJAH-UHFFFAOYSA-N -1 0 328.284 2.365 20 5 EEBDRM NC(=O)c1cccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001601167806 1350223969 /nfs/dbraw/zinc/22/39/69/1350223969.db2.gz IUEWOHKIZSHZQI-ALCCZGGFSA-N -1 0 341.323 2.404 20 5 EEBDRM Nc1ncc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC001601221377 1350235493 /nfs/dbraw/zinc/23/54/93/1350235493.db2.gz YNMOAWFXZUEUHK-UHFFFAOYSA-N -1 0 336.691 2.176 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001601290124 1350250391 /nfs/dbraw/zinc/25/03/91/1350250391.db2.gz CSMQQDBRZGDYSG-GBOPCIDUSA-N -1 0 332.356 2.143 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001601424086 1350280967 /nfs/dbraw/zinc/28/09/67/1350280967.db2.gz OEWRCZJEATZMDH-GFCCVEGCSA-N -1 0 349.730 2.069 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC001601581723 1350312220 /nfs/dbraw/zinc/31/22/20/1350312220.db2.gz UGHRIBGAAYKDGU-DTWKUNHWSA-N -1 0 329.106 2.017 20 5 EEBDRM O=C([O-])C1(CS(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC001601717065 1350346836 /nfs/dbraw/zinc/34/68/36/1350346836.db2.gz HSURMKLSCJJYLQ-UHFFFAOYSA-N -1 0 349.748 2.212 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC001601809105 1350369663 /nfs/dbraw/zinc/36/96/63/1350369663.db2.gz PQJBVUXVWLGIHC-GHMZBOCLSA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])/C=C\c1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC001601874486 1350387047 /nfs/dbraw/zinc/38/70/47/1350387047.db2.gz QOTBAAORVLVPSG-UTCJRWHESA-N -1 0 328.280 2.489 20 5 EEBDRM O=C([O-])CCSCCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001602028649 1350421473 /nfs/dbraw/zinc/42/14/73/1350421473.db2.gz JRRNGRHEQVCIEP-CHWSQXEVSA-N -1 0 338.385 2.022 20 5 EEBDRM O=C([O-])c1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)on1 ZINC001602242336 1350474453 /nfs/dbraw/zinc/47/44/53/1350474453.db2.gz UHXMVNVAWVYCQQ-UHFFFAOYSA-N -1 0 331.284 2.086 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)on1 ZINC001602251054 1350476950 /nfs/dbraw/zinc/47/69/50/1350476950.db2.gz QMZBWWPKAYFXJU-UHFFFAOYSA-N -1 0 326.648 2.291 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)C2CCSCC2)c1 ZINC001602403606 1350511448 /nfs/dbraw/zinc/51/14/48/1350511448.db2.gz JDYBMWIJBQZBRG-UHFFFAOYSA-N -1 0 325.342 2.479 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccccc2-n2ccnc2)n1 ZINC001602405616 1350511824 /nfs/dbraw/zinc/51/18/24/1350511824.db2.gz ALLDDYWCTLTTDA-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(c3cccc(O)c3)CC2)c1 ZINC001602404603 1350511984 /nfs/dbraw/zinc/51/19/84/1350511984.db2.gz VLUZHFSSGOMWMY-UHFFFAOYSA-N -1 0 343.339 2.325 20 5 EEBDRM O=C([O-])c1cnc(Oc2ccc(-n3cncn3)cc2)c([N+](=O)[O-])c1 ZINC001602537549 1350541398 /nfs/dbraw/zinc/54/13/98/1350541398.db2.gz UZPANNYUMBWCHA-UHFFFAOYSA-N -1 0 327.256 2.061 20 5 EEBDRM O=C([O-])c1cncc(COc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC001602540254 1350541908 /nfs/dbraw/zinc/54/19/08/1350541908.db2.gz VCLOZOAWAQCKEP-UHFFFAOYSA-N -1 0 332.268 2.038 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC001602621726 1350559666 /nfs/dbraw/zinc/55/96/66/1350559666.db2.gz WVUIJUTWKRNPNS-UHFFFAOYSA-N -1 0 329.264 2.447 20 5 EEBDRM C[C@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC001603163703 1350653540 /nfs/dbraw/zinc/65/35/40/1350653540.db2.gz BSYBHEVGMMVGDG-GXSJLCMTSA-N -1 0 338.335 2.455 20 5 EEBDRM CCC[C@@H](OCC)C(=O)OCc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604151247 1350875271 /nfs/dbraw/zinc/87/52/71/1350875271.db2.gz WPFHQJMEYMWZGK-CYBMUJFWSA-N -1 0 349.347 2.023 20 5 EEBDRM CN(C)c1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001604701950 1350988034 /nfs/dbraw/zinc/98/80/34/1350988034.db2.gz BQJHZHZYNGASCY-UHFFFAOYSA-N -1 0 339.359 2.453 20 5 EEBDRM C/C=C\C[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001604850581 1351018850 /nfs/dbraw/zinc/01/88/50/1351018850.db2.gz FSQVAPCNRWYZJW-BYCRGOAPSA-N -1 0 337.332 2.050 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001605982862 1351260982 /nfs/dbraw/zinc/26/09/82/1351260982.db2.gz YODAXOOEWMAEAS-UHFFFAOYSA-N -1 0 330.296 2.335 20 5 EEBDRM CO[C@@H]1CC[C@@H]1N(C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001606737768 1351349565 /nfs/dbraw/zinc/34/95/65/1351349565.db2.gz ZBYVFMRSXSQGHS-WCQYABFASA-N -1 0 337.332 2.243 20 5 EEBDRM COCC[C@@H](COC)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606855522 1351366905 /nfs/dbraw/zinc/36/69/05/1351366905.db2.gz HYLCRCSOAWPMGY-QMMMGPOBSA-N -1 0 332.740 2.410 20 5 EEBDRM COc1c(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001607009337 1351396317 /nfs/dbraw/zinc/39/63/17/1351396317.db2.gz ASPXDSQBGPXSGT-BZNIZROVSA-N -1 0 336.344 2.367 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(C(=O)[O-])cc1 ZINC001607191098 1351446057 /nfs/dbraw/zinc/44/60/57/1351446057.db2.gz HAKDVUHOGILOSO-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CC(=O)[O-] ZINC001607435161 1351494035 /nfs/dbraw/zinc/49/40/35/1351494035.db2.gz XGPHESQQBJFELW-RKDXNWHRSA-N -1 0 326.736 2.431 20 5 EEBDRM Cc1cncc(CCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC001607910042 1351584354 /nfs/dbraw/zinc/58/43/54/1351584354.db2.gz ROEHVTAWCPHBPD-HYXAFXHYSA-N -1 0 328.328 2.446 20 5 EEBDRM Nc1c(C(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001608267055 1351659372 /nfs/dbraw/zinc/65/93/72/1351659372.db2.gz AKYNCMOJGVQDRF-CYBMUJFWSA-N -1 0 348.286 2.169 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)NCCc1ccccc1[N+](=O)[O-])CC2 ZINC001608454706 1351698191 /nfs/dbraw/zinc/69/81/91/1351698191.db2.gz QKNGSUWXAGNBJK-PBHICJAKSA-N -1 0 347.371 2.176 20 5 EEBDRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006330276 1369135907 /nfs/dbraw/zinc/13/59/07/1369135907.db2.gz MRTPCLVDANRQQP-UWVGGRQHSA-N -1 0 335.272 2.109 20 5 EEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C(C)(C)C ZINC000839056172 1372886539 /nfs/dbraw/zinc/88/65/39/1372886539.db2.gz JDBUCMAFZFMRKS-UHFFFAOYSA-N -1 0 343.405 2.268 20 5 EEBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000785079717 759932358 /nfs/dbraw/zinc/93/23/58/759932358.db2.gz XAPILMYBOXRKBK-ZJUUUORDSA-N -1 0 346.430 2.320 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)nn1C ZINC000817355009 784692905 /nfs/dbraw/zinc/69/29/05/784692905.db2.gz PBZUHGGROBODLV-UHFFFAOYSA-N -1 0 342.352 2.139 20 5 EEBDRM C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000820058324 785763861 /nfs/dbraw/zinc/76/38/61/785763861.db2.gz GWJGLAKPVSFJEH-WPRPVWTQSA-N -1 0 332.403 2.288 20 5 EEBDRM O=C([O-])c1cnc(NC[C@H]2COc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000844207060 788924929 /nfs/dbraw/zinc/92/49/29/788924929.db2.gz VBSIJDXGKJFPKH-JTQLQIEISA-N -1 0 329.312 2.351 20 5 EEBDRM Cc1ccc(N2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)cc1 ZINC000844206562 788925587 /nfs/dbraw/zinc/92/55/87/788925587.db2.gz LGEZWIPJOMPPHC-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@@H](CO)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000844210679 788928644 /nfs/dbraw/zinc/92/86/44/788928644.db2.gz YKMBJCGXVVGUER-HDMKULJXSA-N -1 0 334.250 2.418 20 5 EEBDRM O=C([O-])c1ccnc(N[C@H]2CCc3ccccc3OC2)c1[N+](=O)[O-] ZINC000844211872 788929632 /nfs/dbraw/zinc/92/96/32/788929632.db2.gz JOMBZWVITLNQEM-NSHDSACASA-N -1 0 329.312 2.494 20 5 EEBDRM Cn1cc(C[C@H]2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C2)cn1 ZINC000844212890 788930898 /nfs/dbraw/zinc/93/08/98/788930898.db2.gz PBPHGCMKZMWUQV-CYBMUJFWSA-N -1 0 344.371 2.024 20 5 EEBDRM O=C([O-])c1ccc(Nc2cccnc2N2CCOCC2)cc1[N+](=O)[O-] ZINC001174502573 797784127 /nfs/dbraw/zinc/78/41/27/797784127.db2.gz AOEUNCDKSKXBET-UHFFFAOYSA-N -1 0 344.327 2.268 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc3c(cnn3CCO)c2)cc1[N+](=O)[O-] ZINC001174504742 797784880 /nfs/dbraw/zinc/78/48/80/797784880.db2.gz HNXSCJPQLZIBII-UHFFFAOYSA-N -1 0 342.311 2.379 20 5 EEBDRM CC[C@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000796738012 808799793 /nfs/dbraw/zinc/79/97/93/808799793.db2.gz PGKRPRINPOCUPZ-JTQLQIEISA-N -1 0 344.389 2.235 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000808733189 812839001 /nfs/dbraw/zinc/83/90/01/812839001.db2.gz YUBLACCOAYGCNJ-UHFFFAOYSA-N -1 0 329.312 2.447 20 5 EEBDRM COc1ccc([C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000346004600 939128462 /nfs/dbraw/zinc/12/84/62/939128462.db2.gz YZOSGJRRJCJGPQ-INIZCTEOSA-N -1 0 344.323 2.088 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 ZINC000581465991 939777935 /nfs/dbraw/zinc/77/79/35/939777935.db2.gz HFJBGRCVWAMSMR-CYBMUJFWSA-N -1 0 331.284 2.248 20 5 EEBDRM CC[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589555040 948780651 /nfs/dbraw/zinc/78/06/51/948780651.db2.gz CXTDNZIADREGQW-JTQLQIEISA-N -1 0 346.343 2.082 20 5 EEBDRM O=C([O-])CCCCC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001595034500 951387789 /nfs/dbraw/zinc/38/77/89/951387789.db2.gz YWHORCLNYZZJSS-UHFFFAOYSA-N -1 0 348.359 2.165 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001589435991 954687213 /nfs/dbraw/zinc/68/72/13/954687213.db2.gz SUSKDRNTITXLTM-SECBINFHSA-N -1 0 332.259 2.131 20 5 EEBDRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC001594536125 955575433 /nfs/dbraw/zinc/57/54/33/955575433.db2.gz LSVWUTXXIJZIAF-MNOVXSKESA-N -1 0 348.334 2.162 20 5 EEBDRM C[C@H](CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001589049501 955645214 /nfs/dbraw/zinc/64/52/14/955645214.db2.gz CIAYGMOQGFMTSA-VXGBXAGGSA-N -1 0 335.360 2.205 20 5 EEBDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001589220009 956763042 /nfs/dbraw/zinc/76/30/42/956763042.db2.gz JAHJHZKAACYNKA-HNNXBMFYSA-N -1 0 334.284 2.280 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)nc1 ZINC001574804060 957847310 /nfs/dbraw/zinc/84/73/10/957847310.db2.gz AOBZBUMLTMCTDC-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM COc1c(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001594045991 957923761 /nfs/dbraw/zinc/92/37/61/957923761.db2.gz KEVKRIADYOMFJT-ZDUSSCGKSA-N -1 0 348.286 2.298 20 5 EEBDRM Cc1cc(OCC(=O)NC2(C(=O)[O-])CCCCC2)ccc1[N+](=O)[O-] ZINC001594328543 958195991 /nfs/dbraw/zinc/19/59/91/958195991.db2.gz QJDDNCKHVUVMNJ-UHFFFAOYSA-N -1 0 336.344 2.186 20 5 EEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1(CC(=O)[O-])CCOCC1)CC2 ZINC001594331046 958219873 /nfs/dbraw/zinc/21/98/73/958219873.db2.gz GRUQMDKZKPOCQT-UHFFFAOYSA-N -1 0 348.355 2.064 20 5 EEBDRM C[C@H](OC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001573633079 959567319 /nfs/dbraw/zinc/56/73/19/959567319.db2.gz AVMRIWJHGVGOFC-VHRBIJSZSA-N -1 0 337.328 2.469 20 5 EEBDRM O=C([O-])/C=C\c1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)co1 ZINC001574665545 962503317 /nfs/dbraw/zinc/50/33/17/962503317.db2.gz HVYGSVUIGWIVFY-ARJAWSKDSA-N -1 0 328.280 2.489 20 5 EEBDRM O=C([O-])C1(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCC1 ZINC001605958306 972925003 /nfs/dbraw/zinc/92/50/03/972925003.db2.gz NNKWUZHYEBQFPG-UHFFFAOYSA-N -1 0 346.299 2.140 20 5 EEBDRM O=C([O-])C1(NCc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCCC1 ZINC001605961623 972934357 /nfs/dbraw/zinc/93/43/57/972934357.db2.gz IGHMMXDRDFWPMN-UHFFFAOYSA-N -1 0 332.316 2.132 20 5 EEBDRM O=C([O-])COc1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 ZINC001606291316 973693795 /nfs/dbraw/zinc/69/37/95/973693795.db2.gz IDRVPUKGUJGFIU-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM Nc1c(C(=O)N(CC(=O)[O-])CC2CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001605653679 974032586 /nfs/dbraw/zinc/03/25/86/974032586.db2.gz QBCFWKXWQGCLAQ-UHFFFAOYSA-N -1 0 343.339 2.267 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccn1 ZINC001592305161 977670246 /nfs/dbraw/zinc/67/02/46/977670246.db2.gz XTVYTWKPIHLKDY-INIZCTEOSA-N -1 0 347.302 2.249 20 5 EEBDRM C[C@H](CNC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1[N+](=O)[O-] ZINC001592697228 979152333 /nfs/dbraw/zinc/15/23/33/979152333.db2.gz NQGPSJFQKVZQFP-SNVBAGLBSA-N -1 0 329.312 2.222 20 5 EEBDRM CCCc1ncc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC001596088313 983407794 /nfs/dbraw/zinc/40/77/94/983407794.db2.gz FBQBATLBDFASRN-UHFFFAOYSA-N -1 0 333.300 2.164 20 5 EEBDRM CCOc1cc(CN(C)[C@H](COC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001597034154 986467258 /nfs/dbraw/zinc/46/72/58/986467258.db2.gz XBVCHSWAUAUZAN-CQSZACIVSA-N -1 0 340.376 2.304 20 5 EEBDRM C[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H]1CC(=O)[O-] ZINC001599852949 989042166 /nfs/dbraw/zinc/04/21/66/989042166.db2.gz OVQSPRWIMBYTEP-NXEZZACHSA-N -1 0 342.298 2.256 20 5 EEBDRM CCn1cc(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(C)n1 ZINC001597882860 989715440 /nfs/dbraw/zinc/71/54/40/989715440.db2.gz WJEZVEQIDPDJAK-UHFFFAOYSA-N -1 0 333.300 2.175 20 5 EEBDRM CC(C)(CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC001590708446 990460504 /nfs/dbraw/zinc/46/05/04/990460504.db2.gz HURMQLIYOWYAQA-UHFFFAOYSA-N -1 0 337.376 2.404 20 5 EEBDRM CC(C)(CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)OCCO ZINC001590774422 990578214 /nfs/dbraw/zinc/57/82/14/990578214.db2.gz WIOKGYQYCZDOEW-UHFFFAOYSA-N -1 0 332.740 2.146 20 5 EEBDRM CC(C)(CS(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001590812157 990642957 /nfs/dbraw/zinc/64/29/57/990642957.db2.gz IREGOWWINKUZKG-UHFFFAOYSA-N -1 0 337.737 2.068 20 5 EEBDRM CN(C[C@H]1CC=CCC1)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001598453521 991916158 /nfs/dbraw/zinc/91/61/58/991916158.db2.gz NEHMQDQTLXJWRR-LBPRGKRZSA-N -1 0 347.371 2.202 20 5 EEBDRM CC(C)C[C@H](NC(=O)COc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001591173665 991965630 /nfs/dbraw/zinc/96/56/30/991965630.db2.gz LOQJQXGYOIWESP-JTQLQIEISA-N -1 0 344.751 2.243 20 5 EEBDRM CC(C)Cc1noc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n1 ZINC001591497644 992634310 /nfs/dbraw/zinc/63/43/10/992634310.db2.gz DWKJMYKKXIETFP-INIZCTEOSA-N -1 0 348.359 2.266 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NCC2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170918 994028834 /nfs/dbraw/zinc/02/88/34/994028834.db2.gz QOIYIDATPSRXKV-JTQLQIEISA-N -1 0 335.360 2.400 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(Nc3cc(C(=O)[O-])n(C)c3)c2c1 ZINC001599637643 994312582 /nfs/dbraw/zinc/31/25/82/994312582.db2.gz GXKPUWFPYPOARC-UHFFFAOYSA-N -1 0 342.311 2.354 20 5 EEBDRM C[C@H](c1ccccc1)[C@H](O)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001593706261 996195520 /nfs/dbraw/zinc/19/55/20/996195520.db2.gz ORIYBHMFBHGIKE-QMTHXVAHSA-N -1 0 331.328 2.265 20 5 EEBDRM CC1(C)CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1[C@H]1CCCO1 ZINC001593936798 996921053 /nfs/dbraw/zinc/92/10/53/996921053.db2.gz VNHZGOVQYVOQBR-ZIAGYGMSSA-N -1 0 348.355 2.323 20 5 EEBDRM COCCC[C@@H](C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599226058 997761177 /nfs/dbraw/zinc/76/11/77/997761177.db2.gz YEORLVFLNAJMNT-BZNIZROVSA-N -1 0 338.360 2.074 20 5 EEBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594230735 998877378 /nfs/dbraw/zinc/87/73/78/998877378.db2.gz OZOPEIOFCMUYTJ-PHIMTYICSA-N -1 0 336.344 2.319 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000183969252 235274078 /nfs/dbraw/zinc/27/40/78/235274078.db2.gz HQCXZKRSIMXCIU-NEPJUHHUSA-N -1 0 335.360 2.014 20 5 EEBDRM CCC[C@](C)(NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000193203555 240058811 /nfs/dbraw/zinc/05/88/11/240058811.db2.gz URZOESXGBUFVMD-INIZCTEOSA-N -1 0 346.343 2.154 20 5 EEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262964027 245272932 /nfs/dbraw/zinc/27/29/32/245272932.db2.gz MFKGABWLEFLPFJ-INWMFGNUSA-N -1 0 332.356 2.239 20 5 EEBDRM C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000263157333 245347502 /nfs/dbraw/zinc/34/75/02/245347502.db2.gz XUHRQOBEIAIOCM-SMDDNHRTSA-N -1 0 335.360 2.109 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CC1CCSCC1 ZINC000264970742 247097806 /nfs/dbraw/zinc/09/78/06/247097806.db2.gz QYUJJCBGJRKKIT-UHFFFAOYSA-N -1 0 334.394 2.155 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)c([N+](=O)[O-])c1 ZINC000088330059 255757133 /nfs/dbraw/zinc/75/71/33/255757133.db2.gz RQRKKIWSTGQQED-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM COC(=O)c1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])oc1C ZINC000271245204 256224616 /nfs/dbraw/zinc/22/46/16/256224616.db2.gz FVXVTELMQMQGSZ-UHFFFAOYSA-N -1 0 348.311 2.261 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(Oc2ccccn2)CC1 ZINC000356821134 141030827 /nfs/dbraw/zinc/03/08/27/141030827.db2.gz KEGQDHFDQDLTLL-UHFFFAOYSA-N -1 0 343.339 2.379 20 5 EEBDRM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000119563397 292246717 /nfs/dbraw/zinc/24/67/17/292246717.db2.gz SGIYTYLPHLNHOX-AWEZNQCLSA-N -1 0 345.355 2.460 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000263157814 152390363 /nfs/dbraw/zinc/39/03/63/152390363.db2.gz FXIJIFLKFSMTHA-DTWKUNHWSA-N -1 0 326.736 2.431 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263157354 152390699 /nfs/dbraw/zinc/39/06/99/152390699.db2.gz HYZLGEYYGYTDTR-CMPLNLGQSA-N -1 0 347.371 2.494 20 5 EEBDRM C[C@H](CN(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263161251 152391276 /nfs/dbraw/zinc/39/12/76/152391276.db2.gz CAIRDKRHOYUCEK-SECBINFHSA-N -1 0 343.767 2.153 20 5 EEBDRM CC(C)Cc1ncc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000355885455 153186976 /nfs/dbraw/zinc/18/69/76/153186976.db2.gz RMALJLCFLOMHII-UHFFFAOYSA-N -1 0 336.373 2.384 20 5 EEBDRM COc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000324170708 160540223 /nfs/dbraw/zinc/54/02/23/160540223.db2.gz FULFVYMOHJHHBR-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM O=C(CCNC(=O)c1ccsc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089540787 159182598 /nfs/dbraw/zinc/18/25/98/159182598.db2.gz KSCPFJOOGRAPHN-UHFFFAOYSA-N -1 0 335.341 2.121 20 5 EEBDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000178200233 159896703 /nfs/dbraw/zinc/89/67/03/159896703.db2.gz GBAXYWQKJDENGS-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CCC[C@H](NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1)c1nnn[n-]1 ZINC000184843360 160018703 /nfs/dbraw/zinc/01/87/03/160018703.db2.gz DLUHAPPJCSJVCM-OCCSQVGLSA-N -1 0 346.391 2.334 20 5 EEBDRM CC(C)c1nnc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000345654456 161320011 /nfs/dbraw/zinc/32/00/11/161320011.db2.gz YACXKFSAYITQMC-UHFFFAOYSA-N -1 0 336.373 2.248 20 5 EEBDRM COCC[C@@H](Cc1ccco1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000345979657 161347407 /nfs/dbraw/zinc/34/74/07/161347407.db2.gz OUNSBDIFTPTVLB-LBPRGKRZSA-N -1 0 334.328 2.271 20 5 EEBDRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000355749945 163289282 /nfs/dbraw/zinc/28/92/82/163289282.db2.gz MEECEIHVCPKKGU-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000263157818 297215771 /nfs/dbraw/zinc/21/57/71/297215771.db2.gz FXIJIFLKFSMTHA-RKDXNWHRSA-N -1 0 326.736 2.431 20 5 EEBDRM O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272639682 269002130 /nfs/dbraw/zinc/00/21/30/269002130.db2.gz DHCMTXPBBYGXTO-XHDPSFHLSA-N -1 0 338.385 2.085 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H](OCc2ccccn2)C1 ZINC000272667511 269006826 /nfs/dbraw/zinc/00/68/26/269006826.db2.gz JJJHZMMLZNQBMN-INIZCTEOSA-N -1 0 343.339 2.127 20 5 EEBDRM Cn1cc(C2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)cn1 ZINC000272611785 274177450 /nfs/dbraw/zinc/17/74/50/274177450.db2.gz ZNPRUDLSSMFJHC-UHFFFAOYSA-N -1 0 330.344 2.054 20 5 EEBDRM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[nH]1 ZINC000277933151 274325051 /nfs/dbraw/zinc/32/50/51/274325051.db2.gz RZWDDMSSUOUCBD-DTWKUNHWSA-N -1 0 333.348 2.423 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c1C ZINC000288260143 275040038 /nfs/dbraw/zinc/04/00/38/275040038.db2.gz CIVGYOGDVMMGAP-QMMMGPOBSA-N -1 0 326.296 2.441 20 5 EEBDRM O=C(C[C@@H]1COCCN1Cc1cc([O-])ccc1[N+](=O)[O-])c1ccco1 ZINC000339108275 279791796 /nfs/dbraw/zinc/79/17/96/279791796.db2.gz NWPIHOUXDZUMAZ-CYBMUJFWSA-N -1 0 346.339 2.367 20 5 EEBDRM COCc1csc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000115928321 293324778 /nfs/dbraw/zinc/32/47/78/293324778.db2.gz QHQZSWUEFWYFMK-UHFFFAOYSA-N -1 0 343.386 2.307 20 5 EEBDRM CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000295312773 293680019 /nfs/dbraw/zinc/68/00/19/293680019.db2.gz CMFWRNUTVZOFGS-QMMMGPOBSA-N -1 0 336.266 2.388 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000263254192 297344422 /nfs/dbraw/zinc/34/44/22/297344422.db2.gz TXUFROOHRXRZQE-SFYZADRCSA-N -1 0 344.165 2.299 20 5 EEBDRM Cc1c(CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000326486991 311603852 /nfs/dbraw/zinc/60/38/52/311603852.db2.gz XCWROXQXBUPOLQ-GFCCVEGCSA-N -1 0 335.360 2.300 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)c([N+](=O)[O-])c1 ZINC000414382070 313006942 /nfs/dbraw/zinc/00/69/42/313006942.db2.gz KEUPHSVPLYWXHV-UHFFFAOYSA-N -1 0 339.329 2.270 20 5 EEBDRM O=C(NCc1cccc2c1OCCCO2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436863589 315007329 /nfs/dbraw/zinc/00/73/29/315007329.db2.gz JKHRURGAEFMQDP-UHFFFAOYSA-N -1 0 344.323 2.392 20 5 EEBDRM COc1ccc(OC)c(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436932827 315014348 /nfs/dbraw/zinc/01/43/48/315014348.db2.gz FHJRYWXYOQUOKR-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccsc1 ZINC000436939608 315014388 /nfs/dbraw/zinc/01/43/88/315014388.db2.gz PFZSANANKZCERB-LBPRGKRZSA-N -1 0 336.325 2.006 20 5 EEBDRM O=C(Nc1cccc(N2CCNC2=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436952545 315015935 /nfs/dbraw/zinc/01/59/35/315015935.db2.gz JOKCNKRVCOHTLO-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM COC(=O)[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc21 ZINC000436966526 315017096 /nfs/dbraw/zinc/01/70/96/315017096.db2.gz VJUMQJZCUAGAHO-LBPRGKRZSA-N -1 0 342.307 2.217 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c(OC)c1 ZINC000444377869 315297893 /nfs/dbraw/zinc/29/78/93/315297893.db2.gz YSHDAWAGHROWGI-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM CC[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000516766645 316592274 /nfs/dbraw/zinc/59/22/74/316592274.db2.gz PRZICHYBVFVWNP-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000519764876 316823073 /nfs/dbraw/zinc/82/30/73/316823073.db2.gz IZEXWCOTEOJCKA-CABZTGNLSA-N -1 0 342.373 2.150 20 5 EEBDRM O=C([O-])c1cc(NS(=O)(=O)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000547870180 318331120 /nfs/dbraw/zinc/33/11/20/318331120.db2.gz FGSFQBVERWYOBI-UHFFFAOYSA-N -1 0 336.325 2.235 20 5 EEBDRM C/C=C\C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000559713692 318755006 /nfs/dbraw/zinc/75/50/06/318755006.db2.gz QRORCSATBUUWIE-PYLYLYNFSA-N -1 0 335.360 2.323 20 5 EEBDRM C[C@H](CCC1CC1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000563531957 319020037 /nfs/dbraw/zinc/02/00/37/319020037.db2.gz DGTAOPIZQMXOMA-SECBINFHSA-N -1 0 342.373 2.150 20 5 EEBDRM COCCN(CC(F)F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565016627 319138952 /nfs/dbraw/zinc/13/89/52/319138952.db2.gz ZWNLGVXLSWCOPD-UHFFFAOYSA-N -1 0 338.694 2.308 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCO[C@@H](CF)C1 ZINC000565025453 319140213 /nfs/dbraw/zinc/14/02/13/319140213.db2.gz RPSDVBPHMUMSSE-VIFPVBQESA-N -1 0 332.715 2.154 20 5 EEBDRM O=C([O-])c1cnc(N[C@H]2CCO[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000566291429 319270140 /nfs/dbraw/zinc/27/01/40/319270140.db2.gz RAEMLWPQKWVLNO-JSGCOSHPSA-N -1 0 344.327 2.415 20 5 EEBDRM Cn1cc(N2CCC[C@@H](Nc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)cn1 ZINC000567979228 319440864 /nfs/dbraw/zinc/44/08/64/319440864.db2.gz DAPWRJXLSIUNSX-GFCCVEGCSA-N -1 0 345.359 2.107 20 5 EEBDRM Cc1cc(N2CCC[C@@H](Cn3ccnn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571288079 319741904 /nfs/dbraw/zinc/74/19/04/319741904.db2.gz NMYQDGUCHBKOPH-GFCCVEGCSA-N -1 0 345.359 2.110 20 5 EEBDRM CC(C)Oc1nc(N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000574652176 320045239 /nfs/dbraw/zinc/04/52/39/320045239.db2.gz YLIKURSDEGLHRA-MEDUHNTESA-N -1 0 335.360 2.468 20 5 EEBDRM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000576745499 320200137 /nfs/dbraw/zinc/20/01/37/320200137.db2.gz MNZGJORDSJNIII-UHFFFAOYSA-N -1 0 343.311 2.060 20 5 EEBDRM CCC(CC)CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000577370047 320251809 /nfs/dbraw/zinc/25/18/09/320251809.db2.gz UFCUFGZNCYJHDK-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM Cc1cc(N2CCC[C@H](n3cncn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578445682 320315194 /nfs/dbraw/zinc/31/51/94/320315194.db2.gz OBWSGYXFPKXOBT-NSHDSACASA-N -1 0 331.332 2.034 20 5 EEBDRM C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC000580428532 324060923 /nfs/dbraw/zinc/06/09/23/324060923.db2.gz QVXFAZJJBQTZIS-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@@](C)(CC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000580560626 324088709 /nfs/dbraw/zinc/08/87/09/324088709.db2.gz PWBKUSQBCJKQCS-AWEZNQCLSA-N -1 0 344.389 2.071 20 5 EEBDRM C[C@@H](CC(C)(C)C)NS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581947095 324349159 /nfs/dbraw/zinc/34/91/59/324349159.db2.gz MTNAVOGOZCKBRZ-VIFPVBQESA-N -1 0 344.389 2.396 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@]2(CO)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000583633761 324701972 /nfs/dbraw/zinc/70/19/72/324701972.db2.gz UZDDTJGBDXPOQU-SUMWQHHRSA-N -1 0 343.339 2.266 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)c1 ZINC000351492747 465182174 /nfs/dbraw/zinc/18/21/74/465182174.db2.gz SGRPIGWBROKTHE-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM COC(=O)c1sc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc1C ZINC000356315962 465308718 /nfs/dbraw/zinc/30/87/18/465308718.db2.gz TTWANORFEHLLRX-UHFFFAOYSA-N -1 0 337.313 2.104 20 5 EEBDRM O=C(CCC1CCCC1)NCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531525 462690744 /nfs/dbraw/zinc/69/07/44/462690744.db2.gz GMCCQSXFGCFZFU-UHFFFAOYSA-N -1 0 335.360 2.326 20 5 EEBDRM Cc1c([N-]c2ncc([N+](=O)[O-])c(N)n2)cnn1-c1ccccc1F ZINC000154347545 462757774 /nfs/dbraw/zinc/75/77/74/462757774.db2.gz KXMPZJPGTXUHCG-UHFFFAOYSA-N -1 0 329.295 2.344 20 5 EEBDRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000076023418 462788823 /nfs/dbraw/zinc/78/88/23/462788823.db2.gz CQYOPMNRFNFXMP-UHFFFAOYSA-N -1 0 343.390 2.014 20 5 EEBDRM CC(C)Oc1ncccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077221908 462955542 /nfs/dbraw/zinc/95/55/42/462955542.db2.gz WHFBNESAVKKNLN-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM CC1(C)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000568399293 468331619 /nfs/dbraw/zinc/33/16/19/468331619.db2.gz IJYMEXNLZIKRRI-VIFPVBQESA-N -1 0 349.265 2.234 20 5 EEBDRM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000028492814 463226271 /nfs/dbraw/zinc/22/62/71/463226271.db2.gz VOPJAGISWZNZNP-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM Cc1ccnc(N(C)Cc2nc(=O)c3sccc3[n-]2)c1[N+](=O)[O-] ZINC000160559243 463350391 /nfs/dbraw/zinc/35/03/91/463350391.db2.gz XFBDUMJBUVCDBJ-UHFFFAOYSA-N -1 0 331.357 2.233 20 5 EEBDRM Cn1ccnc1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000150929002 463453773 /nfs/dbraw/zinc/45/37/73/463453773.db2.gz XHSANVIHJUCPPJ-LBPRGKRZSA-N -1 0 344.371 2.129 20 5 EEBDRM O=C(NCCOc1ccc(Cl)cn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164944612 463636045 /nfs/dbraw/zinc/63/60/45/463636045.db2.gz MJXCCGAPBRCTFV-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)cc1F ZINC000165245689 463641783 /nfs/dbraw/zinc/64/17/83/463641783.db2.gz GEJMTPZUFDXNNC-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM COc1ccc(C(=O)NCC2(C(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC000261741457 463845260 /nfs/dbraw/zinc/84/52/60/463845260.db2.gz SWSTYJKNEHNWCV-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000261765861 463852012 /nfs/dbraw/zinc/85/20/12/463852012.db2.gz WHFUESHAPOQUKT-UHFFFAOYSA-N -1 0 346.343 2.154 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262346366 464007298 /nfs/dbraw/zinc/00/72/98/464007298.db2.gz ANSNGCNDPQUGIF-JTQLQIEISA-N -1 0 326.374 2.399 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000263282841 464077423 /nfs/dbraw/zinc/07/74/23/464077423.db2.gz XOWWGOMVDOVTQA-ONGXEEELSA-N -1 0 336.344 2.237 20 5 EEBDRM Cc1cc(N2CC[C@H](c3nccn3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568985562 468418182 /nfs/dbraw/zinc/41/81/82/468418182.db2.gz BIFQPQIJHWBEIT-NSHDSACASA-N -1 0 330.344 2.329 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1cccnc1 ZINC000176333714 464751299 /nfs/dbraw/zinc/75/12/99/464751299.db2.gz XYECLCDIZPBHFZ-CQSZACIVSA-N -1 0 330.344 2.260 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ncnn1C(C)(C)C ZINC000282285447 464764209 /nfs/dbraw/zinc/76/42/09/464764209.db2.gz KCXAZPVXZCFELQ-UHFFFAOYSA-N -1 0 339.377 2.051 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(c2ccncn2)CC1 ZINC000298768214 465500011 /nfs/dbraw/zinc/50/00/11/465500011.db2.gz ZQAQAZFOSQSFNM-UHFFFAOYSA-N -1 0 328.328 2.110 20 5 EEBDRM O=C([O-])C[C@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000593921875 468435379 /nfs/dbraw/zinc/43/53/79/468435379.db2.gz KUIXFAHEOQRLSI-GFCCVEGCSA-N -1 0 336.344 2.220 20 5 EEBDRM Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000356760498 465523976 /nfs/dbraw/zinc/52/39/76/465523976.db2.gz BKGGDBWSULIBPP-UHFFFAOYSA-N -1 0 338.323 3.047 20 5 EEBDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000356971049 465668877 /nfs/dbraw/zinc/66/88/77/465668877.db2.gz MILVEPPHZZRFKY-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CCCCNC(=O)C1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000346787666 466154495 /nfs/dbraw/zinc/15/44/95/466154495.db2.gz DECNWKNFFZIKPH-UHFFFAOYSA-N -1 0 349.387 2.069 20 5 EEBDRM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC000367178526 466174293 /nfs/dbraw/zinc/17/42/93/466174293.db2.gz JRCPTAZGHLBYHJ-UHFFFAOYSA-N -1 0 340.336 2.068 20 5 EEBDRM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000361986615 466462047 /nfs/dbraw/zinc/46/20/47/466462047.db2.gz QQDYEIXYOYUDCB-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000401352521 467460029 /nfs/dbraw/zinc/46/00/29/467460029.db2.gz YHXAZIKAFIJSAF-JTQLQIEISA-N -1 0 344.389 2.071 20 5 EEBDRM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000436513956 467542654 /nfs/dbraw/zinc/54/26/54/467542654.db2.gz NZIYQJPALYQMCB-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H](OCC(F)(F)F)C1 ZINC000531773332 468074493 /nfs/dbraw/zinc/07/44/93/468074493.db2.gz DIDZTPVIGKSKMU-VIFPVBQESA-N -1 0 348.277 2.484 20 5 EEBDRM C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594460882 468595633 /nfs/dbraw/zinc/59/56/33/468595633.db2.gz AVBFBYYAGXNXPK-LEWSCRJBSA-N -1 0 334.372 2.389 20 5 EEBDRM COC(=O)C[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000582787613 468595750 /nfs/dbraw/zinc/59/57/50/468595750.db2.gz NOXFDTSUVBIOLN-SECBINFHSA-N -1 0 342.735 2.122 20 5 EEBDRM C[C@@H]1CCC[C@H]1CNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583088028 468642543 /nfs/dbraw/zinc/64/25/43/468642543.db2.gz QTPZRRYKZQIDHG-ZJUUUORDSA-N -1 0 342.373 2.008 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592207512 468655200 /nfs/dbraw/zinc/65/52/00/468655200.db2.gz QMELRFBJFLHAOT-KGLIPLIRSA-N -1 0 349.387 2.470 20 5 EEBDRM CC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1O ZINC000583360206 468683662 /nfs/dbraw/zinc/68/36/62/468683662.db2.gz VBKNMZPTYPSCIJ-UHFFFAOYSA-N -1 0 336.325 2.304 20 5 EEBDRM CCO[C@@H]1C[C@](O)(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1(C)C ZINC000583755964 468751278 /nfs/dbraw/zinc/75/12/78/468751278.db2.gz LDXFEBCYTGDLGW-CJNGLKHVSA-N -1 0 338.360 2.271 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(c3ccon3)CC2)n1 ZINC000595280324 468799287 /nfs/dbraw/zinc/79/92/87/468799287.db2.gz CPSLFXKZIHMRFC-UHFFFAOYSA-N -1 0 332.316 2.368 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC([C@@H]3CCOC3)CC2)n1 ZINC000592978737 468832396 /nfs/dbraw/zinc/83/23/96/468832396.db2.gz WNMOXWODAIUCTI-GFCCVEGCSA-N -1 0 335.360 2.249 20 5 EEBDRM Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2(C)C)cn1 ZINC000584664888 468911279 /nfs/dbraw/zinc/91/12/79/468911279.db2.gz TWAXAZMKJRCPJG-AWEZNQCLSA-N -1 0 344.371 2.300 20 5 EEBDRM O=C(NCCN1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000610876980 469100336 /nfs/dbraw/zinc/10/03/36/469100336.db2.gz QELLDFCZZBRSPQ-UHFFFAOYSA-N -1 0 327.340 2.046 20 5 EEBDRM Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c2cccc([N+](=O)[O-])c2n1 ZINC000595977789 469105381 /nfs/dbraw/zinc/10/53/81/469105381.db2.gz IEXIZIBTZJCDRQ-BHYNMZESSA-N -1 0 331.328 2.087 20 5 EEBDRM Cc1ccc(NCCCNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c([N+](=O)[O-])c1 ZINC000595989071 469107188 /nfs/dbraw/zinc/10/71/88/469107188.db2.gz LXJGMEYPYYPCSJ-QGZVFWFLSA-N -1 0 349.387 2.322 20 5 EEBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000595998835 469110800 /nfs/dbraw/zinc/11/08/00/469110800.db2.gz ZBYOZXBCQRJEBE-UHFFFAOYSA-N -1 0 338.360 2.323 20 5 EEBDRM CC1(CNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CCCC1 ZINC000563073625 469163270 /nfs/dbraw/zinc/16/32/70/469163270.db2.gz YLCURFQCDGXEQO-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000563206626 469199403 /nfs/dbraw/zinc/19/94/03/469199403.db2.gz RLJGDBKUJYGKGZ-ZRJCITRHSA-N -1 0 349.387 2.454 20 5 EEBDRM O=C(CCn1ccccc1=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000611484521 469259532 /nfs/dbraw/zinc/25/95/32/469259532.db2.gz JUZLCTJNDYVYAO-UHFFFAOYSA-N -1 0 337.719 2.144 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000603962644 469449651 /nfs/dbraw/zinc/44/96/51/469449651.db2.gz NNXBHDCYGYDJRH-UHFFFAOYSA-N -1 0 329.341 2.126 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000609171880 469899612 /nfs/dbraw/zinc/89/96/12/469899612.db2.gz PKNXBVODUROBFR-UHFFFAOYSA-N -1 0 340.295 2.499 20 5 EEBDRM CCCC[C@@H](COC)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000129021658 528831872 /nfs/dbraw/zinc/83/18/72/528831872.db2.gz MFEHJEOMSYHAGZ-JTQLQIEISA-N -1 0 334.369 2.217 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2noc(C)c2C)c([N+](=O)[O-])c1 ZINC000451047707 536879725 /nfs/dbraw/zinc/87/97/25/536879725.db2.gz ITJYEGGQEJBXGG-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM O=C([O-])c1ccnc(NCCC(=O)Nc2ccccc2)c1[N+](=O)[O-] ZINC000738459047 578015977 /nfs/dbraw/zinc/01/59/77/578015977.db2.gz UTUYRZHIVQOBIU-UHFFFAOYSA-N -1 0 330.300 2.129 20 5 EEBDRM C[C@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000739053390 576071216 /nfs/dbraw/zinc/07/12/16/576071216.db2.gz CWHKLGOGGFAMJJ-QMMMGPOBSA-N -1 0 326.330 2.099 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000738068676 576363996 /nfs/dbraw/zinc/36/39/96/576363996.db2.gz NTZYAHFOTVEFSN-CYBMUJFWSA-N -1 0 342.307 2.432 20 5 EEBDRM COc1cc(CNCc2ccc(C(=O)[O-])o2)c([N+](=O)[O-])cc1OC ZINC000737886280 577196554 /nfs/dbraw/zinc/19/65/54/577196554.db2.gz MUUNQRDNQFUZQZ-UHFFFAOYSA-N -1 0 336.300 2.193 20 5 EEBDRM O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000776203579 577454531 /nfs/dbraw/zinc/45/45/31/577454531.db2.gz BXGWNBLUZKPBIB-UHFFFAOYSA-N -1 0 333.256 2.226 20 5 EEBDRM O=C(NCc1cccc2c1OCCO2)c1cccc([N+](=O)[O-])c1[O-] ZINC000769017593 577567430 /nfs/dbraw/zinc/56/74/30/577567430.db2.gz RUITZXLZTDMDHQ-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM COc1c(C)cnc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC000769496993 577579233 /nfs/dbraw/zinc/57/92/33/577579233.db2.gz NVKVFYXRDXHQJX-UHFFFAOYSA-N -1 0 331.328 2.251 20 5 EEBDRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000761422230 577683513 /nfs/dbraw/zinc/68/35/13/577683513.db2.gz ZIZAVLAHOMPZJK-SNVBAGLBSA-N -1 0 344.389 2.235 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000750675180 577741074 /nfs/dbraw/zinc/74/10/74/577741074.db2.gz QNWOYXOXNSZQPE-SNVBAGLBSA-N -1 0 326.374 2.226 20 5 EEBDRM O=C([O-])NCCC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000739940307 578074476 /nfs/dbraw/zinc/07/44/76/578074476.db2.gz RSMHVHLMDCXPPQ-UHFFFAOYSA-N -1 0 349.265 2.143 20 5 EEBDRM O=C([O-])c1ccc(-c2nnn(CCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000740099449 578080785 /nfs/dbraw/zinc/08/07/85/578080785.db2.gz YOBMSVFDLSTVNV-UHFFFAOYSA-N -1 0 339.311 2.189 20 5 EEBDRM CC(C)[C@H]1CCCN1c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000736397124 578201350 /nfs/dbraw/zinc/20/13/50/578201350.db2.gz ZZECALGAMVBGQB-GFCCVEGCSA-N -1 0 335.360 2.034 20 5 EEBDRM CC(=O)Nc1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000737545918 578263298 /nfs/dbraw/zinc/26/32/98/578263298.db2.gz YSEWUZAZUJDJIL-UHFFFAOYSA-N -1 0 330.300 2.259 20 5 EEBDRM Cc1nn(C)c(C)c1CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000833013498 600812009 /nfs/dbraw/zinc/81/20/09/600812009.db2.gz CDEMAMDZQOGXAE-UHFFFAOYSA-N -1 0 349.303 2.164 20 5 EEBDRM COC[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC000831655348 601062118 /nfs/dbraw/zinc/06/21/18/601062118.db2.gz LKEPKCWOAQRILC-GFCCVEGCSA-N -1 0 334.284 2.004 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NCCC2CCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704215 601562764 /nfs/dbraw/zinc/56/27/64/601562764.db2.gz VOLQKSBIGGHNKW-JTQLQIEISA-N -1 0 335.360 2.400 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCCO[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000833196727 601680397 /nfs/dbraw/zinc/68/03/97/601680397.db2.gz CTLJKFWVUNKYCT-DXTPNHAXSA-N -1 0 336.344 2.300 20 5 EEBDRM O=C([O-])c1cccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000821432110 601882760 /nfs/dbraw/zinc/88/27/60/601882760.db2.gz SIFSSUDOMPJZFC-UHFFFAOYSA-N -1 0 343.339 2.335 20 5 EEBDRM COC(=O)C1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000831113942 602250647 /nfs/dbraw/zinc/25/06/47/602250647.db2.gz KXPCDOUQMKMEGA-UHFFFAOYSA-N -1 0 342.735 2.336 20 5 EEBDRM O=C([O-])CC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000093679848 602314537 /nfs/dbraw/zinc/31/45/37/602314537.db2.gz PHWBSVDZNITPEG-UHFFFAOYSA-N -1 0 344.165 2.443 20 5 EEBDRM CC[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000833644682 605016159 /nfs/dbraw/zinc/01/61/59/605016159.db2.gz DCGICHCAULWRTE-SNVBAGLBSA-N -1 0 346.133 2.306 20 5 EEBDRM O=C([O-])Cc1ccc(OC(=O)COc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000833776463 605802716 /nfs/dbraw/zinc/80/27/16/605802716.db2.gz JPVJDSXKHICHHM-UHFFFAOYSA-N -1 0 349.270 2.345 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000263389622 678191189 /nfs/dbraw/zinc/19/11/89/678191189.db2.gz YKYZVCDHWOCAHH-IUCAKERBSA-N -1 0 326.736 2.431 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cncc(Cl)n1 ZINC000185922485 685372392 /nfs/dbraw/zinc/37/23/92/685372392.db2.gz ZQPPSFFFJOPGNH-UHFFFAOYSA-N -1 0 349.155 2.492 20 5 EEBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000121782789 1201665971 /nfs/dbraw/zinc/66/59/71/1201665971.db2.gz WMNIHTDHOJAIGB-KOLCDFICSA-N -1 0 348.808 2.078 20 5 EEBDRM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885326 1277380198 /nfs/dbraw/zinc/38/01/98/1277380198.db2.gz CZZLMMJHRQMKIP-VIFPVBQESA-N -1 0 332.353 2.365 20 5 EEBDRM CC(C)OCCOCCOCCOc1cc([O-])ccc1[N+](=O)[O-] ZINC001225490434 1301021659 /nfs/dbraw/zinc/02/16/59/1301021659.db2.gz IHUNQIALFJHCGS-UHFFFAOYSA-N -1 0 329.349 2.137 20 5 EEBDRM CCCCOC[C@@H](C)OC[C@@H](C)Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228141033 1302123229 /nfs/dbraw/zinc/12/32/29/1302123229.db2.gz OUURRQFBLCHNDP-GHMZBOCLSA-N -1 0 329.353 2.080 20 5 EEBDRM CCOC(=O)[C@H]1CCC[C@@H]1Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228602986 1302332248 /nfs/dbraw/zinc/33/22/48/1302332248.db2.gz HTLKNHDZODNKRX-UWVGGRQHSA-N -1 0 337.332 2.078 20 5 EEBDRM CCC[C@H](CC(=O)OC)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228604979 1302335124 /nfs/dbraw/zinc/33/51/24/1302335124.db2.gz ZFMIHEZTRDKFGZ-SECBINFHSA-N -1 0 325.321 2.078 20 5 EEBDRM CCOC(=O)[C@H]1CCC[C@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231076945 1303613532 /nfs/dbraw/zinc/61/35/32/1303613532.db2.gz QEDWIJHDNNRHEI-YUMQZZPRSA-N -1 0 345.739 2.245 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)nn1C ZINC000842586050 1315726520 /nfs/dbraw/zinc/72/65/20/1315726520.db2.gz ILEMTRRWTPCQCS-UHFFFAOYSA-N -1 0 338.389 2.254 20 5 EEBDRM O=[N+]([O-])c1cccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001157156888 1318443884 /nfs/dbraw/zinc/44/38/84/1318443884.db2.gz PXHJLKNGZLCQPP-UHFFFAOYSA-N -1 0 335.256 2.075 20 5 EEBDRM O=C([O-])[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001608543384 1351712873 /nfs/dbraw/zinc/71/28/73/1351712873.db2.gz LIZJLAUJJSQOFH-ZYHUDNBSSA-N -1 0 331.328 2.292 20 5 EEBDRM CCc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2N)sc1C(=O)[O-] ZINC001605855144 1351237900 /nfs/dbraw/zinc/23/79/00/1351237900.db2.gz SEXOVCOEIRQSSU-UHFFFAOYSA-N -1 0 336.329 2.146 20 5 EEBDRM O=C([O-])C1(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001608575107 1351719510 /nfs/dbraw/zinc/71/95/10/1351719510.db2.gz CWBWZLFLCNGELN-UHFFFAOYSA-N -1 0 333.300 2.057 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCc2noc3c2COCC3)c([N+](=O)[O-])c1 ZINC001608660813 1351736776 /nfs/dbraw/zinc/73/67/76/1351736776.db2.gz BPOWREVKHWVORA-DUXPYHPUSA-N -1 0 345.311 2.365 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2c[nH]nc2[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001608856018 1351779780 /nfs/dbraw/zinc/77/97/80/1351779780.db2.gz MKYXMMOUISVTLA-LBPRGKRZSA-N -1 0 346.299 2.120 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCOc3cc(O)ccc3C2)c1 ZINC001608914556 1351792931 /nfs/dbraw/zinc/79/29/31/1351792931.db2.gz XEXWHJUFFNJEMJ-UHFFFAOYSA-N -1 0 344.323 2.393 20 5 EEBDRM O=C([O-])c1cccc2c1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001608941385 1351799628 /nfs/dbraw/zinc/79/96/28/1351799628.db2.gz ZBHWERDZWWJLFF-UHFFFAOYSA-N -1 0 326.308 2.425 20 5 EEBDRM O=C([O-])C1(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC001609017393 1351815540 /nfs/dbraw/zinc/81/55/40/1351815540.db2.gz LXKWXQWBYYGXSK-UHFFFAOYSA-N -1 0 344.117 2.379 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)C(C)(C)C ZINC001326328674 1334069472 /nfs/dbraw/zinc/06/94/72/1334069472.db2.gz HYORKNLLNOWEBM-LBPRGKRZSA-N -1 0 342.417 2.408 20 5 EEBDRM CC(=O)N1CC[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001609591084 1352029412 /nfs/dbraw/zinc/02/94/12/1352029412.db2.gz GYAYLDSYMQTKLG-VIFPVBQESA-N -1 0 341.751 2.227 20 5 EEBDRM C[C@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001609873690 1352108380 /nfs/dbraw/zinc/10/83/80/1352108380.db2.gz PBHVWZVPHWKMIX-LLVKDONJSA-N -1 0 349.387 2.282 20 5 EEBDRM CCC1(CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)COC1 ZINC001609945653 1352126275 /nfs/dbraw/zinc/12/62/75/1352126275.db2.gz WBOIKKSXFBQWMK-UHFFFAOYSA-N -1 0 337.332 2.150 20 5 EEBDRM CO[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C(C)C ZINC001610227759 1352190100 /nfs/dbraw/zinc/19/01/00/1352190100.db2.gz PBQSTLITWAIQBO-ZDUSSCGKSA-N -1 0 339.348 2.394 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1CCNc1c(C)cncc1[N+](=O)[O-] ZINC001610282331 1352199216 /nfs/dbraw/zinc/19/92/16/1352199216.db2.gz FLSKSMFUQUUNBL-UHFFFAOYSA-N -1 0 331.328 2.082 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)OCCCC(=O)C(=O)[O-] ZINC001610464895 1352227140 /nfs/dbraw/zinc/22/71/40/1352227140.db2.gz DMNOJAUKKKYTFM-UHFFFAOYSA-N -1 0 329.692 2.147 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N(C)c2ncc(C(=O)[O-])s2)c1F ZINC001610478644 1352229366 /nfs/dbraw/zinc/22/93/66/1352229366.db2.gz RWHVKHVJWMXBTR-UHFFFAOYSA-N -1 0 339.304 2.474 20 5 EEBDRM NC(=O)C[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001610636867 1352256465 /nfs/dbraw/zinc/25/64/65/1352256465.db2.gz KOTGHEOOEBHEKD-QMMMGPOBSA-N -1 0 341.751 2.038 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001610742392 1352267308 /nfs/dbraw/zinc/26/73/08/1352267308.db2.gz PIUXWVNZABISHU-GHMZBOCLSA-N -1 0 328.271 2.056 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2cc(F)ccc2Cl)c1=O ZINC001610817145 1352279588 /nfs/dbraw/zinc/27/95/88/1352279588.db2.gz FBOZWACVAYPPAX-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])c1cnc(NCC[S@@](=O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001610863588 1352287252 /nfs/dbraw/zinc/28/72/52/1352287252.db2.gz NDWDMQSQGHREGI-XMMPIXPASA-N -1 0 349.368 2.049 20 5 EEBDRM O=C([O-])c1coc(C(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)c1 ZINC001610866038 1352287574 /nfs/dbraw/zinc/28/75/74/1352287574.db2.gz BAPOMRNSOKDKRI-UHFFFAOYSA-N -1 0 342.263 2.084 20 5 EEBDRM O=C([O-])c1ccccc1CCOC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001610881592 1352289963 /nfs/dbraw/zinc/28/99/63/1352289963.db2.gz CQJNEFUYUOJQGH-UHFFFAOYSA-N -1 0 331.280 2.398 20 5 EEBDRM CC(C)(CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C(F)(F)F ZINC001589292750 1348980071 /nfs/dbraw/zinc/98/00/71/1348980071.db2.gz RXJZQTLTVYOZSW-UHFFFAOYSA-N -1 0 331.258 2.170 20 5 EEBDRM Cc1c(NC(=O)c2c(Cl)cnn2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600045515 1349961406 /nfs/dbraw/zinc/96/14/06/1349961406.db2.gz ITAQBFZWWPHWQI-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM Cc1cc(NCC(=O)NCc2ccccc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600277816 1350009358 /nfs/dbraw/zinc/00/93/58/1350009358.db2.gz BTDKASOYVRUTRU-UHFFFAOYSA-N -1 0 343.339 2.330 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)Nc2nn(C)cc2C(=O)[O-])cc1Cl ZINC001600303115 1350015167 /nfs/dbraw/zinc/01/51/67/1350015167.db2.gz WSGWBODAOBTIST-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM Cc1nn(CN2CCc3ccc(C(=O)[O-])cc3C2)c(C)c1[N+](=O)[O-] ZINC001600788717 1350137419 /nfs/dbraw/zinc/13/74/19/1350137419.db2.gz FDSLGJPUDSJFRL-UHFFFAOYSA-N -1 0 330.344 2.122 20 5 EEBDRM Cn1cnc(CCCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)n1 ZINC001600990541 1350184413 /nfs/dbraw/zinc/18/44/13/1350184413.db2.gz XEJUIPPHIMZERA-UHFFFAOYSA-N -1 0 339.739 2.120 20 5 EEBDRM Nc1c(C(=O)O[C@@H](C(=O)[O-])c2ccsc2)cc(F)cc1[N+](=O)[O-] ZINC001601208842 1350231474 /nfs/dbraw/zinc/23/14/74/1350231474.db2.gz VOJIBVTUADDRNG-LLVKDONJSA-N -1 0 340.288 2.360 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)CSCC(F)(F)F)cc1[N+](=O)[O-] ZINC001601346061 1350262410 /nfs/dbraw/zinc/26/24/10/1350262410.db2.gz CYMSOXXXUHZQNK-UHFFFAOYSA-N -1 0 339.247 2.494 20 5 EEBDRM O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC001601876412 1350387607 /nfs/dbraw/zinc/38/76/07/1350387607.db2.gz VNHKHZUOOKUORS-HNNXBMFYSA-N -1 0 342.307 2.255 20 5 EEBDRM O=C([O-])CSCCC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001602096785 1350436655 /nfs/dbraw/zinc/43/66/55/1350436655.db2.gz GUNIOKCONLPGDY-UHFFFAOYSA-N -1 0 338.385 2.472 20 5 EEBDRM O=C([O-])c1c(Cl)c(N[C@@H](CO)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC001602232526 1350471740 /nfs/dbraw/zinc/47/17/40/1350471740.db2.gz ISTNWLFIBVUEML-SCZZXKLOSA-N -1 0 344.751 2.146 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc3nonc3c2)cc([N+](=O)[O-])c1 ZINC001602284994 1350485962 /nfs/dbraw/zinc/48/59/62/1350485962.db2.gz UZUSEKFIVITXHC-UHFFFAOYSA-N -1 0 328.240 2.082 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)nc1 ZINC001602343080 1350499662 /nfs/dbraw/zinc/49/96/62/1350499662.db2.gz GIDURDBLDDQQJU-LSDHHAIUSA-N -1 0 341.323 2.108 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H]2CC3(CO2)CCOCC3)c([N+](=O)[O-])c1 ZINC001602390373 1350509357 /nfs/dbraw/zinc/50/93/57/1350509357.db2.gz YCFDAOLWWMENAA-LBPRGKRZSA-N -1 0 337.328 2.258 20 5 EEBDRM O=C([O-])c1cccc(-c2nc(COC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cs2)c1 ZINC001602429393 1350517690 /nfs/dbraw/zinc/51/76/90/1350517690.db2.gz OTZWNYAGNPNHES-VXGBXAGGSA-N -1 0 348.336 2.217 20 5 EEBDRM O=C([O-])c1cnc(NCCOC(F)(F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001602531949 1350539703 /nfs/dbraw/zinc/53/97/03/1350539703.db2.gz KBLMCRCZVLYWPP-UHFFFAOYSA-N -1 0 345.180 2.272 20 5 EEBDRM CC(C)(C)OC(=O)NCCOc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001603467725 1350709966 /nfs/dbraw/zinc/70/99/66/1350709966.db2.gz OVVPMFHIMIRODI-UHFFFAOYSA-N -1 0 326.305 2.197 20 5 EEBDRM CC(C)(C)c1ccc(N[C@H]2CCN(CCC(=O)[O-])C2=O)cc1[N+](=O)[O-] ZINC001603540313 1350718159 /nfs/dbraw/zinc/71/81/59/1350718159.db2.gz PUCOMKAHRMOVKA-ZDUSSCGKSA-N -1 0 349.387 2.380 20 5 EEBDRM CC1(CC(F)F)CN(c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001603798495 1350769623 /nfs/dbraw/zinc/76/96/23/1350769623.db2.gz RQANSYGAQZRSMT-UHFFFAOYSA-N -1 0 342.281 2.396 20 5 EEBDRM CC(C)c1cncnc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001604011773 1350829405 /nfs/dbraw/zinc/82/94/05/1350829405.db2.gz BCQLARBSNWFZBW-UHFFFAOYSA-N -1 0 330.300 2.459 20 5 EEBDRM C[C@@H](CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC001604119322 1350864865 /nfs/dbraw/zinc/86/48/65/1350864865.db2.gz HLSVBBGZUAYYGD-VIFPVBQESA-N -1 0 333.300 2.126 20 5 EEBDRM C[C@@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC=CCC1 ZINC001604595755 1350966805 /nfs/dbraw/zinc/96/68/05/1350966805.db2.gz IQYBOWFCPHZQNT-CQSZACIVSA-N -1 0 340.357 2.070 20 5 EEBDRM C[C@H]1CCCN(C(=O)CCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001604734763 1350994092 /nfs/dbraw/zinc/99/40/92/1350994092.db2.gz XNJPMPPZUFVVCS-NSHDSACASA-N -1 0 335.360 2.354 20 5 EEBDRM CCc1nnc(C)cc1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605867861 1351241983 /nfs/dbraw/zinc/24/19/83/1351241983.db2.gz HYYDAYLSDJFGJQ-UHFFFAOYSA-N -1 0 345.311 2.311 20 5 EEBDRM Cc1cccc(CCNc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])n1 ZINC001605913400 1351252184 /nfs/dbraw/zinc/25/21/84/1351252184.db2.gz IVZAQIADWFKWQW-UHFFFAOYSA-N -1 0 343.322 2.272 20 5 EEBDRM COc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607068451 1351406772 /nfs/dbraw/zinc/40/67/72/1351406772.db2.gz WHUCIVDCQBOTCD-QPUJVOFHSA-N -1 0 340.307 2.068 20 5 EEBDRM COc1cc(CN(C)[C@@H](COC(C)C)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607156445 1351439837 /nfs/dbraw/zinc/43/98/37/1351439837.db2.gz XUQVYRBRKGPDMZ-ZDUSSCGKSA-N -1 0 344.339 2.053 20 5 EEBDRM Cc1c(C(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001607507619 1351507747 /nfs/dbraw/zinc/50/77/47/1351507747.db2.gz BLUZXLYQKBSDRJ-ZDUSSCGKSA-N -1 0 344.323 2.035 20 5 EEBDRM Cc1c(NC(=O)N[C@]23C[C@H]2COC3(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607542876 1351513312 /nfs/dbraw/zinc/51/33/12/1351513312.db2.gz SGYPCNGSKWEVNM-MGPLVRAMSA-N -1 0 349.343 2.290 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001607710032 1351544295 /nfs/dbraw/zinc/54/42/95/1351544295.db2.gz WMVVWYVURPLTNJ-VXGBXAGGSA-N -1 0 335.360 2.027 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2C)oc1C(=O)[O-] ZINC001607826178 1351565896 /nfs/dbraw/zinc/56/58/96/1351565896.db2.gz DXSDGNSKKUEDMH-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM Cc1n[nH]c(C)c1[C@H](C)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607935107 1351588988 /nfs/dbraw/zinc/58/89/88/1351588988.db2.gz DJZQUOCOMRZEOF-QMMMGPOBSA-N -1 0 347.327 2.480 20 5 EEBDRM Cc1oc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc1C(=O)[O-] ZINC001608053206 1351615264 /nfs/dbraw/zinc/61/52/64/1351615264.db2.gz MCMUXQYTWTXWTD-UHFFFAOYSA-N -1 0 345.267 2.059 20 5 EEBDRM Nc1c(Cl)cc(C(=O)NCc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001608268143 1351659481 /nfs/dbraw/zinc/65/94/81/1351659481.db2.gz YYPIIGKXHSXUQA-UHFFFAOYSA-N -1 0 349.730 2.459 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)COCCc2ccccc2)cc1[N+](=O)[O-] ZINC001608348720 1351676414 /nfs/dbraw/zinc/67/64/14/1351676414.db2.gz BHPHIHOHFHNWLE-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001608350442 1351676790 /nfs/dbraw/zinc/67/67/90/1351676790.db2.gz QDASOJTVXKYAFE-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C(NC[C@@H]1CCCN1CC(F)(F)F)c1cccc([N+](=O)[O-])c1[O-] ZINC000830956453 1372359920 /nfs/dbraw/zinc/35/99/20/1372359920.db2.gz XZFVZFYMEIPEQH-VIFPVBQESA-N -1 0 347.293 2.057 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000846718445 790456400 /nfs/dbraw/zinc/45/64/00/790456400.db2.gz WVWMSYQKYXYIBZ-ZDUSSCGKSA-N -1 0 335.360 2.130 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000818629457 785308142 /nfs/dbraw/zinc/30/81/42/785308142.db2.gz FVEOZVFYAZWTMP-AWEZNQCLSA-N -1 0 328.752 2.314 20 5 EEBDRM CCc1ccc([C@@H](O)CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000804149960 785434848 /nfs/dbraw/zinc/43/48/48/785434848.db2.gz CBWKQLNCRFMTCP-INIZCTEOSA-N -1 0 330.340 2.326 20 5 EEBDRM C[C@@H](OC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000824723680 788287553 /nfs/dbraw/zinc/28/75/53/788287553.db2.gz UFIZIXMGFPKLJX-MRVPVSSYSA-N -1 0 328.288 2.021 20 5 EEBDRM O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000912688764 788301834 /nfs/dbraw/zinc/30/18/34/788301834.db2.gz SEZJLGYFRYQVHV-UHFFFAOYSA-N -1 0 345.698 2.189 20 5 EEBDRM C[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1nncn1C ZINC000844217215 788907742 /nfs/dbraw/zinc/90/77/42/788907742.db2.gz JHDXAHVCAWOFAB-OAQKJQOQSA-N -1 0 331.332 2.037 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(n3cccn3)CC2)n1 ZINC000844207969 788926310 /nfs/dbraw/zinc/92/63/10/788926310.db2.gz PQZFFEBFBTVPNM-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM Cc1nc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1[C@H](C)O ZINC000844213580 788931008 /nfs/dbraw/zinc/93/10/08/788931008.db2.gz KATPHCXNNNTIOA-VIFPVBQESA-N -1 0 332.316 2.057 20 5 EEBDRM Cc1cnn([C@H]2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000844212431 788931263 /nfs/dbraw/zinc/93/12/63/788931263.db2.gz WUKLSVHFXOKJJO-ZDUSSCGKSA-N -1 0 330.344 2.178 20 5 EEBDRM Cc1cc(NCc2nc(C(F)(F)F)n[nH]2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844213798 788931967 /nfs/dbraw/zinc/93/19/67/788931967.db2.gz MRZWGGZTFYYXFY-UHFFFAOYSA-N -1 0 345.237 2.350 20 5 EEBDRM Cn1ccnc1[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000844214559 788933199 /nfs/dbraw/zinc/93/31/99/788933199.db2.gz HVEAMMOYBWJBFW-LBPRGKRZSA-N -1 0 330.344 2.411 20 5 EEBDRM CCC1(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000151429531 788957389 /nfs/dbraw/zinc/95/73/89/788957389.db2.gz WEGIRRBJDMEUBF-UHFFFAOYSA-N -1 0 340.401 2.164 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000845435312 789774070 /nfs/dbraw/zinc/77/40/70/789774070.db2.gz ARESPUJWRLTCRH-XYPYZODXSA-N -1 0 326.374 2.226 20 5 EEBDRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000845440042 789777094 /nfs/dbraw/zinc/77/70/94/789777094.db2.gz XHDUBYZMFCBSRA-UHFFFAOYSA-N -1 0 328.390 2.367 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000176508447 795183368 /nfs/dbraw/zinc/18/33/68/795183368.db2.gz CDSMHGAZQBMYKQ-SSDOTTSWSA-N -1 0 332.765 2.099 20 5 EEBDRM CCOC(=O)c1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)ccn1 ZINC001174503575 797784341 /nfs/dbraw/zinc/78/43/41/797784341.db2.gz QXCYUILLRADPDL-UHFFFAOYSA-N -1 0 331.284 2.030 20 5 EEBDRM COC(=O)c1ccc(N)c(N(C)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174505669 797784839 /nfs/dbraw/zinc/78/48/39/797784839.db2.gz HLCRIBDYNMJAHI-UHFFFAOYSA-N -1 0 345.311 2.430 20 5 EEBDRM COc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1C(N)=O ZINC001174505108 797784912 /nfs/dbraw/zinc/78/49/12/797784912.db2.gz PIKYHJSMKQNOGT-UHFFFAOYSA-N -1 0 331.284 2.144 20 5 EEBDRM COc1ccc(C(N)=O)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174507131 797785579 /nfs/dbraw/zinc/78/55/79/797785579.db2.gz DAPKJMRGPTXPGD-UHFFFAOYSA-N -1 0 331.284 2.144 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC001175735253 798210409 /nfs/dbraw/zinc/21/04/09/798210409.db2.gz FAFRNSDXUDWFCC-UHFFFAOYSA-N -1 0 333.275 2.292 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2N)cc1[N+](=O)[O-] ZINC001176361583 798440545 /nfs/dbraw/zinc/44/05/45/798440545.db2.gz GHLKSFKZEWYBLE-UHFFFAOYSA-N -1 0 341.320 2.126 20 5 EEBDRM COC(=O)c1ccc(OC)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001176673165 798523623 /nfs/dbraw/zinc/52/36/23/798523623.db2.gz TWVZIUOAXKAWSR-UHFFFAOYSA-N -1 0 347.283 2.227 20 5 EEBDRM O=C([O-])c1ccc(NCCC(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC001168918162 803517681 /nfs/dbraw/zinc/51/76/81/803517681.db2.gz QBOKWEATVAMCEC-UHFFFAOYSA-N -1 0 336.329 2.190 20 5 EEBDRM O=C([O-])c1cnc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC001595269318 949809070 /nfs/dbraw/zinc/80/90/70/949809070.db2.gz ATDKKORHLLAUDV-UHFFFAOYSA-N -1 0 337.675 2.093 20 5 EEBDRM O=C([O-])C1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001595278142 949950675 /nfs/dbraw/zinc/95/06/75/949950675.db2.gz HNJQOFJPLKTRGZ-UHFFFAOYSA-N -1 0 326.308 2.347 20 5 EEBDRM O=C([O-])[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1C1CC1 ZINC001595288142 950058978 /nfs/dbraw/zinc/05/89/78/950058978.db2.gz XUTBBPFDDQQTJY-NWDGAFQWSA-N -1 0 345.355 2.027 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001589305050 953731715 /nfs/dbraw/zinc/73/17/15/953731715.db2.gz PDRZGJALQAXBGP-WCQYABFASA-N -1 0 345.355 2.261 20 5 EEBDRM Nc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC001594665817 956573612 /nfs/dbraw/zinc/57/36/12/956573612.db2.gz PGNJMDKVMPFWJP-GXTWGEPZSA-N -1 0 341.323 2.220 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001573554873 959250647 /nfs/dbraw/zinc/25/06/47/959250647.db2.gz JWWRLNJAGCUNOL-ZWNOBZJWSA-N -1 0 336.344 2.460 20 5 EEBDRM C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001573725250 960398061 /nfs/dbraw/zinc/39/80/61/960398061.db2.gz BIDCOHIRMCRUKP-GXFFZTMASA-N -1 0 338.335 2.236 20 5 EEBDRM CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)CC(=O)[O-] ZINC001328494249 961209952 /nfs/dbraw/zinc/20/99/52/961209952.db2.gz MFWSEKWCCZVEDP-UHFFFAOYSA-N -1 0 346.343 2.106 20 5 EEBDRM CC(C)[C@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588821448 961625405 /nfs/dbraw/zinc/62/54/05/961625405.db2.gz JEABKARYEXFOLY-JTQLQIEISA-N -1 0 328.752 2.264 20 5 EEBDRM C[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001605041875 972655157 /nfs/dbraw/zinc/65/51/57/972655157.db2.gz GZPYCCCMHPFPJB-TUAOUCFPSA-N -1 0 336.344 2.042 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001603389028 972999347 /nfs/dbraw/zinc/99/93/47/972999347.db2.gz VYZHXCXNZHWTNI-VHSXEESVSA-N -1 0 331.328 2.401 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001603450354 973251882 /nfs/dbraw/zinc/25/18/82/973251882.db2.gz ULTWRJUPDALZBH-IJLUTSLNSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC001606126252 973369913 /nfs/dbraw/zinc/36/99/13/973369913.db2.gz SYDFTMIQYDEZGB-JTQLQIEISA-N -1 0 326.324 2.307 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C1CC1 ZINC001592298787 977648661 /nfs/dbraw/zinc/64/86/61/977648661.db2.gz VODOIOXNLHMDLB-AWEZNQCLSA-N -1 0 325.296 2.499 20 5 EEBDRM CCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000828807500 978988087 /nfs/dbraw/zinc/98/80/87/978988087.db2.gz OANVQUKDOYJYEN-UHFFFAOYSA-N -1 0 330.362 2.152 20 5 EEBDRM C[C@H](CNC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1[N+](=O)[O-] ZINC001592673447 979081857 /nfs/dbraw/zinc/08/18/57/979081857.db2.gz XPUIBRVVVFSGBJ-SNVBAGLBSA-N -1 0 347.327 2.489 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC(c3c[nH]cn3)CC2)cc([N+](=O)[O-])c1 ZINC000833295878 979142996 /nfs/dbraw/zinc/14/29/96/979142996.db2.gz IQORKMIOEGOCIX-UHFFFAOYSA-N -1 0 344.327 2.036 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001595045902 979256100 /nfs/dbraw/zinc/25/61/00/979256100.db2.gz YBKDCJNYPIRZTA-UHFFFAOYSA-N -1 0 340.288 2.342 20 5 EEBDRM CCOc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000864198636 979871267 /nfs/dbraw/zinc/87/12/67/979871267.db2.gz YYQIBQIMYSRWGD-INIZCTEOSA-N -1 0 336.344 2.367 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001594817696 981958749 /nfs/dbraw/zinc/95/87/49/981958749.db2.gz UBSIKTUNUAOHTA-CYBMUJFWSA-N -1 0 330.287 2.446 20 5 EEBDRM CC[C@H](C)C[C@@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594945467 982633621 /nfs/dbraw/zinc/63/36/21/982633621.db2.gz PZTZLRXPGAJQFY-GZMMTYOYSA-N -1 0 342.323 2.362 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001596305445 983732454 /nfs/dbraw/zinc/73/24/54/983732454.db2.gz ABIGWUPEPFLKSM-UHFFFAOYSA-N -1 0 349.387 2.134 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001589000629 984940814 /nfs/dbraw/zinc/94/08/14/984940814.db2.gz CDIOQSZGEOAPID-YFHOEESVSA-N -1 0 344.327 2.226 20 5 EEBDRM C[C@H](C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001589429935 986712751 /nfs/dbraw/zinc/71/27/51/986712751.db2.gz OOUMCEKFUDYGFQ-VTVITOLOSA-N -1 0 336.319 2.207 20 5 EEBDRM CC[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)c1cccc([N+](=O)[O-])c1 ZINC001597288872 987374295 /nfs/dbraw/zinc/37/42/95/987374295.db2.gz WQIMQXCUUSUNIM-ICGCDAGXSA-N -1 0 336.344 2.040 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001599877008 989432688 /nfs/dbraw/zinc/43/26/88/989432688.db2.gz FABSZDQRZREJMN-NXEZZACHSA-N -1 0 331.328 2.401 20 5 EEBDRM CCn1cc([C@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001597882354 989711521 /nfs/dbraw/zinc/71/15/21/989711521.db2.gz NRAWFUKXVWXGHZ-VIFPVBQESA-N -1 0 332.316 2.000 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001597899030 989767902 /nfs/dbraw/zinc/76/79/02/989767902.db2.gz BOHUSOPKIIDJIG-LLVKDONJSA-N -1 0 344.327 2.030 20 5 EEBDRM CC(C)(C)c1ccc(C(=O)N[C@H](CCF)C(=O)[O-])cc1[N+](=O)[O-] ZINC001590475847 990051937 /nfs/dbraw/zinc/05/19/37/990051937.db2.gz ZALYYEIAJCPSSC-LLVKDONJSA-N -1 0 326.324 2.435 20 5 EEBDRM CC(C)(C)c1nc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)cs1 ZINC001590541647 990166295 /nfs/dbraw/zinc/16/62/95/990166295.db2.gz DEBIKRJEYKHBCF-UHFFFAOYSA-N -1 0 337.357 2.257 20 5 EEBDRM CC(C)(CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)CC(=O)[O-] ZINC001590747432 990546531 /nfs/dbraw/zinc/54/65/31/990546531.db2.gz WYGCXDMNCXJJQQ-UHFFFAOYSA-N -1 0 347.730 2.200 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599622474 994102833 /nfs/dbraw/zinc/10/28/33/994102833.db2.gz OVZJYCKZMDJUKT-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM C[C@@H](Sc1nc(C(=O)[O-])c[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001593678949 996096481 /nfs/dbraw/zinc/09/64/81/996096481.db2.gz CMWUJMRZIMXMJB-SSDOTTSWSA-N -1 0 336.329 2.135 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001593787725 996504009 /nfs/dbraw/zinc/50/40/09/996504009.db2.gz KOGUWVNCEMAZHU-AWEZNQCLSA-N -1 0 326.736 2.114 20 5 EEBDRM CC1(C)CCC[C@](NC(=O)c2cc([N+](=O)[O-])ccc2N)(C(=O)[O-])C1 ZINC001593892638 996742420 /nfs/dbraw/zinc/74/24/20/996742420.db2.gz QSAIWAHYPDTCKW-MRXNPFEDSA-N -1 0 335.360 2.330 20 5 EEBDRM COC(=O)N1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001598879299 996790870 /nfs/dbraw/zinc/79/08/70/996790870.db2.gz HNVJEYVQQVGABC-JTQLQIEISA-N -1 0 337.332 2.244 20 5 EEBDRM C[C@@H]1C(=O)CC[C@H]1CC(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594125800 998303257 /nfs/dbraw/zinc/30/32/57/998303257.db2.gz MMJHMRZTOVZNLO-UWVGGRQHSA-N -1 0 335.312 2.342 20 5 EEBDRM COc1ccc(Cl)cc1Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O ZINC001599578297 998483983 /nfs/dbraw/zinc/48/39/83/998483983.db2.gz USQATNQEIFGYGO-UHFFFAOYSA-N -1 0 338.703 2.165 20 5 EEBDRM COc1ccc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1Cl ZINC001599579649 998506261 /nfs/dbraw/zinc/50/62/61/998506261.db2.gz DQKXRQOXHUTZOZ-UHFFFAOYSA-N -1 0 338.703 2.165 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CCC1=O ZINC001594201523 998779951 /nfs/dbraw/zinc/77/99/51/998779951.db2.gz PXZOCLBGXHJVLQ-VGTOOOLASA-N -1 0 348.355 2.016 20 5 EEBDRM CC1CC(CS(=O)(=O)Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001594244813 998932632 /nfs/dbraw/zinc/93/26/32/998932632.db2.gz YNCRZXUSYBPBBO-UHFFFAOYSA-N -1 0 329.330 2.048 20 5 EEBDRM C[C@@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1F ZINC001594431993 999607802 /nfs/dbraw/zinc/60/78/02/999607802.db2.gz PABOEMLTLQQFHV-XCBNKYQSSA-N -1 0 327.268 2.386 20 5 EEBDRM CN(C[C@H]1CCCCO1)c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001516249707 1118999585 /nfs/dbraw/zinc/99/95/85/1118999585.db2.gz ZXKMPOIBHJQXNR-GFCCVEGCSA-N -1 0 347.375 2.101 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000427916814 241496405 /nfs/dbraw/zinc/49/64/05/241496405.db2.gz RJNSILCUEYGOGE-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM CC(C)(C(=O)Nc1ccc(CCC(=O)[O-])cc1)n1cc([N+](=O)[O-])cn1 ZINC000236725818 242336000 /nfs/dbraw/zinc/33/60/00/242336000.db2.gz CSQAKMZAZAFIMA-UHFFFAOYSA-N -1 0 346.343 2.182 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCOC2CCCCC2)cc([N+](=O)[O-])c1 ZINC000262655884 245100139 /nfs/dbraw/zinc/10/01/39/245100139.db2.gz SPMDPCGMKIZORU-UHFFFAOYSA-N -1 0 336.344 2.372 20 5 EEBDRM Cc1coc(CC(=O)[O-])c1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000263440153 245418495 /nfs/dbraw/zinc/41/84/95/245418495.db2.gz PNNFHQPXEVDTKU-UHFFFAOYSA-N -1 0 332.312 2.096 20 5 EEBDRM CC(C)OC(=O)N1CCC(OC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000491476166 246042068 /nfs/dbraw/zinc/04/20/68/246042068.db2.gz GGQYGDILQCOHLH-UHFFFAOYSA-N -1 0 325.321 2.089 20 5 EEBDRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492115243 246306903 /nfs/dbraw/zinc/30/69/03/246306903.db2.gz DKWMQSXCUGTZQW-DANTVBBOSA-N -1 0 348.355 2.090 20 5 EEBDRM CC(C)(C)[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000270650385 256156835 /nfs/dbraw/zinc/15/68/35/256156835.db2.gz QJPMFIAJQMFTGJ-RISCZKNCSA-N -1 0 342.417 2.467 20 5 EEBDRM Cc1noc(C)c1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000270903121 256185541 /nfs/dbraw/zinc/18/55/41/256185541.db2.gz VJXQMWFADOHXCU-UHFFFAOYSA-N -1 0 325.346 2.184 20 5 EEBDRM COC(=O)C1(N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCCC1 ZINC000273324056 256287064 /nfs/dbraw/zinc/28/70/64/256287064.db2.gz LMAXTRKWGBRMKU-UHFFFAOYSA-N -1 0 336.344 2.248 20 5 EEBDRM O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181814424 143851895 /nfs/dbraw/zinc/85/18/95/143851895.db2.gz KKYKPSLXZWOFJI-LBPRGKRZSA-N -1 0 341.323 2.156 20 5 EEBDRM CCOc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263116747 152378708 /nfs/dbraw/zinc/37/87/08/152378708.db2.gz VBJPXBTVSGOIEM-MFKMUULPSA-N -1 0 336.344 2.319 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000263555401 160471344 /nfs/dbraw/zinc/47/13/44/160471344.db2.gz NWVVUSVQJIVGDU-SSDOTTSWSA-N -1 0 344.726 2.394 20 5 EEBDRM Cc1cc(CS(=O)(=O)NCc2ccc([N+](=O)[O-])cc2Cl)on1 ZINC000341654911 161003478 /nfs/dbraw/zinc/00/34/78/161003478.db2.gz RQIOSJBVOKGVDL-UHFFFAOYSA-N -1 0 345.764 2.164 20 5 EEBDRM O=C(NC[C@@H](O)CCc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000345818954 161334887 /nfs/dbraw/zinc/33/48/87/161334887.db2.gz YXBXADFCTJBFEH-AWEZNQCLSA-N -1 0 330.340 2.024 20 5 EEBDRM Cc1oc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1C(=O)[O-] ZINC000362572725 164722814 /nfs/dbraw/zinc/72/28/14/164722814.db2.gz LKWBKZJPNGHAAF-UHFFFAOYSA-N -1 0 344.283 2.001 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)on2)cc1 ZINC000369555463 166284414 /nfs/dbraw/zinc/28/44/14/166284414.db2.gz CTLCGPXBBPOUAZ-UHFFFAOYSA-N -1 0 346.324 2.446 20 5 EEBDRM O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274621155 269041899 /nfs/dbraw/zinc/04/18/99/269041899.db2.gz UKXDLWWGWZYRNG-CYBMUJFWSA-N -1 0 329.312 2.208 20 5 EEBDRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000275077046 269092207 /nfs/dbraw/zinc/09/22/07/269092207.db2.gz HYVQIMSEQQSSJJ-TVQRCGJNSA-N -1 0 344.389 2.023 20 5 EEBDRM COC(=O)[C@]12CN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000286118960 274838745 /nfs/dbraw/zinc/83/87/45/274838745.db2.gz GSLZJQQAAVZFHC-PIGZYNQJSA-N -1 0 348.355 2.106 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000292581456 275450543 /nfs/dbraw/zinc/45/05/43/275450543.db2.gz PKSRNCQBSNSHHU-GJZGRUSLSA-N -1 0 332.356 2.474 20 5 EEBDRM CN1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000356280508 290030039 /nfs/dbraw/zinc/03/00/39/290030039.db2.gz MTAYVTGKQSYHSE-UHFFFAOYSA-N -1 0 327.340 2.393 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000263375188 297343213 /nfs/dbraw/zinc/34/32/13/297343213.db2.gz WLJFSZSHSMVGPM-BDAKNGLRSA-N -1 0 326.736 2.431 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433625 297883744 /nfs/dbraw/zinc/88/37/44/297883744.db2.gz RRNVTRIPBCEGGJ-LLVKDONJSA-N -1 0 330.138 2.053 20 5 EEBDRM O=C(Nc1nnc(-c2ccccn2)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000170852628 311396709 /nfs/dbraw/zinc/39/67/09/311396709.db2.gz IDHHEWKJTHKVJN-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000322265121 311598003 /nfs/dbraw/zinc/59/80/03/311598003.db2.gz IJXROKMSEQAITG-PELKAZGASA-N -1 0 325.321 2.224 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC000416441179 313224089 /nfs/dbraw/zinc/22/40/89/313224089.db2.gz DUYTXKWRCPSFEC-MGPLVRAMSA-N -1 0 328.328 2.229 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccsc1 ZINC000436824014 315002814 /nfs/dbraw/zinc/00/28/14/315002814.db2.gz FEJKBRNCVJZMAQ-GFCCVEGCSA-N -1 0 336.325 2.006 20 5 EEBDRM CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436920409 315012855 /nfs/dbraw/zinc/01/28/55/315012855.db2.gz RNNGIBLDEUSKOF-LBPRGKRZSA-N -1 0 344.323 2.212 20 5 EEBDRM Cc1ccn2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])nc2c1 ZINC000436968098 315017810 /nfs/dbraw/zinc/01/78/10/315017810.db2.gz SFVUUXQOIFYPQO-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM C[C@H](O)[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000514731739 316418032 /nfs/dbraw/zinc/41/80/32/316418032.db2.gz SFDKZFRBFLQFLU-GZMMTYOYSA-N -1 0 328.752 2.329 20 5 EEBDRM CO[C@H]1c2ccccc2C[C@H]1Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516070845 316531806 /nfs/dbraw/zinc/53/18/06/316531806.db2.gz RFMPJUKPWIILKZ-OCCSQVGLSA-N -1 0 329.312 2.412 20 5 EEBDRM Cc1ccc(NCCCNC(=O)[C@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000522006725 316946335 /nfs/dbraw/zinc/94/63/35/316946335.db2.gz UPHWXBHQUILQRA-CQSZACIVSA-N -1 0 337.376 2.178 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000538582548 318037601 /nfs/dbraw/zinc/03/76/01/318037601.db2.gz IOZXDIPJIOVPSQ-UHFFFAOYSA-N -1 0 336.325 2.163 20 5 EEBDRM CC(C)OC1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000540666312 318077080 /nfs/dbraw/zinc/07/70/80/318077080.db2.gz BQFOPSJUWDXSCQ-UHFFFAOYSA-N -1 0 336.344 2.323 20 5 EEBDRM O=C([O-])CN(C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000548240370 318367512 /nfs/dbraw/zinc/36/75/12/318367512.db2.gz ZJOCZLQBZRBWGG-UHFFFAOYSA-N -1 0 342.373 2.003 20 5 EEBDRM O=C(N[C@H]1CCN(CC(F)F)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563537210 319020986 /nfs/dbraw/zinc/02/09/86/319020986.db2.gz KPWUXKYISBTTAS-QMMMGPOBSA-N -1 0 349.721 2.023 20 5 EEBDRM CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566317442 319274279 /nfs/dbraw/zinc/27/42/79/319274279.db2.gz OQRURTLSLSPBOO-SECBINFHSA-N -1 0 330.362 2.102 20 5 EEBDRM Cn1cc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2(C)C)cn1 ZINC000566456648 319290287 /nfs/dbraw/zinc/29/02/87/319290287.db2.gz OINCEDSWUWHFTB-CQSZACIVSA-N -1 0 344.371 2.300 20 5 EEBDRM C[C@H](O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000573352303 319926873 /nfs/dbraw/zinc/92/68/73/319926873.db2.gz LGFXIYILZDXIPC-LBPRGKRZSA-N -1 0 330.340 2.324 20 5 EEBDRM C[C@@H](CCC1CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000573916916 319978182 /nfs/dbraw/zinc/97/81/82/319978182.db2.gz CPTGNVAGZDXFFK-VIFPVBQESA-N -1 0 342.373 2.150 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@@H]2CCN(CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000577637827 320267818 /nfs/dbraw/zinc/26/78/18/320267818.db2.gz HHHWHQJHCFEMLP-SNVBAGLBSA-N -1 0 347.293 2.270 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000578403265 320311904 /nfs/dbraw/zinc/31/19/04/320311904.db2.gz MEYLERSRMOFWPZ-CYBMUJFWSA-N -1 0 349.368 2.324 20 5 EEBDRM O=C([O-])c1cnc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000392702612 323549780 /nfs/dbraw/zinc/54/97/80/323549780.db2.gz PWWQUENPAGNBJA-UHFFFAOYSA-N -1 0 346.318 2.154 20 5 EEBDRM Cc1cnc(N2CCN(c3ccc(C(=O)[O-])s3)CC2)c([N+](=O)[O-])c1 ZINC000581074996 324181438 /nfs/dbraw/zinc/18/14/38/324181438.db2.gz UCHBPBXFHUZLIT-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000083955285 463569182 /nfs/dbraw/zinc/56/91/82/463569182.db2.gz QAHUMCOZHSXTSK-UHFFFAOYSA-N -1 0 342.402 2.426 20 5 EEBDRM COc1ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000326341951 465037025 /nfs/dbraw/zinc/03/70/25/465037025.db2.gz SBYGHLTZLXUEJK-JTQLQIEISA-N -1 0 339.348 2.472 20 5 EEBDRM CC(C)(CO)ONC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000296274357 465139272 /nfs/dbraw/zinc/13/92/72/465139272.db2.gz DLBKXHMVJHDITD-UHFFFAOYSA-N -1 0 335.263 2.020 20 5 EEBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000008108223 462767273 /nfs/dbraw/zinc/76/72/73/462767273.db2.gz AGGCJCRUYVVNTG-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM CN(Cc1nc2ccccc2n1C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000131239012 462799886 /nfs/dbraw/zinc/79/98/86/462799886.db2.gz NNFVANVNUUVMQY-UHFFFAOYSA-N -1 0 340.339 2.459 20 5 EEBDRM CCc1ccc([C@H](CO)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000092678948 462972756 /nfs/dbraw/zinc/97/27/56/462972756.db2.gz JWMHZKWLHIRDOZ-AWEZNQCLSA-N -1 0 330.340 2.326 20 5 EEBDRM O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134218620 463016498 /nfs/dbraw/zinc/01/64/98/463016498.db2.gz VLAVPGGNVVHULS-UHFFFAOYSA-N -1 0 328.263 2.166 20 5 EEBDRM CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000030659445 463307316 /nfs/dbraw/zinc/30/73/16/463307316.db2.gz OYMXFPDZBAOHOJ-UHFFFAOYSA-N -1 0 326.312 2.449 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000161991841 463474278 /nfs/dbraw/zinc/47/42/78/463474278.db2.gz BNUVFLXTKBTHPG-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C(Nc1cc(-c2cccnc2)[nH]n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000162807771 463540532 /nfs/dbraw/zinc/54/05/32/463540532.db2.gz FYRUOSAUJQWBCH-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](CC)C(=O)OCC ZINC000276977858 463827791 /nfs/dbraw/zinc/82/77/91/463827791.db2.gz VMTKEBGEZYUWTF-ZDUSSCGKSA-N -1 0 338.360 2.494 20 5 EEBDRM CC(C)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccn1 ZINC000185501804 463834509 /nfs/dbraw/zinc/83/45/09/463834509.db2.gz RQFMTMMMRHFEPQ-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM COCCn1nc(C)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC000269290504 463943478 /nfs/dbraw/zinc/94/34/78/463943478.db2.gz PNWRPAAEXBUQAH-UHFFFAOYSA-N -1 0 334.332 2.012 20 5 EEBDRM CCOc1ccc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263342734 464088474 /nfs/dbraw/zinc/08/84/74/464088474.db2.gz SKBUPUIVDVOIMQ-MRXNPFEDSA-N -1 0 336.344 2.320 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000210753265 464102121 /nfs/dbraw/zinc/10/21/21/464102121.db2.gz VDFLPYYWYNIDRU-FLIBITNWSA-N -1 0 346.364 2.422 20 5 EEBDRM CC1CCN(c2ccc(C(=O)NC(C)(C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000236729371 464221662 /nfs/dbraw/zinc/22/16/62/464221662.db2.gz HTLTZJZFCGTJRH-UHFFFAOYSA-N -1 0 349.387 2.424 20 5 EEBDRM COCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000281129088 464342875 /nfs/dbraw/zinc/34/28/75/464342875.db2.gz ILIAHEKSNUEQDE-ZETCQYMHSA-N -1 0 340.760 2.091 20 5 EEBDRM O=C([O-])CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237968594 464413522 /nfs/dbraw/zinc/41/35/22/464413522.db2.gz JIDSAYSWJSTADM-UHFFFAOYSA-N -1 0 338.363 2.136 20 5 EEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000294463323 464507984 /nfs/dbraw/zinc/50/79/84/464507984.db2.gz BLVMNKOYVCIMBT-IUTMOUAVSA-N -1 0 330.340 2.320 20 5 EEBDRM COCCn1nc(C)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000272605156 464676303 /nfs/dbraw/zinc/67/63/03/464676303.db2.gz MBGJAUKZUPSFCH-UHFFFAOYSA-N -1 0 334.332 2.012 20 5 EEBDRM CCn1cc([C@H](C)NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000295239714 464757340 /nfs/dbraw/zinc/75/73/40/464757340.db2.gz DKQMBUKGDGQQDP-NSHDSACASA-N -1 0 338.389 2.159 20 5 EEBDRM CCC1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000266742676 464806061 /nfs/dbraw/zinc/80/60/61/464806061.db2.gz OQEAOXABTXUIPG-UHFFFAOYSA-N -1 0 346.380 2.219 20 5 EEBDRM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356849333 465573942 /nfs/dbraw/zinc/57/39/42/465573942.db2.gz UPNQQSIQYXGAQX-OAHLLOKOSA-N -1 0 344.323 2.287 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2noc(C3CC3)n2)c1 ZINC000353818464 466173331 /nfs/dbraw/zinc/17/33/31/466173331.db2.gz VSTFLXHBSBMACV-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361781555 466284334 /nfs/dbraw/zinc/28/43/34/466284334.db2.gz MUJZQZCDVFSWFV-UHFFFAOYSA-N -1 0 332.288 2.296 20 5 EEBDRM Cc1nc(CN2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)cs1 ZINC000338893497 466465631 /nfs/dbraw/zinc/46/56/31/466465631.db2.gz VFPMBCJYVGKHIQ-UHFFFAOYSA-N -1 0 348.428 2.383 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(Cc2cccnc2)CC1 ZINC000350395302 466478643 /nfs/dbraw/zinc/47/86/43/466478643.db2.gz SVTFDKNZPYMIJI-UHFFFAOYSA-N -1 0 328.372 2.013 20 5 EEBDRM CC(=O)N1Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2C1 ZINC000373480861 466818304 /nfs/dbraw/zinc/81/83/04/466818304.db2.gz OAOFXTQCKQUUCQ-UHFFFAOYSA-N -1 0 341.323 2.415 20 5 EEBDRM Cc1cn2c(n1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)CCC2 ZINC000370924474 467045929 /nfs/dbraw/zinc/04/59/29/467045929.db2.gz NEIVMFJJTGPIPE-GFCCVEGCSA-N -1 0 330.344 2.113 20 5 EEBDRM CCSc1nnc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1 ZINC000433853552 467358549 /nfs/dbraw/zinc/35/85/49/467358549.db2.gz RRWIXDMSPZRXPT-UHFFFAOYSA-N -1 0 342.406 2.657 20 5 EEBDRM C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C(C)(C)C1 ZINC000380378575 467371911 /nfs/dbraw/zinc/37/19/11/467371911.db2.gz LONWOTYTSUJPNB-SECBINFHSA-N -1 0 342.373 2.102 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000435727368 467491767 /nfs/dbraw/zinc/49/17/67/467491767.db2.gz WUAWLBQUDVZUHA-UHFFFAOYSA-N -1 0 330.753 2.265 20 5 EEBDRM COc1ccc2c(c1)OC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C2 ZINC000436550088 467544248 /nfs/dbraw/zinc/54/42/48/467544248.db2.gz YQZDXRHGGHXGNR-NSHDSACASA-N -1 0 344.323 2.043 20 5 EEBDRM O=C(NCc1ccc2c(c1)OCCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436668234 467550067 /nfs/dbraw/zinc/55/00/67/467550067.db2.gz BAWUKAUXLKROAN-UHFFFAOYSA-N -1 0 344.323 2.392 20 5 EEBDRM CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436753506 467553907 /nfs/dbraw/zinc/55/39/07/467553907.db2.gz VPJOKYFDDJQHBK-GFCCVEGCSA-N -1 0 344.323 2.212 20 5 EEBDRM C[C@H](CN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000458396448 467823681 /nfs/dbraw/zinc/82/36/81/467823681.db2.gz QUSCOPMLPNXXJK-SNVBAGLBSA-N -1 0 338.360 2.350 20 5 EEBDRM O=C([O-])c1cc(N(CCCO)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000516653804 468040368 /nfs/dbraw/zinc/04/03/68/468040368.db2.gz WKHRZHZVRLXCLT-UHFFFAOYSA-N -1 0 331.328 2.077 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000516653746 468040433 /nfs/dbraw/zinc/04/04/33/468040433.db2.gz TTZXWNZNCRJTTD-CYBMUJFWSA-N -1 0 329.312 2.346 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@H](CO)Cc2ccccc21 ZINC000590407047 468248358 /nfs/dbraw/zinc/24/83/58/468248358.db2.gz NBRGVOLRTFJQHY-LLVKDONJSA-N -1 0 328.324 2.112 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1NCCOc1ccc(C(=O)[O-])cc1 ZINC000567985687 468251072 /nfs/dbraw/zinc/25/10/72/468251072.db2.gz JCOGPRYILYVRIU-UHFFFAOYSA-N -1 0 334.332 2.309 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc2ncccn2n1 ZINC000590444810 468258724 /nfs/dbraw/zinc/25/87/24/468258724.db2.gz IEJATPPGOMUGMR-UHFFFAOYSA-N -1 0 333.691 2.249 20 5 EEBDRM CC[C@H](C)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000520575563 468259152 /nfs/dbraw/zinc/25/91/52/468259152.db2.gz USPPFJNGJTWQBC-DTWKUNHWSA-N -1 0 330.362 2.006 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000582549037 468556739 /nfs/dbraw/zinc/55/67/39/468556739.db2.gz JFAQNFOJAIHQEI-UHFFFAOYSA-N -1 0 334.332 2.439 20 5 EEBDRM C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594461993 468596190 /nfs/dbraw/zinc/59/61/90/468596190.db2.gz LRFZOMZIXQPYKV-GRYCIOLGSA-N -1 0 349.387 2.258 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@H]3CCCCO3)C2)n1 ZINC000594734543 468668019 /nfs/dbraw/zinc/66/80/19/468668019.db2.gz ASPBAUAWWJGNHK-BXUZGUMPSA-N -1 0 335.360 2.474 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000594736241 468668881 /nfs/dbraw/zinc/66/88/81/468668881.db2.gz MVSVBOBPPBMWPN-BDAKNGLRSA-N -1 0 333.266 2.388 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000600874742 468672960 /nfs/dbraw/zinc/67/29/60/468672960.db2.gz IDQLPEGBAKBTGX-CYBMUJFWSA-N -1 0 349.387 2.404 20 5 EEBDRM O=C(NCc1cccnc1N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000597939948 468718402 /nfs/dbraw/zinc/71/84/02/468718402.db2.gz FCDSWOMAWWDZSY-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM COC(=O)[C@@]1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[C@@H](C)CC1 ZINC000598099916 468764739 /nfs/dbraw/zinc/76/47/39/468764739.db2.gz PGIMMYVYBNPVOB-HZRBXJLLSA-N -1 0 336.344 2.152 20 5 EEBDRM CCC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000571439477 468789461 /nfs/dbraw/zinc/78/94/61/468789461.db2.gz QETOCFQNAGYRSJ-UHFFFAOYSA-N -1 0 330.362 2.068 20 5 EEBDRM CO[C@H](CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C1CCCCC1 ZINC000595280319 468799677 /nfs/dbraw/zinc/79/96/77/468799677.db2.gz CAKUIUIMBURGGB-CYBMUJFWSA-N -1 0 337.376 3.004 20 5 EEBDRM COc1cc(CCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])ccc1C ZINC000571526092 468800556 /nfs/dbraw/zinc/80/05/56/468800556.db2.gz MKZDGDIDKZRRQB-UHFFFAOYSA-N -1 0 331.328 2.660 20 5 EEBDRM CN(CCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1F ZINC000571804187 468840895 /nfs/dbraw/zinc/84/08/95/468840895.db2.gz LBAUHFQGUVJWBC-UHFFFAOYSA-N -1 0 348.334 2.766 20 5 EEBDRM CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598485638 468884111 /nfs/dbraw/zinc/88/41/11/468884111.db2.gz SDEMLBWYLAPKFH-XJKSGUPXSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C(NC[C@H]1CCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000598510240 468894578 /nfs/dbraw/zinc/89/45/78/468894578.db2.gz OUJUNOPRHBBSGC-CQSZACIVSA-N -1 0 341.367 2.305 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n(C)n1 ZINC000598733927 468979188 /nfs/dbraw/zinc/97/91/88/468979188.db2.gz GFTCICFCABHZMX-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM CCOc1cccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000610483434 468980861 /nfs/dbraw/zinc/98/08/61/468980861.db2.gz CKIIZHKYWLFXRW-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000573000463 469039102 /nfs/dbraw/zinc/03/91/02/469039102.db2.gz DEZNQFPPLJYVHK-YPMHNXCESA-N -1 0 338.360 2.025 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000595979821 469105273 /nfs/dbraw/zinc/10/52/73/469105273.db2.gz VBVBAOFEJIZGOK-IHBFAXJASA-N -1 0 334.250 2.250 20 5 EEBDRM O=[N+]([O-])c1ccc(CCN=c2nc(C3CCOCC3)[n-]s2)cc1 ZINC000596088609 469149386 /nfs/dbraw/zinc/14/93/86/469149386.db2.gz LTJKXPOAWVMFCK-UHFFFAOYSA-N -1 0 334.401 2.417 20 5 EEBDRM CCCCN(CC)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573568936 469163532 /nfs/dbraw/zinc/16/35/32/469163532.db2.gz DSYINTBYIUUGGS-UHFFFAOYSA-N -1 0 330.362 2.104 20 5 EEBDRM O=C([O-])c1cnc(NCc2ccc(N3CCCC3)nc2)c([N+](=O)[O-])c1 ZINC000563207756 469199342 /nfs/dbraw/zinc/19/93/42/469199342.db2.gz SXNPGMDIPSZKNW-UHFFFAOYSA-N -1 0 343.343 2.295 20 5 EEBDRM CCOC(=O)c1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000611567720 469281767 /nfs/dbraw/zinc/28/17/67/469281767.db2.gz VCWHHTPPWLXXLC-UHFFFAOYSA-N -1 0 334.284 2.000 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccnn1C ZINC000616021686 469354739 /nfs/dbraw/zinc/35/47/39/469354739.db2.gz BCDVMUQDCBHIAA-ZDUSSCGKSA-N -1 0 332.360 2.204 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@H](C)CCCC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598584416 485618910 /nfs/dbraw/zinc/61/89/10/485618910.db2.gz LSZRJXMUTQZWSY-SNVBAGLBSA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000237657334 518181287 /nfs/dbraw/zinc/18/12/87/518181287.db2.gz CHIJLNOCHHODII-QGZVFWFLSA-N -1 0 347.371 2.132 20 5 EEBDRM CCCNC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCCC1 ZINC000183541525 528332507 /nfs/dbraw/zinc/33/25/07/528332507.db2.gz UMTDTBWHFBSUQV-UHFFFAOYSA-N -1 0 349.387 2.259 20 5 EEBDRM COc1ccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1[N+](=O)[O-] ZINC000262550762 536694924 /nfs/dbraw/zinc/69/49/24/536694924.db2.gz WXKLUTIOEJCSOD-UHFFFAOYSA-N -1 0 348.311 2.475 20 5 EEBDRM CSc1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000738198228 578003472 /nfs/dbraw/zinc/00/34/72/578003472.db2.gz AIQXMFNENXSBNZ-JTQLQIEISA-N -1 0 339.373 2.189 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N(CCC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000738305237 578008760 /nfs/dbraw/zinc/00/87/60/578008760.db2.gz KOTHUYKYZGGWEB-UHFFFAOYSA-N -1 0 339.304 2.137 20 5 EEBDRM COc1ccc(CC(=O)OCc2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000737984086 576020766 /nfs/dbraw/zinc/02/07/66/576020766.db2.gz IBRNPFZEBNKKRA-UHFFFAOYSA-N -1 0 335.268 2.181 20 5 EEBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)CCC(C)C)cc1[N+](=O)[O-] ZINC000732512340 577182922 /nfs/dbraw/zinc/18/29/22/577182922.db2.gz CTFDRIZOVRRBKQ-UHFFFAOYSA-N -1 0 346.430 2.422 20 5 EEBDRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000732513162 577183111 /nfs/dbraw/zinc/18/31/11/577183111.db2.gz IXHMDQAPAQHOQB-UHFFFAOYSA-N -1 0 340.357 2.447 20 5 EEBDRM Nc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000776650233 577465388 /nfs/dbraw/zinc/46/53/88/577465388.db2.gz GEYNACZTNHTABF-CYBMUJFWSA-N -1 0 349.730 2.386 20 5 EEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000752470224 577771433 /nfs/dbraw/zinc/77/14/33/577771433.db2.gz BSGHEJGCSGAUHH-SECBINFHSA-N -1 0 346.792 2.408 20 5 EEBDRM COC(OC)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000753088111 577781289 /nfs/dbraw/zinc/78/12/89/577781289.db2.gz RPBXQBODPRMHSP-CQSZACIVSA-N -1 0 346.339 2.390 20 5 EEBDRM COc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000756207822 577840298 /nfs/dbraw/zinc/84/02/98/577840298.db2.gz USZWEVDBHIEYSC-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM Cc1cccc(C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C(=O)[O-])c1 ZINC000738711692 578024614 /nfs/dbraw/zinc/02/46/14/578024614.db2.gz NSPITVJPWMJHOG-LBPRGKRZSA-N -1 0 332.312 2.170 20 5 EEBDRM Cc1nc2n(n1)C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000738882574 578029854 /nfs/dbraw/zinc/02/98/54/578029854.db2.gz ZXNKBZGXGWMBEP-QBODLPLBSA-N -1 0 343.343 2.019 20 5 EEBDRM Cc1nn(C)c(NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c1[N+](=O)[O-] ZINC000738916071 578030947 /nfs/dbraw/zinc/03/09/47/578030947.db2.gz UXWGANNIGOHGBD-LLVKDONJSA-N -1 0 336.323 2.131 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000739371394 578050712 /nfs/dbraw/zinc/05/07/12/578050712.db2.gz LPJUESKNYACYHL-GFCCVEGCSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([O-])N1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000739387200 578051523 /nfs/dbraw/zinc/05/15/23/578051523.db2.gz LDTCVLUSQWVJSR-SNVBAGLBSA-N -1 0 327.724 2.120 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccnc(C3CC3)n2)cc([N+](=O)[O-])c1 ZINC000740088993 578080366 /nfs/dbraw/zinc/08/03/66/578080366.db2.gz MVZGIFOUPQCADJ-UHFFFAOYSA-N -1 0 328.284 2.213 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000740164488 578083568 /nfs/dbraw/zinc/08/35/68/578083568.db2.gz WWSVTUQAAJBFER-UHFFFAOYSA-N -1 0 348.286 2.241 20 5 EEBDRM CN(CC(=O)OCc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000737406665 578255652 /nfs/dbraw/zinc/25/56/52/578255652.db2.gz OYJAEXNBPDSMKA-UHFFFAOYSA-N -1 0 347.121 2.010 20 5 EEBDRM CCNC(=O)c1cccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000737858804 578271397 /nfs/dbraw/zinc/27/13/97/578271397.db2.gz WVLOJTGUMRVHNC-UHFFFAOYSA-N -1 0 344.327 2.050 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737963657 578274719 /nfs/dbraw/zinc/27/47/19/578274719.db2.gz ZSIQDLLDQKZCLF-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM Cc1c(Br)cc(C(=O)O[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000820934023 597506250 /nfs/dbraw/zinc/50/62/50/597506250.db2.gz AGKVSYHXRVLCKE-ZCFIWIBFSA-N -1 0 332.106 2.296 20 5 EEBDRM CCOc1cccnc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000830117100 601138492 /nfs/dbraw/zinc/13/84/92/601138492.db2.gz PQJNSZHJWUVMTC-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM NC(COc1cccc(C(=O)[O-])c1)=NOCc1cccc([N+](=O)[O-])c1 ZINC000833089342 601352857 /nfs/dbraw/zinc/35/28/57/601352857.db2.gz NJYROEIZKUCHID-UHFFFAOYSA-N -1 0 345.311 2.370 20 5 EEBDRM CCCCC[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000829347140 601383076 /nfs/dbraw/zinc/38/30/76/601383076.db2.gz HBPYLPYLYXKFGX-LBPRGKRZSA-N -1 0 344.389 2.444 20 5 EEBDRM CCOC[C@@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829989402 601434162 /nfs/dbraw/zinc/43/41/62/601434162.db2.gz BEZXFJMCSQNYRY-SECBINFHSA-N -1 0 339.304 2.064 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000833123431 601595259 /nfs/dbraw/zinc/59/52/59/601595259.db2.gz SZXCNZQLAXZMSS-JTQLQIEISA-N -1 0 332.234 2.207 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000833090892 602014754 /nfs/dbraw/zinc/01/47/54/602014754.db2.gz VCUJWMBDLZVUQO-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM CC[C@]1(C)CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829051038 602151972 /nfs/dbraw/zinc/15/19/72/602151972.db2.gz ZOAPODPUUFAVRJ-MRXNPFEDSA-N -1 0 335.360 2.036 20 5 EEBDRM O=C([O-])c1ccc(OC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000833783336 604532612 /nfs/dbraw/zinc/53/26/12/604532612.db2.gz ZALIGEYMMFRGPX-LBPRGKRZSA-N -1 0 333.296 2.112 20 5 EEBDRM O=C([O-])c1ccc(OC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000833781641 604532677 /nfs/dbraw/zinc/53/26/77/604532677.db2.gz FJQOYSFITDZGJC-ZDUSSCGKSA-N -1 0 333.296 2.112 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000827097615 604837387 /nfs/dbraw/zinc/83/73/87/604837387.db2.gz TVRXDCSPFQDOQQ-UHFFFAOYSA-N -1 0 346.343 2.412 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000830643129 604906198 /nfs/dbraw/zinc/90/61/98/604906198.db2.gz DJIGKJPUNDKMPS-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM CC(C)(C(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833413516 604995594 /nfs/dbraw/zinc/99/55/94/604995594.db2.gz QAVIEFKCEXNJLB-SNVBAGLBSA-N -1 0 330.287 2.097 20 5 EEBDRM C[C@H](NC(=O)NC1CCN(C(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC000833523079 605048920 /nfs/dbraw/zinc/04/89/20/605048920.db2.gz WTWCLZMPGLRDKS-JTQLQIEISA-N -1 0 336.348 2.097 20 5 EEBDRM CC1(C2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)OCCO1 ZINC000833563991 605191165 /nfs/dbraw/zinc/19/11/65/605191165.db2.gz KKRIWRDPYVRJDH-UHFFFAOYSA-N -1 0 336.344 2.272 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000833638156 605287595 /nfs/dbraw/zinc/28/75/95/605287595.db2.gz LJKBPLFYHMNKLS-GZMMTYOYSA-N -1 0 330.287 2.302 20 5 EEBDRM CC(C)[C@@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833471032 605294113 /nfs/dbraw/zinc/29/41/13/605294113.db2.gz HENFTJYNGYIOQN-LBPRGKRZSA-N -1 0 339.304 2.062 20 5 EEBDRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CCC1 ZINC000176143706 677765208 /nfs/dbraw/zinc/76/52/08/677765208.db2.gz VYYZLHINIVRRST-UHFFFAOYSA-N -1 0 326.374 2.288 20 5 EEBDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000814023461 1199253197 /nfs/dbraw/zinc/25/31/97/1199253197.db2.gz YOTQRZAYXCWIDG-GFCCVEGCSA-N -1 0 337.357 2.134 20 5 EEBDRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000195299272 1211374191 /nfs/dbraw/zinc/37/41/91/1211374191.db2.gz AEGKCZKAPILGTC-UHFFFAOYSA-N -1 0 326.374 2.235 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc2ccccn2n1 ZINC000795616244 1214406363 /nfs/dbraw/zinc/40/63/63/1214406363.db2.gz VHBFMUSAFUUUEA-UHFFFAOYSA-N -1 0 336.304 2.182 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C1=CCCCCC1 ZINC000850886343 1277380635 /nfs/dbraw/zinc/38/06/35/1277380635.db2.gz UBKYXBCBOCSFMO-UHFFFAOYSA-N -1 0 342.348 2.429 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1N ZINC001211289406 1295801120 /nfs/dbraw/zinc/80/11/20/1295801120.db2.gz AASPQDDRQBZZDF-UHFFFAOYSA-N -1 0 325.321 2.425 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@](O)(c2ccccc2)C1 ZINC000862801858 1295968498 /nfs/dbraw/zinc/96/84/98/1295968498.db2.gz BPPTYGWWWHKIPQ-SFHVURJKSA-N -1 0 342.351 2.424 20 5 EEBDRM C[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001228603910 1302332877 /nfs/dbraw/zinc/33/28/77/1302332877.db2.gz NGFDUXURUBDIJF-SSDOTTSWSA-N -1 0 325.321 2.077 20 5 EEBDRM CC1(C)OC[C@H](COc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])O1 ZINC001228861068 1302489673 /nfs/dbraw/zinc/48/96/73/1302489673.db2.gz AFJDRWNDMUFOGU-LURJTMIESA-N -1 0 338.238 2.245 20 5 EEBDRM O=C1OCC[C@H]1Oc1cc2c3ccc(O)cc3oc(=O)c2cc1O ZINC001229803684 1302950169 /nfs/dbraw/zinc/95/01/69/1302950169.db2.gz QOYOHKUJPUWAFC-CYBMUJFWSA-N -1 0 328.276 2.052 20 5 EEBDRM C[C@@H](CC(=O)OC(C)(C)C)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231071906 1303611726 /nfs/dbraw/zinc/61/17/26/1303611726.db2.gz OWQXUBIFBQCMDL-LURJTMIESA-N -1 0 333.728 2.243 20 5 EEBDRM CCOC(=O)C[C@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001231258609 1303707341 /nfs/dbraw/zinc/70/73/41/1303707341.db2.gz AUMJPBZJPYQAPL-QMMMGPOBSA-N -1 0 338.238 2.267 20 5 EEBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC001117759235 1306162850 /nfs/dbraw/zinc/16/28/50/1306162850.db2.gz MNPXGZYODFVQBT-UHFFFAOYSA-N -1 0 332.403 2.175 20 5 EEBDRM O=C([O-])c1ccc(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)cc1F ZINC001602360974 1350504087 /nfs/dbraw/zinc/50/40/87/1350504087.db2.gz UWBCBMQYASDPPV-UHFFFAOYSA-N -1 0 343.274 2.134 20 5 EEBDRM O=C([O-])c1occc1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001602590793 1350552624 /nfs/dbraw/zinc/55/26/24/1350552624.db2.gz HPDMXRXZMIQFAU-OLZOCXBDSA-N -1 0 330.296 2.306 20 5 EEBDRM Nc1c(NC(=O)CCNc2ccccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001608269859 1351659860 /nfs/dbraw/zinc/65/98/60/1351659860.db2.gz CUTCUYITYGKESI-UHFFFAOYSA-N -1 0 344.327 2.316 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001608271814 1351660312 /nfs/dbraw/zinc/66/03/12/1351660312.db2.gz JQOBLBVXFSCPJX-HERUPUMHSA-N -1 0 333.344 2.035 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC001608356534 1351677835 /nfs/dbraw/zinc/67/78/35/1351677835.db2.gz RTAONYJMZFYURX-UHFFFAOYSA-N -1 0 343.295 2.226 20 5 EEBDRM O=C([O-])C1(CS(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])CCC1 ZINC001608575095 1351719366 /nfs/dbraw/zinc/71/93/66/1351719366.db2.gz YZRYTFMDLHWZOJ-UHFFFAOYSA-N -1 0 349.748 2.212 20 5 EEBDRM O=C([O-])CC1CC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001608691091 1351742231 /nfs/dbraw/zinc/74/22/31/1351742231.db2.gz SRHCIFYDJAKJDA-UHFFFAOYSA-N -1 0 344.726 2.299 20 5 EEBDRM O=C([O-])Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001608782175 1351762293 /nfs/dbraw/zinc/76/22/93/1351762293.db2.gz RSJQIDJEPURGEL-UHFFFAOYSA-N -1 0 346.251 2.349 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCC[C@@]1(O)CCCOC1 ZINC001608862835 1351780841 /nfs/dbraw/zinc/78/08/41/1351780841.db2.gz NIWLXRGWLMSOCU-AWEZNQCLSA-N -1 0 344.751 2.290 20 5 EEBDRM O=C([O-])c1ccc(F)c2c1CN(c1cc[nH]c(=O)c1[N+](=O)[O-])CC2 ZINC001608896965 1351789492 /nfs/dbraw/zinc/78/94/92/1351789492.db2.gz ZRDGVNXSLVMHRE-UHFFFAOYSA-N -1 0 333.275 2.095 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H]2CCC[C@]3(CCOC3)O2)c([N+](=O)[O-])c1 ZINC001608906099 1351790940 /nfs/dbraw/zinc/79/09/40/1351790940.db2.gz DFRHIBVUVFTGDV-BLLLJJGKSA-N -1 0 337.328 2.400 20 5 EEBDRM O=C([O-])c1ccccc1C(=O)c1ccc(NCCCO)c([N+](=O)[O-])c1 ZINC001608944942 1351800356 /nfs/dbraw/zinc/80/03/56/1351800356.db2.gz DZBYYZLYBZIZOX-UHFFFAOYSA-N -1 0 344.323 2.318 20 5 EEBDRM O=C([O-])[C@]12CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]1CCCC2 ZINC001609028699 1351819022 /nfs/dbraw/zinc/81/90/22/1351819022.db2.gz HNUHTXRUQFKJJX-QLJPJBMISA-N -1 0 336.319 2.451 20 5 EEBDRM CC(C)CN(CCC(=O)[O-])C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001609698578 1352062295 /nfs/dbraw/zinc/06/22/95/1352062295.db2.gz WWDKYMJGXCOULI-UHFFFAOYSA-N -1 0 342.323 2.072 20 5 EEBDRM C[C@@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)C(C)(C)C(=O)[O-] ZINC001609793420 1352086483 /nfs/dbraw/zinc/08/64/83/1352086483.db2.gz BHIHCCXGIOEYMZ-SSDOTTSWSA-N -1 0 343.719 2.473 20 5 EEBDRM C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609879575 1352109982 /nfs/dbraw/zinc/10/99/82/1352109982.db2.gz YDLSEWSUTAHUNL-PELKAZGASA-N -1 0 348.277 2.445 20 5 EEBDRM CC[C@@H](C)C[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001609903124 1352115712 /nfs/dbraw/zinc/11/57/12/1352115712.db2.gz BTKMHPIMDADFIP-OQPBUACISA-N -1 0 344.314 2.421 20 5 EEBDRM C[C@H]1CSCCN1c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C ZINC001350952725 1337775901 /nfs/dbraw/zinc/77/59/01/1337775901.db2.gz WBEDXLBCAGCLAA-VIFPVBQESA-N -1 0 335.389 2.038 20 5 EEBDRM CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C(C)(C)CC(=O)[O-] ZINC001610091707 1352159985 /nfs/dbraw/zinc/15/99/85/1352159985.db2.gz OQCYPJTXBCSFKH-UHFFFAOYSA-N -1 0 326.374 2.399 20 5 EEBDRM CN(C(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccccc1C(=O)[O-] ZINC001610092771 1352160159 /nfs/dbraw/zinc/16/01/59/1352160159.db2.gz LHXPUKFOSCYJDW-UHFFFAOYSA-N -1 0 344.327 2.030 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(C)(C)CC(=O)[O-] ZINC001610094759 1352160523 /nfs/dbraw/zinc/16/05/23/1352160523.db2.gz BKWACJKOQIDFLZ-UHFFFAOYSA-N -1 0 346.343 2.106 20 5 EEBDRM CNc1c(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001610148248 1352173472 /nfs/dbraw/zinc/17/34/72/1352173472.db2.gz WLJIWDTWJADDEH-AWEZNQCLSA-N -1 0 344.323 2.489 20 5 EEBDRM CO[C@H](CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C(C)C ZINC001610227756 1352190302 /nfs/dbraw/zinc/19/03/02/1352190302.db2.gz PBQSTLITWAIQBO-CYBMUJFWSA-N -1 0 339.348 2.394 20 5 EEBDRM COc1cc(C(=O)OCc2ccc(C(=O)[O-])cn2)cc([N+](=O)[O-])c1C ZINC001610289717 1352200694 /nfs/dbraw/zinc/20/06/94/1352200694.db2.gz VFTUVDKNCGBFSL-UHFFFAOYSA-N -1 0 346.295 2.362 20 5 EEBDRM Cc1c(NCc2ncnn2CC(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610427094 1352220980 /nfs/dbraw/zinc/22/09/80/1352220980.db2.gz LOIJHSRRPNKXGF-UHFFFAOYSA-N -1 0 333.348 2.461 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])n1 ZINC001610515234 1352236497 /nfs/dbraw/zinc/23/64/97/1352236497.db2.gz ZXODDCHCTJMBMC-ZDUSSCGKSA-N -1 0 335.291 2.381 20 5 EEBDRM O=C([O-])c1ccc(Br)cc1Cn1nccc1[N+](=O)[O-] ZINC001610819473 1352280347 /nfs/dbraw/zinc/28/03/47/1352280347.db2.gz GZPFCKAAVOFWAB-UHFFFAOYSA-N -1 0 326.106 2.300 20 5 EEBDRM O=C([O-])c1ccc2[nH]cc(C(=O)COc3cccnc3[N+](=O)[O-])c2c1 ZINC001610842720 1352284023 /nfs/dbraw/zinc/28/40/23/1352284023.db2.gz URYKSMZWAQPGFG-UHFFFAOYSA-N -1 0 341.279 2.431 20 5 EEBDRM O=C(CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)OC1CCCCC1 ZINC001592874521 1349720836 /nfs/dbraw/zinc/72/08/36/1349720836.db2.gz CQQRLFWPJUNEJT-UHFFFAOYSA-N -1 0 346.347 2.063 20 5 EEBDRM Cc1c(NC(=O)c2cnn(C)c2C2CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600049758 1349962150 /nfs/dbraw/zinc/96/21/50/1349962150.db2.gz WQUOVDPUCMEAGO-UHFFFAOYSA-N -1 0 344.327 2.465 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](c3nccs3)C2)n1 ZINC001600104971 1349972380 /nfs/dbraw/zinc/97/23/80/1349972380.db2.gz GLORDGSFILXQLL-SECBINFHSA-N -1 0 334.357 2.447 20 5 EEBDRM Cc1cc(N2CC[C@H](Nc3ncccn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600238952 1349999019 /nfs/dbraw/zinc/99/90/19/1349999019.db2.gz MJKZWMICRGAFTH-NSHDSACASA-N -1 0 343.343 2.082 20 5 EEBDRM Cc1cc(N2CCC[C@@H](C(=O)NC(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600240472 1349999613 /nfs/dbraw/zinc/99/96/13/1349999613.db2.gz MBLOODWOBWHJKL-GFCCVEGCSA-N -1 0 349.387 2.342 20 5 EEBDRM Cc1cc(OCC(=O)Nc2cncc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001600290361 1350012094 /nfs/dbraw/zinc/01/20/94/1350012094.db2.gz UAJOGIWUTPSYCO-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(CCF)C(=O)[O-])cc1Cl ZINC001600302585 1350015348 /nfs/dbraw/zinc/01/53/48/1350015348.db2.gz OYYNAWKSGRUOMX-ZDUSSCGKSA-N -1 0 332.715 2.489 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])n1 ZINC001600304555 1350015712 /nfs/dbraw/zinc/01/57/12/1350015712.db2.gz YJFDEKHACJXNRM-GFCCVEGCSA-N -1 0 335.360 2.309 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001600447032 1350053253 /nfs/dbraw/zinc/05/32/53/1350053253.db2.gz KBSQAWFLNFMERY-UHFFFAOYSA-N -1 0 346.343 2.444 20 5 EEBDRM Cc1ccc(OCC(=O)NC2(C(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC001600468321 1350058594 /nfs/dbraw/zinc/05/85/94/1350058594.db2.gz UJNDSKWKRYBCKU-UHFFFAOYSA-N -1 0 336.344 2.186 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C(=O)[O-])nc2)c1C ZINC001600486669 1350063146 /nfs/dbraw/zinc/06/31/46/1350063146.db2.gz CPFSGMIOYYSITP-UHFFFAOYSA-N -1 0 329.312 2.235 20 5 EEBDRM Cc1nc(N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001600711411 1350119573 /nfs/dbraw/zinc/11/95/73/1350119573.db2.gz DNUADAYYJRDALZ-UONOGXRCSA-N -1 0 343.339 2.308 20 5 EEBDRM Cn1ncc(CCCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC001601026136 1350193242 /nfs/dbraw/zinc/19/32/42/1350193242.db2.gz HIAPQSYYUSGXQG-UHFFFAOYSA-N -1 0 339.739 2.120 20 5 EEBDRM Nc1ccc(C(=O)OCc2cc(C(=O)[O-])ccc2F)cc1[N+](=O)[O-] ZINC001601214473 1350233290 /nfs/dbraw/zinc/23/32/90/1350233290.db2.gz BSHUQXGUMLKICW-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001601282997 1350248414 /nfs/dbraw/zinc/24/84/14/1350248414.db2.gz FKINNQVAQSTMPI-PBHICJAKSA-N -1 0 348.355 2.220 20 5 EEBDRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001601284850 1350248818 /nfs/dbraw/zinc/24/88/18/1350248818.db2.gz BAORJRSGMNYTAS-WCBMZHEXSA-N -1 0 342.735 2.457 20 5 EEBDRM O=C([O-])c1coc(COC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC001601351570 1350263966 /nfs/dbraw/zinc/26/39/66/1350263966.db2.gz FZSAFCUGVGNWHR-UHFFFAOYSA-N -1 0 341.222 2.450 20 5 EEBDRM O=C([O-])[C@@]1(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCSC1 ZINC001601431801 1350282631 /nfs/dbraw/zinc/28/26/31/1350282631.db2.gz SPYQQMMHLUXDQP-GFCCVEGCSA-N -1 0 348.739 2.077 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001601856433 1350381669 /nfs/dbraw/zinc/38/16/69/1350381669.db2.gz OBTINCHFSBMAJJ-SECBINFHSA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001602107292 1350439785 /nfs/dbraw/zinc/43/97/85/1350439785.db2.gz ULWNIXLSNAEGRY-GXSJLCMTSA-N -1 0 331.328 2.449 20 5 EEBDRM O=C([O-])Cc1ccc(N2CC[C@@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001602120705 1350443672 /nfs/dbraw/zinc/44/36/72/1350443672.db2.gz HEWOEKKOUABRNM-GFCCVEGCSA-N -1 0 328.328 2.006 20 5 EEBDRM O=C([O-])c1cc(F)ccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001602275367 1350483374 /nfs/dbraw/zinc/48/33/74/1350483374.db2.gz ROPIOMCIOWCRDA-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC(Nc3ccc(F)cc3)C2)n1 ZINC001602403729 1350511338 /nfs/dbraw/zinc/51/13/38/1350511338.db2.gz PRJLDDWTVCAFFB-UHFFFAOYSA-N -1 0 332.291 2.128 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2(OCCO)CCCCC2)c1 ZINC001602405141 1350511791 /nfs/dbraw/zinc/51/17/91/1350511791.db2.gz MINHUIQBTZFJLD-UHFFFAOYSA-N -1 0 338.360 2.417 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](n2cncn2)C(F)(F)F)c1 ZINC001602405452 1350512051 /nfs/dbraw/zinc/51/20/51/1350512051.db2.gz XEVOHJGHTXQEGY-JTQLQIEISA-N -1 0 345.237 2.100 20 5 EEBDRM O=C([O-])c1cnc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC001602522486 1350538138 /nfs/dbraw/zinc/53/81/38/1350538138.db2.gz INVVWVLYXFSAHB-WDEREUQCSA-N -1 0 347.352 2.169 20 5 EEBDRM O=C([O-])c1cncc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC001602539578 1350541847 /nfs/dbraw/zinc/54/18/47/1350541847.db2.gz SUZURKNBVZUUPQ-UHFFFAOYSA-N -1 0 343.251 2.186 20 5 EEBDRM O=C([O-])[C@]12CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001602622759 1350559809 /nfs/dbraw/zinc/55/98/09/1350559809.db2.gz LIYKEFMDEMGFTP-QLJPJBMISA-N -1 0 336.319 2.451 20 5 EEBDRM CC(C)(C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)c1ccccc1[N+](=O)[O-] ZINC001603238968 1350668200 /nfs/dbraw/zinc/66/82/00/1350668200.db2.gz BBZRUHGJYSOZJA-UHFFFAOYSA-N -1 0 345.311 2.310 20 5 EEBDRM CC(C)CO[C@H](C)C(N)=NOCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603822299 1350776431 /nfs/dbraw/zinc/77/64/31/1350776431.db2.gz LLFSPXLENJZGFF-SNVBAGLBSA-N -1 0 339.348 2.353 20 5 EEBDRM C[C@@H](CNC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccccc1[N+](=O)[O-] ZINC001604174767 1350883215 /nfs/dbraw/zinc/88/32/15/1350883215.db2.gz YKQLORJJEAJYLD-NSHDSACASA-N -1 0 343.339 2.150 20 5 EEBDRM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(C(=O)[O-])n1C ZINC001604825854 1351016402 /nfs/dbraw/zinc/01/64/02/1351016402.db2.gz MVHYROVEKVVUKL-SECBINFHSA-N -1 0 329.312 2.223 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001604929168 1351033844 /nfs/dbraw/zinc/03/38/44/1351033844.db2.gz BXASHZQMLUBINF-MWODSPESSA-N -1 0 326.324 2.453 20 5 EEBDRM COC(=O)Nc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001606500585 1351313061 /nfs/dbraw/zinc/31/30/61/1351313061.db2.gz UUAIIANUHJFHRJ-UHFFFAOYSA-N -1 0 346.299 2.478 20 5 EEBDRM COc1ccccc1C[C@@H](CNc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC001607345557 1351479069 /nfs/dbraw/zinc/47/90/69/1351479069.db2.gz QBKHZBYIJVHRBQ-LBPRGKRZSA-N -1 0 331.328 2.354 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001607410867 1351490397 /nfs/dbraw/zinc/49/03/97/1351490397.db2.gz RSKSUBHQLKLRJR-WPRPVWTQSA-N -1 0 346.311 2.012 20 5 EEBDRM Cc1c(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607546815 1351514075 /nfs/dbraw/zinc/51/40/75/1351514075.db2.gz HBAUSXISKWZCFH-NURSFMCSSA-N -1 0 334.328 2.355 20 5 EEBDRM Cc1cc(C(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)cc([N+](=O)[O-])c1 ZINC001607574609 1351518273 /nfs/dbraw/zinc/51/82/73/1351518273.db2.gz CNDJSDZBEZISTA-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001607601742 1351522290 /nfs/dbraw/zinc/52/22/90/1351522290.db2.gz JMOVTKGNEBHXGO-UHFFFAOYSA-N -1 0 346.295 2.098 20 5 EEBDRM Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)ncc1C(=O)[O-] ZINC001607679549 1351538087 /nfs/dbraw/zinc/53/80/87/1351538087.db2.gz SPELGWAPKQOGLP-UHFFFAOYSA-N -1 0 345.311 2.322 20 5 EEBDRM Cc1nccnc1[C@H](C)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001607990867 1351599295 /nfs/dbraw/zinc/59/92/95/1351599295.db2.gz HZABQQRZUXYRRE-NSHDSACASA-N -1 0 346.343 2.007 20 5 EEBDRM Cc1sc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC001608072829 1351618822 /nfs/dbraw/zinc/61/88/22/1351618822.db2.gz INGCTVHTKUZQPH-UHFFFAOYSA-N -1 0 337.313 2.324 20 5 EEBDRM Cc1n[nH]c(C(=O)NCC2(Nc3ccc([N+](=O)[O-])cc3)CCC2)c1[O-] ZINC001111798150 1371254977 /nfs/dbraw/zinc/25/49/77/1371254977.db2.gz DHFYLGNDZUTDJS-UHFFFAOYSA-N -1 0 345.359 2.097 20 5 EEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CC1CC1 ZINC000839057608 1372886102 /nfs/dbraw/zinc/88/61/02/1372886102.db2.gz MGJFPJHSXCROHJ-UHFFFAOYSA-N -1 0 341.389 2.022 20 5 EEBDRM COC(=O)[C@@](C)(NCc1ccc(C(=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC001606320819 1404792004 /nfs/dbraw/zinc/79/20/04/1404792004.db2.gz SEFNCYJFRBTCCX-INIZCTEOSA-N -1 0 348.311 2.064 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@@H]2CCn3ccnc3C2)c([N+](=O)[O-])c1 ZINC000844215502 788934344 /nfs/dbraw/zinc/93/43/44/788934344.db2.gz QMXXUXSYXCXUNP-FXMSTWTQSA-N -1 0 328.328 2.316 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc2c1CCC2 ZINC000193591162 796165033 /nfs/dbraw/zinc/16/50/33/796165033.db2.gz NRQMOWLHBQZXGW-UHFFFAOYSA-N -1 0 346.364 2.202 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc3c(c2)OCC(=O)N3)cc1[N+](=O)[O-] ZINC001174505428 797784903 /nfs/dbraw/zinc/78/49/03/797784903.db2.gz XIEHJYFSRBNWQZ-UHFFFAOYSA-N -1 0 329.268 2.368 20 5 EEBDRM O=C([O-])c1ccc(Nc2cccc3c2CC(=O)NC3)cc1[N+](=O)[O-] ZINC001174505352 797785002 /nfs/dbraw/zinc/78/50/02/797785002.db2.gz CHTNIJWPRQJKNJ-UHFFFAOYSA-N -1 0 327.296 2.209 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000154156939 797868093 /nfs/dbraw/zinc/86/80/93/797868093.db2.gz LKIZIANBGFVPMN-LKFCYVNXSA-N -1 0 334.303 2.291 20 5 EEBDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000786661429 806832994 /nfs/dbraw/zinc/83/29/94/806832994.db2.gz LMBZPEUQVSQNAU-UHFFFAOYSA-N -1 0 334.353 2.276 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000121324871 803479225 /nfs/dbraw/zinc/47/92/25/803479225.db2.gz ZXEPFEPQAXXIIL-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM O=C([O-])c1ccc(N[C@H]2C(=O)NCc3ccccc32)cc1[N+](=O)[O-] ZINC001169889207 804149231 /nfs/dbraw/zinc/14/92/31/804149231.db2.gz PRNYDUYXXWJKGU-CQSZACIVSA-N -1 0 327.296 2.076 20 5 EEBDRM CN1Cc2cccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)c2C1 ZINC000794042572 810649293 /nfs/dbraw/zinc/64/92/93/810649293.db2.gz NSDIOECCVPBKLO-UHFFFAOYSA-N -1 0 339.398 2.403 20 5 EEBDRM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000804475984 810877010 /nfs/dbraw/zinc/87/70/10/810877010.db2.gz JPXHKCFOQPLBEL-BZNIZROVSA-N -1 0 330.340 2.461 20 5 EEBDRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CO1 ZINC001595004277 951176997 /nfs/dbraw/zinc/17/69/97/951176997.db2.gz IZPFYYKMQKSZIW-PSASIEDQSA-N -1 0 342.735 2.457 20 5 EEBDRM O=C([O-])Cn1cc(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)cn1 ZINC001595147968 952123224 /nfs/dbraw/zinc/12/32/24/952123224.db2.gz MJVDOPMPOZBJCJ-UHFFFAOYSA-N -1 0 328.231 2.221 20 5 EEBDRM C[C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)[O-] ZINC001589320537 953863834 /nfs/dbraw/zinc/86/38/34/953863834.db2.gz NSDSEPUGZKJRQT-CABZTGNLSA-N -1 0 342.298 2.398 20 5 EEBDRM CC(C)[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001602978552 971995580 /nfs/dbraw/zinc/99/55/80/971995580.db2.gz YFKNSUZSPMJTGX-GFCCVEGCSA-N -1 0 326.324 2.140 20 5 EEBDRM CC(C)[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C(=O)[O-] ZINC001602991663 972019273 /nfs/dbraw/zinc/01/92/73/972019273.db2.gz PSGSDSAZXBCELW-NSHDSACASA-N -1 0 333.344 2.215 20 5 EEBDRM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)[C@@H]3CC3[N+](=O)[O-])sc2[C@H](C)O1 ZINC001589412495 954529157 /nfs/dbraw/zinc/52/91/57/954529157.db2.gz ZBYVMDDSCBYFFE-XZMZPDFPSA-N -1 0 340.357 2.072 20 5 EEBDRM Nc1c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC001594660263 956527069 /nfs/dbraw/zinc/52/70/69/956527069.db2.gz UYXYJCUJMSZPLQ-OLZOCXBDSA-N -1 0 341.323 2.220 20 5 EEBDRM CON(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)C(=O)[O-] ZINC001594034245 957794473 /nfs/dbraw/zinc/79/44/73/957794473.db2.gz BVMPUGKUAAPFFU-QMMMGPOBSA-N -1 0 330.724 2.044 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)ccn1 ZINC001574789290 957800046 /nfs/dbraw/zinc/80/00/46/957800046.db2.gz CYWHLWJDWVWQBR-QWHCGFSZSA-N -1 0 327.296 2.430 20 5 EEBDRM COc1cc(C(=O)Nc2cccnc2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001594050419 957979698 /nfs/dbraw/zinc/97/96/98/957979698.db2.gz BCVSRPZRAJUYHB-UHFFFAOYSA-N -1 0 335.247 2.088 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001594112817 958535318 /nfs/dbraw/zinc/53/53/18/958535318.db2.gz UKNNNTFNCXYGIB-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM CN(C)c1nnc(Sc2cc(C(=O)[O-])ccc2[N+](=O)[O-])s1 ZINC000211489050 959689707 /nfs/dbraw/zinc/68/97/07/959689707.db2.gz GZTDTXGSOVCJKK-UHFFFAOYSA-N -1 0 326.359 2.362 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001254211520 960651985 /nfs/dbraw/zinc/65/19/85/960651985.db2.gz XSZOWBPYLHEZFX-AWEZNQCLSA-N -1 0 343.339 2.235 20 5 EEBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC001573820391 960947444 /nfs/dbraw/zinc/94/74/44/960947444.db2.gz KNYSRAJKQFHENQ-HNNXBMFYSA-N -1 0 339.323 2.033 20 5 EEBDRM CC[C@H](C)[C@H](NCc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC001573942373 961614825 /nfs/dbraw/zinc/61/48/25/961614825.db2.gz FBGWSPYXNMQDRD-ZANVPECISA-N -1 0 334.332 2.234 20 5 EEBDRM O=C([O-])c1c(NC(=O)Cc2cccc([N+](=O)[O-])c2)nc2ccccn21 ZINC001574537972 961926917 /nfs/dbraw/zinc/92/69/17/961926917.db2.gz DPQIKHQVUDCRCU-UHFFFAOYSA-N -1 0 340.295 2.122 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001574015784 961945520 /nfs/dbraw/zinc/94/55/20/961945520.db2.gz MPVGBVYULIOXDH-OAHLLOKOSA-N -1 0 334.372 2.487 20 5 EEBDRM CC[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC001603556769 973639986 /nfs/dbraw/zinc/63/99/86/973639986.db2.gz MZLQNLLCKVIWBL-GFCCVEGCSA-N -1 0 335.360 2.380 20 5 EEBDRM CC[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(=O)[O-] ZINC001603567906 973699805 /nfs/dbraw/zinc/69/98/05/973699805.db2.gz MDUJWQTXYFZGKK-NSHDSACASA-N -1 0 343.339 2.497 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001603661837 974036201 /nfs/dbraw/zinc/03/62/01/974036201.db2.gz WVIXMGXXRBFLCG-UHFFFAOYSA-N -1 0 332.259 2.133 20 5 EEBDRM CC(C)O[C@@]1(COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CCOC1 ZINC001591697218 975544552 /nfs/dbraw/zinc/54/45/52/975544552.db2.gz XCTSTTNBMZMWAR-HNNXBMFYSA-N -1 0 325.317 2.256 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC001592290098 977610266 /nfs/dbraw/zinc/61/02/66/977610266.db2.gz DBAAABAZUXDNCQ-OAHLLOKOSA-N -1 0 338.385 2.447 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001592291993 977626615 /nfs/dbraw/zinc/62/66/15/977626615.db2.gz YYNYJNOJDAIUDL-QGZVFWFLSA-N -1 0 343.339 2.039 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC001592308124 977674013 /nfs/dbraw/zinc/67/40/13/977674013.db2.gz FXOKTTIDTQJJOB-INIZCTEOSA-N -1 0 347.302 2.249 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])s1)c1ccncc1 ZINC001592309325 977678710 /nfs/dbraw/zinc/67/87/10/977678710.db2.gz RPTODLXINRNNCC-AWEZNQCLSA-N -1 0 335.341 2.171 20 5 EEBDRM CC(C)c1nnc(CCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000827168557 978953722 /nfs/dbraw/zinc/95/37/22/978953722.db2.gz MJXOLNXMUYCQDE-UHFFFAOYSA-N -1 0 348.315 2.371 20 5 EEBDRM C/C(=C\COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000833382086 979176186 /nfs/dbraw/zinc/17/61/86/979176186.db2.gz GGHTVHXSJQYYOR-RMKNXTFCSA-N -1 0 338.272 2.010 20 5 EEBDRM CCC(CC)(NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)[O-] ZINC001595101707 979411389 /nfs/dbraw/zinc/41/13/89/979411389.db2.gz YXNIJIBIUQBKSI-UHFFFAOYSA-N -1 0 334.332 2.378 20 5 EEBDRM CC[C@@H](O)[C@H]1CCCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595327358 980546833 /nfs/dbraw/zinc/54/68/33/980546833.db2.gz SPBKYSIIJLMOSW-ZIAGYGMSSA-N -1 0 336.344 2.059 20 5 EEBDRM CC[C@@H](C)C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(=O)[O-] ZINC001594954111 982684741 /nfs/dbraw/zinc/68/47/41/982684741.db2.gz ZBXQYDMQWXPGOZ-BXKDBHETSA-N -1 0 344.389 2.300 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001596309143 983737849 /nfs/dbraw/zinc/73/78/49/983737849.db2.gz WBGKTUSAGTXWMZ-UHFFFAOYSA-N -1 0 332.259 2.133 20 5 EEBDRM CCOC(=O)c1cnc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)nc1C ZINC001596740204 985044963 /nfs/dbraw/zinc/04/49/63/985044963.db2.gz XBYLPIHQWPBUPV-UHFFFAOYSA-N -1 0 347.283 2.360 20 5 EEBDRM Cc1[nH]c(C(=O)[C@@H](C)Oc2cccnc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC001599948961 985574932 /nfs/dbraw/zinc/57/49/32/985574932.db2.gz UMGKXVMTRUSRIE-SECBINFHSA-N -1 0 333.300 2.283 20 5 EEBDRM Cc1c(C(=O)NC(C)(C)c2nocc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001599978051 986122201 /nfs/dbraw/zinc/12/22/01/986122201.db2.gz QLOOFCKFZCMMGO-UHFFFAOYSA-N -1 0 333.300 2.255 20 5 EEBDRM CCC(=O)NC1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001594707804 987163722 /nfs/dbraw/zinc/16/37/22/987163722.db2.gz LKBKZOCKQKSBGP-UHFFFAOYSA-N -1 0 335.360 2.096 20 5 EEBDRM CCn1cccc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])c1=O ZINC001597911763 989811579 /nfs/dbraw/zinc/81/15/79/989811579.db2.gz OFSQSXDCDLOAHK-UHFFFAOYSA-N -1 0 331.328 2.395 20 5 EEBDRM CCn1cnnc1CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001597923168 989861827 /nfs/dbraw/zinc/86/18/27/989861827.db2.gz IXYHRTVITXKDDP-UHFFFAOYSA-N -1 0 339.739 2.212 20 5 EEBDRM CN(C)C(=O)OCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598146034 990621031 /nfs/dbraw/zinc/62/10/31/990621031.db2.gz WGWQXTYIXGENEX-UHFFFAOYSA-N -1 0 331.712 2.057 20 5 EEBDRM CC(C)C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001591149293 991889466 /nfs/dbraw/zinc/88/94/66/991889466.db2.gz SWKQPCQOUFFYEQ-VIFPVBQESA-N -1 0 344.314 2.279 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NC(C2CC2)C2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170449 994026795 /nfs/dbraw/zinc/02/67/95/994026795.db2.gz LRTXJJFMICHRJD-SECBINFHSA-N -1 0 347.371 2.398 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccncc1C(=O)[O-] ZINC001599622255 994100475 /nfs/dbraw/zinc/10/04/75/994100475.db2.gz GFDMQUJLWRJVIE-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM C[C@@H](Oc1ccccn1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001593655999 996022815 /nfs/dbraw/zinc/02/28/15/996022815.db2.gz QCVLOUYTAAHLII-SECBINFHSA-N -1 0 331.284 2.094 20 5 EEBDRM C[C@@H](c1ccccc1)[C@H](O)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001593706260 996195413 /nfs/dbraw/zinc/19/54/13/996195413.db2.gz ORIYBHMFBHGIKE-IINYFYTJSA-N -1 0 331.328 2.265 20 5 EEBDRM CC1(C)CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001593923842 996842856 /nfs/dbraw/zinc/84/28/56/996842856.db2.gz VYYWIRIPXWPYJX-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM CO[C@@]1(C)CCCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599085578 997091299 /nfs/dbraw/zinc/09/12/99/997091299.db2.gz IABUMALTMVPEOD-AWEZNQCLSA-N -1 0 339.304 2.207 20 5 EEBDRM COc1cc(CN(C)Cc2ccc(C(=O)[O-])cn2)c([N+](=O)[O-])cc1F ZINC001599405402 997287987 /nfs/dbraw/zinc/28/79/87/997287987.db2.gz ZVMCGQGSFDCPGE-UHFFFAOYSA-N -1 0 349.318 2.468 20 5 EEBDRM CON(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H](C)CC(=O)[O-] ZINC001599314866 997481057 /nfs/dbraw/zinc/48/10/57/997481057.db2.gz XVQSWUKWKLHIRA-LURJTMIESA-N -1 0 334.687 2.254 20 5 EEBDRM COc1cc(NCc2ccnc(C(=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC001599443243 997964090 /nfs/dbraw/zinc/96/40/90/997964090.db2.gz DXOQDZZULXHGRU-UHFFFAOYSA-N -1 0 333.300 2.317 20 5 EEBDRM COc1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc([N+](=O)[O-])c1C ZINC001599350597 998087496 /nfs/dbraw/zinc/08/74/96/998087496.db2.gz DIHJYJNAAUCIOB-JTQLQIEISA-N -1 0 336.344 2.380 20 5 EEBDRM COc1cc([N+](=O)[O-])cnc1N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001599463332 998313353 /nfs/dbraw/zinc/31/33/53/998313353.db2.gz WYUOULUVFLDLIN-QGZVFWFLSA-N -1 0 343.339 2.231 20 5 EEBDRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001598967895 998457431 /nfs/dbraw/zinc/45/74/31/998457431.db2.gz MSDCMMBQAUYPCV-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000192927551 237350938 /nfs/dbraw/zinc/35/09/38/237350938.db2.gz HHELIBHQPHBZOJ-ZDUSSCGKSA-N -1 0 327.296 2.127 20 5 EEBDRM O=C(Nc1c[nH]nc1-c1nccs1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000446605917 242204716 /nfs/dbraw/zinc/20/47/16/242204716.db2.gz SVCVMGPMRVYVFZ-UHFFFAOYSA-N -1 0 331.313 2.399 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236730453 296104970 /nfs/dbraw/zinc/10/49/70/296104970.db2.gz XNHRYSNVONEISS-LLVKDONJSA-N -1 0 335.360 2.034 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000492159890 246329949 /nfs/dbraw/zinc/32/99/49/246329949.db2.gz ZMNWLWZXDPCHKR-QDOCKXBDSA-N -1 0 348.330 2.460 20 5 EEBDRM CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000492536166 246507980 /nfs/dbraw/zinc/50/79/80/246507980.db2.gz OZUGMZFGGAIRET-FPLPWBNLSA-N -1 0 330.337 2.141 20 5 EEBDRM COC(=O)N[C@@H](CC(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000270394923 256131212 /nfs/dbraw/zinc/13/12/12/256131212.db2.gz IHXJUIQRLTUFCG-NSHDSACASA-N -1 0 325.321 2.010 20 5 EEBDRM Cc1ccnc([C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C2CC2)n1 ZINC000119399482 292245054 /nfs/dbraw/zinc/24/50/54/292245054.db2.gz HADBJWJXVOOVLM-CQSZACIVSA-N -1 0 328.328 2.280 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000262696824 152308474 /nfs/dbraw/zinc/30/84/74/152308474.db2.gz BGPNLSXCIBNFMU-XPTSAGLGSA-N -1 0 342.348 2.101 20 5 EEBDRM COc1cc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC000262915430 152338978 /nfs/dbraw/zinc/33/89/78/152338978.db2.gz DZVXSGSELXSLAG-MRXNPFEDSA-N -1 0 336.344 2.239 20 5 EEBDRM CCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000262975597 152349194 /nfs/dbraw/zinc/34/91/94/152349194.db2.gz MYBHDVJCYBXJOZ-PWSUYJOCSA-N -1 0 336.344 2.176 20 5 EEBDRM CCCC[C@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000263180033 152395526 /nfs/dbraw/zinc/39/55/26/152395526.db2.gz LNFVKAMBXYXIRB-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263247138 152408563 /nfs/dbraw/zinc/40/85/63/152408563.db2.gz OLIJZTZTRKLPRX-WCQYABFASA-N -1 0 335.360 2.470 20 5 EEBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000355889553 153189505 /nfs/dbraw/zinc/18/95/05/153189505.db2.gz RRBJYJOKLKBLOJ-UHFFFAOYSA-N -1 0 340.288 2.263 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cn(Cc2cccs2)nn1 ZINC000089541017 159182512 /nfs/dbraw/zinc/18/25/12/159182512.db2.gz LLSKXUMPZZXJGB-UHFFFAOYSA-N -1 0 345.340 2.254 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119172829 159373446 /nfs/dbraw/zinc/37/34/46/159373446.db2.gz CUBYYRDAYBDDNO-NSHDSACASA-N -1 0 345.359 2.280 20 5 EEBDRM NC(=O)c1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000186037698 160056497 /nfs/dbraw/zinc/05/64/97/160056497.db2.gz SKPLRCGIHXTHQQ-UHFFFAOYSA-N -1 0 341.732 2.367 20 5 EEBDRM O=C(c1ccc(F)cc1[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188571405 160125599 /nfs/dbraw/zinc/12/55/99/160125599.db2.gz KGHLUPKLQNZOFW-UHFFFAOYSA-N -1 0 332.287 2.343 20 5 EEBDRM CC(=O)NCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000354946533 163027859 /nfs/dbraw/zinc/02/78/59/163027859.db2.gz BWNCUDFLBVYYHQ-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000364365798 165112623 /nfs/dbraw/zinc/11/26/23/165112623.db2.gz SKJAXKLBROXYFA-CQSZACIVSA-N -1 0 330.344 2.320 20 5 EEBDRM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274848335 269063670 /nfs/dbraw/zinc/06/36/70/269063670.db2.gz VJEHGXRRLLOISL-UHFFFAOYSA-N -1 0 338.360 2.493 20 5 EEBDRM CNC(=O)c1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000181874567 274009214 /nfs/dbraw/zinc/00/92/14/274009214.db2.gz WTGDKJBPPHMOQJ-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM CCc1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cn1 ZINC000191798453 274052669 /nfs/dbraw/zinc/05/26/69/274052669.db2.gz SPGCNJXWOISBBH-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000288312213 275045145 /nfs/dbraw/zinc/04/51/45/275045145.db2.gz HUAMOLPVORGKHS-RXMQYKEDSA-N -1 0 332.687 2.477 20 5 EEBDRM C[C@@H](CC(C)(C)C)NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000414337646 313000179 /nfs/dbraw/zinc/00/01/79/313000179.db2.gz DTAAJXJTGNKKCU-VIFPVBQESA-N -1 0 344.389 2.396 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccccc2SC)c([N+](=O)[O-])n1 ZINC000435729490 314920907 /nfs/dbraw/zinc/92/09/07/314920907.db2.gz UNPOUQTWURSJHG-UHFFFAOYSA-N -1 0 342.402 2.334 20 5 EEBDRM O=C(Nc1cccc(N2CCC2=O)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436805688 315000265 /nfs/dbraw/zinc/00/02/65/315000265.db2.gz FTINNRCABRRZTI-UHFFFAOYSA-N -1 0 327.296 2.289 20 5 EEBDRM COc1ccc(OC)c(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436861663 315007396 /nfs/dbraw/zinc/00/73/96/315007396.db2.gz UNCGDNGZALAJFJ-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM COC(=O)c1cc(OC)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436870119 315008273 /nfs/dbraw/zinc/00/82/73/315008273.db2.gz ORJANZYGIWJPQE-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436923733 315012553 /nfs/dbraw/zinc/01/25/53/315012553.db2.gz DWKNOAIHAPWWFB-UHFFFAOYSA-N -1 0 342.311 2.296 20 5 EEBDRM O=C(NCCc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436942828 315014839 /nfs/dbraw/zinc/01/48/39/315014839.db2.gz JGOZJKSSSQBBPQ-UHFFFAOYSA-N -1 0 344.323 2.044 20 5 EEBDRM COc1ccnc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000089641991 441566404 /nfs/dbraw/zinc/56/64/04/441566404.db2.gz MZNOFIWHDYJENP-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CNC(=O)Oc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000495767839 316098815 /nfs/dbraw/zinc/09/88/15/316098815.db2.gz FLZVQIKBXDSVEW-UHFFFAOYSA-N -1 0 331.284 2.271 20 5 EEBDRM C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000541729684 318107464 /nfs/dbraw/zinc/10/74/64/318107464.db2.gz QOTGQSYBBHESBY-LBPRGKRZSA-N -1 0 330.340 2.324 20 5 EEBDRM Cc1cc(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000548551492 318395599 /nfs/dbraw/zinc/39/55/99/318395599.db2.gz KUGKXMQVNCEHGZ-LLVKDONJSA-N -1 0 344.389 2.084 20 5 EEBDRM Cc1ccnc(N2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000563712287 319038995 /nfs/dbraw/zinc/03/89/95/319038995.db2.gz CREJHPFFOMRCHB-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM COc1ccc(COCCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000563889374 319053001 /nfs/dbraw/zinc/05/30/01/319053001.db2.gz SHBFIFYKOGDNMC-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM Cc1cc(NC[C@H](O)COCC(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566294094 319271089 /nfs/dbraw/zinc/27/10/89/319271089.db2.gz RPJSCOSIBBMMTP-NSHDSACASA-N -1 0 326.349 2.047 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)CC(=O)[O-] ZINC000566504827 319295838 /nfs/dbraw/zinc/29/58/38/319295838.db2.gz AWXNSTPIJHVIQX-NXEZZACHSA-N -1 0 326.374 2.397 20 5 EEBDRM COCCOC1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000566858327 319327373 /nfs/dbraw/zinc/32/73/73/319327373.db2.gz MRYNAQLAHSITDU-UHFFFAOYSA-N -1 0 338.360 2.233 20 5 EEBDRM COC(=O)[C@H](CC1CC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566858060 319327527 /nfs/dbraw/zinc/32/75/27/319327527.db2.gz UDMFNAYWPYNUFU-JTQLQIEISA-N -1 0 342.735 2.025 20 5 EEBDRM CC(C)CCc1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000568761569 319517089 /nfs/dbraw/zinc/51/70/89/319517089.db2.gz AICHWTVRGMQUSV-UHFFFAOYSA-N -1 0 340.361 2.367 20 5 EEBDRM CN(C[C@H]1CCCOC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000575805974 320116093 /nfs/dbraw/zinc/11/60/93/320116093.db2.gz IDVHKCUTHDBKAV-SECBINFHSA-N -1 0 328.752 2.452 20 5 EEBDRM COC(=O)[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])c2ccccc2O1 ZINC000576651891 320192448 /nfs/dbraw/zinc/19/24/48/320192448.db2.gz WDFMAEBNXGOURJ-MRXNPFEDSA-N -1 0 344.323 2.241 20 5 EEBDRM O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000577286072 320247037 /nfs/dbraw/zinc/24/70/37/320247037.db2.gz NLKANKGYIKVMKB-LBPRGKRZSA-N -1 0 332.316 2.084 20 5 EEBDRM CC(C)[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000578132097 320296407 /nfs/dbraw/zinc/29/64/07/320296407.db2.gz NUSXLCZEGSZRIY-HNNXBMFYSA-N -1 0 349.387 2.037 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC000579188442 323793834 /nfs/dbraw/zinc/79/38/34/323793834.db2.gz BKKSRKDEYXCKJL-CYBMUJFWSA-N -1 0 331.284 2.248 20 5 EEBDRM COCCOc1ccccc1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581729128 324312123 /nfs/dbraw/zinc/31/21/23/324312123.db2.gz KDOVXMZVCOPKQL-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cc3ccccn3n2)ccc1[N+](=O)[O-] ZINC000516752839 448467992 /nfs/dbraw/zinc/46/79/92/448467992.db2.gz OKPUEYFRCDVYKY-UHFFFAOYSA-N -1 0 332.341 2.352 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2Cc3ccccc3O2)n1 ZINC000518984530 448729185 /nfs/dbraw/zinc/72/91/85/448729185.db2.gz AANOANKONHLQAW-LLVKDONJSA-N -1 0 329.312 2.412 20 5 EEBDRM COc1ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000326341952 465036885 /nfs/dbraw/zinc/03/68/85/465036885.db2.gz SBYGHLTZLXUEJK-SNVBAGLBSA-N -1 0 339.348 2.472 20 5 EEBDRM CC(C)c1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000358491454 465155027 /nfs/dbraw/zinc/15/50/27/465155027.db2.gz KAGMZJRBWZIQKE-UHFFFAOYSA-N -1 0 340.336 2.448 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cncc(F)c2)c2ncccc12 ZINC000337301379 465293967 /nfs/dbraw/zinc/29/39/67/465293967.db2.gz RHNJABVPTUPGFH-UHFFFAOYSA-N -1 0 348.315 2.478 20 5 EEBDRM Cn1cc(-c2ncccc2NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000590552069 468271793 /nfs/dbraw/zinc/27/17/93/468271793.db2.gz XUMIJNISNFBOAA-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM Cc1cncc(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000120838822 463043916 /nfs/dbraw/zinc/04/39/16/463043916.db2.gz CKKANNOKNNTOME-UHFFFAOYSA-N -1 0 335.385 2.394 20 5 EEBDRM Cc1[nH]nc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1[O-] ZINC000590775120 468335887 /nfs/dbraw/zinc/33/58/87/468335887.db2.gz JXVHJXYDJKJHNV-LBPRGKRZSA-N -1 0 330.344 2.352 20 5 EEBDRM CCOc1ncccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172182976 464010835 /nfs/dbraw/zinc/01/08/35/464010835.db2.gz OJHUANSETIVCEH-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM CC(C)(CCC(=O)[O-])Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000263425086 464102502 /nfs/dbraw/zinc/10/25/02/464102502.db2.gz QYALRXGBFWTAMN-UHFFFAOYSA-N -1 0 336.391 2.115 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000263509082 464118659 /nfs/dbraw/zinc/11/86/59/464118659.db2.gz MUSNPMKVYRTROY-WDEREUQCSA-N -1 0 338.385 2.399 20 5 EEBDRM CC(C)c1ccc(C(=O)NCCSCC(=O)[O-])cc1[N+](=O)[O-] ZINC000263551838 464127483 /nfs/dbraw/zinc/12/74/83/464127483.db2.gz WTZSFVPMIITSJR-UHFFFAOYSA-N -1 0 326.374 2.266 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000292270207 464179894 /nfs/dbraw/zinc/17/98/94/464179894.db2.gz WSSUSJDTVXEXGQ-NSHDSACASA-N -1 0 336.735 2.238 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@](CO)(c2ccccc2)C1 ZINC000292354104 464204930 /nfs/dbraw/zinc/20/49/30/464204930.db2.gz XOVPNOSBFLGIFW-GOSISDBHSA-N -1 0 342.351 2.077 20 5 EEBDRM CN(CCC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000237230732 464288777 /nfs/dbraw/zinc/28/87/77/464288777.db2.gz CBBQBFZDCUSKNS-UHFFFAOYSA-N -1 0 335.360 2.132 20 5 EEBDRM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000240744035 464448250 /nfs/dbraw/zinc/44/82/50/464448250.db2.gz HTZRHUBYAHGGPF-KCPJHIHWSA-N -1 0 332.356 2.378 20 5 EEBDRM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181784011 464527590 /nfs/dbraw/zinc/52/75/90/464527590.db2.gz NMFIJQNRADTJEF-AWEZNQCLSA-N -1 0 345.355 2.460 20 5 EEBDRM O=C(NCCOc1ncccc1Cl)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182110086 464572066 /nfs/dbraw/zinc/57/20/66/464572066.db2.gz RWTLZWGAMLGOQX-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000248515888 464761203 /nfs/dbraw/zinc/76/12/03/464761203.db2.gz OLBSXEXLRQSSMN-MNDBLIDSSA-N -1 0 340.401 2.110 20 5 EEBDRM Cc1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000176592952 464806982 /nfs/dbraw/zinc/80/69/82/464806982.db2.gz XMOXGPQRIKLITK-UHFFFAOYSA-N -1 0 334.766 2.209 20 5 EEBDRM C[C@@H]1Cc2ccccc2N1CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356454570 465392306 /nfs/dbraw/zinc/39/23/06/465392306.db2.gz DEWIQKLIQQLPRY-GFCCVEGCSA-N -1 0 341.367 2.481 20 5 EEBDRM CC(C)(C)CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000362230003 465589774 /nfs/dbraw/zinc/58/97/74/465589774.db2.gz UJQRBUBHBRYDRT-LBPRGKRZSA-N -1 0 344.389 2.153 20 5 EEBDRM CCOC(=O)CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC000356937618 465643611 /nfs/dbraw/zinc/64/36/11/465643611.db2.gz QSTOWVVOGZAAQV-UHFFFAOYSA-N -1 0 336.344 2.248 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330809493 465811725 /nfs/dbraw/zinc/81/17/25/465811725.db2.gz BCEYYQGFPURHKD-NEPJUHHUSA-N -1 0 349.387 2.376 20 5 EEBDRM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000569247812 468463191 /nfs/dbraw/zinc/46/31/91/468463191.db2.gz CPQMZUBEHMWJQA-WDEREUQCSA-N -1 0 342.373 2.061 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000362737195 465989203 /nfs/dbraw/zinc/98/92/03/465989203.db2.gz PEKGVXJSSYTTAG-CYBMUJFWSA-N -1 0 346.314 2.407 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCNCC1(F)F ZINC000423748744 466822818 /nfs/dbraw/zinc/82/28/18/466822818.db2.gz UVXDFCMKEPSDJC-ZETCQYMHSA-N -1 0 335.694 2.137 20 5 EEBDRM CCOC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000417610206 466893690 /nfs/dbraw/zinc/89/36/90/466893690.db2.gz SPKXHBZXSCFFLX-AWEZNQCLSA-N -1 0 334.328 2.434 20 5 EEBDRM COc1cccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1OC ZINC000427937812 467187268 /nfs/dbraw/zinc/18/72/68/467187268.db2.gz KXIPZKHONLPJFX-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM C[S@](=O)C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000428012530 467193648 /nfs/dbraw/zinc/19/36/48/467193648.db2.gz FDAVSPGJONCNMA-MYYSRTQBSA-N -1 0 348.380 2.150 20 5 EEBDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1NC(C)C ZINC000451097336 467247509 /nfs/dbraw/zinc/24/75/09/467247509.db2.gz RRPQRWIZRPAFGH-UHFFFAOYSA-N -1 0 339.377 2.247 20 5 EEBDRM CO[C@@H]([C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000567738626 468200702 /nfs/dbraw/zinc/20/07/02/468200702.db2.gz TVLFZCDCRIOXBI-CPFSXVBKSA-N -1 0 328.752 2.497 20 5 EEBDRM Cc1nn(C)c(C)c1CCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000569728132 468535898 /nfs/dbraw/zinc/53/58/98/468535898.db2.gz PADYYJIQXDGVOZ-UHFFFAOYSA-N -1 0 333.348 2.083 20 5 EEBDRM Cc1c(NS(=O)(=O)CCCCF)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000600657464 468611451 /nfs/dbraw/zinc/61/14/51/468611451.db2.gz KJFWOOHVUDFXBX-UHFFFAOYSA-N -1 0 334.325 2.093 20 5 EEBDRM C[C@@]1(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])COc2ccccc2O1 ZINC000600678116 468618387 /nfs/dbraw/zinc/61/83/87/468618387.db2.gz LYARHIMFRBJOCH-MRXNPFEDSA-N -1 0 345.311 2.330 20 5 EEBDRM Cn1ncc(C(F)(F)F)c1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000600678753 468618791 /nfs/dbraw/zinc/61/87/91/468618791.db2.gz UKFBTNLZIWYZKM-UHFFFAOYSA-N -1 0 345.237 2.052 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 ZINC000583027387 468632982 /nfs/dbraw/zinc/63/29/82/468632982.db2.gz MMIVXMLHEHHKJE-WQAKAFBOSA-N -1 0 333.344 2.366 20 5 EEBDRM O=C(NCCO[C@@H]1CCCCO1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597682091 468636180 /nfs/dbraw/zinc/63/61/80/468636180.db2.gz NUCMYFWMNSVLFT-GFCCVEGCSA-N -1 0 344.751 2.227 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000600800121 468661053 /nfs/dbraw/zinc/66/10/53/468661053.db2.gz HZHKWVDUAYVMNK-WDEREUQCSA-N -1 0 336.344 2.237 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000559413658 468741162 /nfs/dbraw/zinc/74/11/62/468741162.db2.gz QNSZWEKWIYCPND-ZDUSSCGKSA-N -1 0 331.284 2.248 20 5 EEBDRM CC1(C)CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000571287551 468767534 /nfs/dbraw/zinc/76/75/34/468767534.db2.gz GBPPOYQAQWDOJV-SECBINFHSA-N -1 0 349.265 2.234 20 5 EEBDRM O=C([O-])C12CC(C1)CN2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000595243494 468791128 /nfs/dbraw/zinc/79/11/28/468791128.db2.gz BPPIHHAFAMIPPF-UHFFFAOYSA-N -1 0 332.337 2.499 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000595245411 468792182 /nfs/dbraw/zinc/79/21/82/468792182.db2.gz OIQGAFXOAUJVEE-VNHYZAJKSA-N -1 0 347.371 2.404 20 5 EEBDRM O=C([O-])c1ccnc(N2C[C@]34COC[C@@]3(C2)CCCC4)c1[N+](=O)[O-] ZINC000595280724 468799693 /nfs/dbraw/zinc/79/96/93/468799693.db2.gz XUVKSSMNJHIPHH-IYBDPMFKSA-N -1 0 333.344 2.085 20 5 EEBDRM COc1ccc(CN(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])c(OC)c1 ZINC000592966673 468830163 /nfs/dbraw/zinc/83/01/63/468830163.db2.gz NIQGEEIDNPHGSW-UHFFFAOYSA-N -1 0 347.327 2.342 20 5 EEBDRM O=C([O-])c1cc(NC2CCN(CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000592970803 468831053 /nfs/dbraw/zinc/83/10/53/468831053.db2.gz AHFPTTDKUJVAOP-UHFFFAOYSA-N -1 0 329.303 2.434 20 5 EEBDRM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccn1C ZINC000595384141 468834689 /nfs/dbraw/zinc/83/46/89/468834689.db2.gz SKUHPPIZQASQIK-MRVPVSSYSA-N -1 0 344.780 2.021 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCOC(C2CC2)(C2CC2)C1 ZINC000598364936 468842233 /nfs/dbraw/zinc/84/22/33/468842233.db2.gz SLANZJOTSRUUOC-UHFFFAOYSA-N -1 0 332.356 2.332 20 5 EEBDRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598661612 468949613 /nfs/dbraw/zinc/94/96/13/468949613.db2.gz JYQALBPZDJHHQC-SWLSCSKDSA-N -1 0 347.371 2.485 20 5 EEBDRM CCOc1ccc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598668795 468953130 /nfs/dbraw/zinc/95/31/30/468953130.db2.gz CLNNPFSIKPTBOY-GFCCVEGCSA-N -1 0 336.344 2.463 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CC(=O)[O-])CC(C)(C)C ZINC000595887019 469064875 /nfs/dbraw/zinc/06/48/75/469064875.db2.gz RASOSWWAPQUOTD-UHFFFAOYSA-N -1 0 337.376 2.274 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000563081646 469164254 /nfs/dbraw/zinc/16/42/54/469164254.db2.gz RCIMLQJNBCLJTN-UHFFFAOYSA-N -1 0 344.389 2.215 20 5 EEBDRM C[C@]1(c2ccccc2)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000563203877 469197666 /nfs/dbraw/zinc/19/76/66/469197666.db2.gz FLWFUFKGQXCSJM-QGZVFWFLSA-N -1 0 343.339 2.440 20 5 EEBDRM O=C([N-]c1nnc(C(F)F)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000604427120 469478139 /nfs/dbraw/zinc/47/81/39/469478139.db2.gz LQALEBKUMXGGGE-UHFFFAOYSA-N -1 0 344.255 2.365 20 5 EEBDRM CC(C)(C)C(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000604490790 469483588 /nfs/dbraw/zinc/48/35/88/469483588.db2.gz WPLMSFCEWOTIIU-UHFFFAOYSA-N -1 0 349.387 2.067 20 5 EEBDRM O=C(Nc1ccc(-c2nc[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000619252759 469558912 /nfs/dbraw/zinc/55/89/12/469558912.db2.gz FMUUXEMRHFZPIV-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000617726754 469774928 /nfs/dbraw/zinc/77/49/28/469774928.db2.gz WCMXZXVCIYUNDI-GFCCVEGCSA-N -1 0 335.703 2.199 20 5 EEBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCCc2c1cnn2C ZINC000614003856 469830237 /nfs/dbraw/zinc/83/02/37/469830237.db2.gz YTMGXPHQLRCFGC-CQSZACIVSA-N -1 0 330.344 2.184 20 5 EEBDRM CCC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccn1 ZINC000610263043 469996349 /nfs/dbraw/zinc/99/63/49/469996349.db2.gz JRYJCRZTOPFXLY-LBPRGKRZSA-N -1 0 336.373 2.205 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(O)(c2ccccc2)CC1 ZINC000185862796 534740099 /nfs/dbraw/zinc/74/00/99/534740099.db2.gz YAVGOZZOIVRHMV-UHFFFAOYSA-N -1 0 342.351 2.424 20 5 EEBDRM COc1ccc(CNCc2nc(C)c(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000426687073 536893992 /nfs/dbraw/zinc/89/39/92/536893992.db2.gz PJJVHNPTUVADTG-UHFFFAOYSA-N -1 0 337.357 2.356 20 5 EEBDRM Cc1cc(C(=O)N(C)c2nc(CC(=O)[O-])cs2)ccc1[N+](=O)[O-] ZINC000738318597 578009198 /nfs/dbraw/zinc/00/91/98/578009198.db2.gz BPUVSZHARSQULG-UHFFFAOYSA-N -1 0 335.341 2.263 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000733062125 577201465 /nfs/dbraw/zinc/20/14/65/577201465.db2.gz PCWUXWCMTLPTAR-UHFFFAOYSA-N -1 0 328.390 2.399 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](O)c1cccc(F)c1 ZINC000773434102 577342061 /nfs/dbraw/zinc/34/20/61/577342061.db2.gz QNCWVGBUNUKEKF-PSLIRLAXSA-N -1 0 334.303 2.291 20 5 EEBDRM O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773539140 577348922 /nfs/dbraw/zinc/34/89/22/577348922.db2.gz XHPWUGYQINKOKL-KGYLQXTDSA-N -1 0 340.426 2.410 20 5 EEBDRM Cc1cc(C(=O)NCc2cccc(C(=O)[O-])c2)c(N)c([N+](=O)[O-])c1 ZINC000776208496 577454598 /nfs/dbraw/zinc/45/45/98/577454598.db2.gz BOAGAMSOCXAZLZ-UHFFFAOYSA-N -1 0 329.312 2.114 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000776513415 577461251 /nfs/dbraw/zinc/46/12/51/577461251.db2.gz RRJNEVUHKPAASO-IUCAKERBSA-N -1 0 346.792 2.489 20 5 EEBDRM O=C(Nc1ccn(Cc2ccccn2)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000769001261 577567204 /nfs/dbraw/zinc/56/72/04/577567204.db2.gz LUUXKGDLPMWGGD-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CC(C)c1nc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c[nH]1 ZINC000742231776 577869229 /nfs/dbraw/zinc/86/92/29/577869229.db2.gz WMHGNXHTVOAWDJ-UHFFFAOYSA-N -1 0 328.325 2.381 20 5 EEBDRM Nc1c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc(F)cc1[N+](=O)[O-] ZINC000739200181 578043678 /nfs/dbraw/zinc/04/36/78/578043678.db2.gz GFGPDPKZAJSRHX-UHFFFAOYSA-N -1 0 345.286 2.170 20 5 EEBDRM Nc1nc(Nc2cccc(CSCC(=O)[O-])c2)ncc1[N+](=O)[O-] ZINC000739204308 578043874 /nfs/dbraw/zinc/04/38/74/578043874.db2.gz YTOBRCBAOMBUMM-UHFFFAOYSA-N -1 0 335.345 2.028 20 5 EEBDRM O=C([O-])c1coc(COC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000739329368 578048715 /nfs/dbraw/zinc/04/87/15/578048715.db2.gz RFZQCLFRRCVLGY-UHFFFAOYSA-N -1 0 339.231 2.147 20 5 EEBDRM O=C(NCCc1ccccc1[N+](=O)[O-])c1n[n-]c2ccccc2c1=O ZINC000742133304 578127757 /nfs/dbraw/zinc/12/77/57/578127757.db2.gz RVTIIQYXRKXBJV-UHFFFAOYSA-N -1 0 338.323 2.216 20 5 EEBDRM CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)[O-] ZINC000736404308 578201472 /nfs/dbraw/zinc/20/14/72/578201472.db2.gz APTRWNHUEDSBST-LLVKDONJSA-N -1 0 337.376 2.138 20 5 EEBDRM CC(C)NC(=O)CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000736476992 578206812 /nfs/dbraw/zinc/20/68/12/578206812.db2.gz BMDMXBUQSMLXOG-UHFFFAOYSA-N -1 0 329.740 2.273 20 5 EEBDRM CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000737321829 578250329 /nfs/dbraw/zinc/25/03/29/578250329.db2.gz AMOZDNXZBMKESQ-INIZCTEOSA-N -1 0 344.323 2.258 20 5 EEBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)nn1 ZINC000737332814 578250929 /nfs/dbraw/zinc/25/09/29/578250929.db2.gz DRQPSZIKLPBYBT-UHFFFAOYSA-N -1 0 336.691 2.013 20 5 EEBDRM COc1ccc(NC(=O)CS[C@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000738030400 578277119 /nfs/dbraw/zinc/27/71/19/578277119.db2.gz BFNOLRMEWRFTJW-MRVPVSSYSA-N -1 0 328.346 2.138 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)c[nH]1 ZINC000833307926 600727125 /nfs/dbraw/zinc/72/71/25/600727125.db2.gz UOWULGBPQDJWAL-UHFFFAOYSA-N -1 0 346.704 2.042 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCCOc2ccccc2[N+](=O)[O-])C1 ZINC000833186990 601183620 /nfs/dbraw/zinc/18/36/20/601183620.db2.gz HMHJGXVNUGAWDK-NWDGAFQWSA-N -1 0 337.328 2.408 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000833157805 601407024 /nfs/dbraw/zinc/40/70/24/601407024.db2.gz UCKVZAWNPGYVBE-LBPRGKRZSA-N -1 0 331.687 2.279 20 5 EEBDRM Cc1nc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)sc1C(=O)[O-] ZINC000833002227 601436434 /nfs/dbraw/zinc/43/64/34/601436434.db2.gz PTLANCFLWLCNQR-UHFFFAOYSA-N -1 0 340.292 2.032 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCO[C@H](c3ccco3)C2)cc([N+](=O)[O-])c1 ZINC000345785367 601504868 /nfs/dbraw/zinc/50/48/68/601504868.db2.gz DPYMYLGLKOCAFZ-AWEZNQCLSA-N -1 0 346.295 2.100 20 5 EEBDRM CCC1(CC)CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829055323 601565208 /nfs/dbraw/zinc/56/52/08/601565208.db2.gz GLXBJPBDSKJYPR-UHFFFAOYSA-N -1 0 349.387 2.426 20 5 EEBDRM O=C([O-])Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000116899785 601613365 /nfs/dbraw/zinc/61/33/65/601613365.db2.gz MGEXAHPZEGWRSH-UHFFFAOYSA-N -1 0 345.267 2.382 20 5 EEBDRM C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C(=O)[O-] ZINC000828360899 601679980 /nfs/dbraw/zinc/67/99/80/601679980.db2.gz DDWPPDZEJHFXGP-GZMMTYOYSA-N -1 0 341.751 2.110 20 5 EEBDRM CC(C)C1(CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000826727595 601830190 /nfs/dbraw/zinc/83/01/90/601830190.db2.gz QVKKPKKRWRBZHP-UHFFFAOYSA-N -1 0 335.360 2.257 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000827021983 604399083 /nfs/dbraw/zinc/39/90/83/604399083.db2.gz OHODAPNUFMCDNR-LBPRGKRZSA-N -1 0 337.332 2.046 20 5 EEBDRM CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(C(=O)[O-])CCCC1 ZINC000830884064 604454992 /nfs/dbraw/zinc/45/49/92/604454992.db2.gz ZKPGQBQFCYXOAR-UHFFFAOYSA-N -1 0 346.343 2.474 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1[N+](=O)[O-] ZINC000827097441 604892687 /nfs/dbraw/zinc/89/26/87/604892687.db2.gz OPMDCUAHRZKOQG-UHFFFAOYSA-N -1 0 344.327 2.296 20 5 EEBDRM CN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000825958445 608524697 /nfs/dbraw/zinc/52/46/97/608524697.db2.gz WXIDVYAKWKEMQR-UHFFFAOYSA-N -1 0 340.343 2.113 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000263144236 689336321 /nfs/dbraw/zinc/33/63/21/689336321.db2.gz GYTFBNVRGBWWTG-JGVFFNPUSA-N -1 0 344.165 2.299 20 5 EEBDRM CCOC(=O)n1nc2c(c1[N-]c1ncccc1[N+](=O)[O-])CNC2(C)C ZINC001170755872 1199654944 /nfs/dbraw/zinc/65/49/44/1199654944.db2.gz GAHKZPZMFLRBOC-UHFFFAOYSA-N -1 0 346.347 2.273 20 5 EEBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000121782930 1201665859 /nfs/dbraw/zinc/66/58/59/1201665859.db2.gz WMNIHTDHOJAIGB-ONGXEEELSA-N -1 0 348.808 2.078 20 5 EEBDRM O=C([N-]OC1CCCCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000779325843 1209952707 /nfs/dbraw/zinc/95/27/07/1209952707.db2.gz UFOKVHXJZCWYND-HNNXBMFYSA-N -1 0 333.344 2.468 20 5 EEBDRM Cn1c(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])nc2cc(F)ccc21 ZINC000779663144 1210723634 /nfs/dbraw/zinc/72/36/34/1210723634.db2.gz CANNJSACKGAUDO-UHFFFAOYSA-N -1 0 344.302 2.256 20 5 EEBDRM O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779674961 1210751004 /nfs/dbraw/zinc/75/10/04/1210751004.db2.gz NALXAYHQYYYHKO-RTXFEEFZSA-N -1 0 340.426 2.410 20 5 EEBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2cccc(C3OCCO3)c2)no1 ZINC001212892896 1214379431 /nfs/dbraw/zinc/37/94/31/1214379431.db2.gz BDAZEQKNOYSNOC-UHFFFAOYSA-N -1 0 329.272 2.080 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC(F)(F)C1 ZINC000800383434 1234091714 /nfs/dbraw/zinc/09/17/14/1234091714.db2.gz YJLGIZMXGOGEQH-VIFPVBQESA-N -1 0 348.327 2.225 20 5 EEBDRM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000800387733 1234094658 /nfs/dbraw/zinc/09/46/58/1234094658.db2.gz SQBRSQUGYQWKAM-SECBINFHSA-N -1 0 332.353 2.365 20 5 EEBDRM Cc1ccc(Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)cc1[N+](=O)[O-] ZINC001213670198 1296131875 /nfs/dbraw/zinc/13/18/75/1296131875.db2.gz NDRHZMBHCVZSOJ-UHFFFAOYSA-N -1 0 333.325 2.079 20 5 EEBDRM Cc1ccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001214175816 1296333131 /nfs/dbraw/zinc/33/31/31/1296333131.db2.gz KLMDFFVNHUZUDK-UHFFFAOYSA-N -1 0 329.312 2.461 20 5 EEBDRM CSc1nc(O[C@@H](C)c2ccncc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227629771 1301916750 /nfs/dbraw/zinc/91/67/50/1301916750.db2.gz YBEIAUXNXWYKRG-LURJTMIESA-N -1 0 326.309 2.486 20 5 EEBDRM CC[C@H]1OC(=O)C(Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)=C1C ZINC001228242906 1302170223 /nfs/dbraw/zinc/17/02/23/1302170223.db2.gz SCEOWOYKEPZQCK-LLVKDONJSA-N -1 0 331.284 2.232 20 5 EEBDRM O=C1C[C@H](Oc2cc([N+](=O)[O-])ccc2O)CN1Cc1ccccc1 ZINC001229394702 1302761617 /nfs/dbraw/zinc/76/16/17/1302761617.db2.gz BAAUCEVOIMKWIM-AWEZNQCLSA-N -1 0 328.324 2.480 20 5 EEBDRM CC(C)CCOC(=O)[C@@H](C)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231076946 1303613637 /nfs/dbraw/zinc/61/36/37/1303613637.db2.gz QEQQINHVUGQLFM-SSDOTTSWSA-N -1 0 333.728 2.100 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CC12CCCC2 ZINC000781838953 1303877159 /nfs/dbraw/zinc/87/71/59/1303877159.db2.gz WMYVAXQVCIMPCX-VIFPVBQESA-N -1 0 342.348 2.119 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc([O-])cc2occc(=O)c12 ZINC001233833188 1304607669 /nfs/dbraw/zinc/60/76/69/1304607669.db2.gz GFLRZIRDWAICCQ-VIFPVBQESA-N -1 0 345.311 2.379 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc2c1CCC2 ZINC001115891707 1305843540 /nfs/dbraw/zinc/84/35/40/1305843540.db2.gz LJFJCWMNGMTMQH-UHFFFAOYSA-N -1 0 346.364 2.202 20 5 EEBDRM O=C1[N-]C(=O)[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)S1 ZINC001155846407 1317763067 /nfs/dbraw/zinc/76/30/67/1317763067.db2.gz PVOVHTZDYGRGAJ-ZDUSSCGKSA-N -1 0 330.325 2.378 20 5 EEBDRM O=C([O-])c1c2c(sc1NC(=O)c1ccc([N+](=O)[O-])o1)COCC2 ZINC001608527565 1351710512 /nfs/dbraw/zinc/71/05/12/1351710512.db2.gz VNKZGCQFXKNFPI-UHFFFAOYSA-N -1 0 338.297 2.273 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC001601213453 1350232842 /nfs/dbraw/zinc/23/28/42/1350232842.db2.gz DUTBQCFFCCGNBL-CQSZACIVSA-N -1 0 348.286 2.169 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001601289273 1350249786 /nfs/dbraw/zinc/24/97/86/1350249786.db2.gz NRHDYEPYBRNTOK-MWLCHTKSSA-N -1 0 326.736 2.018 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)[C@@H]2CCC(=O)c3cccn32)cc1[N+](=O)[O-] ZINC001602388954 1350508635 /nfs/dbraw/zinc/50/86/35/1350508635.db2.gz REXUKRBELBECOK-LBPRGKRZSA-N -1 0 344.279 2.218 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001602617144 1350558274 /nfs/dbraw/zinc/55/82/74/1350558274.db2.gz WKBOUJFSPDSREA-BDAKNGLRSA-N -1 0 338.272 2.047 20 5 EEBDRM COc1cc(C(=O)N2CCC(CC(=O)[O-])CC2)c([N+](=O)[O-])cc1F ZINC001607068268 1351405993 /nfs/dbraw/zinc/40/59/93/1351405993.db2.gz MICMWOFDCSVDJI-UHFFFAOYSA-N -1 0 340.307 2.069 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001608632497 1351730053 /nfs/dbraw/zinc/73/00/53/1351730053.db2.gz FLSGBFISZNDHAA-ZETCQYMHSA-N -1 0 332.234 2.160 20 5 EEBDRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)c1ncc([N+](=O)[O-])cn1 ZINC001608721892 1351749302 /nfs/dbraw/zinc/74/93/02/1351749302.db2.gz DMUJCHBHODIMCN-UHFFFAOYSA-N -1 0 338.270 2.144 20 5 EEBDRM O=C([O-])c1cc(C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)no1 ZINC001608840107 1351776238 /nfs/dbraw/zinc/77/62/38/1351776238.db2.gz HTQAUIMRRNUMDS-UHFFFAOYSA-N -1 0 336.279 2.199 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC001608914592 1351792659 /nfs/dbraw/zinc/79/26/59/1351792659.db2.gz ZCZNOQVWLBOSJM-LBPRGKRZSA-N -1 0 330.344 2.396 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC001608914455 1351793105 /nfs/dbraw/zinc/79/31/05/1351793105.db2.gz ROYZGMCLMGJSNL-AWEZNQCLSA-N -1 0 330.344 2.327 20 5 EEBDRM CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001319414340 1332697737 /nfs/dbraw/zinc/69/77/37/1332697737.db2.gz BPHLABVIDCZOBT-SNVBAGLBSA-N -1 0 346.430 2.322 20 5 EEBDRM C[C@@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(=O)[O-] ZINC001609789944 1352086082 /nfs/dbraw/zinc/08/60/82/1352086082.db2.gz MEYDFJVWUNIUPB-NXEZZACHSA-N -1 0 337.328 2.310 20 5 EEBDRM C[C@@H]1CSCCN1c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001338837088 1336917156 /nfs/dbraw/zinc/91/71/56/1336917156.db2.gz BEWQTSIUJORIOX-SECBINFHSA-N -1 0 335.389 2.038 20 5 EEBDRM CCc1[nH]nc(C(=O)OCc2ccc(C(=O)[O-])cc2F)c1[N+](=O)[O-] ZINC001610057635 1352151514 /nfs/dbraw/zinc/15/15/14/1352151514.db2.gz ZCFZRCLCRDASOQ-UHFFFAOYSA-N -1 0 337.263 2.075 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(CCCO)Cc2ccccc2)n1 ZINC001610438968 1352222705 /nfs/dbraw/zinc/22/27/05/1352222705.db2.gz XKCKRIDDYFYNIU-UHFFFAOYSA-N -1 0 345.355 2.385 20 5 EEBDRM Cc1c(NC(=O)[C@@H]2CSCCS2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610421936 1352219979 /nfs/dbraw/zinc/21/99/79/1352219979.db2.gz KSFFXUCDVOYHSJ-NSHDSACASA-N -1 0 342.398 2.389 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@](C)(C(=O)[O-])C2CC2)c1 ZINC001610514977 1352236709 /nfs/dbraw/zinc/23/67/09/1352236709.db2.gz KBPCZCJSJBAYBT-INIZCTEOSA-N -1 0 336.344 2.042 20 5 EEBDRM Cc1nn(C)c(NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1[N+](=O)[O-] ZINC001610569054 1352246327 /nfs/dbraw/zinc/24/63/27/1352246327.db2.gz ZVKGDIQDUICKRI-UHFFFAOYSA-N -1 0 331.332 2.219 20 5 EEBDRM NC(=O)c1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])o1 ZINC001610640109 1352256810 /nfs/dbraw/zinc/25/68/10/1352256810.db2.gz DSBHMHCXNOCJCE-UHFFFAOYSA-N -1 0 339.691 2.250 20 5 EEBDRM O=C([O-])[C@H](CF)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001610717136 1352264166 /nfs/dbraw/zinc/26/41/66/1352264166.db2.gz QHYOQUYZITXUNR-NSHDSACASA-N -1 0 325.321 2.231 20 5 EEBDRM O=C([O-])C1(CNc2nccc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC001610727704 1352265368 /nfs/dbraw/zinc/26/53/68/1352265368.db2.gz SISXWKQLYMNAMU-UHFFFAOYSA-N -1 0 331.328 2.436 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1cccc(-c2nn[nH]n2)c1 ZINC001593282922 1349761650 /nfs/dbraw/zinc/76/16/50/1349761650.db2.gz GRKVNXYMSHWFRB-PLNGDYQASA-N -1 0 338.283 2.039 20 5 EEBDRM O=C([O-])c1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)cc1 ZINC001593282965 1349762201 /nfs/dbraw/zinc/76/22/01/1349762201.db2.gz JAGJJERLAWFGRB-UHFFFAOYSA-N -1 0 340.299 2.085 20 5 EEBDRM Cc1c(NC(=O)N2CCOC[C@H]2C2CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600037198 1349959223 /nfs/dbraw/zinc/95/92/23/1349959223.db2.gz LGORNASQDHBULH-AWEZNQCLSA-N -1 0 349.343 2.244 20 5 EEBDRM Cc1c(NC(=O)NC[C@H](C)C[C@@H](C)O)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600038776 1349959776 /nfs/dbraw/zinc/95/97/76/1349959776.db2.gz CVFKXAYIOAFWEM-RKDXNWHRSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1c(NCC(=O)Nc2cccc(C(=O)[O-])n2)cccc1[N+](=O)[O-] ZINC001600048413 1349961946 /nfs/dbraw/zinc/96/19/46/1349961946.db2.gz GMFOEASJBNJYCD-UHFFFAOYSA-N -1 0 330.300 2.047 20 5 EEBDRM Cc1cc(COC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)ccc1[N+](=O)[O-] ZINC001600213917 1349994385 /nfs/dbraw/zinc/99/43/85/1349994385.db2.gz CEYYEKJFGQPKKD-QWHCGFSZSA-N -1 0 337.328 2.216 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCSCC(=O)[O-] ZINC001600219069 1349995667 /nfs/dbraw/zinc/99/56/67/1349995667.db2.gz NXPIWBMYYVGWJO-UHFFFAOYSA-N -1 0 332.765 2.104 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2cnc(C(=O)[O-])cn2)n1 ZINC001600302085 1350014946 /nfs/dbraw/zinc/01/49/46/1350014946.db2.gz BTRVJUMKPOPELV-UHFFFAOYSA-N -1 0 341.283 2.417 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])s2)c([N+](=O)[O-])c1 ZINC001600472043 1350060427 /nfs/dbraw/zinc/06/04/27/1350060427.db2.gz IBFRTBJRBRYXSC-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c1C ZINC001600486623 1350063478 /nfs/dbraw/zinc/06/34/78/1350063478.db2.gz AFZGKPGLEBNKDY-LPWJVIDDSA-N -1 0 332.356 2.441 20 5 EEBDRM Cc1cccc(C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)[O-])c1 ZINC001600528026 1350073929 /nfs/dbraw/zinc/07/39/29/1350073929.db2.gz QXKZTFWFCATTSZ-CQSZACIVSA-N -1 0 336.388 2.190 20 5 EEBDRM Cc1nn(C)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)[O-] ZINC001600774178 1350133268 /nfs/dbraw/zinc/13/32/68/1350133268.db2.gz IQXIEDVETRBPIK-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM NC(=O)c1cccc(CSc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC001601167764 1350223851 /nfs/dbraw/zinc/22/38/51/1350223851.db2.gz GKDGKLOUJPSJQN-UHFFFAOYSA-N -1 0 333.325 2.079 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001601214321 1350233020 /nfs/dbraw/zinc/23/30/20/1350233020.db2.gz UJWKSQROJDLLLT-UHFFFAOYSA-N -1 0 345.286 2.217 20 5 EEBDRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001601284903 1350248874 /nfs/dbraw/zinc/24/88/74/1350248874.db2.gz FOQXGBCHOJXKQG-WCBMZHEXSA-N -1 0 342.735 2.457 20 5 EEBDRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001601405552 1350276312 /nfs/dbraw/zinc/27/63/12/1350276312.db2.gz DWUAYZNQZCQUEY-MRVPVSSYSA-N -1 0 345.233 2.212 20 5 EEBDRM O=C([O-])[C@@H](CC1CCOCC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001601642915 1350326918 /nfs/dbraw/zinc/32/69/18/1350326918.db2.gz LIRFUGPVBIXKDX-CYBMUJFWSA-N -1 0 349.343 2.096 20 5 EEBDRM O=C([O-])C1=NO[C@@]2(CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC001601743719 1350353729 /nfs/dbraw/zinc/35/37/29/1350353729.db2.gz KMJWMZXTHJXAIT-ZDUSSCGKSA-N -1 0 325.708 2.058 20 5 EEBDRM O=C([O-])[C@H]1CSCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001601856906 1350381435 /nfs/dbraw/zinc/38/14/35/1350381435.db2.gz AUFZIWJDINBBQN-SECBINFHSA-N -1 0 348.739 2.030 20 5 EEBDRM O=C([O-])COc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001602088178 1350434153 /nfs/dbraw/zinc/43/41/53/1350434153.db2.gz FKUWRONURZYROC-UHFFFAOYSA-N -1 0 348.286 2.379 20 5 EEBDRM O=C([O-])Cc1cccc(NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC001602141077 1350449192 /nfs/dbraw/zinc/44/91/92/1350449192.db2.gz NQERAKWLQLCTJY-AWEZNQCLSA-N -1 0 346.339 2.074 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC3(CCCC3=O)CC2)cc([N+](=O)[O-])c1 ZINC001602245778 1350475574 /nfs/dbraw/zinc/47/55/74/1350475574.db2.gz UORKFQKGPZAWJL-UHFFFAOYSA-N -1 0 346.339 2.268 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@H](O)c2ccccn2)cc1Cl ZINC001602298651 1350487632 /nfs/dbraw/zinc/48/76/32/1350487632.db2.gz CCFAQJJIJZMWIJ-ZDUSSCGKSA-N -1 0 337.719 2.487 20 5 EEBDRM O=C([O-])c1ccc(F)c(Cn2cc([N+](=O)[O-])nc2Br)c1 ZINC001602364814 1350504330 /nfs/dbraw/zinc/50/43/30/1350504330.db2.gz QWMLBPMZQAISHM-UHFFFAOYSA-N -1 0 344.096 2.439 20 5 EEBDRM O=C([O-])c1ccc(F)c(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC001602364424 1350504450 /nfs/dbraw/zinc/50/44/50/1350504450.db2.gz FGWFZUSLOQLITE-UHFFFAOYSA-N -1 0 343.274 2.134 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001602390063 1350509326 /nfs/dbraw/zinc/50/93/26/1350509326.db2.gz JTPSYRIHGZUHTM-UHFFFAOYSA-N -1 0 348.286 2.241 20 5 EEBDRM O=C([O-])c1cccc2c1OCCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001602461554 1350524305 /nfs/dbraw/zinc/52/43/05/1350524305.db2.gz KCHJCORRASJUAA-UHFFFAOYSA-N -1 0 333.275 2.226 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC001602621113 1350559481 /nfs/dbraw/zinc/55/94/81/1350559481.db2.gz FPTINKTWHQBLGB-UHFFFAOYSA-N -1 0 331.284 2.045 20 5 EEBDRM O=C([O-])c1cnc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)s1 ZINC001602647721 1350565227 /nfs/dbraw/zinc/56/52/27/1350565227.db2.gz MPEIVQNNHWVXGL-UHFFFAOYSA-N -1 0 348.340 2.246 20 5 EEBDRM O=C([O-])c1occc1/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O ZINC001602661758 1350567687 /nfs/dbraw/zinc/56/76/87/1350567687.db2.gz UMWUZCPKKFISFW-XFFZJAGNSA-N -1 0 328.236 2.231 20 5 EEBDRM CC(C)(C)c1coc(CNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])n1 ZINC001603120557 1350645551 /nfs/dbraw/zinc/64/55/51/1350645551.db2.gz HBHXSLHTHXBBMR-UHFFFAOYSA-N -1 0 344.335 2.068 20 5 EEBDRM C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CC(=O)[O-])CC1 ZINC001603180279 1350656954 /nfs/dbraw/zinc/65/69/54/1350656954.db2.gz AFPNPAISFYCQMG-NSHDSACASA-N -1 0 335.360 2.109 20 5 EEBDRM CC(C)C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001603781244 1350766276 /nfs/dbraw/zinc/76/62/76/1350766276.db2.gz BWHSJEXGJWTWDZ-LLVKDONJSA-N -1 0 344.364 2.442 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NCCc2ccoc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604312648 1350913493 /nfs/dbraw/zinc/91/34/93/1350913493.db2.gz BCFHGSMBBSPUNL-SNVBAGLBSA-N -1 0 347.327 2.045 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001604449436 1350940184 /nfs/dbraw/zinc/94/01/84/1350940184.db2.gz ASWGPPVTEPCCHJ-QMMMGPOBSA-N -1 0 348.340 2.202 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001605061197 1351069517 /nfs/dbraw/zinc/06/95/17/1351069517.db2.gz QLECLMBJZJEWIY-DYEKYZERSA-N -1 0 338.335 2.187 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606139746 1351278287 /nfs/dbraw/zinc/27/82/87/1351278287.db2.gz NMXRZYCTDBZSPH-UHFFFAOYSA-N -1 0 346.299 2.275 20 5 EEBDRM O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001606928123 1351378122 /nfs/dbraw/zinc/37/81/22/1351378122.db2.gz FGODRONMDVNUAZ-UHFFFAOYSA-N -1 0 334.679 2.274 20 5 EEBDRM COc1c(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001607009335 1351396603 /nfs/dbraw/zinc/39/66/03/1351396603.db2.gz ASPXDSQBGPXSGT-BDJLRTHQSA-N -1 0 336.344 2.367 20 5 EEBDRM COc1ccc(OC(=O)Cc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001607277453 1351463511 /nfs/dbraw/zinc/46/35/11/1351463511.db2.gz BCEYEIWJLNQTTE-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001607595721 1351521621 /nfs/dbraw/zinc/52/16/21/1351521621.db2.gz JOHHLJBWLOIQAN-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)ncc1C(=O)[O-] ZINC001607681394 1351538326 /nfs/dbraw/zinc/53/83/26/1351538326.db2.gz WIJZYENJWYTNCR-UHFFFAOYSA-N -1 0 329.312 2.486 20 5 EEBDRM Cc1cc(NC(=O)NCCc2ccccc2[N+](=O)[O-])ncc1C(=O)[O-] ZINC001607687283 1351539772 /nfs/dbraw/zinc/53/97/72/1351539772.db2.gz SBCGGMYBSKVVHR-UHFFFAOYSA-N -1 0 344.327 2.361 20 5 EEBDRM Cc1cc(OCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607700826 1351542445 /nfs/dbraw/zinc/54/24/45/1351542445.db2.gz QVEBJJHREIDLII-OLZOCXBDSA-N -1 0 336.344 2.042 20 5 EEBDRM Cc1ccc(CNC(=O)c2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001607782651 1351558272 /nfs/dbraw/zinc/55/82/72/1351558272.db2.gz CFYILYAFNMSKPF-UHFFFAOYSA-N -1 0 328.324 2.460 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC001607825420 1351566045 /nfs/dbraw/zinc/56/60/45/1351566045.db2.gz YBBCACGLLVWEIL-UHFFFAOYSA-N -1 0 331.284 2.263 20 5 EEBDRM O=C([O-])c1cc(NC(=O)C[C@@H]2CSCCS2)cc([N+](=O)[O-])c1 ZINC001608300169 1351666563 /nfs/dbraw/zinc/66/65/63/1351666563.db2.gz VUHDUQFSHASPBS-LLVKDONJSA-N -1 0 342.398 2.470 20 5 EEBDRM O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780352058 760757233 /nfs/dbraw/zinc/75/72/33/760757233.db2.gz ZSSLUVDGYUQGCX-AWEZNQCLSA-N -1 0 336.731 2.417 20 5 EEBDRM O=C([O-])c1ccnc(N2CCS[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000906155504 783725083 /nfs/dbraw/zinc/72/50/83/783725083.db2.gz IOJMXKHBGREFGU-ZETCQYMHSA-N -1 0 337.279 2.172 20 5 EEBDRM Cc1n[nH]c(C(=O)NCC=CCNc2ccc([N+](=O)[O-])c(C)c2)c1[O-] ZINC001107126841 785269524 /nfs/dbraw/zinc/26/95/24/785269524.db2.gz KIOGJUPFJNMYMH-ONEGZZNKSA-N -1 0 345.359 2.038 20 5 EEBDRM C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000820392625 785896372 /nfs/dbraw/zinc/89/63/72/785896372.db2.gz XJNAUNATNHKXEM-MRVPVSSYSA-N -1 0 344.356 2.327 20 5 EEBDRM O=C([O-])c1cnc(N2CCN(c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000910343152 786673877 /nfs/dbraw/zinc/67/38/77/786673877.db2.gz GFJRHZCKKMYBLU-UHFFFAOYSA-N -1 0 346.318 2.154 20 5 EEBDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000029011389 788278320 /nfs/dbraw/zinc/27/83/20/788278320.db2.gz KJMAKSHKSGFFCQ-UHFFFAOYSA-N -1 0 325.277 2.333 20 5 EEBDRM C[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000844210353 788929709 /nfs/dbraw/zinc/92/97/09/788929709.db2.gz VTUCOULPARWQNV-LLVKDONJSA-N -1 0 338.360 2.423 20 5 EEBDRM O=C([O-])[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923224216 789160949 /nfs/dbraw/zinc/16/09/49/789160949.db2.gz MFDZPZVRONVTEH-QMMMGPOBSA-N -1 0 329.150 2.264 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)C(C)C)cc([N+](=O)[O-])c1C ZINC000172017720 791519890 /nfs/dbraw/zinc/51/98/90/791519890.db2.gz AIIVCEHKIKSAFL-SNVBAGLBSA-N -1 0 328.390 2.309 20 5 EEBDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000174017305 791944091 /nfs/dbraw/zinc/94/40/91/791944091.db2.gz UQTXJPOGHCJEFX-NXEZZACHSA-N -1 0 344.364 2.365 20 5 EEBDRM CCOC(=O)c1nnsc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503557 797784163 /nfs/dbraw/zinc/78/41/63/797784163.db2.gz PWLONKDDHMKKGK-UHFFFAOYSA-N -1 0 338.301 2.065 20 5 EEBDRM Cc1nn(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(N)c1Br ZINC001176672247 798522947 /nfs/dbraw/zinc/52/29/47/798522947.db2.gz KQIKTVKGUMJNIV-UHFFFAOYSA-N -1 0 341.121 2.132 20 5 EEBDRM CCOC(=O)c1ccnnc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176672613 798523467 /nfs/dbraw/zinc/52/34/67/798523467.db2.gz KYHDHXGYZGVXLV-UHFFFAOYSA-N -1 0 332.272 2.003 20 5 EEBDRM O=C([O-])c1cc(Nc2cccc3c2C(=O)NCC3)cc([N+](=O)[O-])c1 ZINC001176679904 798525990 /nfs/dbraw/zinc/52/59/90/798525990.db2.gz SFPBLXSWDMNQBL-UHFFFAOYSA-N -1 0 327.296 2.323 20 5 EEBDRM CC[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589575191 948935402 /nfs/dbraw/zinc/93/54/02/948935402.db2.gz DODWLCXHKYMPNR-XCBNKYQSSA-N -1 0 331.708 2.422 20 5 EEBDRM O=C([O-])c1cccnc1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC001595260580 949658001 /nfs/dbraw/zinc/65/80/01/949658001.db2.gz MACVHDXTDIPJKQ-UHFFFAOYSA-N -1 0 338.222 2.323 20 5 EEBDRM O=C([O-])c1cnc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001595269612 949814214 /nfs/dbraw/zinc/81/42/14/949814214.db2.gz RFYBOEHZDMWSMY-UHFFFAOYSA-N -1 0 337.675 2.093 20 5 EEBDRM C[C@@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C(=O)[O-] ZINC001589332967 953960054 /nfs/dbraw/zinc/96/00/54/953960054.db2.gz IEGFBTSIFSAHDO-YGRLFVJLSA-N -1 0 346.343 2.330 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)[O-] ZINC001603036045 972095164 /nfs/dbraw/zinc/09/51/64/972095164.db2.gz BHUFTSQMTPHCII-LLVKDONJSA-N -1 0 341.339 2.029 20 5 EEBDRM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594689349 956736881 /nfs/dbraw/zinc/73/68/81/956736881.db2.gz NVSFUKIWZPOPOW-MGCOHNPYSA-N -1 0 326.736 2.160 20 5 EEBDRM COCCN(CCC(=O)[O-])C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001594008317 956984449 /nfs/dbraw/zinc/98/44/49/956984449.db2.gz VXTYGISUNPAMDF-UHFFFAOYSA-N -1 0 344.751 2.120 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC001574796785 957825564 /nfs/dbraw/zinc/82/55/64/957825564.db2.gz XSCUPLDZINNMPB-UHFFFAOYSA-N -1 0 349.730 2.314 20 5 EEBDRM COc1cc(COC(=O)C2(C(=O)[O-])CC=CC2)c([N+](=O)[O-])cc1F ZINC001594058657 958066443 /nfs/dbraw/zinc/06/64/43/958066443.db2.gz JKNBVBALSVAOQG-UHFFFAOYSA-N -1 0 339.275 2.207 20 5 EEBDRM Cc1cccc([C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594400018 958844394 /nfs/dbraw/zinc/84/43/94/958844394.db2.gz WOENQMRGEQXWRW-GFCCVEGCSA-N -1 0 346.343 2.305 20 5 EEBDRM C[C@H](C(=O)[O-])c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC001588604687 959471344 /nfs/dbraw/zinc/47/13/44/959471344.db2.gz WZIKKEIPDJKRND-CPCISQLKSA-N -1 0 332.272 2.032 20 5 EEBDRM CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(C)(C)CC(=O)[O-] ZINC001328571170 961212203 /nfs/dbraw/zinc/21/22/03/961212203.db2.gz CZYJWDTVTCCJCJ-UHFFFAOYSA-N -1 0 335.360 2.494 20 5 EEBDRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCCc1ccccc1[N+](=O)[O-] ZINC001574513867 961828383 /nfs/dbraw/zinc/82/83/83/961828383.db2.gz NHXMVJCCVNWLFP-SOFGYWHQSA-N -1 0 330.296 2.258 20 5 EEBDRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001574594480 962143458 /nfs/dbraw/zinc/14/34/58/962143458.db2.gz XLLYXOHDIIVANL-LJGSYFOKSA-N -1 0 332.234 2.207 20 5 EEBDRM CC[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(=O)[O-] ZINC001603567904 973699403 /nfs/dbraw/zinc/69/94/03/973699403.db2.gz MDUJWQTXYFZGKK-LLVKDONJSA-N -1 0 343.339 2.497 20 5 EEBDRM O=C([O-])Cc1noc(-c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 ZINC001606325187 973742964 /nfs/dbraw/zinc/74/29/64/973742964.db2.gz LFVRNYDEBPYOBF-UHFFFAOYSA-N -1 0 326.268 2.334 20 5 EEBDRM C[C@@H](CCn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O)OCc1ccccc1 ZINC001592552203 978437924 /nfs/dbraw/zinc/43/79/24/978437924.db2.gz RDMVQSRQSWTRRG-LBPRGKRZSA-N -1 0 346.339 2.450 20 5 EEBDRM C[C@@H](Cc1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592884006 979764686 /nfs/dbraw/zinc/76/46/86/979764686.db2.gz XTSHQMZVTIUZGY-VIFPVBQESA-N -1 0 344.327 2.096 20 5 EEBDRM C[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1cccc([N+](=O)[O-])c1 ZINC001593020059 980277132 /nfs/dbraw/zinc/27/71/32/980277132.db2.gz SIAOCAMOMGGWRT-VHRBIJSZSA-N -1 0 336.344 2.042 20 5 EEBDRM Cc1cc(C)c(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)[nH]1 ZINC001331826807 983038895 /nfs/dbraw/zinc/03/88/95/983038895.db2.gz MWENKVWJDFAQGF-MRXNPFEDSA-N -1 0 331.328 2.270 20 5 EEBDRM CCN(Cc1cn(C)nn1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001596378408 983895244 /nfs/dbraw/zinc/89/52/44/983895244.db2.gz NPIAZIUUMBXGKQ-UHFFFAOYSA-N -1 0 339.739 2.101 20 5 EEBDRM CCNc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001596501433 984255424 /nfs/dbraw/zinc/25/54/24/984255424.db2.gz UOQQPNPWBAJKKD-IINYFYTJSA-N -1 0 335.360 2.352 20 5 EEBDRM CCNc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001596501434 984255634 /nfs/dbraw/zinc/25/56/34/984255634.db2.gz UOQQPNPWBAJKKD-QMTHXVAHSA-N -1 0 335.360 2.352 20 5 EEBDRM CCOC(=O)/C(=C\c1c[nH]c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cn1 ZINC001596509226 984269223 /nfs/dbraw/zinc/26/92/23/984269223.db2.gz DUVUIICOECFAMY-WZUFQYTHSA-N -1 0 331.284 2.120 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001589001847 984945633 /nfs/dbraw/zinc/94/56/33/984945633.db2.gz MGRUNPZRWPTKNS-GYVXJDAZSA-N -1 0 330.340 2.224 20 5 EEBDRM C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001599913745 985024175 /nfs/dbraw/zinc/02/41/75/985024175.db2.gz IBUBIECXKLJABZ-OADPDTJPSA-N -1 0 332.356 2.268 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001599957959 985722161 /nfs/dbraw/zinc/72/21/61/985722161.db2.gz IKLQYGYOUQKZII-UHFFFAOYSA-N -1 0 346.295 2.278 20 5 EEBDRM CCOc1cc(COC(=O)c2cnccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001597038332 986485255 /nfs/dbraw/zinc/48/52/55/986485255.db2.gz MORJLGPUHFYDQC-UHFFFAOYSA-N -1 0 346.295 2.444 20 5 EEBDRM CC(C)(C)Oc1cc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001590409248 989945360 /nfs/dbraw/zinc/94/53/60/989945360.db2.gz HVBCTHGTYIYTOJ-JQWIXIFHSA-N -1 0 338.360 2.044 20 5 EEBDRM CC(C)(/C=C/Cl)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001590615089 990286323 /nfs/dbraw/zinc/28/63/23/990286323.db2.gz IYPYKULQBSAVDJ-AATRIKPKSA-N -1 0 348.764 2.102 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CN[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001599622495 994103673 /nfs/dbraw/zinc/10/36/73/994103673.db2.gz PSCPDOFAJXUMBJ-QGZVFWFLSA-N -1 0 345.355 2.478 20 5 EEBDRM C[C@@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)C(C)(C)C(=O)[O-] ZINC001593593899 995728536 /nfs/dbraw/zinc/72/85/36/995728536.db2.gz SSMWASNNPSBQEV-SSDOTTSWSA-N -1 0 343.719 2.473 20 5 EEBDRM C[C@@]1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC001594027173 997571395 /nfs/dbraw/zinc/57/13/95/997571395.db2.gz NYCIWVNSLQYNJP-YOEHRIQHSA-N -1 0 348.355 2.228 20 5 EEBDRM COC(=O)c1cc(COC(=O)c2ccc([N+](=O)[O-])o2)cc(C(=O)[O-])c1 ZINC001598934237 997832518 /nfs/dbraw/zinc/83/25/18/997832518.db2.gz DHNHFNVNLPITDY-UHFFFAOYSA-N -1 0 349.251 2.030 20 5 EEBDRM COC(=O)c1cccc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC001598993859 998761183 /nfs/dbraw/zinc/76/11/83/998761183.db2.gz KEKLDQGFPAQWGQ-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM C[C@@H]1C[C@@H]1CNc1nc(NC[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c(C(=O)[O-])n1 ZINC001594278455 999078370 /nfs/dbraw/zinc/07/83/70/999078370.db2.gz XUGNNOYTQGHGDE-QCLAVDOMSA-N -1 0 335.364 2.219 20 5 EEBDRM CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CC[C@H](CF)C1 ZINC001520813483 1119195601 /nfs/dbraw/zinc/19/56/01/1119195601.db2.gz GIKVPXMHWRWNPD-SNVBAGLBSA-N -1 0 335.339 2.375 20 5 EEBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237983975 242883794 /nfs/dbraw/zinc/88/37/94/242883794.db2.gz LZNUYTVEIOURCY-GFCCVEGCSA-N -1 0 335.360 2.253 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000261790926 244681692 /nfs/dbraw/zinc/68/16/92/244681692.db2.gz QVUKMKRAXZCYFN-RTHLEPHNSA-N -1 0 347.327 2.078 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000492159885 246330093 /nfs/dbraw/zinc/33/00/93/246330093.db2.gz ZMNWLWZXDPCHKR-CXLRFSCWSA-N -1 0 348.330 2.460 20 5 EEBDRM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1ccsc1 ZINC000492168519 246333019 /nfs/dbraw/zinc/33/30/19/246333019.db2.gz KDUTYWSBSLGYCL-PLNGDYQASA-N -1 0 338.366 2.175 20 5 EEBDRM O=C([O-])CN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178143884 255901921 /nfs/dbraw/zinc/90/19/21/255901921.db2.gz QGIBOUPBQGFKCA-UHFFFAOYSA-N -1 0 328.324 2.364 20 5 EEBDRM O=C(Nc1ccn(CC(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182140124 255929602 /nfs/dbraw/zinc/92/96/02/255929602.db2.gz UWKMRWSLQRACHX-UHFFFAOYSA-N -1 0 330.222 2.312 20 5 EEBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000261810311 256016139 /nfs/dbraw/zinc/01/61/39/256016139.db2.gz VNZCMBOHEYQNRT-GFCCVEGCSA-N -1 0 332.234 2.074 20 5 EEBDRM CCOc1ccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000262829363 152323587 /nfs/dbraw/zinc/32/35/87/152323587.db2.gz RWVIPEPETRXYOG-LBPRGKRZSA-N -1 0 338.360 2.470 20 5 EEBDRM O=C([O-])[C@H](CC(F)F)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263177223 152395614 /nfs/dbraw/zinc/39/56/14/152395614.db2.gz ZFTNEQPMVDMGEC-NSHDSACASA-N -1 0 345.302 2.012 20 5 EEBDRM CCCC[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000261688632 160408527 /nfs/dbraw/zinc/40/85/27/160408527.db2.gz NBOPOVNBMHFKIR-LBPRGKRZSA-N -1 0 326.374 2.447 20 5 EEBDRM O=C([O-])[C@H](CC1CC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262153987 160442655 /nfs/dbraw/zinc/44/26/55/160442655.db2.gz BZMLLCOYQXGMNE-ZDUSSCGKSA-N -1 0 333.344 2.152 20 5 EEBDRM CCCC(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000089541104 159182757 /nfs/dbraw/zinc/18/27/57/159182757.db2.gz IPSVXXDKSVWKSS-LLVKDONJSA-N -1 0 335.360 2.278 20 5 EEBDRM Cc1nccn1-c1ncccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185237318 160031717 /nfs/dbraw/zinc/03/17/17/160031717.db2.gz LEIPVGKXYZAUDR-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000237772214 160225066 /nfs/dbraw/zinc/22/50/66/160225066.db2.gz SZHGSUVBUALZDK-CQSZACIVSA-N -1 0 328.324 2.329 20 5 EEBDRM COc1ccc(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000343292250 161121147 /nfs/dbraw/zinc/12/11/47/161121147.db2.gz SUFAUERDLLBIGI-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM COc1ccc(OCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356319577 163404763 /nfs/dbraw/zinc/40/47/63/163404763.db2.gz ZJEBBXQPUZBXDL-UHFFFAOYSA-N -1 0 332.312 2.118 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000457349979 287585586 /nfs/dbraw/zinc/58/55/86/287585586.db2.gz OHRNLAQPRICTNI-JTQLQIEISA-N -1 0 344.389 2.085 20 5 EEBDRM COC(=O)c1cc(CN(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)oc1C ZINC000272606576 268997952 /nfs/dbraw/zinc/99/79/52/268997952.db2.gz MOCNJSITJDKPGV-UHFFFAOYSA-N -1 0 348.311 2.261 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CCC(=O)[O-])C(C)C ZINC000275072615 269091259 /nfs/dbraw/zinc/09/12/59/269091259.db2.gz BQEBIPKEOHBKRB-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000279131295 269264332 /nfs/dbraw/zinc/26/43/32/269264332.db2.gz NFBMUVHTTBVONF-ZDUSSCGKSA-N -1 0 332.316 2.138 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@](CO)(c2ccccc2)C1 ZINC000292354106 275416099 /nfs/dbraw/zinc/41/60/99/275416099.db2.gz XOVPNOSBFLGIFW-SFHVURJKSA-N -1 0 342.351 2.077 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236769857 279425570 /nfs/dbraw/zinc/42/55/70/279425570.db2.gz KZVMUYXYEIJYMD-UHFFFAOYSA-N -1 0 346.343 2.106 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)[N-]OC[C@H](C)CC ZINC000293447271 293211204 /nfs/dbraw/zinc/21/12/04/293211204.db2.gz XHUVLLJQKFKUNJ-SNVBAGLBSA-N -1 0 339.348 2.026 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000263219623 300407571 /nfs/dbraw/zinc/40/75/71/300407571.db2.gz OTZZSYZXGRXBDD-CMPLNLGQSA-N -1 0 347.371 2.034 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](O)Cc1ccccc1 ZINC000163693435 311385848 /nfs/dbraw/zinc/38/58/48/311385848.db2.gz CRTQTAULKHRFAK-ABAIWWIYSA-N -1 0 330.340 2.022 20 5 EEBDRM O=C([O-])[C@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000416384839 313209435 /nfs/dbraw/zinc/20/94/35/313209435.db2.gz FKCHHEXLUKWXPD-ZDUSSCGKSA-N -1 0 343.339 2.480 20 5 EEBDRM O=C(NCCc1c[nH]c2ncccc12)c1cccc([N+](=O)[O-])c1[O-] ZINC000436509314 314969298 /nfs/dbraw/zinc/96/92/98/314969298.db2.gz FJVNEKVIDKXWAK-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM O=C(N[C@H]1CCN(c2ccccc2F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436752808 314995393 /nfs/dbraw/zinc/99/53/93/314995393.db2.gz YMQZTOAOCNQOAQ-NSHDSACASA-N -1 0 345.330 2.448 20 5 EEBDRM COC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436956191 315015732 /nfs/dbraw/zinc/01/57/32/315015732.db2.gz PPZGFABORZVXEV-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM COCCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436958233 315016362 /nfs/dbraw/zinc/01/63/62/315016362.db2.gz FHWKBAKNPZNXIM-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM COCCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436963682 315017562 /nfs/dbraw/zinc/01/75/62/315017562.db2.gz FEZVXZRBTCQKNJ-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](CCO)c1ccccc1 ZINC000436970595 315018300 /nfs/dbraw/zinc/01/83/00/315018300.db2.gz FBBODXNAKKBIJG-OAHLLOKOSA-N -1 0 330.340 2.496 20 5 EEBDRM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000527327292 317185609 /nfs/dbraw/zinc/18/56/09/317185609.db2.gz ZPTNIPLEEBFCSV-QMMMGPOBSA-N -1 0 341.311 2.245 20 5 EEBDRM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(C)(C)C ZINC000564733037 319105925 /nfs/dbraw/zinc/10/59/25/319105925.db2.gz YONOMYZDFFCKRM-MRVPVSSYSA-N -1 0 330.362 2.006 20 5 EEBDRM C[C@@H](N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C1(C)CC1 ZINC000566174045 319255752 /nfs/dbraw/zinc/25/57/52/319255752.db2.gz OCZDFYVJSCXQAM-SECBINFHSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@H](O)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000566290948 319269909 /nfs/dbraw/zinc/26/99/09/319269909.db2.gz LOZQVQAILRKPIJ-ZDUSSCGKSA-N -1 0 331.328 2.094 20 5 EEBDRM COc1ccc(COCCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000566294058 319271060 /nfs/dbraw/zinc/27/10/60/319271060.db2.gz PTBVMPIGZKQEOR-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM Cn1nccc1[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000567985495 319441871 /nfs/dbraw/zinc/44/18/71/319441871.db2.gz ZTPIMZSUDFEWAS-IAQYHMDHSA-N -1 0 346.343 2.359 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000573123532 319907216 /nfs/dbraw/zinc/90/72/16/319907216.db2.gz IPQPGXQOFLMVLM-LLVKDONJSA-N -1 0 333.369 2.397 20 5 EEBDRM CCOC(=O)C[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000573970370 319982966 /nfs/dbraw/zinc/98/29/66/319982966.db2.gz YLCORWKEDJIKPD-ZETCQYMHSA-N -1 0 330.724 2.025 20 5 EEBDRM CC[C@H](C)C[C@H](NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000577006756 320224137 /nfs/dbraw/zinc/22/41/37/320224137.db2.gz LDAVTBWUUCNWEG-ONGXEEELSA-N -1 0 344.389 2.071 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2nncn2c1 ZINC000181540533 323349047 /nfs/dbraw/zinc/34/90/47/323349047.db2.gz WONFIANANWYKKO-UHFFFAOYSA-N -1 0 333.691 2.249 20 5 EEBDRM CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000580781120 324128196 /nfs/dbraw/zinc/12/81/96/324128196.db2.gz JUEFKAOEPZMTBO-NSHDSACASA-N -1 0 342.373 2.246 20 5 EEBDRM C[C@H](NC(=O)N[C@H](CC(F)F)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000582983745 324568781 /nfs/dbraw/zinc/56/87/81/324568781.db2.gz CREIFINFHDGHCX-OIBJUYFYSA-N -1 0 331.275 2.063 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)c(F)c1 ZINC000083955441 463569068 /nfs/dbraw/zinc/56/90/68/463569068.db2.gz NPLWDSZWFWGYPG-UHFFFAOYSA-N -1 0 344.349 2.264 20 5 EEBDRM CC(C)CSCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000339446579 465279476 /nfs/dbraw/zinc/27/94/76/465279476.db2.gz CKEUQBKXWUIYCE-UHFFFAOYSA-N -1 0 336.410 2.401 20 5 EEBDRM COc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)c2occ([O-])c21 ZINC000351691620 465295361 /nfs/dbraw/zinc/29/53/61/465295361.db2.gz GLWZQUJAXBIREZ-UHFFFAOYSA-N -1 0 343.291 2.440 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC(n3cc(C(=O)[O-])nn3)CC2)c1 ZINC000578993475 468293291 /nfs/dbraw/zinc/29/32/91/468293291.db2.gz WAZMHGFTEVXBHR-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM C[S@@](=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000132460746 462858163 /nfs/dbraw/zinc/85/81/63/462858163.db2.gz RCQLEMWRAUKWIR-RZFZLAGVSA-N -1 0 348.380 2.150 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCOC(C)(C)C2)cc1C ZINC000156306032 463005491 /nfs/dbraw/zinc/00/54/91/463005491.db2.gz ZHLFZDGQYAMCHX-LBPRGKRZSA-N -1 0 342.417 2.448 20 5 EEBDRM Cc1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000146857884 463389183 /nfs/dbraw/zinc/38/91/83/463389183.db2.gz XCXBRXMIBJOYFB-UHFFFAOYSA-N -1 0 347.805 2.492 20 5 EEBDRM CC(=O)Nc1cccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164230295 463619592 /nfs/dbraw/zinc/61/95/92/463619592.db2.gz FJVBFRJKMTYLLE-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM Cc1nn(C)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000152194568 463659885 /nfs/dbraw/zinc/65/98/85/463659885.db2.gz YJVPOKXOHCRGRN-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2 ZINC000185181403 463771880 /nfs/dbraw/zinc/77/18/80/463771880.db2.gz GBVQJQXKNONBKI-VIFPVBQESA-N -1 0 341.323 2.286 20 5 EEBDRM COc1cc(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000261800547 463865555 /nfs/dbraw/zinc/86/55/55/463865555.db2.gz ZZYAJLBYJYUIRL-MRXNPFEDSA-N -1 0 336.344 2.176 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261914491 463898936 /nfs/dbraw/zinc/89/89/36/463898936.db2.gz QQRJXOYXPYAYFX-ZLDLUXBVSA-N -1 0 332.356 2.382 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000172182376 464010307 /nfs/dbraw/zinc/01/03/07/464010307.db2.gz WSRPRDXLCPGVLO-UHFFFAOYSA-N -1 0 349.324 2.139 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000263281309 464076690 /nfs/dbraw/zinc/07/66/90/464076690.db2.gz XHKUQOGLSJOBHS-UHFFFAOYSA-N -1 0 349.368 2.339 20 5 EEBDRM O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])Nc1ccc(Cl)cc1 ZINC000179448495 464137778 /nfs/dbraw/zinc/13/77/78/464137778.db2.gz DFXBPPLNKVDERD-UHFFFAOYSA-N -1 0 349.730 2.322 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000188114711 464204061 /nfs/dbraw/zinc/20/40/61/464204061.db2.gz CSUPKSCWSDZULP-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237584564 464343753 /nfs/dbraw/zinc/34/37/53/464343753.db2.gz GMSDIPRIGHODQU-BPNCWPANSA-N -1 0 333.344 2.156 20 5 EEBDRM COC(=O)[C@]12CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000286038254 464782983 /nfs/dbraw/zinc/78/29/83/464782983.db2.gz BQBFQPRAILRJIV-SJKOYZFVSA-N -1 0 348.355 2.106 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(c2ccccc2F)CC1 ZINC000184581134 465000672 /nfs/dbraw/zinc/00/06/72/465000672.db2.gz HBZHFMVWDMMVJG-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM O=[N+]([O-])c1ccc(-c2noc([N-][C@H]3c4ccccc4C[C@H]3O)n2)cc1 ZINC000359467890 465410197 /nfs/dbraw/zinc/41/01/97/465410197.db2.gz SKDGUYJHADMONT-CABCVRRESA-N -1 0 338.323 2.715 20 5 EEBDRM CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000600047698 468442704 /nfs/dbraw/zinc/44/27/04/468442704.db2.gz KLYQEHVNOPCQTP-UHFFFAOYSA-N -1 0 348.315 2.231 20 5 EEBDRM COC(=O)[C@H]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000569224620 468459005 /nfs/dbraw/zinc/45/90/05/468459005.db2.gz ILRFTWGXJNOHNI-IONNQARKSA-N -1 0 342.735 2.025 20 5 EEBDRM COC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccco1 ZINC000353554609 465974451 /nfs/dbraw/zinc/97/44/51/465974451.db2.gz VHXXIEDWTFJNDU-NSHDSACASA-N -1 0 340.357 2.162 20 5 EEBDRM O=C(Nc1ccccc1-c1nc[nH]n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000371821546 466017984 /nfs/dbraw/zinc/01/79/84/466017984.db2.gz APHMYAZMMHQCSV-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM COCc1ccccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1 ZINC000361608609 466141080 /nfs/dbraw/zinc/14/10/80/466141080.db2.gz UUZHLZFIMGYSAA-UHFFFAOYSA-N -1 0 337.357 2.245 20 5 EEBDRM Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331849289 466274052 /nfs/dbraw/zinc/27/40/52/466274052.db2.gz CPCIWNQDBCMUPM-INIZCTEOSA-N -1 0 346.387 2.224 20 5 EEBDRM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1C ZINC000314436088 466549914 /nfs/dbraw/zinc/54/99/14/466549914.db2.gz HORHSELPHQLLPO-SCVCMEIPSA-N -1 0 328.390 2.403 20 5 EEBDRM CCC[C@@](C)(NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000319731219 466598830 /nfs/dbraw/zinc/59/88/30/466598830.db2.gz WSNHUGHFKVTEJO-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccc(O)c(F)c1 ZINC000341167621 466629486 /nfs/dbraw/zinc/62/94/86/466629486.db2.gz OXXXKVQHVOEOMS-UHFFFAOYSA-N -1 0 333.319 2.481 20 5 EEBDRM COc1ccc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1[N+](=O)[O-] ZINC000325128688 466653928 /nfs/dbraw/zinc/65/39/28/466653928.db2.gz HFMMOEXUAKDLCS-UHFFFAOYSA-N -1 0 334.284 2.133 20 5 EEBDRM O=C([O-])C1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000416431508 466733797 /nfs/dbraw/zinc/73/37/97/466733797.db2.gz IAICRCARAVKBNS-UHFFFAOYSA-N -1 0 332.316 2.700 20 5 EEBDRM O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436752807 467553792 /nfs/dbraw/zinc/55/37/92/467553792.db2.gz YMQZTOAOCNQOAQ-LLVKDONJSA-N -1 0 345.330 2.448 20 5 EEBDRM Cc1ccc(C[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1C ZINC000457327853 467803601 /nfs/dbraw/zinc/80/36/01/467803601.db2.gz RJSGYQGKGCBIQM-OAHLLOKOSA-N -1 0 344.367 2.251 20 5 EEBDRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)CCC1CCC1 ZINC000493465353 467916700 /nfs/dbraw/zinc/91/67/00/467916700.db2.gz XGWSLMOJAGVYOP-BQYQJAHWSA-N -1 0 338.385 2.244 20 5 EEBDRM CCC[C@](C)(NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000515838356 468005328 /nfs/dbraw/zinc/00/53/28/468005328.db2.gz UFRYRNMKWWRMSP-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM COc1cc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])ccc1C ZINC000576946276 468175489 /nfs/dbraw/zinc/17/54/89/468175489.db2.gz KTHOXVQESDZYBY-UHFFFAOYSA-N -1 0 331.328 2.926 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2nc(C3CC3)ncc2C1 ZINC000600418246 468551838 /nfs/dbraw/zinc/55/18/38/468551838.db2.gz BEHNINGJJNRXQE-UHFFFAOYSA-N -1 0 340.339 2.166 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000594468813 468597847 /nfs/dbraw/zinc/59/78/47/468597847.db2.gz UKTKXQWINCKLAC-CYBMUJFWSA-N -1 0 349.387 2.282 20 5 EEBDRM CC1(C)CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000592135878 468634267 /nfs/dbraw/zinc/63/42/67/468634267.db2.gz LBXPSDHFSXFLME-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM COc1cc(C(=O)N[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000595251513 468793492 /nfs/dbraw/zinc/79/34/92/468793492.db2.gz QMSPFGITBGRKNY-RZCHIYRCSA-N -1 0 348.355 2.141 20 5 EEBDRM O=C([O-])CCC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000595260934 468796506 /nfs/dbraw/zinc/79/65/06/468796506.db2.gz NXMNSFFMVNEEDR-UHFFFAOYSA-N -1 0 349.387 2.424 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCOC(C3CC3)(C3CC3)C2)n1 ZINC000595277325 468798870 /nfs/dbraw/zinc/79/88/70/468798870.db2.gz CPIHMGOLOWMQKR-UHFFFAOYSA-N -1 0 347.371 2.392 20 5 EEBDRM O=C([O-])c1cnc(N2CC[C@@H](Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000595280517 468799428 /nfs/dbraw/zinc/79/94/28/468799428.db2.gz JCXDEHOOYDAMFJ-CYBMUJFWSA-N -1 0 329.312 2.346 20 5 EEBDRM C[C@@H]1CC2(CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CCOCC2 ZINC000592953551 468827273 /nfs/dbraw/zinc/82/72/73/468827273.db2.gz VQOMEDPRVNRYGQ-LLVKDONJSA-N -1 0 348.355 2.324 20 5 EEBDRM Cn1ccnc1[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000592980156 468833534 /nfs/dbraw/zinc/83/35/34/468833534.db2.gz HMQVXOBGUHAFTJ-BXUZGUMPSA-N -1 0 346.343 2.359 20 5 EEBDRM C[C@H]1CCCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000584294657 468838822 /nfs/dbraw/zinc/83/88/22/468838822.db2.gz BIPZMMXRDSNOSH-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM COC(=O)c1ccnc(NC[C@H](CC(=O)[O-])CC(C)C)c1[N+](=O)[O-] ZINC000598732449 468977865 /nfs/dbraw/zinc/97/78/65/468977865.db2.gz QNJGRTAPSJRGKD-JTQLQIEISA-N -1 0 339.348 2.325 20 5 EEBDRM O=C1N[C@H](c2ccc([O-])c([N+](=O)[O-])c2)N2CCc3ccccc3[C@H]12 ZINC000602760975 469057958 /nfs/dbraw/zinc/05/79/58/469057958.db2.gz ZFSSTIRJYNKSKJ-CVEARBPZSA-N -1 0 325.324 2.028 20 5 EEBDRM O=C([O-])CN(CC1CC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000610844762 469086832 /nfs/dbraw/zinc/08/68/32/469086832.db2.gz VEQNHTYZEIJEAM-UHFFFAOYSA-N -1 0 335.360 2.110 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000610845542 469087409 /nfs/dbraw/zinc/08/74/09/469087409.db2.gz VUMDHPOGQMLRQA-CYBMUJFWSA-N -1 0 347.327 2.078 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCc2ccc(O)cc2CC1 ZINC000610878371 469101044 /nfs/dbraw/zinc/10/10/44/469101044.db2.gz BFZYIEQDMCYAGI-UHFFFAOYSA-N -1 0 328.324 2.247 20 5 EEBDRM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H](C(F)(F)F)O1 ZINC000610882391 469102488 /nfs/dbraw/zinc/10/24/88/469102488.db2.gz WTTMVJZJGZTKFM-XVKPBYJWSA-N -1 0 334.250 2.092 20 5 EEBDRM Cc1ccnc(N2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CC2)c1 ZINC000573687453 469186313 /nfs/dbraw/zinc/18/63/13/469186313.db2.gz IKNZIUIDRLXMIW-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1F ZINC000611220087 469197871 /nfs/dbraw/zinc/19/78/71/469197871.db2.gz BYCZIZMJWXOTED-ZDUSSCGKSA-N -1 0 348.286 2.084 20 5 EEBDRM CN(CC(=O)N(C)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000604437404 469479024 /nfs/dbraw/zinc/47/90/24/469479024.db2.gz PGAATVZERBPXRY-UHFFFAOYSA-N -1 0 349.387 2.164 20 5 EEBDRM O=C(NCCN1Cc2ccccc2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000604484926 469482592 /nfs/dbraw/zinc/48/25/92/469482592.db2.gz GKLFEDIKBIZUET-UHFFFAOYSA-N -1 0 327.340 2.046 20 5 EEBDRM C[C@](CNC(=O)Cc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000619644320 469656851 /nfs/dbraw/zinc/65/68/51/469656851.db2.gz BFOFQLCLDGYXKN-GOSISDBHSA-N -1 0 342.351 2.296 20 5 EEBDRM O=C([N-]OCCC(F)(F)F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000155099900 534710775 /nfs/dbraw/zinc/71/07/75/534710775.db2.gz XNMDKENHPIBIPK-NSHDSACASA-N -1 0 347.249 2.088 20 5 EEBDRM CCNC(=O)CCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181540559 528070109 /nfs/dbraw/zinc/07/01/09/528070109.db2.gz DGINYCHOZADXPP-UHFFFAOYSA-N -1 0 329.740 2.199 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000262788965 536955185 /nfs/dbraw/zinc/95/51/85/536955185.db2.gz KJZUONRNLRPPOV-MNOVXSKESA-N -1 0 336.344 2.111 20 5 EEBDRM Cc1ccc(C(=O)N(C)c2nc(CC(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC000738504462 578017572 /nfs/dbraw/zinc/01/75/72/578017572.db2.gz LUVHZJYSGNAZEG-UHFFFAOYSA-N -1 0 335.341 2.263 20 5 EEBDRM O=C([O-])c1cnc(N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000740260238 576417540 /nfs/dbraw/zinc/41/75/40/576417540.db2.gz OLHTXNHBIKYTTK-UHFFFAOYSA-N -1 0 347.352 2.488 20 5 EEBDRM CCNc1nnc(Sc2nccc(C(=O)[O-])c2[N+](=O)[O-])s1 ZINC000737862647 577099993 /nfs/dbraw/zinc/09/99/93/577099993.db2.gz GRORQPRYAVMGTE-UHFFFAOYSA-N -1 0 327.347 2.123 20 5 EEBDRM O=C(NC[C@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000771932086 577239686 /nfs/dbraw/zinc/23/96/86/577239686.db2.gz NFPGHCFMLCYIIO-NSHDSACASA-N -1 0 328.324 2.282 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000734704664 577322125 /nfs/dbraw/zinc/32/21/25/577322125.db2.gz VOSBYYXBHNJTOT-SECBINFHSA-N -1 0 344.389 2.091 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000750675169 577741075 /nfs/dbraw/zinc/74/10/75/577741075.db2.gz QNWOYXOXNSZQPE-JTQLQIEISA-N -1 0 326.374 2.226 20 5 EEBDRM O=C([N-]N1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000750152180 577987960 /nfs/dbraw/zinc/98/79/60/577987960.db2.gz GLEMFRSVHLSGKE-UHFFFAOYSA-N -1 0 345.698 2.189 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000738622905 578021785 /nfs/dbraw/zinc/02/17/85/578021785.db2.gz SKBZFSYSNBKXFJ-UHFFFAOYSA-N -1 0 345.267 2.382 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccsc1C(=O)[O-] ZINC000738747601 578025603 /nfs/dbraw/zinc/02/56/03/578025603.db2.gz YIABIFUNQSTILY-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CCOCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000739250111 578045673 /nfs/dbraw/zinc/04/56/73/578045673.db2.gz AGJGGYZFMFNECP-UHFFFAOYSA-N -1 0 336.222 2.201 20 5 EEBDRM O=C([O-])c1ccccc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000739325797 578048567 /nfs/dbraw/zinc/04/85/67/578048567.db2.gz XTKCECFLEKRWAD-UHFFFAOYSA-N -1 0 344.279 2.089 20 5 EEBDRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000736423893 578203031 /nfs/dbraw/zinc/20/30/31/578203031.db2.gz FUAWHAKWNIQLQV-LBPRGKRZSA-N -1 0 338.316 2.003 20 5 EEBDRM CC[C@@H](C)[C@H](O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736880153 578228275 /nfs/dbraw/zinc/22/82/75/578228275.db2.gz MKRIHNMAUIJVPP-RDDDGLTNSA-N -1 0 327.293 2.020 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000819370732 597102623 /nfs/dbraw/zinc/10/26/23/597102623.db2.gz ODLZPZPZFALWRB-JTQLQIEISA-N -1 0 331.328 2.403 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000013268180 600106654 /nfs/dbraw/zinc/10/66/54/600106654.db2.gz NYVLWYLZYZBTGP-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1ccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000013074206 600764013 /nfs/dbraw/zinc/76/40/13/600764013.db2.gz MGMCPZLZROEWOM-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccn1 ZINC000833125065 600916126 /nfs/dbraw/zinc/91/61/26/600916126.db2.gz GTVHHKCMDHSUFJ-AWEZNQCLSA-N -1 0 340.295 2.027 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1 ZINC000833297676 601065003 /nfs/dbraw/zinc/06/50/03/601065003.db2.gz ILIYDAYLNXBMQD-UHFFFAOYSA-N -1 0 325.170 2.350 20 5 EEBDRM CC[C@@H](NC(=O)CCSCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000828933193 601325795 /nfs/dbraw/zinc/32/57/95/601325795.db2.gz WVSXZCKEVAJTFE-GFCCVEGCSA-N -1 0 326.374 2.370 20 5 EEBDRM C[C@H](Cc1ccncc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827597007 601325826 /nfs/dbraw/zinc/32/58/26/601325826.db2.gz JANUGSZDOJYYNR-SNVBAGLBSA-N -1 0 329.312 2.049 20 5 EEBDRM CCCCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000829326695 601641426 /nfs/dbraw/zinc/64/14/26/601641426.db2.gz OPNKHXYDKMRFIP-LBPRGKRZSA-N -1 0 339.304 2.266 20 5 EEBDRM CC(C)(CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000826562026 601711962 /nfs/dbraw/zinc/71/19/62/601711962.db2.gz WIJWTTKKBIUHNU-UHFFFAOYSA-N -1 0 344.751 2.244 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCc1ccncc1 ZINC000833306675 601896960 /nfs/dbraw/zinc/89/69/60/601896960.db2.gz DVCMEHIPKAFSDH-UHFFFAOYSA-N -1 0 332.272 2.251 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@H](O)COCC2CC2)cc1Cl ZINC000833307493 602254121 /nfs/dbraw/zinc/25/41/21/602254121.db2.gz OUVCAVSJFNYQSH-VIFPVBQESA-N -1 0 344.751 2.146 20 5 EEBDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000831976015 602347059 /nfs/dbraw/zinc/34/70/59/602347059.db2.gz KKAMLYGXFAAZGV-CLTKARDFSA-N -1 0 344.279 2.315 20 5 EEBDRM Cc1cc([C@H](C)OC(=O)Cn2cc([N+](=O)[O-])nc2C)oc1C(=O)[O-] ZINC000832872102 604575340 /nfs/dbraw/zinc/57/53/40/604575340.db2.gz MARMZEYDOXWFAU-QMMMGPOBSA-N -1 0 337.288 2.004 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1[N+](=O)[O-] ZINC000827097551 604896220 /nfs/dbraw/zinc/89/62/20/604896220.db2.gz QDEYADWGIZYTBN-SNVBAGLBSA-N -1 0 344.327 2.270 20 5 EEBDRM C/C(=C\C(=O)NC1CCN(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000833383083 605449082 /nfs/dbraw/zinc/44/90/82/605449082.db2.gz QZZJQJGTUDXSPX-ZHACJKMWSA-N -1 0 333.344 2.257 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000262417981 677872777 /nfs/dbraw/zinc/87/27/77/677872777.db2.gz KJDMHSOOGPRSKC-UHFFFAOYSA-N -1 0 331.328 2.403 20 5 EEBDRM Cc1cccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000262293232 685230375 /nfs/dbraw/zinc/23/03/75/685230375.db2.gz OWEIRXDOTFUHOL-NXEZZACHSA-N -1 0 346.261 2.238 20 5 EEBDRM COc1cccc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000263558713 690138661 /nfs/dbraw/zinc/13/86/61/690138661.db2.gz PWJMQEIXSJKFKQ-HTQZYQBOSA-N -1 0 334.250 2.303 20 5 EEBDRM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[N-]OC2CCC2)ccc1[N+](=O)[O-] ZINC000812795286 1200933059 /nfs/dbraw/zinc/93/30/59/1200933059.db2.gz ZZTPQIVJUJYAEC-HNNXBMFYSA-N -1 0 347.371 2.108 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C(CF)CF)c(Cl)cc1Cl ZINC000885417257 1202412349 /nfs/dbraw/zinc/41/23/49/1202412349.db2.gz XBYHZYNBCMZYAC-UHFFFAOYSA-N -1 0 349.142 2.488 20 5 EEBDRM C[C@](O)(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(F)cc1 ZINC000089910587 1212074836 /nfs/dbraw/zinc/07/48/36/1212074836.db2.gz ZMSMINQWSXWCTN-INIZCTEOSA-N -1 0 334.303 2.077 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c(Cl)n1 ZINC000800831790 1234637042 /nfs/dbraw/zinc/63/70/42/1234637042.db2.gz HPLUAIBOYBHWJY-UHFFFAOYSA-N -1 0 343.748 2.458 20 5 EEBDRM Cc1cc(=O)c(COC(=O)CSc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000802171707 1237044763 /nfs/dbraw/zinc/04/47/63/1237044763.db2.gz PRZCLVZKFZHHCT-UHFFFAOYSA-N -1 0 335.341 2.234 20 5 EEBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1 ZINC001216925287 1297334581 /nfs/dbraw/zinc/33/45/81/1297334581.db2.gz NPEYALYTWWOAGE-UHFFFAOYSA-N -1 0 347.218 2.460 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC001226648374 1301492410 /nfs/dbraw/zinc/49/24/10/1301492410.db2.gz DTCGVLNKLHYSHN-LLVKDONJSA-N -1 0 345.311 2.333 20 5 EEBDRM O=C([O-])CC[C@@H](O)C(=O)Oc1ccc2c(=O)c3ccccc3oc2c1 ZINC001228180162 1302141869 /nfs/dbraw/zinc/14/18/69/1302141869.db2.gz OZFWYAUGAWNNHX-CYBMUJFWSA-N -1 0 342.303 2.077 20 5 EEBDRM COC[C@@H](C)OC[C@@H](C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231223302 1303688662 /nfs/dbraw/zinc/68/86/62/1303688662.db2.gz FPJVWTWVBCOUCV-RKDXNWHRSA-N -1 0 330.293 2.027 20 5 EEBDRM O=C([O-])C[C@@H](O)C(=O)Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC001231253527 1303703872 /nfs/dbraw/zinc/70/38/72/1303703872.db2.gz MNWPUOQHDLNTKP-CQSZACIVSA-N -1 0 331.280 2.003 20 5 EEBDRM COC(=O)[C@H](Cc1ccccc1)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-] ZINC001231259884 1303708175 /nfs/dbraw/zinc/70/81/75/1303708175.db2.gz PYEWKGHSXXBQSB-ZDUSSCGKSA-N -1 0 332.312 2.167 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)NCCC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000843332281 1315892328 /nfs/dbraw/zinc/89/23/28/1315892328.db2.gz LQVVGYNINZHQEC-UHFFFAOYSA-N -1 0 339.304 2.042 20 5 EEBDRM O=C1[N-]C(=O)[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)S1 ZINC001155846406 1317762644 /nfs/dbraw/zinc/76/26/44/1317762644.db2.gz PVOVHTZDYGRGAJ-CYBMUJFWSA-N -1 0 330.325 2.378 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001601007169 1350187692 /nfs/dbraw/zinc/18/76/92/1350187692.db2.gz QEQZSIXSMIJDOU-NKWVEPMBSA-N -1 0 336.270 2.402 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCC(=O)OC2CCCCC2)n1 ZINC001601280485 1350247965 /nfs/dbraw/zinc/24/79/65/1350247965.db2.gz PLTYFRCDIVCVSJ-UHFFFAOYSA-N -1 0 337.332 2.366 20 5 EEBDRM O=C([O-])c1cnc(NCc2ccc3c(=O)cc[nH]c3c2)c([N+](=O)[O-])c1 ZINC001602533297 1350540478 /nfs/dbraw/zinc/54/04/78/1350540478.db2.gz FNBULLNCIITWIQ-UHFFFAOYSA-N -1 0 340.295 2.142 20 5 EEBDRM O=C([O-])[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[C@H]1CCOC1 ZINC001608543382 1351713014 /nfs/dbraw/zinc/71/30/14/1351713014.db2.gz LIZJLAUJJSQOFH-JQWIXIFHSA-N -1 0 331.328 2.292 20 5 EEBDRM Cc1cc(N2CCC(CC(=O)N(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607683420 1351538752 /nfs/dbraw/zinc/53/87/52/1351538752.db2.gz IOUVNLINQKEWPJ-UHFFFAOYSA-N -1 0 349.387 2.296 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)n1 ZINC001607708601 1351543686 /nfs/dbraw/zinc/54/36/86/1351543686.db2.gz GDLZUEMJHZAYSE-UHFFFAOYSA-N -1 0 329.312 2.269 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)OCC(=O)C(C)(C)C(=O)[O-])cc1Cl ZINC001607708466 1351543711 /nfs/dbraw/zinc/54/37/11/1351543711.db2.gz BUDBKJKQBKRKPK-UHFFFAOYSA-N -1 0 343.719 2.393 20 5 EEBDRM COc1ccc(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])cc1 ZINC001308992782 1331611858 /nfs/dbraw/zinc/61/18/58/1331611858.db2.gz MWBODTYGQJQIHN-UHFFFAOYSA-N -1 0 342.398 2.452 20 5 EEBDRM O=C([O-])c1c(F)cccc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001608830062 1351773563 /nfs/dbraw/zinc/77/35/63/1351773563.db2.gz ZHMOSDRLNNHDDS-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2CCN2C2CCCC2)cc([N+](=O)[O-])c1 ZINC001608853780 1351779102 /nfs/dbraw/zinc/77/91/02/1351779102.db2.gz YLYGPXMAJNNASP-AWEZNQCLSA-N -1 0 333.344 2.248 20 5 EEBDRM CC(C)c1cccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001319155806 1332658478 /nfs/dbraw/zinc/65/84/78/1332658478.db2.gz AVWYSKILKQLFBJ-UHFFFAOYSA-N -1 0 349.368 2.232 20 5 EEBDRM CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001320086756 1332821339 /nfs/dbraw/zinc/82/13/39/1332821339.db2.gz PKEOECXSTDOGSO-JTQLQIEISA-N -1 0 326.374 2.226 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001608984507 1351807787 /nfs/dbraw/zinc/80/77/87/1351807787.db2.gz GBPWWZINVVCIPF-UHFFFAOYSA-N -1 0 342.210 2.116 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC001609023488 1351817713 /nfs/dbraw/zinc/81/77/13/1351817713.db2.gz GROZYLXCTXJSOM-UHFFFAOYSA-N -1 0 346.295 2.314 20 5 EEBDRM CC(C)(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001609647631 1352049665 /nfs/dbraw/zinc/04/96/65/1352049665.db2.gz AWRZEHXFUJGSME-JTQLQIEISA-N -1 0 348.277 2.394 20 5 EEBDRM C[C@@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)O1 ZINC001609874885 1352109113 /nfs/dbraw/zinc/10/91/13/1352109113.db2.gz YXQQXNPJHGDDDF-MRVPVSSYSA-N -1 0 339.304 2.205 20 5 EEBDRM CCC(CC)(NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)[O-] ZINC001609915902 1352118889 /nfs/dbraw/zinc/11/88/89/1352118889.db2.gz IVEQUVKEASLFCB-UHFFFAOYSA-N -1 0 346.343 2.358 20 5 EEBDRM COC(=O)c1ccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC001610210564 1352186847 /nfs/dbraw/zinc/18/68/47/1352186847.db2.gz SLZLVAYJDIMAQX-UHFFFAOYSA-N -1 0 349.251 2.030 20 5 EEBDRM O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892598 1338365684 /nfs/dbraw/zinc/36/56/84/1338365684.db2.gz DOPBBUIEEALZNY-UHFFFAOYSA-N -1 0 341.389 2.155 20 5 EEBDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCCCC1 ZINC000847892602 1338365710 /nfs/dbraw/zinc/36/57/10/1338365710.db2.gz FXZTXTLRFIEIOR-UHFFFAOYSA-N -1 0 341.389 2.155 20 5 EEBDRM Cc1cc(COC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])oc1C(=O)[O-] ZINC001610462275 1352226609 /nfs/dbraw/zinc/22/66/09/1352226609.db2.gz XPMVWEOLUFMHFI-UHFFFAOYSA-N -1 0 337.288 2.398 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001610648692 1352257588 /nfs/dbraw/zinc/25/75/88/1352257588.db2.gz AJSJHGPVJAHFST-CQSZACIVSA-N -1 0 348.286 2.169 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCNC(=O)c2ccccc2)c1 ZINC001610841106 1352283544 /nfs/dbraw/zinc/28/35/44/1352283544.db2.gz IBRSYNNXWHWWMG-UHFFFAOYSA-N -1 0 329.312 2.135 20 5 EEBDRM O=C([O-])c1sc2cccc(F)c2c1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001610873804 1352288982 /nfs/dbraw/zinc/28/89/82/1352288982.db2.gz ATLFHHKQQQJVNZ-HZGVNTEJSA-N -1 0 339.300 2.447 20 5 EEBDRM O=[N+]([O-])c1cn(Cc2csc(C3CCCC3)n2)nc1-c1nnn[n-]1 ZINC001593486444 1349815589 /nfs/dbraw/zinc/81/55/89/1349815589.db2.gz SUKGEANWEGUMKP-UHFFFAOYSA-N -1 0 346.376 2.134 20 5 EEBDRM COc1cccc([C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001599687096 1349948293 /nfs/dbraw/zinc/94/82/93/1349948293.db2.gz TYCQFVWFDOFFQV-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM Cc1c(NC(=O)NC(C)(C)C(C)(C)O)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600038939 1349959801 /nfs/dbraw/zinc/95/98/01/1349959801.db2.gz BFDNBJBRLLTERM-UHFFFAOYSA-N -1 0 339.348 2.272 20 5 EEBDRM Cc1c(NC(=O)NO[C@H]2CCCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044030 1349961057 /nfs/dbraw/zinc/96/10/57/1349961057.db2.gz BMUDOPOCCPQOPR-LBPRGKRZSA-N -1 0 339.304 2.181 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1nc(C(=O)[O-])co1 ZINC001600164770 1349983778 /nfs/dbraw/zinc/98/37/78/1349983778.db2.gz HWAJFBGHBDHJED-UHFFFAOYSA-N -1 0 334.288 2.220 20 5 EEBDRM Cc1cc(N2CCCN(C(=O)C3CC3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240515 1349999589 /nfs/dbraw/zinc/99/95/89/1349999589.db2.gz PGGZOJQGRBCRGP-UHFFFAOYSA-N -1 0 347.371 2.050 20 5 EEBDRM Cc1cc(NCC(C)(C)[C@]2(O)CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600279659 1350009468 /nfs/dbraw/zinc/00/94/68/1350009468.db2.gz QMIGWYJQWRAMBF-INIZCTEOSA-N -1 0 338.360 2.191 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1F ZINC001600304484 1350015722 /nfs/dbraw/zinc/01/57/22/1350015722.db2.gz UGOJLYNBGDNPHH-QWHCGFSZSA-N -1 0 336.319 2.225 20 5 EEBDRM Cc1ccc(C(=O)C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001600328163 1350021171 /nfs/dbraw/zinc/02/11/71/1350021171.db2.gz QQJOMQNBJHLMJD-UHFFFAOYSA-N -1 0 329.264 2.390 20 5 EEBDRM Cc1ccc(OC[C@@H](O)COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001600468901 1350059133 /nfs/dbraw/zinc/05/91/33/1350059133.db2.gz UULSHFURSQJBLF-GFCCVEGCSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1cnc(N2CCOc3c(cccc3C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001600623914 1350100636 /nfs/dbraw/zinc/10/06/36/1350100636.db2.gz JEZQBHJRLVUQOV-UHFFFAOYSA-N -1 0 329.312 2.395 20 5 EEBDRM Cc1csc([C@@H]2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001600658485 1350110569 /nfs/dbraw/zinc/11/05/69/1350110569.db2.gz FFSNBAUKLPFGBD-SECBINFHSA-N -1 0 334.357 2.447 20 5 EEBDRM Cc1oc(COC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001600853117 1350152226 /nfs/dbraw/zinc/15/22/26/1350152226.db2.gz JPYYYIVSOMTABI-UHFFFAOYSA-N -1 0 335.268 2.317 20 5 EEBDRM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001601029212 1350193943 /nfs/dbraw/zinc/19/39/43/1350193943.db2.gz YHYYOHQBSPGCCA-UHFFFAOYSA-N -1 0 342.670 2.071 20 5 EEBDRM NC(=O)C1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001601142761 1350220121 /nfs/dbraw/zinc/22/01/21/1350220121.db2.gz QEOHGMNMZSHKDB-UHFFFAOYSA-N -1 0 341.751 2.402 20 5 EEBDRM O=C([O-])C1(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001601263039 1350244347 /nfs/dbraw/zinc/24/43/47/1350244347.db2.gz YIPRCKUXPQOLED-UHFFFAOYSA-N -1 0 334.328 2.071 20 5 EEBDRM O=C([O-])c1ncoc1CCC(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC001601297666 1350251907 /nfs/dbraw/zinc/25/19/07/1350251907.db2.gz HXAZGPWEGFADDZ-UHFFFAOYSA-N -1 0 338.247 2.096 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccnc1 ZINC001601404158 1350276118 /nfs/dbraw/zinc/27/61/18/1350276118.db2.gz VVNUDQRDDFIUAB-AWEZNQCLSA-N -1 0 341.279 2.292 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(F)(F)C1 ZINC001602030775 1350422168 /nfs/dbraw/zinc/42/21/68/1350422168.db2.gz DNYCJKHIRGDQKS-UHFFFAOYSA-N -1 0 346.311 2.253 20 5 EEBDRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)O1 ZINC001602035978 1350423039 /nfs/dbraw/zinc/42/30/39/1350423039.db2.gz LXDKHFGOKWPLAA-JOYOIKCWSA-N -1 0 326.280 2.085 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCc3c(O)cccc3C2)c([N+](=O)[O-])c1 ZINC001602121385 1350444133 /nfs/dbraw/zinc/44/41/33/1350444133.db2.gz ZSJGPIPOSCHNDW-UHFFFAOYSA-N -1 0 328.324 2.490 20 5 EEBDRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001602209997 1350466914 /nfs/dbraw/zinc/46/69/14/1350466914.db2.gz QOONAIURXYGROL-SDDRHHMPSA-N -1 0 340.282 2.019 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2cccc(Cl)c2F)c1 ZINC001602299576 1350488126 /nfs/dbraw/zinc/48/81/26/1350488126.db2.gz PFSFXKGZTHXBDB-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cc3c([nH]c2=O)CCC3)c1 ZINC001602405773 1350511934 /nfs/dbraw/zinc/51/19/34/1350511934.db2.gz LMWJYQCBUWFTMR-UHFFFAOYSA-N -1 0 329.312 2.494 20 5 EEBDRM O=C([O-])[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC001602598726 1350553863 /nfs/dbraw/zinc/55/38/63/1350553863.db2.gz QXSMJBPQWKCLMQ-SNVBAGLBSA-N -1 0 331.227 2.216 20 5 EEBDRM O=C([O-])c1sccc1OS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001602597082 1350554087 /nfs/dbraw/zinc/55/40/87/1350554087.db2.gz LDZONZKWDYTOOY-UHFFFAOYSA-N -1 0 335.340 2.184 20 5 EEBDRM O=C([O-])[C@@]1(O)CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC001602624193 1350560601 /nfs/dbraw/zinc/56/06/01/1350560601.db2.gz UCONXDWSFBWBCO-LJQANCHMSA-N -1 0 336.347 2.050 20 5 EEBDRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC001603153799 1350651364 /nfs/dbraw/zinc/65/13/64/1350651364.db2.gz RHVZCJSBDQCJCG-LKFCYVNXSA-N -1 0 347.302 2.175 20 5 EEBDRM C[C@H](c1cccc(Cl)c1F)n1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1 ZINC001603734949 1350754117 /nfs/dbraw/zinc/75/41/17/1350754117.db2.gz LEWPGSFDFBPYEA-ZCFIWIBFSA-N -1 0 337.702 2.373 20 5 EEBDRM C[C@](O)(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001604367070 1350924467 /nfs/dbraw/zinc/92/44/67/1350924467.db2.gz JVRYZSPIJIZZBL-MRXNPFEDSA-N -1 0 348.286 2.278 20 5 EEBDRM CC[C@H]1[C@H](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001605150667 1351088819 /nfs/dbraw/zinc/08/88/19/1351088819.db2.gz DQKHFUZYDYPBLK-SKDRFNHKSA-N -1 0 342.373 2.102 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N(CCc1ccccc1)CC(=O)[O-] ZINC001605905182 1351251381 /nfs/dbraw/zinc/25/13/81/1351251381.db2.gz PVNSFROOPAADQP-UHFFFAOYSA-N -1 0 332.360 2.253 20 5 EEBDRM COc1c(NC(=O)c2cc([N+](=O)[O-])cnc2C)cccc1C(=O)[O-] ZINC001607034419 1351401901 /nfs/dbraw/zinc/40/19/01/1351401901.db2.gz BBLURZWQTNAMBL-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001607126458 1351429601 /nfs/dbraw/zinc/42/96/01/1351429601.db2.gz NWGAYNUDBBISIS-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCOc2ncccc2F)n1 ZINC001607589066 1351520423 /nfs/dbraw/zinc/52/04/23/1351520423.db2.gz DWUGFACWHXOEHB-UHFFFAOYSA-N -1 0 336.279 2.021 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC2(C3(O)CCC3)CCC2)n1 ZINC001607589210 1351520678 /nfs/dbraw/zinc/52/06/78/1351520678.db2.gz GTNAHRMJIGBXKG-UHFFFAOYSA-N -1 0 335.360 2.494 20 5 EEBDRM Cc1ccnc(C2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])CC2)n1 ZINC001607894224 1351581178 /nfs/dbraw/zinc/58/11/78/1351581178.db2.gz YZTHKCTYFMDJDD-UHFFFAOYSA-N -1 0 343.343 2.170 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001607985220 1351597919 /nfs/dbraw/zinc/59/79/19/1351597919.db2.gz REOFZXXBGFRGQO-UHFFFAOYSA-N -1 0 333.275 2.317 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC001608368480 1351680620 /nfs/dbraw/zinc/68/06/20/1351680620.db2.gz MVWMPPPTLSYVEA-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119323049 1369557599 /nfs/dbraw/zinc/55/75/99/1369557599.db2.gz OYLKNKRKBWVZSI-SECBINFHSA-N -1 0 332.353 2.365 20 5 EEBDRM Cn1cc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)cn1 ZINC001117350104 1371750990 /nfs/dbraw/zinc/75/09/90/1371750990.db2.gz HPIVWIMXGSMXRV-DAXSKMNVSA-N -1 0 339.311 2.367 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000837389248 1372784080 /nfs/dbraw/zinc/78/40/80/1372784080.db2.gz VNRUQNUDTGLFIZ-NSHDSACASA-N -1 0 348.355 2.135 20 5 EEBDRM CCc1[nH]c(C(=O)OCc2onc(C)c2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC001605771271 1404753205 /nfs/dbraw/zinc/75/32/05/1404753205.db2.gz RSYIHIOOGMKOGQ-UHFFFAOYSA-N -1 0 337.288 2.145 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237937797 774417074 /nfs/dbraw/zinc/41/70/74/774417074.db2.gz XZNRQVVWRULUHM-JTQLQIEISA-N -1 0 346.343 2.331 20 5 EEBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccc(F)n1 ZINC000130830868 774529625 /nfs/dbraw/zinc/52/96/25/774529625.db2.gz JBUXNHZNKBACKQ-UHFFFAOYSA-N -1 0 325.321 2.113 20 5 EEBDRM O=C([O-])CCCCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000238165594 774766085 /nfs/dbraw/zinc/76/60/85/774766085.db2.gz HJKVOMDKPSTVPS-UHFFFAOYSA-N -1 0 346.343 2.155 20 5 EEBDRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000842673949 778345939 /nfs/dbraw/zinc/34/59/39/778345939.db2.gz TUTRNTSTMWLXSZ-WDEREUQCSA-N -1 0 340.401 2.472 20 5 EEBDRM Cn1nc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000816710578 784221775 /nfs/dbraw/zinc/22/17/75/784221775.db2.gz UXHIGGIZEUFKJU-UHFFFAOYSA-N -1 0 341.121 2.049 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CCC(C)C ZINC000817717218 784951331 /nfs/dbraw/zinc/95/13/31/784951331.db2.gz XRXPFJMGKZCQKX-UHFFFAOYSA-N -1 0 328.390 2.317 20 5 EEBDRM COCc1nsc([N-]C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])n1 ZINC000843853895 788691872 /nfs/dbraw/zinc/69/18/72/788691872.db2.gz VVLBIKNNGCZYGB-UHFFFAOYSA-N -1 0 326.309 2.293 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@](C)(O)c2ccccc2)n1 ZINC000844211119 788928657 /nfs/dbraw/zinc/92/86/57/788928657.db2.gz GWBCBQDEUMAEKJ-INIZCTEOSA-N -1 0 331.328 2.316 20 5 EEBDRM Cc1cc(C)cc([C@H](O)CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000844212870 788930979 /nfs/dbraw/zinc/93/09/79/788930979.db2.gz OJPKLMDRKNBEKG-CYBMUJFWSA-N -1 0 331.328 2.450 20 5 EEBDRM O=C(CCC1CCC1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151429180 788958013 /nfs/dbraw/zinc/95/80/13/788958013.db2.gz UPKQWWWKOHQRKE-UHFFFAOYSA-N -1 0 340.401 2.164 20 5 EEBDRM O=C([O-])[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923224214 789160300 /nfs/dbraw/zinc/16/03/00/789160300.db2.gz MFDZPZVRONVTEH-MRVPVSSYSA-N -1 0 329.150 2.264 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)C2CC2)cc([N+](=O)[O-])c1C ZINC000176513795 795210987 /nfs/dbraw/zinc/21/09/87/795210987.db2.gz CKPNCFPRSLHDSP-SNVBAGLBSA-N -1 0 326.374 2.063 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)c(F)c1 ZINC000345799236 939128438 /nfs/dbraw/zinc/12/84/38/939128438.db2.gz JUVDNHFYKCOSFW-NSHDSACASA-N -1 0 341.682 2.271 20 5 EEBDRM CC[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589555041 948780306 /nfs/dbraw/zinc/78/03/06/948780306.db2.gz CXTDNZIADREGQW-SNVBAGLBSA-N -1 0 346.343 2.082 20 5 EEBDRM CC[C@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001589575842 948949096 /nfs/dbraw/zinc/94/90/96/948949096.db2.gz AHPCKWYWXKYMNM-LBPRGKRZSA-N -1 0 333.300 2.015 20 5 EEBDRM COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000261904530 950050451 /nfs/dbraw/zinc/05/04/51/950050451.db2.gz PHKMSBSHWVAELK-NSHDSACASA-N -1 0 336.344 2.320 20 5 EEBDRM O=C([O-])[C@H]1CCCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001595198306 952306942 /nfs/dbraw/zinc/30/69/42/952306942.db2.gz XPQJNYJXRQWSMY-VIFPVBQESA-N -1 0 346.299 2.352 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC001594741502 953364339 /nfs/dbraw/zinc/36/43/39/953364339.db2.gz ZDZLHTHAAZPESI-UHFFFAOYSA-N -1 0 344.270 2.181 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001589268166 953383646 /nfs/dbraw/zinc/38/36/46/953383646.db2.gz CZSCFZJBTZLTHE-JQWIXIFHSA-N -1 0 338.335 2.236 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001589297959 953660792 /nfs/dbraw/zinc/66/07/92/953660792.db2.gz BTMUHXITCXKCDV-DZGBDDFRSA-N -1 0 332.356 2.410 20 5 EEBDRM C[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C(=O)[O-] ZINC001589325133 953896432 /nfs/dbraw/zinc/89/64/32/953896432.db2.gz IIZWQZNBRPRVKR-HWPZZCPQSA-N -1 0 345.355 2.330 20 5 EEBDRM C[C@H](CN(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(=O)[O-] ZINC001589031406 955522671 /nfs/dbraw/zinc/52/26/71/955522671.db2.gz HHGCFXHVWYBGEM-LLVKDONJSA-N -1 0 343.339 2.450 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001589186764 956560201 /nfs/dbraw/zinc/56/02/01/956560201.db2.gz CIVPXNRGTXXUKN-OAHLLOKOSA-N -1 0 332.316 2.084 20 5 EEBDRM CON(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](C)C(=O)[O-] ZINC001594039036 957845647 /nfs/dbraw/zinc/84/56/47/957845647.db2.gz JNXHWWGMHVBATJ-LURJTMIESA-N -1 0 336.222 2.090 20 5 EEBDRM Cc1cccc([C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C(=O)[O-])c1 ZINC001594394087 958753428 /nfs/dbraw/zinc/75/34/28/958753428.db2.gz QGYAEQJRZPJYSK-AWEZNQCLSA-N -1 0 347.302 2.180 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001573498775 959043249 /nfs/dbraw/zinc/04/32/49/959043249.db2.gz MEPJKJTWDDJGMY-VIFPVBQESA-N -1 0 346.286 2.283 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000235770034 960491733 /nfs/dbraw/zinc/49/17/33/960491733.db2.gz POZCZDSSYIUEMA-LBPRGKRZSA-N -1 0 344.165 2.443 20 5 EEBDRM CC(C)(CCC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)[N+](=O)[O-] ZINC001609777446 970524182 /nfs/dbraw/zinc/52/41/82/970524182.db2.gz OTIVYPVEAQUXCZ-UHFFFAOYSA-N -1 0 342.373 2.293 20 5 EEBDRM O=C([O-])CC[C@H]1Cc2ccccc2N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001606135867 973385287 /nfs/dbraw/zinc/38/52/87/973385287.db2.gz WYTSYNPNRMCDDH-ZDUSSCGKSA-N -1 0 344.371 2.335 20 5 EEBDRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC001605489095 973630019 /nfs/dbraw/zinc/63/00/19/973630019.db2.gz QLLLHLKBCRKDOW-QWRGUYRKSA-N -1 0 348.334 2.162 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591751783 975808315 /nfs/dbraw/zinc/80/83/15/975808315.db2.gz GENRMUJLVYOJSH-CYBMUJFWSA-N -1 0 336.344 2.461 20 5 EEBDRM Cc1c(Br)c(NC2CC(C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000693347327 976597490 /nfs/dbraw/zinc/59/74/90/976597490.db2.gz JVYNCOIVSDUHMJ-UHFFFAOYSA-N -1 0 330.138 2.336 20 5 EEBDRM C[C@@H](CNC(=O)c1ccc(C(=O)[O-])n1C)c1ccccc1[N+](=O)[O-] ZINC001592696858 979151714 /nfs/dbraw/zinc/15/17/14/979151714.db2.gz KQPFKUGZMSKADG-JTQLQIEISA-N -1 0 331.328 2.165 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@H]3CSC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000864216048 979903741 /nfs/dbraw/zinc/90/37/41/979903741.db2.gz AIWUFGWWIMZSCB-CABZTGNLSA-N -1 0 336.369 2.118 20 5 EEBDRM CC(F)(F)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001592939540 980008115 /nfs/dbraw/zinc/00/81/15/980008115.db2.gz HNNANCBJNBGPER-UHFFFAOYSA-N -1 0 339.272 2.047 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](F)CN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903912631 981035302 /nfs/dbraw/zinc/03/53/02/981035302.db2.gz GJROBJICSQPSCH-CPCISQLKSA-N -1 0 347.140 2.354 20 5 EEBDRM CCOC(=O)C1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001596580769 984494484 /nfs/dbraw/zinc/49/44/84/984494484.db2.gz OCOFTTOTYNAYDI-UHFFFAOYSA-N -1 0 336.344 2.001 20 5 EEBDRM C[C@H](CC(=O)[O-])OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001599890265 984685369 /nfs/dbraw/zinc/68/53/69/984685369.db2.gz NIUOUNZTUNRZTM-SECBINFHSA-N -1 0 333.300 2.015 20 5 EEBDRM C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@]1(C)C(=O)[O-] ZINC001599918979 985102340 /nfs/dbraw/zinc/10/23/40/985102340.db2.gz YJJBSXGJCBWCLA-GTNSWQLSSA-N -1 0 345.355 2.119 20 5 EEBDRM Cc1[nH]c(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC001599960129 985765641 /nfs/dbraw/zinc/76/56/41/985765641.db2.gz LDSPSIQKRSCCBM-UHFFFAOYSA-N -1 0 346.295 2.278 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC001589461751 986911692 /nfs/dbraw/zinc/91/16/92/986911692.db2.gz GWGYQXFRDBSJQX-MEBBXXQBSA-N -1 0 343.339 2.369 20 5 EEBDRM CC(C)(C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001589579741 987359214 /nfs/dbraw/zinc/35/92/14/987359214.db2.gz JRIJFGYGIFLWQX-XZUYRWCXSA-N -1 0 332.356 2.098 20 5 EEBDRM CCc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)nn1C ZINC001597433763 987776954 /nfs/dbraw/zinc/77/69/54/987776954.db2.gz KWMICHYVPFGORQ-UHFFFAOYSA-N -1 0 332.316 2.150 20 5 EEBDRM CS[C@@H](C)CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599785856 987919619 /nfs/dbraw/zinc/91/96/19/987919619.db2.gz XDLKOHFWTZSVJX-ZETCQYMHSA-N -1 0 327.362 2.474 20 5 EEBDRM CCc1nc(C)c(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)o1 ZINC001597656742 988712844 /nfs/dbraw/zinc/71/28/44/988712844.db2.gz FBQGIRKADMKBRE-MRXNPFEDSA-N -1 0 347.327 2.183 20 5 EEBDRM C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H]1C(=O)[O-] ZINC001599852599 989036824 /nfs/dbraw/zinc/03/68/24/989036824.db2.gz LDXYIEWDCQXFLB-BXUZGUMPSA-N -1 0 332.356 2.196 20 5 EEBDRM CCc1nnsc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001597741457 989099236 /nfs/dbraw/zinc/09/92/36/989099236.db2.gz HSCYPMDXPRKYFA-UHFFFAOYSA-N -1 0 336.329 2.268 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)n1 ZINC001597899767 989771726 /nfs/dbraw/zinc/77/17/26/989771726.db2.gz RGCWEWZZICSTKZ-SECBINFHSA-N -1 0 332.316 2.252 20 5 EEBDRM CC(C)(CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)[O-] ZINC001590679216 990387913 /nfs/dbraw/zinc/38/79/13/990387913.db2.gz ATHYNWHLBFCUJY-UHFFFAOYSA-N -1 0 346.343 2.216 20 5 EEBDRM CC(C)CN(CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001591304864 992257835 /nfs/dbraw/zinc/25/78/35/992257835.db2.gz OOCWLLAGOPYBGE-UHFFFAOYSA-N -1 0 343.767 2.229 20 5 EEBDRM C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ncc(C(=O)[O-])s1 ZINC001593246676 994457091 /nfs/dbraw/zinc/45/70/91/994457091.db2.gz NPJWNVNTCLQIJY-GZMMTYOYSA-N -1 0 337.357 2.134 20 5 EEBDRM CNc1ccc(C(=O)NCc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001598678209 994882773 /nfs/dbraw/zinc/88/27/73/994882773.db2.gz KBEDRIAXPAZEPG-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM CC1(C)CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H]1[C@@H]1CCCO1 ZINC001593936795 996921745 /nfs/dbraw/zinc/92/17/45/996921745.db2.gz VNHZGOVQYVOQBR-KBPBESRZSA-N -1 0 348.355 2.323 20 5 EEBDRM CO[C@H]1C[C@@H](N(C)c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C12CCC2 ZINC001599093998 997245086 /nfs/dbraw/zinc/24/50/86/997245086.db2.gz ARNLXQNPMAZIER-NEPJUHHUSA-N -1 0 335.360 2.390 20 5 EEBDRM CC1CCC(NC(=O)COc2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC001594313521 999205759 /nfs/dbraw/zinc/20/57/59/999205759.db2.gz KPPPAJNKYJPQPY-UHFFFAOYSA-N -1 0 336.344 2.367 20 5 EEBDRM CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001516249708 1118999744 /nfs/dbraw/zinc/99/97/44/1118999744.db2.gz ZXKMPOIBHJQXNR-LBPRGKRZSA-N -1 0 347.375 2.101 20 5 EEBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(C2CC2)nn1 ZINC000446964179 242232945 /nfs/dbraw/zinc/23/29/45/242232945.db2.gz BJCJTXOEVKCMMU-UHFFFAOYSA-N -1 0 348.384 2.247 20 5 EEBDRM C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000262934046 245259006 /nfs/dbraw/zinc/25/90/06/245259006.db2.gz HEAQKHHUUXVDSA-ZUZCIYMTSA-N -1 0 347.371 2.494 20 5 EEBDRM O=C(/C=C\c1ccsc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000491879574 246196200 /nfs/dbraw/zinc/19/62/00/246196200.db2.gz BGCREQFLOYGGET-UPHRSURJSA-N -1 0 344.395 2.236 20 5 EEBDRM CCOC(=O)c1[nH]c(C)nc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000491934041 246222781 /nfs/dbraw/zinc/22/27/81/246222781.db2.gz DGBFIKMRQOWMSO-TWGQIWQCSA-N -1 0 344.327 2.455 20 5 EEBDRM COC(=O)NCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000495272457 247107152 /nfs/dbraw/zinc/10/71/52/247107152.db2.gz ZKHAAIWVZZDYEA-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262351957 286055726 /nfs/dbraw/zinc/05/57/26/286055726.db2.gz BMHXQPPVSMGBNU-LBPRGKRZSA-N -1 0 338.360 2.184 20 5 EEBDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000262824882 152324297 /nfs/dbraw/zinc/32/42/97/152324297.db2.gz BBAXMSXDQMKNGJ-JTQLQIEISA-N -1 0 346.343 2.353 20 5 EEBDRM O=C(CCNC(=O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092547226 159222762 /nfs/dbraw/zinc/22/27/62/159222762.db2.gz YMAIOCJFXOZPEO-UHFFFAOYSA-N -1 0 335.341 2.121 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000238126949 160228137 /nfs/dbraw/zinc/22/81/37/160228137.db2.gz GRJCEVVNXCEGBJ-UHFFFAOYSA-N -1 0 329.268 2.297 20 5 EEBDRM O=C(Nc1ccc(Cn2ccnc2)cn1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000343362759 161128525 /nfs/dbraw/zinc/12/85/25/161128525.db2.gz UEGDQOFANDVPOU-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C([O-])CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000345779370 161331750 /nfs/dbraw/zinc/33/17/50/161331750.db2.gz NVLWARPADQVGPG-UHFFFAOYSA-N -1 0 333.300 2.419 20 5 EEBDRM O=C([O-])c1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000345799273 161333177 /nfs/dbraw/zinc/33/31/77/161333177.db2.gz JZDPAPQBWXXSLZ-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM COC1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC(C)CC1 ZINC000360196110 164255345 /nfs/dbraw/zinc/25/53/45/164255345.db2.gz XKDHVRUYFFITJQ-UHFFFAOYSA-N -1 0 342.417 2.468 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CCC(=O)[O-])C(C)C)c1C ZINC000275095742 269095337 /nfs/dbraw/zinc/09/53/37/269095337.db2.gz HUOQHBRKRDQIHJ-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc1C ZINC000288249322 275038952 /nfs/dbraw/zinc/03/89/52/275038952.db2.gz BJXROALQZOWZEM-MRVPVSSYSA-N -1 0 326.296 2.441 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c1[N+](=O)[O-] ZINC000288726394 275082589 /nfs/dbraw/zinc/08/25/89/275082589.db2.gz ZIFPMEHNNZVIMJ-QMMMGPOBSA-N -1 0 326.296 2.441 20 5 EEBDRM CC(C)c1nc([C@H]2COCCN2Cc2cc([O-])ccc2[N+](=O)[O-])no1 ZINC000339079193 280669878 /nfs/dbraw/zinc/66/98/78/280669878.db2.gz BUAOAIUIGXRSMA-CQSZACIVSA-N -1 0 348.359 2.380 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000263219627 297216350 /nfs/dbraw/zinc/21/63/50/297216350.db2.gz OTZZSYZXGRXBDD-ZYHUDNBSSA-N -1 0 347.371 2.034 20 5 EEBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000237561356 297232994 /nfs/dbraw/zinc/23/29/94/297232994.db2.gz PQSIBUZPMYSMIS-VXGBXAGGSA-N -1 0 349.387 2.282 20 5 EEBDRM O=C(C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000330420043 311751057 /nfs/dbraw/zinc/75/10/57/311751057.db2.gz GIWFNDIHTFGLTD-UHFFFAOYSA-N -1 0 333.388 2.135 20 5 EEBDRM Cc1nnc2ccc(-c3noc(-c4ccc([N+](=O)[O-])c([O-])c4)n3)cn12 ZINC000350946235 312354453 /nfs/dbraw/zinc/35/44/53/312354453.db2.gz ZDHDNRZYFMLEBL-UHFFFAOYSA-N -1 0 338.283 2.369 20 5 EEBDRM Cc1ccc(N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000416448366 313226186 /nfs/dbraw/zinc/22/61/86/313226186.db2.gz TUSBKCZTRMGUDM-OCCSQVGLSA-N -1 0 335.360 2.025 20 5 EEBDRM CCOC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])nc1 ZINC000436818700 315001704 /nfs/dbraw/zinc/00/17/04/315001704.db2.gz LSYHAKLIWXJINY-UHFFFAOYSA-N -1 0 331.284 2.124 20 5 EEBDRM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1NC(N)=O ZINC000436822230 315002013 /nfs/dbraw/zinc/00/20/13/315002013.db2.gz NYBNAJZOCFCXMK-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM CCCOc1ncccc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436886574 315009393 /nfs/dbraw/zinc/00/93/93/315009393.db2.gz SRERNJDZPFPWSP-UHFFFAOYSA-N -1 0 331.328 2.414 20 5 EEBDRM COC(=O)c1ccc(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436948658 315015082 /nfs/dbraw/zinc/01/50/82/315015082.db2.gz PEZPZJHYMSYCBE-UHFFFAOYSA-N -1 0 344.323 2.060 20 5 EEBDRM COC(=O)c1cccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436978630 315018702 /nfs/dbraw/zinc/01/87/02/315018702.db2.gz VWPOEFZFXUMPHV-UHFFFAOYSA-N -1 0 330.296 2.017 20 5 EEBDRM COc1nc(N2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1C(=O)[O-] ZINC000563209272 318984508 /nfs/dbraw/zinc/98/45/08/318984508.db2.gz CNRSVBIKAOXZTQ-UHFFFAOYSA-N -1 0 345.311 2.096 20 5 EEBDRM Cc1cc(NC[C@H](O)COCC(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038993 319142544 /nfs/dbraw/zinc/14/25/44/319142544.db2.gz XZVFIIIEEKPMBR-LBPRGKRZSA-N -1 0 326.349 2.047 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000565835645 319219365 /nfs/dbraw/zinc/21/93/65/319219365.db2.gz GMXPAZVJNBVVDN-NSHDSACASA-N -1 0 335.341 2.327 20 5 EEBDRM C[C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000566066434 319240244 /nfs/dbraw/zinc/24/02/44/319240244.db2.gz SFIQODBIWVKVRI-UWVGGRQHSA-N -1 0 342.373 2.150 20 5 EEBDRM O=C([O-])Cc1ccc(NCCCOC2CCOCC2)c([N+](=O)[O-])c1 ZINC000567275603 319365785 /nfs/dbraw/zinc/36/57/85/319365785.db2.gz STUADHSPBSCDAI-UHFFFAOYSA-N -1 0 338.360 2.220 20 5 EEBDRM CC[C@@H](C)C[C@@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000567901528 319433151 /nfs/dbraw/zinc/43/31/51/319433151.db2.gz MBCZBKBKPDGPDI-ZYHUDNBSSA-N -1 0 338.360 2.152 20 5 EEBDRM CCc1ccc(S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000573730233 319960848 /nfs/dbraw/zinc/96/08/48/319960848.db2.gz XUUYHZARFQZZSZ-JTQLQIEISA-N -1 0 344.389 2.029 20 5 EEBDRM Cc1cc(NCCCOC[C@H]2CCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576945918 320218532 /nfs/dbraw/zinc/21/85/32/320218532.db2.gz DEZYINQFGBMHEQ-GFCCVEGCSA-N -1 0 338.360 2.457 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000577726803 320272230 /nfs/dbraw/zinc/27/22/30/320272230.db2.gz HZCIKWIXCXNGLG-UHFFFAOYSA-N -1 0 344.389 2.215 20 5 EEBDRM CCCC[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000578017810 320289176 /nfs/dbraw/zinc/28/91/76/320289176.db2.gz PFJQGVRPTGHQQP-SNVBAGLBSA-N -1 0 344.389 2.492 20 5 EEBDRM CN(CCOCc1ccccc1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000383656466 323527790 /nfs/dbraw/zinc/52/77/90/323527790.db2.gz MFPNBLIRWTWYAF-UHFFFAOYSA-N -1 0 331.328 2.341 20 5 EEBDRM O=C([O-])c1cnc(N[C@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000583696005 324714183 /nfs/dbraw/zinc/71/41/83/324714183.db2.gz AZUVPIXPHAOWJA-HZMBPMFUSA-N -1 0 339.373 2.155 20 5 EEBDRM COc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000325759227 465029792 /nfs/dbraw/zinc/02/97/92/465029792.db2.gz IQEJQMFRIUAWCX-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000328179323 465057762 /nfs/dbraw/zinc/05/77/62/465057762.db2.gz WAAQJWGKLCRZBC-KRWDZBQOSA-N -1 0 340.335 2.348 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)cc1 ZINC000003110894 462611302 /nfs/dbraw/zinc/61/13/02/462611302.db2.gz MNGLFPDMJCTQHD-UHFFFAOYSA-N -1 0 346.324 2.446 20 5 EEBDRM COc1cc(C(=O)N2CCC(C)(C(=O)[O-])CC2)cc([N+](=O)[O-])c1C ZINC000590702033 468312603 /nfs/dbraw/zinc/31/26/03/468312603.db2.gz SBMTWNDKHROCEQ-UHFFFAOYSA-N -1 0 336.344 2.239 20 5 EEBDRM COc1nc(C)cc(C)c1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000067180995 462976677 /nfs/dbraw/zinc/97/66/77/462976677.db2.gz WXSGMKQJINZAPP-UHFFFAOYSA-N -1 0 331.328 2.251 20 5 EEBDRM COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1OC ZINC000016601406 462983597 /nfs/dbraw/zinc/98/35/97/462983597.db2.gz MNXPLGWTJFYRMN-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1[O-] ZINC000069775790 463323744 /nfs/dbraw/zinc/32/37/44/463323744.db2.gz CCCQVBSMVALEDS-UHFFFAOYSA-N -1 0 349.730 2.322 20 5 EEBDRM Cc1sc(S(=O)(=O)N[C@@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000124227908 463399772 /nfs/dbraw/zinc/39/97/72/463399772.db2.gz CGBZFNJBKYOJLH-JTQLQIEISA-N -1 0 336.435 2.040 20 5 EEBDRM Cc1cc(C(=O)NCC(=O)Nc2ccc(O)cc2F)ccc1[N+](=O)[O-] ZINC000124388240 463417480 /nfs/dbraw/zinc/41/74/80/463417480.db2.gz PVSXGPJBHXKWAJ-UHFFFAOYSA-N -1 0 347.302 2.116 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)ccc1[N+](=O)[O-] ZINC000124869069 463474158 /nfs/dbraw/zinc/47/41/58/463474158.db2.gz IUHWACPRNBIPII-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000072542827 463518299 /nfs/dbraw/zinc/51/82/99/463518299.db2.gz YDUPKFKGJYGMCU-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1 ZINC000164983402 463637832 /nfs/dbraw/zinc/63/78/32/463637832.db2.gz NLUYJADMEHFMGH-MEDUHNTESA-N -1 0 330.340 2.022 20 5 EEBDRM CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000185022167 463737344 /nfs/dbraw/zinc/73/73/44/463737344.db2.gz LDLRAHPKKGNPNL-JTQLQIEISA-N -1 0 345.149 2.340 20 5 EEBDRM CCCOc1ncccc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269134249 463886697 /nfs/dbraw/zinc/88/66/97/463886697.db2.gz CQDDGPZTIZRIBF-UHFFFAOYSA-N -1 0 331.328 2.414 20 5 EEBDRM O=C(NCCCCNc1ccccn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269266614 463934044 /nfs/dbraw/zinc/93/40/44/463934044.db2.gz DJLPLEJLUZYCTJ-UHFFFAOYSA-N -1 0 330.344 2.318 20 5 EEBDRM Nc1c(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000262078434 463941492 /nfs/dbraw/zinc/94/14/92/463941492.db2.gz JVNOJRMFSWYOSA-CMPLNLGQSA-N -1 0 335.360 2.330 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])cc1SC ZINC000263367107 464092677 /nfs/dbraw/zinc/09/26/77/464092677.db2.gz AJEKVEHLTVENCZ-YUMQZZPRSA-N -1 0 342.373 2.164 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236993218 464249213 /nfs/dbraw/zinc/24/92/13/464249213.db2.gz VEJSTGCKINXUPD-HZMBPMFUSA-N -1 0 346.343 2.010 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000292709999 464315295 /nfs/dbraw/zinc/31/52/95/464315295.db2.gz YCDIMCYKGZFEJJ-HIFRSBDPSA-N -1 0 332.356 2.474 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000294378447 464484251 /nfs/dbraw/zinc/48/42/51/464484251.db2.gz WMWITIKFPAXVDR-HNNXBMFYSA-N -1 0 332.356 2.332 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 ZINC000568987577 468419001 /nfs/dbraw/zinc/41/90/01/468419001.db2.gz PNNYQKNEPUTAKY-INIZCTEOSA-N -1 0 336.344 2.115 20 5 EEBDRM O=c1[n-]nc([C@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)o1 ZINC000295140579 464720426 /nfs/dbraw/zinc/72/04/26/464720426.db2.gz DRAAQFUNGZXYGM-VIFPVBQESA-N -1 0 338.751 2.304 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2noc(C(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000182940993 464762145 /nfs/dbraw/zinc/76/21/45/464762145.db2.gz YPNXIRDGYLQMPN-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM CC(C)Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000184664430 465015594 /nfs/dbraw/zinc/01/55/94/465015594.db2.gz PYWZWQHULPWUSP-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM O=C(NCc1cc(F)cc2c1OCOC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351839553 465392962 /nfs/dbraw/zinc/39/29/62/465392962.db2.gz PZWNJVWVOATAKL-UHFFFAOYSA-N -1 0 348.286 2.236 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c([N+](=O)[O-])n1 ZINC000339691015 465446069 /nfs/dbraw/zinc/44/60/69/465446069.db2.gz SWHZZFYXFHHXAN-UHFFFAOYSA-N -1 0 347.356 2.160 20 5 EEBDRM CCc1ccc([C@H](CO)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356768588 465529108 /nfs/dbraw/zinc/52/91/08/465529108.db2.gz HCQGYISWRPAJBV-INIZCTEOSA-N -1 0 330.340 2.326 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)Cc1cccc(F)c1 ZINC000362555436 465826233 /nfs/dbraw/zinc/82/62/33/465826233.db2.gz JIRDUTWZDLNSMH-CYBMUJFWSA-N -1 0 346.314 2.407 20 5 EEBDRM O=c1[nH]cccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000580111997 468468860 /nfs/dbraw/zinc/46/88/60/468468860.db2.gz DCOWKINCSPZSOM-UHFFFAOYSA-N -1 0 329.721 2.150 20 5 EEBDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000323523214 466638946 /nfs/dbraw/zinc/63/89/46/466638946.db2.gz JEQYRKVTUZZTKT-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM C[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000424252028 467013215 /nfs/dbraw/zinc/01/32/15/467013215.db2.gz JWNJACSUQKOMEW-NHYWBVRUSA-N -1 0 336.344 2.075 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000431985186 467207834 /nfs/dbraw/zinc/20/78/34/467207834.db2.gz FJCBATAVOGPXKS-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM CCOc1ccccc1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000435728354 467491612 /nfs/dbraw/zinc/49/16/12/467491612.db2.gz KWEICNWLAKUQFM-UHFFFAOYSA-N -1 0 340.361 2.011 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)OC(C)(C)C ZINC000458398976 467824122 /nfs/dbraw/zinc/82/41/22/467824122.db2.gz SVKWKKKWTMKCJY-JTQLQIEISA-N -1 0 338.360 2.350 20 5 EEBDRM CCC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000493657880 467958725 /nfs/dbraw/zinc/95/87/25/467958725.db2.gz NMMRIMHPBLUNSL-UHFFFAOYSA-N -1 0 341.172 2.159 20 5 EEBDRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000493697825 467966325 /nfs/dbraw/zinc/96/63/25/467966325.db2.gz VSPDMNHSWOWSEA-NEQXKTFVSA-N -1 0 336.319 2.316 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)/C=C\C(C)(C)C)cccc1[N+](=O)[O-] ZINC000493815982 467989549 /nfs/dbraw/zinc/98/95/49/467989549.db2.gz GMKGGIMGRRYGMC-HJWRWDBZSA-N -1 0 340.401 2.452 20 5 EEBDRM O=C([O-])c1cc(N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000516773434 468046034 /nfs/dbraw/zinc/04/60/34/468046034.db2.gz UEVDOOMKUBFLNY-GZMMTYOYSA-N -1 0 348.277 2.290 20 5 EEBDRM C[C@H]1CCC[C@H]1CNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583088026 468641736 /nfs/dbraw/zinc/64/17/36/468641736.db2.gz QTPZRRYKZQIDHG-UWVGGRQHSA-N -1 0 342.373 2.008 20 5 EEBDRM CC(C)SCC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875758 468672572 /nfs/dbraw/zinc/67/25/72/468672572.db2.gz MTQDADAVJYTNRR-CQSZACIVSA-N -1 0 326.374 2.152 20 5 EEBDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000600877333 468673573 /nfs/dbraw/zinc/67/35/73/468673573.db2.gz JJRZTWDGUBNAGR-UHFFFAOYSA-N -1 0 346.343 2.444 20 5 EEBDRM COC1CCC(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000600883925 468675375 /nfs/dbraw/zinc/67/53/75/468675375.db2.gz ZTXOCEUPJBQBCU-UHFFFAOYSA-N -1 0 336.344 2.228 20 5 EEBDRM CCOc1ccc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000592468340 468704573 /nfs/dbraw/zinc/70/45/73/468704573.db2.gz RVXIBYXTDKFVJR-CMPLNLGQSA-N -1 0 336.344 2.176 20 5 EEBDRM CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592773819 468781343 /nfs/dbraw/zinc/78/13/43/468781343.db2.gz HAWPMYWVXHUGTF-MRVPVSSYSA-N -1 0 344.751 2.366 20 5 EEBDRM CNC(=O)CC1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCCC1 ZINC000598384922 468849317 /nfs/dbraw/zinc/84/93/17/468849317.db2.gz FQUOAQRHHOFPMP-UHFFFAOYSA-N -1 0 349.387 2.117 20 5 EEBDRM C[C@@H](NC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000572343179 468918569 /nfs/dbraw/zinc/91/85/69/468918569.db2.gz NFYXEJKUYYHPAO-XCBNKYQSSA-N -1 0 349.265 2.361 20 5 EEBDRM O=C([O-])CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000598657715 468948790 /nfs/dbraw/zinc/94/87/90/468948790.db2.gz DSPPDVGYFSMALX-UHFFFAOYSA-N -1 0 345.355 2.474 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000598661656 468949443 /nfs/dbraw/zinc/94/94/43/468949443.db2.gz MOKUKAKPELPNNT-DOMZBBRYSA-N -1 0 349.387 2.429 20 5 EEBDRM O=C1N[C@H](c2ccc([N+](=O)[O-])c([O-])c2)N2CCc3ccccc3[C@H]12 ZINC000602759254 469055384 /nfs/dbraw/zinc/05/53/84/469055384.db2.gz SGLJWJVJCZZFBI-CVEARBPZSA-N -1 0 325.324 2.028 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000562884260 469097563 /nfs/dbraw/zinc/09/75/63/469097563.db2.gz DRHFXKXBQBTHEI-SCZZXKLOSA-N -1 0 345.302 2.372 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000595979128 469105146 /nfs/dbraw/zinc/10/51/46/469105146.db2.gz REZUAVBAWSBOIR-PTHKFVFGSA-N -1 0 334.250 2.250 20 5 EEBDRM O=c1[n-]c(CCCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)n[nH]1 ZINC000596144160 469174676 /nfs/dbraw/zinc/17/46/76/469174676.db2.gz AWJMSDQQHCIMIE-UHFFFAOYSA-N -1 0 331.254 2.482 20 5 EEBDRM COc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619466193 469616096 /nfs/dbraw/zinc/61/60/96/469616096.db2.gz FNOIZFPGHFWHII-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C)c(O)c1 ZINC000619467703 469616862 /nfs/dbraw/zinc/61/68/62/469616862.db2.gz XLMKKVKTLWOGJU-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C)nc1C ZINC000619507233 469628635 /nfs/dbraw/zinc/62/86/35/469628635.db2.gz ROELCQGYDOKMMA-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CC(C)N(C)C(=O)C1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000160021486 528794929 /nfs/dbraw/zinc/79/49/29/528794929.db2.gz UKBQMZTWMHZVTE-UHFFFAOYSA-N -1 0 349.387 2.019 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000263055260 535426021 /nfs/dbraw/zinc/42/60/21/535426021.db2.gz FWQAFZBXUSJXGL-ZDUSSCGKSA-N -1 0 348.355 2.320 20 5 EEBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000732900159 577196594 /nfs/dbraw/zinc/19/65/94/577196594.db2.gz XVCZAAIVDJYAHH-UHFFFAOYSA-N -1 0 342.354 2.028 20 5 EEBDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000772541262 577281021 /nfs/dbraw/zinc/28/10/21/577281021.db2.gz LAFOFOIJZOZOBN-UHFFFAOYSA-N -1 0 349.368 2.232 20 5 EEBDRM Cn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])nc2cc(F)ccc21 ZINC000772946093 577307084 /nfs/dbraw/zinc/30/70/84/577307084.db2.gz HKJACTAXCCWPIZ-UHFFFAOYSA-N -1 0 344.302 2.256 20 5 EEBDRM CC(C)[C@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000774082058 577381991 /nfs/dbraw/zinc/38/19/91/577381991.db2.gz ANZZGOHDIKPYGG-CABZTGNLSA-N -1 0 332.403 2.143 20 5 EEBDRM CC(C)[C@@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000774082055 577382021 /nfs/dbraw/zinc/38/20/21/577382021.db2.gz ANZZGOHDIKPYGG-BXKDBHETSA-N -1 0 332.403 2.143 20 5 EEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000776196121 577454332 /nfs/dbraw/zinc/45/43/32/577454332.db2.gz UVFCNAJXPQALCX-UHFFFAOYSA-N -1 0 347.239 2.190 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-n2cccn2)nc1 ZINC000770859264 577604949 /nfs/dbraw/zinc/60/49/49/577604949.db2.gz WUAYEZMKXNAMOH-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cccc3c2COC3=O)cccc1[N+](=O)[O-] ZINC000762595441 577704122 /nfs/dbraw/zinc/70/41/22/577704122.db2.gz SQIYFBGFXPHRRM-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762985693 577712173 /nfs/dbraw/zinc/71/21/73/577712173.db2.gz VSQSHKVMGFJEJV-UHFFFAOYSA-N -1 0 333.329 2.168 20 5 EEBDRM COC(=O)CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000755370506 577824356 /nfs/dbraw/zinc/82/43/56/577824356.db2.gz HAFBRWJUCWHBQB-UHFFFAOYSA-N -1 0 330.296 2.120 20 5 EEBDRM O=C([O-])Cc1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000738629671 578022149 /nfs/dbraw/zinc/02/21/49/578022149.db2.gz MNAGVISFZHRASS-UHFFFAOYSA-N -1 0 344.279 2.203 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@@H]2c2ncon2)cc([N+](=O)[O-])c1 ZINC000738668907 578023360 /nfs/dbraw/zinc/02/33/60/578023360.db2.gz IBUTYDPPXTVTSS-GFCCVEGCSA-N -1 0 346.299 2.043 20 5 EEBDRM Cc1cccc(N(CC(=O)[O-])C(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000738726353 578025134 /nfs/dbraw/zinc/02/51/34/578025134.db2.gz XBDABHLLNYZWEI-UHFFFAOYSA-N -1 0 329.312 2.338 20 5 EEBDRM O=C([O-])c1ccccc1Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC000740240707 578087100 /nfs/dbraw/zinc/08/71/00/578087100.db2.gz ZYADPSKXSJQYLU-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM C[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])CN1CCOCC1 ZINC000736606720 578214552 /nfs/dbraw/zinc/21/45/52/578214552.db2.gz JKNWINGIYUSDRT-HSBHDXMMSA-N -1 0 349.387 2.073 20 5 EEBDRM CC[C@H](C)CN(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736880598 578228199 /nfs/dbraw/zinc/22/81/99/578228199.db2.gz SBRXZTJVHVAZEE-QWRGUYRKSA-N -1 0 337.376 2.280 20 5 EEBDRM COC(=O)N1CCC[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737632741 578267726 /nfs/dbraw/zinc/26/77/26/578267726.db2.gz IGLMAMPSKOUUQU-SMYYYNMVSA-N -1 0 349.343 2.335 20 5 EEBDRM O=C([O-])[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000833115434 601058609 /nfs/dbraw/zinc/05/86/09/601058609.db2.gz QFTGIVPCCXKHDF-OAHLLOKOSA-N -1 0 349.270 2.482 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000832942774 601064451 /nfs/dbraw/zinc/06/44/51/601064451.db2.gz LLGQMYQPJRIOOY-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000013308233 601135789 /nfs/dbraw/zinc/13/57/89/601135789.db2.gz KTRYIFCTMHPHAS-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM C[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)[O-] ZINC000820182943 601356096 /nfs/dbraw/zinc/35/60/96/601356096.db2.gz PBJDNDYXPDPBTA-BYPYZUCNSA-N -1 0 336.069 2.126 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000827058283 601439913 /nfs/dbraw/zinc/43/99/13/601439913.db2.gz AHSVNANSOCWTGL-HNNXBMFYSA-N -1 0 326.324 2.381 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000833123433 601595258 /nfs/dbraw/zinc/59/52/58/601595258.db2.gz SZXCNZQLAXZMSS-SNVBAGLBSA-N -1 0 332.234 2.207 20 5 EEBDRM C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000828354826 601665340 /nfs/dbraw/zinc/66/53/40/601665340.db2.gz QFSXKJUGLKGEPS-WFASDCNBSA-N -1 0 349.387 2.280 20 5 EEBDRM Cc1cccc(OS(=O)(=O)c2cc(C(=O)[O-])cs2)c1[N+](=O)[O-] ZINC000833753664 604530154 /nfs/dbraw/zinc/53/01/54/604530154.db2.gz VCFKVNHAQFFXQC-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM CC[C@](C)(NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165253990 604652996 /nfs/dbraw/zinc/65/29/96/604652996.db2.gz CAUZJPCVBUHJOT-LBPRGKRZSA-N -1 0 345.149 2.340 20 5 EEBDRM O=C([O-])CCCNC(=S)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000833227035 604762527 /nfs/dbraw/zinc/76/25/27/604762527.db2.gz UGWGXFARNRIEFJ-UHFFFAOYSA-N -1 0 337.401 2.299 20 5 EEBDRM CS[C@@H](CO)[C@@H](C)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832742005 604800476 /nfs/dbraw/zinc/80/04/76/604800476.db2.gz FVTDQMZWIRZLON-KBUNVGBDSA-N -1 0 334.781 2.471 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC000833142401 604822996 /nfs/dbraw/zinc/82/29/96/604822996.db2.gz ILBROCFZZZPTTR-UHFFFAOYSA-N -1 0 348.286 2.241 20 5 EEBDRM C[C@@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CCCC[C@@H]1C(=O)[O-] ZINC000833568739 604894633 /nfs/dbraw/zinc/89/46/33/604894633.db2.gz BMWKVBOVCVPURT-CZUORRHYSA-N -1 0 336.344 2.123 20 5 EEBDRM C[C@@H](NC(=O)NC1CCN(C(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC000833523081 605048714 /nfs/dbraw/zinc/04/87/14/605048714.db2.gz WTWCLZMPGLRDKS-SNVBAGLBSA-N -1 0 336.348 2.097 20 5 EEBDRM C[C@@H](NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000833522681 605049072 /nfs/dbraw/zinc/04/90/72/605049072.db2.gz PYQAPDFSDHHBJY-GHMZBOCLSA-N -1 0 336.348 2.097 20 5 EEBDRM CC(C)C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000833480537 605054761 /nfs/dbraw/zinc/05/47/61/605054761.db2.gz PPISOTYAGXPZCX-AWEZNQCLSA-N -1 0 347.327 2.437 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000833782083 605125526 /nfs/dbraw/zinc/12/55/26/605125526.db2.gz LYRXAMKBNBAYNR-CYBMUJFWSA-N -1 0 348.267 2.314 20 5 EEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(C)C(=O)[O-] ZINC000833686582 605508127 /nfs/dbraw/zinc/50/81/27/605508127.db2.gz ZLEBZRCTLXYPHW-UHFFFAOYSA-N -1 0 332.259 2.131 20 5 EEBDRM COc1cc(CNc2ccc(-c3nn[nH]n3)cc2)cc([N+](=O)[O-])c1[O-] ZINC000826179678 608868838 /nfs/dbraw/zinc/86/88/38/608868838.db2.gz ZAMDBHROWFBRJE-UHFFFAOYSA-N -1 0 342.315 2.101 20 5 EEBDRM Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000013073986 678334479 /nfs/dbraw/zinc/33/44/79/678334479.db2.gz DPHGWTDKRQWAFU-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM CCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000178984117 679271590 /nfs/dbraw/zinc/27/15/90/679271590.db2.gz OFYDEDQZRLXOGK-UHFFFAOYSA-N -1 0 334.353 2.276 20 5 EEBDRM COc1cc([C@@H]2NC(=O)c3cccc(C)c3N2)cc([N+](=O)[O-])c1[O-] ZINC000028923401 683457200 /nfs/dbraw/zinc/45/72/00/683457200.db2.gz LWKGUJCWVUFQRV-HNNXBMFYSA-N -1 0 329.312 2.472 20 5 EEBDRM CC(C)(CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000262238739 684652041 /nfs/dbraw/zinc/65/20/41/684652041.db2.gz OYGJINZJFHHXEE-UHFFFAOYSA-N -1 0 346.343 2.011 20 5 EEBDRM CCC(=CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC ZINC000120547372 1198203546 /nfs/dbraw/zinc/20/35/46/1198203546.db2.gz VJWWJXBSPWPWMR-UHFFFAOYSA-N -1 0 330.337 2.285 20 5 EEBDRM COc1ncnc(OC)c1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000813241915 1201180008 /nfs/dbraw/zinc/18/00/08/1201180008.db2.gz GRRYFSBCWZUPAY-UHFFFAOYSA-N -1 0 338.707 2.308 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1[N+](=O)[O-] ZINC000121135331 1201558173 /nfs/dbraw/zinc/55/81/73/1201558173.db2.gz QXWWZTHFSZRVKD-UHFFFAOYSA-N -1 0 333.329 2.319 20 5 EEBDRM CN(CC(F)F)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000779671214 1210742841 /nfs/dbraw/zinc/74/28/41/1210742841.db2.gz QAXCZNYRBQBOAH-UHFFFAOYSA-N -1 0 343.330 2.102 20 5 EEBDRM CC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886520 1277380328 /nfs/dbraw/zinc/38/03/28/1277380328.db2.gz XQZMWPDNIBSCTR-ONGXEEELSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC12CCCC2 ZINC000850889706 1277382826 /nfs/dbraw/zinc/38/28/26/1277382826.db2.gz XODLLGDXNWCUMC-JTQLQIEISA-N -1 0 342.348 2.119 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(OC2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC001226650224 1301493871 /nfs/dbraw/zinc/49/38/71/1301493871.db2.gz SSTFXESGNHZNPJ-HTQZYQBOSA-N -1 0 325.321 2.081 20 5 EEBDRM COC(=O)c1nnc(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)[n-]1 ZINC001228315304 1302203128 /nfs/dbraw/zinc/20/31/28/1302203128.db2.gz YPMOWYUQYUHGRK-QMMMGPOBSA-N -1 0 346.221 2.182 20 5 EEBDRM Cc1cn2c(n1)[C@@H](Oc1nc(C3CC3)[n-]c(=O)c1[N+](=O)[O-])CCC2 ZINC001228602691 1302333511 /nfs/dbraw/zinc/33/35/11/1302333511.db2.gz DPGWGBDVSCYNLO-JTQLQIEISA-N -1 0 331.332 2.387 20 5 EEBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@@H]2CCn3ccnc32)c1[N+](=O)[O-] ZINC001228861872 1302489745 /nfs/dbraw/zinc/48/97/45/1302489745.db2.gz IIEFTJZPBBODLY-SSDOTTSWSA-N -1 0 330.222 2.435 20 5 EEBDRM COc1cccc2c1[C@@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])CCO2 ZINC001229378658 1302754224 /nfs/dbraw/zinc/75/42/24/1302754224.db2.gz IINGWMMWKDPBIP-NSHDSACASA-N -1 0 333.300 2.310 20 5 EEBDRM COc1ccc2nc(=O)[n-]c(O[C@@H](C[N+](=O)[O-])c3cccnc3)c2c1 ZINC001230862328 1303509014 /nfs/dbraw/zinc/50/90/14/1303509014.db2.gz NJUAXRJISXURKK-AWEZNQCLSA-N -1 0 342.311 2.136 20 5 EEBDRM O=C(Oc1ccc2c(c1)NC(=O)CC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000781152717 1303747788 /nfs/dbraw/zinc/74/77/88/1303747788.db2.gz OUKBOHZGCJTOCH-UHFFFAOYSA-N -1 0 328.280 2.404 20 5 EEBDRM COC(=O)c1c(C)[nH]c(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000837381346 1315076346 /nfs/dbraw/zinc/07/63/46/1315076346.db2.gz IAHQBZAJVQOPAC-UHFFFAOYSA-N -1 0 348.311 2.389 20 5 EEBDRM Cn1c2ccc(S(C)(=O)=O)cc2nc1-c1ccc([N+](=O)[O-])c([O-])c1 ZINC001250880982 1317359123 /nfs/dbraw/zinc/35/91/23/1317359123.db2.gz PEFBPRKFYMKPBJ-UHFFFAOYSA-N -1 0 347.352 2.258 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001251807725 1317503613 /nfs/dbraw/zinc/50/36/13/1317503613.db2.gz MFIWXAQLQFKKMK-UHFFFAOYSA-N -1 0 343.405 2.132 20 5 EEBDRM Cc1cnc([N-]C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)c(=O)[nH]1 ZINC001162709903 1320936865 /nfs/dbraw/zinc/93/68/65/1320936865.db2.gz AJRSZIIEROGRLY-UHFFFAOYSA-N -1 0 331.666 2.196 20 5 EEBDRM COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@H]1SC(=O)[N-]C1=O ZINC001163671406 1321188217 /nfs/dbraw/zinc/18/82/17/1321188217.db2.gz DVAFLTAOLWXSFL-SNVBAGLBSA-N -1 0 331.737 2.286 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC001608492502 1351704035 /nfs/dbraw/zinc/70/40/35/1351704035.db2.gz ITPBGJACACYDJO-COMAGPEQSA-N -1 0 343.339 2.305 20 5 EEBDRM Cc1c(Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)cnn1CC(=O)[O-] ZINC001600057486 1349963247 /nfs/dbraw/zinc/96/32/47/1349963247.db2.gz ZOBINBZFYHSBAR-UHFFFAOYSA-N -1 0 335.320 2.110 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001601813648 1350370951 /nfs/dbraw/zinc/37/09/51/1350370951.db2.gz BYBARLVOWXSCHC-NWDGAFQWSA-N -1 0 347.320 2.086 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)n1 ZINC001607709749 1351543659 /nfs/dbraw/zinc/54/36/59/1351543659.db2.gz NQZBNGFVZXOEDE-CYBMUJFWSA-N -1 0 347.302 2.383 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001608623115 1351728294 /nfs/dbraw/zinc/72/82/94/1351728294.db2.gz LRMPVFJDBWCONH-RKDXNWHRSA-N -1 0 338.272 2.299 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@H]1Cn1cc([N+](=O)[O-])nc1Br ZINC001608624260 1351728622 /nfs/dbraw/zinc/72/86/22/1351728622.db2.gz FEKSPUXYQPVBLX-JGVFFNPUSA-N -1 0 332.154 2.445 20 5 EEBDRM O=C([O-])Cc1ccccc1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC001608789965 1351764601 /nfs/dbraw/zinc/76/46/01/1351764601.db2.gz IUNARPQYOJRNSS-UHFFFAOYSA-N -1 0 334.303 2.465 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2CC([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001608830361 1351773579 /nfs/dbraw/zinc/77/35/79/1351773579.db2.gz LPBAXYFOCIMAFY-QMMMGPOBSA-N -1 0 326.736 2.419 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cnn3ccccc23)cc([N+](=O)[O-])c1 ZINC001608837759 1351775298 /nfs/dbraw/zinc/77/52/98/1351775298.db2.gz ALAQFALTDYOMMM-UHFFFAOYSA-N -1 0 326.268 2.193 20 5 EEBDRM O=C(Nc1cnn(Cc2cccnc2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC001319827084 1332777789 /nfs/dbraw/zinc/77/77/89/1332777789.db2.gz WXEWELGBTVVZLR-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C([O-])c1ccnc(N2CCCC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001608952615 1351801907 /nfs/dbraw/zinc/80/19/07/1351801907.db2.gz DZDSJPJBLGXDLA-VXGBXAGGSA-N -1 0 335.360 2.331 20 5 EEBDRM O=C([O-])c1cnc(Nc2cccc([C@H]3CNC(=O)C3)c2)c([N+](=O)[O-])c1 ZINC001609034006 1351820465 /nfs/dbraw/zinc/82/04/65/1351820465.db2.gz ZLZJYQYMJBPOCS-SNVBAGLBSA-N -1 0 342.311 2.035 20 5 EEBDRM Cc1nc([C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC001326344600 1334072657 /nfs/dbraw/zinc/07/26/57/1334072657.db2.gz WATPMPRRBUUPRJ-YFKPBYRVSA-N -1 0 326.696 2.136 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001609549790 1352013298 /nfs/dbraw/zinc/01/32/98/1352013298.db2.gz WMUQVRRYNSQVPO-JYKYSHPRSA-N -1 0 328.271 2.223 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)OCc2cccc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001609718121 1352067443 /nfs/dbraw/zinc/06/74/43/1352067443.db2.gz NKZMWYZERIXVIL-UHFFFAOYSA-N -1 0 333.300 2.497 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC001609906534 1352116156 /nfs/dbraw/zinc/11/61/56/1352116156.db2.gz PCSSXUBHFLXGKZ-LBPRGKRZSA-N -1 0 338.360 2.384 20 5 EEBDRM CCCC[C@@H](OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)[O-] ZINC001609965236 1352131534 /nfs/dbraw/zinc/13/15/34/1352131534.db2.gz PPSVAXPKMZNMGB-SNVBAGLBSA-N -1 0 325.273 2.124 20 5 EEBDRM CO[C@]1(C(F)(F)F)CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001610228758 1352190527 /nfs/dbraw/zinc/19/05/27/1352190527.db2.gz DFUIPRLXDKSTAU-GFCCVEGCSA-N -1 0 349.265 2.236 20 5 EEBDRM COC1(C)CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001610232763 1352191459 /nfs/dbraw/zinc/19/14/59/1352191459.db2.gz BJMFYSORECCQOS-UHFFFAOYSA-N -1 0 339.304 2.207 20 5 EEBDRM Cc1c(NC(=O)[C@H](C)Cc2cnn(C)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610420160 1352220040 /nfs/dbraw/zinc/22/00/40/1352220040.db2.gz UJDQZHDBUSAUOB-SECBINFHSA-N -1 0 346.343 2.152 20 5 EEBDRM O=C([O-])C1(COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001610657987 1352258194 /nfs/dbraw/zinc/25/81/94/1352258194.db2.gz JNLILPUAVPAIEE-UHFFFAOYSA-N -1 0 343.719 2.425 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CN2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001610665280 1352258386 /nfs/dbraw/zinc/25/83/86/1352258386.db2.gz ADNWBBBWMUDWTF-UHFFFAOYSA-N -1 0 341.323 2.247 20 5 EEBDRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001610766067 1352270861 /nfs/dbraw/zinc/27/08/61/1352270861.db2.gz XQHFIIDDDXGAGJ-NSHDSACASA-N -1 0 338.364 2.252 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccc3c(c2)C(=O)OC3)cc([N+](=O)[O-])c1 ZINC001610810863 1352278928 /nfs/dbraw/zinc/27/89/28/1352278928.db2.gz QHXLRPBVCVGURH-UHFFFAOYSA-N -1 0 342.263 2.216 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](O)COCC1CC1 ZINC001610817513 1352279963 /nfs/dbraw/zinc/27/99/63/1352279963.db2.gz MMUDPRORCCTVFX-JTQLQIEISA-N -1 0 344.751 2.146 20 5 EEBDRM O=C([O-])c1cccc(C(=O)COC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC001610843938 1352284524 /nfs/dbraw/zinc/28/45/24/1352284524.db2.gz OFOSZCUWTIPNLJ-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM Cc1c([C@@H]2C[C@H]2Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cnn1C ZINC001600105240 1349972245 /nfs/dbraw/zinc/97/22/45/1349972245.db2.gz GDSYNNRYSKJEJP-JOYOIKCWSA-N -1 0 331.332 2.006 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001600255265 1350003227 /nfs/dbraw/zinc/00/32/27/1350003227.db2.gz NRHWBHFMCZKSAE-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM Cc1cc(OCC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600285989 1350011204 /nfs/dbraw/zinc/01/12/04/1350011204.db2.gz JEJJZTGKCLNDRP-AWEZNQCLSA-N -1 0 338.360 2.240 20 5 EEBDRM Cc1cc(OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)ccc1C(=O)[O-] ZINC001600285052 1350011273 /nfs/dbraw/zinc/01/12/73/1350011273.db2.gz BUHKKBBIGHNYGY-UHFFFAOYSA-N -1 0 333.300 2.139 20 5 EEBDRM Cc1cc(OCC(=O)OCc2occc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600289666 1350012046 /nfs/dbraw/zinc/01/20/46/1350012046.db2.gz CKSCIYPXVWMRSW-UHFFFAOYSA-N -1 0 335.268 2.317 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001600447118 1350053597 /nfs/dbraw/zinc/05/35/97/1350053597.db2.gz NTUKMKQEPDEANF-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM Cc1cccc2[nH]c(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])nc21 ZINC001600555970 1350081508 /nfs/dbraw/zinc/08/15/08/1350081508.db2.gz TXJXJXNNEIGASY-UHFFFAOYSA-N -1 0 327.300 2.485 20 5 EEBDRM Cc1cnc(COCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)o1 ZINC001600621493 1350100180 /nfs/dbraw/zinc/10/01/80/1350100180.db2.gz BCOHYEMNJVCSQX-UHFFFAOYSA-N -1 0 349.299 2.053 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccccc1CC(=O)[O-] ZINC001600748422 1350127292 /nfs/dbraw/zinc/12/72/92/1350127292.db2.gz QIUDDELLWKYXPE-UHFFFAOYSA-N -1 0 330.296 2.282 20 5 EEBDRM Cn1c(=O)oc2cc(Nc3ccc(CC(=O)[O-])cc3[N+](=O)[O-])ccc21 ZINC001600898610 1350162430 /nfs/dbraw/zinc/16/24/30/1350162430.db2.gz WUTHBPOZUMOKBE-UHFFFAOYSA-N -1 0 343.295 2.410 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)n1 ZINC001600969473 1350179374 /nfs/dbraw/zinc/17/93/74/1350179374.db2.gz LPCLGDYYIKYLBJ-UHFFFAOYSA-N -1 0 342.670 2.071 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001601262979 1350244159 /nfs/dbraw/zinc/24/41/59/1350244159.db2.gz WRJRXLVSABVXFF-UHFFFAOYSA-N -1 0 346.295 2.165 20 5 EEBDRM O=C([O-])c1cccc(COC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC001601330009 1350258767 /nfs/dbraw/zinc/25/87/67/1350258767.db2.gz GMCYXCMEWKBAOM-UHFFFAOYSA-N -1 0 330.296 2.448 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC001601353217 1350264185 /nfs/dbraw/zinc/26/41/85/1350264185.db2.gz DBYPAUJUHZSVHY-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC001601364580 1350267382 /nfs/dbraw/zinc/26/73/82/1350267382.db2.gz DEKZHNQHCPMOIA-CYBMUJFWSA-N -1 0 346.314 2.261 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC001601368739 1350268407 /nfs/dbraw/zinc/26/84/07/1350268407.db2.gz LMXQQQOKCABPKL-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCOC1 ZINC001601654372 1350329181 /nfs/dbraw/zinc/32/91/81/1350329181.db2.gz BRVSBRQEGJEWRQ-JQWIXIFHSA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCc2cnc3n2CCC3)c([N+](=O)[O-])c1 ZINC001601883031 1350389961 /nfs/dbraw/zinc/38/99/61/1350389961.db2.gz OAEJESSAAKUSGB-GQCTYLIASA-N -1 0 328.328 2.447 20 5 EEBDRM O=C([O-])CCCNC(=S)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001601991939 1350412813 /nfs/dbraw/zinc/41/28/13/1350412813.db2.gz KSBZDJRQYGQEQN-UHFFFAOYSA-N -1 0 337.401 2.299 20 5 EEBDRM O=C([O-])c1cc(C2CN(c3nccc4c3cccc4[N+](=O)[O-])C2)[nH]n1 ZINC001602254719 1350478485 /nfs/dbraw/zinc/47/84/85/1350478485.db2.gz LNGJSNXFOBABRG-UHFFFAOYSA-N -1 0 339.311 2.168 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001602298552 1350487634 /nfs/dbraw/zinc/48/76/34/1350487634.db2.gz MBEBJTZHABZLJF-SSDOTTSWSA-N -1 0 339.735 2.122 20 5 EEBDRM O=C([O-])c1ccc(C(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001602316475 1350492547 /nfs/dbraw/zinc/49/25/47/1350492547.db2.gz RGNKOSBWMWTFBF-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC[C@@H]2CC3(CO2)CCOCC3)c1 ZINC001602408957 1350512907 /nfs/dbraw/zinc/51/29/07/1350512907.db2.gz YKLISSZKALCIIA-LBPRGKRZSA-N -1 0 337.328 2.258 20 5 EEBDRM O=C([O-])c1cnc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC001602519635 1350537099 /nfs/dbraw/zinc/53/70/99/1350537099.db2.gz CDIZCKIIUGEHOW-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM CC(C)(C)[S@](=O)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001603523843 1350715903 /nfs/dbraw/zinc/71/59/03/1350715903.db2.gz KMSKWUFMRCETQX-JOCHJYFZSA-N -1 0 328.390 2.181 20 5 EEBDRM C[C@@](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)(C(=O)[O-])c1ccccc1 ZINC001604307395 1350912561 /nfs/dbraw/zinc/91/25/61/1350912561.db2.gz GVODDRDRWBZZAS-INIZCTEOSA-N -1 0 347.302 2.046 20 5 EEBDRM C[C@](NC(=O)c1cncc(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604315736 1350914185 /nfs/dbraw/zinc/91/41/85/1350914185.db2.gz GTUKICSUGARIBY-OAHLLOKOSA-N -1 0 349.730 2.373 20 5 EEBDRM CCc1noc(CC)c1CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604586477 1350965106 /nfs/dbraw/zinc/96/51/06/1350965106.db2.gz MBRAZYYJMASIGT-UHFFFAOYSA-N -1 0 343.347 2.500 20 5 EEBDRM CO[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1(C)C ZINC001605032256 1351062705 /nfs/dbraw/zinc/06/27/05/1351062705.db2.gz MUQNOOFROYDFEL-CYBMUJFWSA-N -1 0 332.364 2.026 20 5 EEBDRM CC[C@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H](C)C(=O)[O-] ZINC001605116500 1351080662 /nfs/dbraw/zinc/08/06/62/1351080662.db2.gz OGJYNBGHDZFKEV-KWQFWETISA-N -1 0 339.300 2.022 20 5 EEBDRM CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C(C)(C)C(=O)[O-] ZINC001605400294 1351153958 /nfs/dbraw/zinc/15/39/58/1351153958.db2.gz ZPKIPJKMNWPWKM-UHFFFAOYSA-N -1 0 347.730 2.295 20 5 EEBDRM CCN(CCC(=O)[O-])c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC001605444379 1351159453 /nfs/dbraw/zinc/15/94/53/1351159453.db2.gz GUXRIRCPXNORGD-UHFFFAOYSA-N -1 0 330.724 2.336 20 5 EEBDRM CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])c(OC)c2)C(C(=O)[O-])=C1C ZINC001605465685 1351164407 /nfs/dbraw/zinc/16/44/07/1351164407.db2.gz DUCXIAWGDDLNJW-CYBMUJFWSA-N -1 0 335.316 2.048 20 5 EEBDRM CO[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@](C)(C(=O)[O-])C1 ZINC001606770763 1351354130 /nfs/dbraw/zinc/35/41/30/1351354130.db2.gz HZCIJLQAUBVBPH-RISCZKNCSA-N -1 0 328.752 2.312 20 5 EEBDRM COCc1ccc(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])o1 ZINC001606960142 1351385088 /nfs/dbraw/zinc/38/50/88/1351385088.db2.gz NLMNHEBQTAIPSY-UHFFFAOYSA-N -1 0 335.268 2.389 20 5 EEBDRM COc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc([N+](=O)[O-])c1C ZINC001607084916 1351411747 /nfs/dbraw/zinc/41/17/47/1351411747.db2.gz DGOGJGBQCLAFKL-OAHLLOKOSA-N -1 0 344.323 2.468 20 5 EEBDRM COc1cc(C(=O)O[C@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC001607147508 1351438017 /nfs/dbraw/zinc/43/80/17/1351438017.db2.gz STBSRGSWEZNZPA-ZCFIWIBFSA-N -1 0 349.242 2.225 20 5 EEBDRM COc1cccc(F)c1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607323471 1351474068 /nfs/dbraw/zinc/47/40/68/1351474068.db2.gz OISAAXTWWWLPPG-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](CO)c2ccccc2C)n1 ZINC001607588945 1351520628 /nfs/dbraw/zinc/52/06/28/1351520628.db2.gz IWPIIIAAGXLUFC-CYBMUJFWSA-N -1 0 331.328 2.450 20 5 EEBDRM Cc1cc(C(=O)[O-])oc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001607602840 1351522870 /nfs/dbraw/zinc/52/28/70/1351522870.db2.gz GMTDNYYPEVMVSP-UHFFFAOYSA-N -1 0 334.284 2.003 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N(CCc2ccccc2)CC(=O)[O-])n1 ZINC001607710467 1351544543 /nfs/dbraw/zinc/54/45/43/1351544543.db2.gz ZROFAWMNOMRMQT-UHFFFAOYSA-N -1 0 343.339 2.068 20 5 EEBDRM Cc1ccc(C[C@@H](C(=O)[O-])S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001607773041 1351555541 /nfs/dbraw/zinc/55/55/41/1351555541.db2.gz DEZLTZPGCJUGQO-HNNXBMFYSA-N -1 0 349.364 2.373 20 5 EEBDRM Cc1cncc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001607909260 1351584033 /nfs/dbraw/zinc/58/40/33/1351584033.db2.gz ICRRMMPZDBDWMG-MRXNPFEDSA-N -1 0 329.312 2.028 20 5 EEBDRM NC(=O)c1cc(NC[C@@H](C(=O)[O-])C2CCCCC2)ccc1[N+](=O)[O-] ZINC001608239002 1351654216 /nfs/dbraw/zinc/65/42/16/1351654216.db2.gz FDVOMWUKAALBIC-CYBMUJFWSA-N -1 0 335.360 2.387 20 5 EEBDRM O=C([O-])c1ccc(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC001608362774 1351678944 /nfs/dbraw/zinc/67/89/44/1351678944.db2.gz QVGQYYVXMSDNCP-UHFFFAOYSA-N -1 0 349.730 2.200 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccnc1 ZINC001608388080 1351683912 /nfs/dbraw/zinc/68/39/12/1351683912.db2.gz HRBVPBZMIBOSFK-CQSZACIVSA-N -1 0 340.295 2.027 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1 ZINC001608389734 1351684812 /nfs/dbraw/zinc/68/48/12/1351684812.db2.gz ZRUJYFILJPGDTB-LBPRGKRZSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C(CC1=CCCCC1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000106985710 1369068879 /nfs/dbraw/zinc/06/88/79/1369068879.db2.gz OYOJRQYJOORTSI-UHFFFAOYSA-N -1 0 342.348 2.429 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C)cc([N+](=O)[O-])c1 ZINC000798899636 1371619544 /nfs/dbraw/zinc/61/95/44/1371619544.db2.gz BXQUDSQUULJOGG-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM CNC(=O)[C@@H]1CCC[C@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001606261972 1404777598 /nfs/dbraw/zinc/77/75/98/1404777598.db2.gz ICWWKJMFOLEQDJ-RQDOONKYSA-N -1 0 333.344 2.019 20 5 EEBDRM COc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000780393241 780991742 /nfs/dbraw/zinc/99/17/42/780991742.db2.gz WXBFGJIHONZLRC-UHFFFAOYSA-N -1 0 347.283 2.147 20 5 EEBDRM COc1ccc2c(=O)[nH]n(C(=O)c3ccc([N+](=O)[O-])cc3[O-])c2c1 ZINC000819954829 785739272 /nfs/dbraw/zinc/73/92/72/785739272.db2.gz FZLDHHWIXOVUOI-UHFFFAOYSA-N -1 0 329.268 2.053 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1 ZINC000916108291 797502775 /nfs/dbraw/zinc/50/27/75/797502775.db2.gz PMXONIFRDHQYDF-UHFFFAOYSA-N -1 0 338.301 2.007 20 5 EEBDRM Nc1cc2nc3ccccc3n(-c3cncc(C(=O)[O-])c3)c-2cc1=O ZINC001175843665 798245423 /nfs/dbraw/zinc/24/54/23/798245423.db2.gz XDRLZDCAWLOYHY-UHFFFAOYSA-N -1 0 332.319 2.166 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000540704349 939293253 /nfs/dbraw/zinc/29/32/53/939293253.db2.gz YFXAFQFHBUMVSE-VFZGTOFNSA-N -1 0 338.385 2.445 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 ZINC000581465992 939778007 /nfs/dbraw/zinc/77/80/07/939778007.db2.gz HFJBGRCVWAMSMR-ZDUSSCGKSA-N -1 0 331.284 2.248 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)nc1 ZINC001595221992 949260550 /nfs/dbraw/zinc/26/05/50/949260550.db2.gz JWGZILWMCHRFCF-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001589310678 953791707 /nfs/dbraw/zinc/79/17/07/953791707.db2.gz WGTYVZXZANUGHN-BQBZGAKWSA-N -1 0 336.270 2.037 20 5 EEBDRM CN(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001593683502 953977283 /nfs/dbraw/zinc/97/72/83/953977283.db2.gz IIOBPXSWZUPWMF-UHFFFAOYSA-N -1 0 330.296 2.335 20 5 EEBDRM C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001589375982 954255336 /nfs/dbraw/zinc/25/53/36/954255336.db2.gz QEVCIXSYJUMLFH-GWCFXTLKSA-N -1 0 338.335 2.236 20 5 EEBDRM O=C([O-])C1CC2(C1)CC[C@@H](CNc1nc3ccccn3c1[N+](=O)[O-])O2 ZINC001594906844 954683715 /nfs/dbraw/zinc/68/37/15/954683715.db2.gz DGDZDQICUYMWKW-CSJGVYOVSA-N -1 0 346.343 2.067 20 5 EEBDRM O=C([O-])[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)Cc2ccccc21 ZINC001594954400 954973071 /nfs/dbraw/zinc/97/30/71/954973071.db2.gz AKGHQVGWNGEZMD-CYBMUJFWSA-N -1 0 346.314 2.415 20 5 EEBDRM COC(=O)c1cnc(NCc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593893688 955804544 /nfs/dbraw/zinc/80/45/44/955804544.db2.gz ZHSGMGUKKNKXOG-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM C[C@H](CN(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(=O)[O-] ZINC001603151786 972251305 /nfs/dbraw/zinc/25/13/05/972251305.db2.gz GUHFFROVJFFJNF-SECBINFHSA-N -1 0 332.316 2.327 20 5 EEBDRM Cc1cc(COC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001594306526 957973108 /nfs/dbraw/zinc/97/31/08/957973108.db2.gz LSSUVMLGEXHCAK-QWHCGFSZSA-N -1 0 337.328 2.216 20 5 EEBDRM Cc1cncc([N+](=O)[O-])c1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594433529 959198136 /nfs/dbraw/zinc/19/81/36/959198136.db2.gz LPKYRXUXHWAVFW-UHFFFAOYSA-N -1 0 344.327 2.381 20 5 EEBDRM CC(C)(C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)[O-] ZINC001588647005 959743849 /nfs/dbraw/zinc/74/38/49/959743849.db2.gz APGMRKVZNXAYJM-LLVKDONJSA-N -1 0 341.339 2.325 20 5 EEBDRM C[C@H](OC(=O)CCC(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001603270831 972478501 /nfs/dbraw/zinc/47/85/01/972478501.db2.gz CDGWSKZUBXGXGH-QMMMGPOBSA-N -1 0 335.272 2.114 20 5 EEBDRM CC(C)(CCC(=O)Nc1sc2c(c1C(=O)[O-])COCC2)[N+](=O)[O-] ZINC001588757367 961226085 /nfs/dbraw/zinc/22/60/85/961226085.db2.gz AWEURYVPZZMDOQ-UHFFFAOYSA-N -1 0 342.373 2.293 20 5 EEBDRM O=C([O-])c1ccsc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001574539461 961939879 /nfs/dbraw/zinc/93/98/79/961939879.db2.gz CMFOAIGUILCJKP-UHFFFAOYSA-N -1 0 346.324 2.343 20 5 EEBDRM CC(C)(C)OC(=O)NCCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000303715869 963109167 /nfs/dbraw/zinc/10/91/67/963109167.db2.gz LFJRJZSYXMBWHP-UHFFFAOYSA-N -1 0 340.336 2.015 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001603360743 972828956 /nfs/dbraw/zinc/82/89/56/972828956.db2.gz XZFKYLBWIATCCA-DGCLKSJQSA-N -1 0 348.355 2.127 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CCOCC1 ZINC001606081274 973239828 /nfs/dbraw/zinc/23/98/28/973239828.db2.gz HYAHUQLLWBVGSZ-UHFFFAOYSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001606464584 973920192 /nfs/dbraw/zinc/92/01/92/973920192.db2.gz DKUCXXNDBVSHGQ-LLVKDONJSA-N -1 0 344.327 2.036 20 5 EEBDRM CC(C)O[C@]1(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCOC1 ZINC001591695281 975518839 /nfs/dbraw/zinc/51/88/39/975518839.db2.gz HSCLZVIYZMOKCO-OAHLLOKOSA-N -1 0 325.317 2.256 20 5 EEBDRM CC(C)Oc1cccc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c1 ZINC001591796717 976011126 /nfs/dbraw/zinc/01/11/26/976011126.db2.gz QEMFWQKKIDCBSC-UHFFFAOYSA-N -1 0 332.312 2.290 20 5 EEBDRM CC(C)c1nnc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)o1 ZINC001592075569 976824647 /nfs/dbraw/zinc/82/46/47/976824647.db2.gz HBKMMZPRLXLDJO-UHFFFAOYSA-N -1 0 336.304 2.177 20 5 EEBDRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001592205424 977238346 /nfs/dbraw/zinc/23/83/46/977238346.db2.gz PAVFFSXRSYAZGK-KVFVURRZSA-N -1 0 332.234 2.373 20 5 EEBDRM CCN(CCSC)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001596347127 983797209 /nfs/dbraw/zinc/79/72/09/983797209.db2.gz DQSBLTFHGMEGPM-UHFFFAOYSA-N -1 0 329.334 2.391 20 5 EEBDRM Cc1c(C(=O)NCCc2ncc(C(=O)[O-])s2)cccc1[N+](=O)[O-] ZINC001599980449 986155272 /nfs/dbraw/zinc/15/52/72/986155272.db2.gz MVIJAHPXBIHOBI-UHFFFAOYSA-N -1 0 335.341 2.030 20 5 EEBDRM CCOc1cc(C(=O)OC2CC(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC001597028974 986440767 /nfs/dbraw/zinc/44/07/67/986440767.db2.gz SSKPQTKXBCJEJG-UHFFFAOYSA-N -1 0 339.300 2.022 20 5 EEBDRM CC(C)CN(CC(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001591314714 992282710 /nfs/dbraw/zinc/28/27/10/992282710.db2.gz ZZBGYSXKZKCBBR-UHFFFAOYSA-N -1 0 337.376 2.267 20 5 EEBDRM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccsc1[N+](=O)[O-] ZINC001598545815 992943821 /nfs/dbraw/zinc/94/38/21/992943821.db2.gz UVTOEQDLEVJNFM-UHFFFAOYSA-N -1 0 342.354 2.180 20 5 EEBDRM COc1ccc(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599593965 993725161 /nfs/dbraw/zinc/72/51/61/993725161.db2.gz IQFBGNAJZWJFPV-GXSJLCMTSA-N -1 0 337.332 2.368 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171697 994033865 /nfs/dbraw/zinc/03/38/65/994033865.db2.gz YMYGIJVIMXTINA-GWCFXTLKSA-N -1 0 347.371 2.034 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C(=O)[O-])C1CC1 ZINC001593619826 995864701 /nfs/dbraw/zinc/86/47/01/995864701.db2.gz QCCLAWUWRCNLPN-MADCSZMMSA-N -1 0 343.719 2.422 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001593766025 996444370 /nfs/dbraw/zinc/44/43/70/996444370.db2.gz FFNKXSKJASNWNJ-OAHLLOKOSA-N -1 0 342.298 2.129 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001599186607 997036786 /nfs/dbraw/zinc/03/67/86/997036786.db2.gz FWHKYMJILJHYML-UXHZXRBQSA-N -1 0 348.355 2.090 20 5 EEBDRM CO[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)[C@H]1CCOC1 ZINC001599055787 999228476 /nfs/dbraw/zinc/22/84/76/999228476.db2.gz QPJUXAULMJKLQI-GZMMTYOYSA-N -1 0 344.751 2.410 20 5 EEBDRM C[C@H]1CCC[C@@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594352626 999335328 /nfs/dbraw/zinc/33/53/28/999335328.db2.gz KBGGXSPZZGWAHO-CMPLNLGQSA-N -1 0 335.360 2.400 20 5 EEBDRM CCOc1ncccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000055636172 214335803 /nfs/dbraw/zinc/33/58/03/214335803.db2.gz LHJMXKJWFBBKQE-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000073434972 216386112 /nfs/dbraw/zinc/38/61/12/216386112.db2.gz KUTSUHVBZXUEHA-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM O=C(Nc1c[nH]nc1-c1nccs1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000446605714 242204026 /nfs/dbraw/zinc/20/40/26/242204026.db2.gz RPUNYZWBPBEWFZ-UHFFFAOYSA-N -1 0 331.313 2.399 20 5 EEBDRM O=C(NCc1ccc(OC(F)F)cn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000446789675 242220080 /nfs/dbraw/zinc/22/00/80/242220080.db2.gz IILGSARJAOBSTF-UHFFFAOYSA-N -1 0 339.254 2.227 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236603683 242294027 /nfs/dbraw/zinc/29/40/27/242294027.db2.gz ARQRRWLVLOVYEM-CYBMUJFWSA-N -1 0 349.387 2.424 20 5 EEBDRM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000452069257 243344168 /nfs/dbraw/zinc/34/41/68/243344168.db2.gz PWVMPOIBKNHSSS-DGCLKSJQSA-N -1 0 346.380 2.360 20 5 EEBDRM C[C@@]1(NC(=O)COc2ccccc2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-] ZINC000262715821 245140736 /nfs/dbraw/zinc/14/07/36/245140736.db2.gz DOCOQAXCXOKLQJ-MEDUHNTESA-N -1 0 336.344 2.123 20 5 EEBDRM COC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000080788092 217332675 /nfs/dbraw/zinc/33/26/75/217332675.db2.gz LKALEVVJEXEZMX-NSHDSACASA-N -1 0 340.357 2.162 20 5 EEBDRM O=C(c1ccc(F)cc1[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000178996416 284659853 /nfs/dbraw/zinc/65/98/53/284659853.db2.gz ZKZXSKNUFXRZMW-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000190848488 256002755 /nfs/dbraw/zinc/00/27/55/256002755.db2.gz ASKCKUVWLSCPAJ-MEBBXXQBSA-N -1 0 343.339 2.490 20 5 EEBDRM O=C(NC[C@H]1COC2(CCCCC2)O1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273456718 256297892 /nfs/dbraw/zinc/29/78/92/256297892.db2.gz DMYJRBUFKIFMOM-LBPRGKRZSA-N -1 0 336.344 2.106 20 5 EEBDRM CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120566160 292255408 /nfs/dbraw/zinc/25/54/08/292255408.db2.gz UFDJNTVTBNROJJ-VOTSOKGWSA-N -1 0 330.337 2.141 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(=O)[O-] ZINC000262532350 152288983 /nfs/dbraw/zinc/28/89/83/152288983.db2.gz PUMTUTCGMSDJRJ-PSASIEDQSA-N -1 0 326.736 2.431 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000262696826 152308731 /nfs/dbraw/zinc/30/87/31/152308731.db2.gz BGPNLSXCIBNFMU-YMTOWFKASA-N -1 0 342.348 2.101 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000262833537 152325435 /nfs/dbraw/zinc/32/54/35/152325435.db2.gz GBTHZOMNBZLXNZ-JIMOISOXSA-N -1 0 338.385 2.445 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000262968229 152348071 /nfs/dbraw/zinc/34/80/71/152348071.db2.gz AUGRQRLWQQBZCG-MRXNPFEDSA-N -1 0 335.360 2.034 20 5 EEBDRM O=C([O-])CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000085101178 159169204 /nfs/dbraw/zinc/16/92/04/159169204.db2.gz XGMLSINLLCETAG-UHFFFAOYSA-N -1 0 336.085 2.086 20 5 EEBDRM Cc1nn(C)c2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc12 ZINC000089531668 159183106 /nfs/dbraw/zinc/18/31/06/159183106.db2.gz RPACKIKJOFLXTL-UHFFFAOYSA-N -1 0 327.300 2.143 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cn[nH]c2)c(C(F)(F)F)c1 ZINC000090230884 159194419 /nfs/dbraw/zinc/19/44/19/159194419.db2.gz UFCOPQBLNDCIFT-UHFFFAOYSA-N -1 0 336.251 2.138 20 5 EEBDRM O=C([O-])c1ccc(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000238080651 160228035 /nfs/dbraw/zinc/22/80/35/160228035.db2.gz AOFRPRJQSKPXEW-UHFFFAOYSA-N -1 0 328.324 2.194 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)o1 ZINC000347437079 161452151 /nfs/dbraw/zinc/45/21/51/161452151.db2.gz XQTFRNRNNGLVAI-UHFFFAOYSA-N -1 0 329.268 2.297 20 5 EEBDRM CCCCN(CC)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000355471442 163201478 /nfs/dbraw/zinc/20/14/78/163201478.db2.gz LRPXEPZCDQUNHA-UHFFFAOYSA-N -1 0 344.389 2.412 20 5 EEBDRM O=C(Nc1ccc(-n2cccn2)nc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355484517 163206150 /nfs/dbraw/zinc/20/61/50/163206150.db2.gz JHECSVWODDQIGX-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1cccc(NC(=O)NCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000356298246 163396677 /nfs/dbraw/zinc/39/66/77/163396677.db2.gz SOPANTPFZPFMBR-UHFFFAOYSA-N -1 0 344.327 2.369 20 5 EEBDRM COc1ccc2c(c1)OC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000368326037 166088522 /nfs/dbraw/zinc/08/85/22/166088522.db2.gz DLVKKMFYURUHHE-GFCCVEGCSA-N -1 0 344.323 2.043 20 5 EEBDRM CC(C)(C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC000274971595 269080594 /nfs/dbraw/zinc/08/05/94/269080594.db2.gz KKZNBTFEPJGNES-SNVBAGLBSA-N -1 0 344.389 2.010 20 5 EEBDRM O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000280016933 269322156 /nfs/dbraw/zinc/32/21/56/269322156.db2.gz NBAWIUSYRIROQE-SNVBAGLBSA-N -1 0 332.316 2.170 20 5 EEBDRM Cc1ccc2[nH]c(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)nc2c1 ZINC000182953975 274013730 /nfs/dbraw/zinc/01/37/30/274013730.db2.gz DLLTVYSGJWWGJT-UHFFFAOYSA-N -1 0 326.312 2.415 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000288356676 275049922 /nfs/dbraw/zinc/04/99/22/275049922.db2.gz JIBQWBXCIVRIRK-RXMQYKEDSA-N -1 0 332.687 2.477 20 5 EEBDRM O=c1ccccn1CCCc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000350649227 312336118 /nfs/dbraw/zinc/33/61/18/312336118.db2.gz BMWQHJQMCBMUET-UHFFFAOYSA-N -1 0 342.311 2.145 20 5 EEBDRM O=C1CCOc2c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cccc21 ZINC000371599913 312429756 /nfs/dbraw/zinc/42/97/56/312429756.db2.gz ZGCURNFLFFKCOG-UHFFFAOYSA-N -1 0 348.336 2.361 20 5 EEBDRM O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432460379 314705073 /nfs/dbraw/zinc/70/50/73/314705073.db2.gz MGLJBZAYKILKGO-UHFFFAOYSA-N -1 0 343.274 2.273 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000439713859 315092629 /nfs/dbraw/zinc/09/26/29/315092629.db2.gz AZCWDOREDFJANE-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM CN1C[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000444537664 315306121 /nfs/dbraw/zinc/30/61/21/315306121.db2.gz AUJSDKQWPVKHLQ-GFCCVEGCSA-N -1 0 341.367 2.339 20 5 EEBDRM C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])Cn1cccn1 ZINC000516653138 316581571 /nfs/dbraw/zinc/58/15/71/316581571.db2.gz VRSGRUSVULUGRW-SECBINFHSA-N -1 0 338.751 2.216 20 5 EEBDRM C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000517028510 316632106 /nfs/dbraw/zinc/63/21/06/316632106.db2.gz GJTOMQBYMAELAJ-CABZTGNLSA-N -1 0 342.373 2.150 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000540932733 318085026 /nfs/dbraw/zinc/08/50/26/318085026.db2.gz FJLSBQFLQWQBFV-LBPRGKRZSA-N -1 0 348.277 2.076 20 5 EEBDRM Cc1cc(C([O-])=CS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)n1C ZINC000548983592 318424369 /nfs/dbraw/zinc/42/43/69/318424369.db2.gz NBALJLMXLSRDMN-UHFFFAOYSA-N -1 0 336.369 2.207 20 5 EEBDRM O=C([O-])c1cc(N2CCC(c3ccncn3)CC2)ccc1[N+](=O)[O-] ZINC000563207320 318984241 /nfs/dbraw/zinc/98/42/41/318984241.db2.gz QHCZABKCBFBDJK-UHFFFAOYSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000563887882 319052290 /nfs/dbraw/zinc/05/22/90/319052290.db2.gz DGNSQYAVCIOUIE-IAQYHMDHSA-N -1 0 348.355 2.324 20 5 EEBDRM O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000564801124 319111482 /nfs/dbraw/zinc/11/14/82/319111482.db2.gz BYOXIGFPNVYJCQ-QGZVFWFLSA-N -1 0 342.351 2.485 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2[C@H]2CCC[C@H]2O)n1 ZINC000565423527 319181599 /nfs/dbraw/zinc/18/15/99/319181599.db2.gz KQGMLRUULKGRIX-RAIGVLPGSA-N -1 0 335.360 2.126 20 5 EEBDRM COCCO[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000566976687 319337658 /nfs/dbraw/zinc/33/76/58/319337658.db2.gz STZSHUFXHNMZCB-LBPRGKRZSA-N -1 0 338.360 2.233 20 5 EEBDRM COC1(C(F)(F)F)CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000567739321 319413689 /nfs/dbraw/zinc/41/36/89/319413689.db2.gz JQRUUTOGFAUBBK-UHFFFAOYSA-N -1 0 349.265 2.236 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000567940884 319436404 /nfs/dbraw/zinc/43/64/04/319436404.db2.gz HBGUGWDPMSVOAL-LLVKDONJSA-N -1 0 345.359 2.280 20 5 EEBDRM CS(=O)(=O)[C@H]1CCC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000569247809 319560128 /nfs/dbraw/zinc/56/01/28/319560128.db2.gz CPQMZUBEHMWJQA-QWRGUYRKSA-N -1 0 342.373 2.061 20 5 EEBDRM CC[C@@H](C)N(CC(=O)OC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000570453136 319667228 /nfs/dbraw/zinc/66/72/28/319667228.db2.gz NTUTYNFCJKAOOR-MRVPVSSYSA-N -1 0 344.751 2.368 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(O)cc1 ZINC000571360480 319747621 /nfs/dbraw/zinc/74/76/21/319747621.db2.gz TWPYJXWVQQPHEC-ZDUSSCGKSA-N -1 0 349.274 2.387 20 5 EEBDRM Cc1nn(C)c(C)c1C[C@H](C)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000574328960 320015768 /nfs/dbraw/zinc/01/57/68/320015768.db2.gz VAKURJAKJJXRDU-QMMMGPOBSA-N -1 0 333.348 2.081 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000575200497 320095668 /nfs/dbraw/zinc/09/56/68/320095668.db2.gz WSBWQAAKTAAASC-CYBMUJFWSA-N -1 0 349.368 2.324 20 5 EEBDRM CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000576639763 320190917 /nfs/dbraw/zinc/19/09/17/320190917.db2.gz ACPZLZWDOQNIDK-GFCCVEGCSA-N -1 0 342.373 2.102 20 5 EEBDRM C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C(C)(C)C1 ZINC000380378578 323522513 /nfs/dbraw/zinc/52/25/13/323522513.db2.gz LONWOTYTSUJPNB-VIFPVBQESA-N -1 0 342.373 2.102 20 5 EEBDRM Cc1cc(N2CCO[C@H](C(=O)[O-])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580292007 324031368 /nfs/dbraw/zinc/03/13/68/324031368.db2.gz GIRAMRUQHLINOJ-NSHDSACASA-N -1 0 334.250 2.212 20 5 EEBDRM CC(C)CN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000581546653 324276727 /nfs/dbraw/zinc/27/67/27/324276727.db2.gz ZNPFRWHWOCJKBM-UHFFFAOYSA-N -1 0 344.389 2.348 20 5 EEBDRM CC(C)(CO)[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000581893994 324338067 /nfs/dbraw/zinc/33/80/67/324338067.db2.gz GNMRTVWXDAPODZ-CYBMUJFWSA-N -1 0 342.779 2.481 20 5 EEBDRM CN(C1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000582543667 324475480 /nfs/dbraw/zinc/47/54/80/324475480.db2.gz GBNWGGQOAKQTOG-UHFFFAOYSA-N -1 0 342.373 2.246 20 5 EEBDRM COc1coc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1=O ZINC000336970722 465127178 /nfs/dbraw/zinc/12/71/78/465127178.db2.gz CMJRIZLGWHXSEY-UHFFFAOYSA-N -1 0 340.675 2.168 20 5 EEBDRM CCOC(=O)C(C)(C)ONC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000296444141 465198048 /nfs/dbraw/zinc/19/80/48/465198048.db2.gz XSVROPNGZDENRF-UHFFFAOYSA-N -1 0 325.321 2.298 20 5 EEBDRM Cc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000065750391 462824563 /nfs/dbraw/zinc/82/45/63/462824563.db2.gz KIQVYTNNKGSHIQ-UHFFFAOYSA-N -1 0 331.737 2.023 20 5 EEBDRM Cc1cc(-n2cncn2)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000135341454 463145475 /nfs/dbraw/zinc/14/54/75/463145475.db2.gz CSTLDMFBVVADFC-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)Nc1ccccc1 ZINC000157888364 463182439 /nfs/dbraw/zinc/18/24/39/463182439.db2.gz MCHYKNAAQDKRKG-SNVBAGLBSA-N -1 0 329.312 2.057 20 5 EEBDRM O=C(Nc1ccccc1Cn1cncn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000136561438 463245885 /nfs/dbraw/zinc/24/58/85/463245885.db2.gz HUPJHHXFGUXESC-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(c2cccs2)CC1 ZINC000137804133 463300393 /nfs/dbraw/zinc/30/03/93/463300393.db2.gz OQTDLKNTCBJVPQ-UHFFFAOYSA-N -1 0 333.369 2.324 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(Cn2cccn2)CC1 ZINC000097097463 463323055 /nfs/dbraw/zinc/32/30/55/463323055.db2.gz HKBLYZTUSZAPRC-UHFFFAOYSA-N -1 0 330.344 2.049 20 5 EEBDRM O=C(Nc1ccn(CC(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097163944 463339917 /nfs/dbraw/zinc/33/99/17/463339917.db2.gz MCAQTDQCAYGHML-UHFFFAOYSA-N -1 0 330.222 2.312 20 5 EEBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1n1ccnc1 ZINC000125583161 463558824 /nfs/dbraw/zinc/55/88/24/463558824.db2.gz OPCGDGNABAKTPL-SMDDNHRTSA-N -1 0 330.344 2.220 20 5 EEBDRM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1cccs1 ZINC000255906396 463753982 /nfs/dbraw/zinc/75/39/82/463753982.db2.gz PMNHPZBUJXHYRE-SREVYHEPSA-N -1 0 338.366 2.175 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)n1 ZINC000178027817 463831038 /nfs/dbraw/zinc/83/10/38/463831038.db2.gz KANNTVXZSOBPTI-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000178200438 463860858 /nfs/dbraw/zinc/86/08/58/463860858.db2.gz WWKGDHQMGCTCHQ-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc2c1CCCC2 ZINC000185724674 463869019 /nfs/dbraw/zinc/86/90/19/463869019.db2.gz BRVKIALBGGRPLX-UHFFFAOYSA-N -1 0 348.384 2.373 20 5 EEBDRM O=C([O-])c1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000178668561 463938768 /nfs/dbraw/zinc/93/87/68/463938768.db2.gz KHKOOFKBJJZZLU-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM CC(C)C[C@H]1COCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262399133 464018814 /nfs/dbraw/zinc/01/88/14/464018814.db2.gz LZUKGBIYCRAYEA-AWEZNQCLSA-N -1 0 336.344 2.180 20 5 EEBDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000263209947 464063207 /nfs/dbraw/zinc/06/32/07/464063207.db2.gz LIUMLYMQXGYSTM-SNVBAGLBSA-N -1 0 332.316 2.008 20 5 EEBDRM CC(C)c1ccc(C(=O)N2CCc3nc[nH]c(=O)c3C2)cc1[N+](=O)[O-] ZINC000188065638 464191179 /nfs/dbraw/zinc/19/11/79/464191179.db2.gz BWJDLVXNOLTBLL-UHFFFAOYSA-N -1 0 342.355 2.000 20 5 EEBDRM Cc1csc([C@H]2COCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000189029204 464417806 /nfs/dbraw/zinc/41/78/06/464417806.db2.gz DBLNQPAFTDSWEO-GFCCVEGCSA-N -1 0 349.368 2.279 20 5 EEBDRM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000245756275 464513159 /nfs/dbraw/zinc/51/31/59/464513159.db2.gz YTBHTLKWMHPGAF-NILFDRSVSA-N -1 0 332.356 2.378 20 5 EEBDRM Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cnn1C1CCOCC1 ZINC000295388000 464812794 /nfs/dbraw/zinc/81/27/94/464812794.db2.gz LFPHSLPJWHYMCW-UHFFFAOYSA-N -1 0 346.343 2.409 20 5 EEBDRM O=C(CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)OC1CCCCC1 ZINC000282570312 464870472 /nfs/dbraw/zinc/87/04/72/464870472.db2.gz VAVXYZVSRYIYPZ-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM CC(C)CC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000184704037 465020366 /nfs/dbraw/zinc/02/03/66/465020366.db2.gz SZZSJJSBIXPRAK-UHFFFAOYSA-N -1 0 349.387 2.067 20 5 EEBDRM Cc1cc(NCCCCC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591326954 468448246 /nfs/dbraw/zinc/44/82/46/468448246.db2.gz QKMKTSTUHJCYGX-UHFFFAOYSA-N -1 0 330.344 2.449 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cnn(C(F)F)c2)s1 ZINC000361668422 466190132 /nfs/dbraw/zinc/19/01/32/466190132.db2.gz WDQKMCPRSMWXIF-UHFFFAOYSA-N -1 0 338.317 2.395 20 5 EEBDRM O=C(NCc1ccco1)[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338994294 466554130 /nfs/dbraw/zinc/55/41/30/466554130.db2.gz GFOOTAGTJVTPNO-MRXNPFEDSA-N -1 0 345.355 2.174 20 5 EEBDRM Nc1c(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cccc1[N+](=O)[O-] ZINC000347400372 466611880 /nfs/dbraw/zinc/61/18/80/466611880.db2.gz HRPIGNKURBZVSY-UHFFFAOYSA-N -1 0 341.323 2.074 20 5 EEBDRM CCC(CC)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000321548019 466623984 /nfs/dbraw/zinc/62/39/84/466623984.db2.gz JADKTXRWATYUIE-UHFFFAOYSA-N -1 0 344.389 2.073 20 5 EEBDRM Cc1ccccc1CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000321732353 466624577 /nfs/dbraw/zinc/62/45/77/466624577.db2.gz SXVAOHRPFMDFIL-UHFFFAOYSA-N -1 0 336.369 2.130 20 5 EEBDRM O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000365928824 466992743 /nfs/dbraw/zinc/99/27/43/466992743.db2.gz PSQAMNYSAIMCPT-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM COC(=O)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436673376 467550017 /nfs/dbraw/zinc/55/00/17/467550017.db2.gz JNTNIDYVCUMPGX-UHFFFAOYSA-N -1 0 344.323 2.359 20 5 EEBDRM O=C(NCCc1ccc2c[nH]nc2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436709149 467551592 /nfs/dbraw/zinc/55/15/92/467551592.db2.gz MAXPSLRLOPXUST-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C\c2ccc[nH]2)cc([N+](=O)[O-])c1C ZINC000492822927 467763919 /nfs/dbraw/zinc/76/39/19/467763919.db2.gz LQSJWKOJISRIQW-WAYWQWQTSA-N -1 0 349.368 2.058 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])o1 ZINC000492928047 467798311 /nfs/dbraw/zinc/79/83/11/467798311.db2.gz XBKLABIEWSLRAH-KXFIGUGUSA-N -1 0 334.259 2.355 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493086616 467837992 /nfs/dbraw/zinc/83/79/92/467837992.db2.gz ACVQQXUEOQZNBY-FLPUTOKSSA-N -1 0 336.319 2.459 20 5 EEBDRM CNc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000516799865 468047708 /nfs/dbraw/zinc/04/77/08/468047708.db2.gz JLVONUKUTCBSDZ-LLVKDONJSA-N -1 0 335.360 2.354 20 5 EEBDRM CCOc1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000533190109 468178947 /nfs/dbraw/zinc/17/89/47/468178947.db2.gz ZVAVRQNBQJDEOE-NSHDSACASA-N -1 0 336.344 2.320 20 5 EEBDRM CC(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000594467517 468597313 /nfs/dbraw/zinc/59/73/13/468597313.db2.gz MIHVDHBHKMQRGY-LLVKDONJSA-N -1 0 328.752 2.264 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000592138915 468633955 /nfs/dbraw/zinc/63/39/55/468633955.db2.gz QKXQAENDAYVGHJ-SECBINFHSA-N -1 0 342.373 2.068 20 5 EEBDRM C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C1CCCC1 ZINC000592140779 468635868 /nfs/dbraw/zinc/63/58/68/468635868.db2.gz YBSIDPYXJBWHRW-VIFPVBQESA-N -1 0 342.373 2.150 20 5 EEBDRM O=C([O-])C1(CNc2nccc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000592419024 468693751 /nfs/dbraw/zinc/69/37/51/468693751.db2.gz IPSVAXAVQPPWCA-UHFFFAOYSA-N -1 0 331.328 2.436 20 5 EEBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](C)C(=O)OC(C)(C)C ZINC000597873081 468701098 /nfs/dbraw/zinc/70/10/98/468701098.db2.gz HTSYYARBGSJFSR-JTQLQIEISA-N -1 0 338.360 2.493 20 5 EEBDRM O=C([O-])c1cnc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000583696008 468742191 /nfs/dbraw/zinc/74/21/91/468742191.db2.gz AZUVPIXPHAOWJA-YGRLFVJLSA-N -1 0 339.373 2.155 20 5 EEBDRM Cc1cc(N2CCC(c3nncn3C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969330 468831063 /nfs/dbraw/zinc/83/10/63/468831063.db2.gz ZWNPAVNARYPFOB-UHFFFAOYSA-N -1 0 345.359 2.114 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@@H](C3CCCCC3)C2)n1 ZINC000592977186 468833050 /nfs/dbraw/zinc/83/30/50/468833050.db2.gz NWDUEPRGPDHRJD-CQSZACIVSA-N -1 0 335.360 2.474 20 5 EEBDRM COc1ccc(CC(=O)N(CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC000598658867 468948741 /nfs/dbraw/zinc/94/87/41/468948741.db2.gz NSBPVYOXKGQPRQ-UHFFFAOYSA-N -1 0 336.344 2.002 20 5 EEBDRM CC(C)C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CC(=O)[O-] ZINC000593701485 469101029 /nfs/dbraw/zinc/10/10/29/469101029.db2.gz VNUROJJCPPCQJC-VIFPVBQESA-N -1 0 341.339 2.183 20 5 EEBDRM Cc1[nH]nc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000611223592 469198207 /nfs/dbraw/zinc/19/82/07/469198207.db2.gz PYDOMUMHXXVJFF-CQSZACIVSA-N -1 0 334.357 2.220 20 5 EEBDRM O=C([O-])c1csc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000563278325 469219991 /nfs/dbraw/zinc/21/99/91/469219991.db2.gz HWRZWAKDAVRDHF-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM O=C(Nc1ccc(F)c(-c2nnc[nH]2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000619253217 469559535 /nfs/dbraw/zinc/55/95/35/469559535.db2.gz QDZHGSPLXBDKTI-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182081877 490692285 /nfs/dbraw/zinc/69/22/85/490692285.db2.gz SIHVEWMUEFWAGP-XMMPIXPASA-N -1 0 348.380 2.310 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000738068363 577998298 /nfs/dbraw/zinc/99/82/98/577998298.db2.gz IBUVQZIORMRFMO-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM COc1cc(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000738077082 577998572 /nfs/dbraw/zinc/99/85/72/577998572.db2.gz JRMMBQYLWNBUCK-HNNXBMFYSA-N -1 0 345.307 2.456 20 5 EEBDRM Cc1c(C(=O)Nc2nnc(CCC(=O)[O-])s2)cccc1[N+](=O)[O-] ZINC000738276338 578007474 /nfs/dbraw/zinc/00/74/74/578007474.db2.gz SOUUGMMWWBQWRR-UHFFFAOYSA-N -1 0 336.329 2.024 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000732907075 577196887 /nfs/dbraw/zinc/19/68/87/577196887.db2.gz QPBFUDNEZOIHQG-JTQLQIEISA-N -1 0 328.390 2.399 20 5 EEBDRM CC(C)Cc1nnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000775113145 577430080 /nfs/dbraw/zinc/43/00/80/577430080.db2.gz SUJNEHSYUHBFQN-UHFFFAOYSA-N -1 0 332.363 2.039 20 5 EEBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000767020093 577529031 /nfs/dbraw/zinc/52/90/31/577529031.db2.gz VUAAGOHJKQKWMS-CQSZACIVSA-N -1 0 329.312 2.075 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000761645759 577687084 /nfs/dbraw/zinc/68/70/84/577687084.db2.gz ZOANDPYCQHMQKO-LBPRGKRZSA-N -1 0 326.736 2.160 20 5 EEBDRM CC(C)Cc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000761841150 577689959 /nfs/dbraw/zinc/68/99/59/577689959.db2.gz FECRALJWYNIMRJ-UHFFFAOYSA-N -1 0 342.352 2.456 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000762732373 577706720 /nfs/dbraw/zinc/70/67/20/577706720.db2.gz SLNSYUDFVGIFFH-LLVKDONJSA-N -1 0 342.417 2.266 20 5 EEBDRM O=C(C=C1CCCC1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000762730652 577706732 /nfs/dbraw/zinc/70/67/32/577706732.db2.gz GILKBJZBDRVLTP-UHFFFAOYSA-N -1 0 338.385 2.084 20 5 EEBDRM O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755657701 577828769 /nfs/dbraw/zinc/82/87/69/577828769.db2.gz SDIRUFOCRZHQAC-JIMOISOXSA-N -1 0 340.426 2.410 20 5 EEBDRM O=C([O-])c1ccnc(NCCN2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000738691863 578023925 /nfs/dbraw/zinc/02/39/25/578023925.db2.gz FKRYKFLTZFPFHK-UHFFFAOYSA-N -1 0 328.328 2.116 20 5 EEBDRM O=C([O-])c1ccnc(NCCOc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000738693826 578023988 /nfs/dbraw/zinc/02/39/88/578023988.db2.gz PASVKZTVNZGLPB-UHFFFAOYSA-N -1 0 339.254 2.457 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738746880 578025581 /nfs/dbraw/zinc/02/55/81/578025581.db2.gz NFZSQPFMQCXXBA-LBPRGKRZSA-N -1 0 347.371 2.028 20 5 EEBDRM Cc1nc2n(n1)C[C@@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000738882572 578029868 /nfs/dbraw/zinc/02/98/68/578029868.db2.gz ZXNKBZGXGWMBEP-MIBUCLJRSA-N -1 0 343.343 2.019 20 5 EEBDRM NC(=O)[C@@H]1CCC[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000739152396 578041038 /nfs/dbraw/zinc/04/10/38/578041038.db2.gz HFDKQBVVBMQUTQ-LWSHCTJVSA-N -1 0 333.344 2.149 20 5 EEBDRM O=C([O-])CCSCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000739745919 578066453 /nfs/dbraw/zinc/06/64/53/578066453.db2.gz WDISWAQWEWVRBN-UHFFFAOYSA-N -1 0 337.357 2.014 20 5 EEBDRM O=C([O-])c1cc(F)ccc1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000740078878 578079984 /nfs/dbraw/zinc/07/99/84/578079984.db2.gz VFKOYZMIQWZTCQ-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cn3ccccc3n2)cc([N+](=O)[O-])c1 ZINC000740089459 578080431 /nfs/dbraw/zinc/08/04/31/578080431.db2.gz XIOMBLFAXGBGFJ-UHFFFAOYSA-N -1 0 326.268 2.193 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2c[nH]c3ncccc23)cc([N+](=O)[O-])c1 ZINC000740090904 578080482 /nfs/dbraw/zinc/08/04/82/578080482.db2.gz ZHWJCSHXHQECLN-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])c1cccc(CS(=O)(=O)Oc2ccccc2[N+](=O)[O-])c1 ZINC000740226353 578086336 /nfs/dbraw/zinc/08/63/36/578086336.db2.gz XMNQRWRWMNVHTN-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM C[C@H](CC(=O)[O-])SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000736551140 578210782 /nfs/dbraw/zinc/21/07/82/578210782.db2.gz AKIBDZPFRIVHTD-SECBINFHSA-N -1 0 340.357 2.489 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)CC(=O)[O-] ZINC000736703426 578219024 /nfs/dbraw/zinc/21/90/24/578219024.db2.gz TVTUQJOQVYYLTL-MRVPVSSYSA-N -1 0 344.751 2.385 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)CC(=O)[O-] ZINC000736712922 578219601 /nfs/dbraw/zinc/21/96/01/578219601.db2.gz RSMCDYXIZDQJQQ-SECBINFHSA-N -1 0 326.374 2.445 20 5 EEBDRM CCc1noc(CCCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000737293135 578248509 /nfs/dbraw/zinc/24/85/09/578248509.db2.gz YATMRRCFMPTVIY-UHFFFAOYSA-N -1 0 348.315 2.200 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000819159633 597311980 /nfs/dbraw/zinc/31/19/80/597311980.db2.gz VTIAWMXEDOHVMH-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000821545682 598158824 /nfs/dbraw/zinc/15/88/24/598158824.db2.gz CPMZVHITOGWTDK-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000828199846 600825576 /nfs/dbraw/zinc/82/55/76/600825576.db2.gz AJERFBZTSUJNMN-WXPVXBESSA-N -1 0 345.355 2.114 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000833115889 600911919 /nfs/dbraw/zinc/91/19/19/600911919.db2.gz HCNLNAGBBLNDPR-CQSZACIVSA-N -1 0 347.352 2.024 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000833115432 601058494 /nfs/dbraw/zinc/05/84/94/601058494.db2.gz QFTGIVPCCXKHDF-HNNXBMFYSA-N -1 0 349.270 2.482 20 5 EEBDRM COc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000832162484 601144002 /nfs/dbraw/zinc/14/40/02/601144002.db2.gz NHNKHPKSGRKIKS-UHFFFAOYSA-N -1 0 348.286 2.474 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000828393027 601693624 /nfs/dbraw/zinc/69/36/24/601693624.db2.gz FXWTUNGDTDXLTK-XCBNKYQSSA-N -1 0 346.261 2.406 20 5 EEBDRM CCOC(=O)c1ccnc(N[C@H](C(=O)[O-])C(C)(C)C)c1[N+](=O)[O-] ZINC000829885022 601945616 /nfs/dbraw/zinc/94/56/16/601945616.db2.gz AQTWMYSFDPTDBQ-SNVBAGLBSA-N -1 0 325.321 2.078 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2CCCc3n[nH]cc32)cc([N+](=O)[O-])c1 ZINC000833301663 602038652 /nfs/dbraw/zinc/03/86/52/602038652.db2.gz UYYJLIBVNQNYAO-LLVKDONJSA-N -1 0 330.300 2.075 20 5 EEBDRM NC(=O)[C@@H]1CCCC[C@@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000833078777 602239553 /nfs/dbraw/zinc/23/95/53/602239553.db2.gz AIRPDJGABSXKGH-YYYFKNSJSA-N -1 0 333.344 2.149 20 5 EEBDRM Cc1cc(N2CCC(NC(=O)C3CC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888581 602314061 /nfs/dbraw/zinc/31/40/61/602314061.db2.gz IVPABNDFUJQCFU-UHFFFAOYSA-N -1 0 347.371 2.096 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCN2CCSCC2)cc1Cl ZINC000833308696 604268045 /nfs/dbraw/zinc/26/80/45/604268045.db2.gz ZOTULWHDBLCCIG-UHFFFAOYSA-N -1 0 345.808 2.407 20 5 EEBDRM CCC[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833649309 605129530 /nfs/dbraw/zinc/12/95/30/605129530.db2.gz CZBMBTDJDPTVPP-QMMMGPOBSA-N -1 0 332.259 2.179 20 5 EEBDRM CN(CC(=O)NCc1ccccc1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833692416 605186470 /nfs/dbraw/zinc/18/64/70/605186470.db2.gz OPQKCRHLFSAZOL-UHFFFAOYSA-N -1 0 343.339 2.046 20 5 EEBDRM CCCC[C@@H](Nc1nccc(C(=O)OCC)c1[N+](=O)[O-])C(=O)[O-] ZINC000263552587 678215632 /nfs/dbraw/zinc/21/56/32/678215632.db2.gz LZLGWNSQHKMLSA-SNVBAGLBSA-N -1 0 325.321 2.222 20 5 EEBDRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000120602491 1198265195 /nfs/dbraw/zinc/26/51/95/1198265195.db2.gz QTYAIZAKDUGBDS-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000877775727 1200090944 /nfs/dbraw/zinc/09/09/44/1200090944.db2.gz OMBOZXLVQLADQO-CYBMUJFWSA-N -1 0 349.284 2.377 20 5 EEBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000778814186 1208361126 /nfs/dbraw/zinc/36/11/26/1208361126.db2.gz IYLLNONRUBUUFL-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM O=C(COC(=O)c1cc(O)cc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000780075012 1236683066 /nfs/dbraw/zinc/68/30/66/1236683066.db2.gz IMITVAIGAPMSHZ-UHFFFAOYSA-N -1 0 331.280 2.201 20 5 EEBDRM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000802906482 1238583820 /nfs/dbraw/zinc/58/38/20/1238583820.db2.gz SVMSJHDCOUXXMI-UHFFFAOYSA-N -1 0 343.255 2.337 20 5 EEBDRM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886531 1277380818 /nfs/dbraw/zinc/38/08/18/1277380818.db2.gz YHSUKUVFGWZKCK-KOLCDFICSA-N -1 0 344.364 2.365 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H](CC)C(C)(C)C)c1[N+](=O)[O-] ZINC001226019484 1301234450 /nfs/dbraw/zinc/23/44/50/1301234450.db2.gz AZPKOIONTZYKSF-MRVPVSSYSA-N -1 0 327.337 2.471 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC001226019892 1301234705 /nfs/dbraw/zinc/23/47/05/1301234705.db2.gz FJCFGQZRNNAEKH-UDNWOFFPSA-N -1 0 337.332 2.225 20 5 EEBDRM CC/C=C(\C)[C@@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226650200 1301493631 /nfs/dbraw/zinc/49/36/31/1301493631.db2.gz RXIQVPAHJBXEJM-FCZSHJHJSA-N -1 0 325.321 2.391 20 5 EEBDRM CC[C@H](C)CC[C@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226650017 1301493753 /nfs/dbraw/zinc/49/37/53/1301493753.db2.gz NEQOQLFHWJAOOC-IUCAKERBSA-N -1 0 327.337 2.471 20 5 EEBDRM CCOC(=O)[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227097037 1301685707 /nfs/dbraw/zinc/68/57/07/1301685707.db2.gz WKFSJTSIHOXUIG-GXFFZTMASA-N -1 0 347.327 2.354 20 5 EEBDRM CCC[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])C(=O)OCC ZINC001228604578 1302334932 /nfs/dbraw/zinc/33/49/32/1302334932.db2.gz VEJHYAMAJQOAAT-SECBINFHSA-N -1 0 325.321 2.078 20 5 EEBDRM CCC[C@H](CC(=O)OC)Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228814548 1302464080 /nfs/dbraw/zinc/46/40/80/1302464080.db2.gz OPYXHZJIMFMYAW-SECBINFHSA-N -1 0 341.316 2.198 20 5 EEBDRM CCOC(=O)[C@H](CC)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228859958 1302488632 /nfs/dbraw/zinc/48/86/32/1302488632.db2.gz OQPSRJATGBNMBO-ZETCQYMHSA-N -1 0 338.238 2.435 20 5 EEBDRM CC1(C)COC(=O)[C@H]1Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228861891 1302489636 /nfs/dbraw/zinc/48/96/36/1302489636.db2.gz JAWJVQQXWFUSSX-MRVPVSSYSA-N -1 0 336.222 2.045 20 5 EEBDRM COC(=O)c1cnc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)[n-]1 ZINC001230282613 1303141166 /nfs/dbraw/zinc/14/11/66/1303141166.db2.gz WWULBHJBZNBIPI-UHFFFAOYSA-N -1 0 346.343 2.152 20 5 EEBDRM COC(=O)[C@H]1CC[C@@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001231227737 1303692012 /nfs/dbraw/zinc/69/20/12/1303692012.db2.gz LSYGSGOBXXLHQN-DTORHVGOSA-N -1 0 340.288 2.319 20 5 EEBDRM Cn1c(COC(=O)c2ccc([N+](=O)[O-])[n-]2)nnc1-c1ccccc1 ZINC001122638028 1310362811 /nfs/dbraw/zinc/36/28/11/1310362811.db2.gz XBUUEPDPFCZUKF-UHFFFAOYSA-N -1 0 327.300 2.075 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc(N)c(C)c2)c([N+](=O)[O-])c1 ZINC001248474435 1310909295 /nfs/dbraw/zinc/90/92/95/1310909295.db2.gz DDNGYYNHLJEUAM-UHFFFAOYSA-N -1 0 337.357 2.295 20 5 EEBDRM CC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000835275682 1314909053 /nfs/dbraw/zinc/90/90/53/1314909053.db2.gz GKJMROIHXFAFMA-UWVGGRQHSA-N -1 0 344.364 2.365 20 5 EEBDRM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000836899902 1315040506 /nfs/dbraw/zinc/04/05/06/1315040506.db2.gz FDHRUQPFMMVWIQ-ZWNOBZJWSA-N -1 0 328.390 2.140 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000842403341 1315697649 /nfs/dbraw/zinc/69/76/49/1315697649.db2.gz BAXMGRFXUITSRL-PWSUYJOCSA-N -1 0 340.401 2.285 20 5 EEBDRM Cc1ccnc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC001157155852 1318444574 /nfs/dbraw/zinc/44/45/74/1318444574.db2.gz FNUZTFLDKGHLEO-UHFFFAOYSA-N -1 0 349.283 2.383 20 5 EEBDRM O=[N+]([O-])c1cc(Nc2nonc2-c2cn3ccncc3n2)ccc1[O-] ZINC001210394169 1325263284 /nfs/dbraw/zinc/26/32/84/1325263284.db2.gz QEDVLSZSSYAPCT-UHFFFAOYSA-N -1 0 339.271 2.137 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc12 ZINC001608506745 1351706286 /nfs/dbraw/zinc/70/62/86/1351706286.db2.gz XHCLRDPIUZDQFR-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM CCc1nc(NC(=O)c2cccc([N+](=O)[O-])c2N)sc1C(=O)[O-] ZINC001605856045 1351238026 /nfs/dbraw/zinc/23/80/26/1351238026.db2.gz LJHOQGGHHHQPID-UHFFFAOYSA-N -1 0 336.329 2.146 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2cccc(C)c2[N+](=O)[O-])oc1C(=O)[O-] ZINC001607708569 1351543934 /nfs/dbraw/zinc/54/39/34/1351543934.db2.gz GHZXWHPJCLPEPT-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)n1 ZINC001607709061 1351544023 /nfs/dbraw/zinc/54/40/23/1351544023.db2.gz AQDHHVODHUBQNV-UHFFFAOYSA-N -1 0 333.275 2.169 20 5 EEBDRM CC(C)CNC(=O)C1(NCc2cc([O-])ccc2[N+](=O)[O-])CCCC1 ZINC001307549688 1331539361 /nfs/dbraw/zinc/53/93/61/1331539361.db2.gz IWEJQFGLBZNRGZ-UHFFFAOYSA-N -1 0 335.404 2.475 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001608667691 1351738003 /nfs/dbraw/zinc/73/80/03/1351738003.db2.gz PXNDWPPCJNEYKH-VIFPVBQESA-N -1 0 326.736 2.479 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC001608673138 1351739297 /nfs/dbraw/zinc/73/92/97/1351739297.db2.gz XZWSJFHDTHWRRS-ZDUSSCGKSA-N -1 0 333.275 2.075 20 5 EEBDRM O=C([O-])CC1(COC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001608680762 1351740714 /nfs/dbraw/zinc/74/07/14/1351740714.db2.gz RBOOOZBJHNNLLM-UHFFFAOYSA-N -1 0 332.312 2.348 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@H](c3nccs3)C2)cc([N+](=O)[O-])c1 ZINC001608835306 1351774917 /nfs/dbraw/zinc/77/49/17/1351774917.db2.gz DDTVLZAAULEGOF-VIFPVBQESA-N -1 0 347.352 2.379 20 5 EEBDRM Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001318241049 1332495282 /nfs/dbraw/zinc/49/52/82/1332495282.db2.gz NQIRXZPEDJNQEV-UHFFFAOYSA-N -1 0 338.389 2.427 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCOc3cccc(F)c3C2)n1 ZINC001608914788 1351793484 /nfs/dbraw/zinc/79/34/84/1351793484.db2.gz KNUFQDBDFQYJPY-UHFFFAOYSA-N -1 0 333.275 2.226 20 5 EEBDRM O=C([O-])c1cncc(NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC001608982133 1351807886 /nfs/dbraw/zinc/80/78/86/1351807886.db2.gz WTWKVYPFBLYSGJ-UHFFFAOYSA-N -1 0 342.315 2.004 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CC2)c(F)c1 ZINC001333466087 1336053716 /nfs/dbraw/zinc/05/37/16/1336053716.db2.gz IRJHPSLDJJQJEA-UHFFFAOYSA-N -1 0 328.243 2.107 20 5 EEBDRM CC(C)c1nn(C)cc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001609722672 1352069075 /nfs/dbraw/zinc/06/90/75/1352069075.db2.gz WSQQDZVVVGJRRX-UHFFFAOYSA-N -1 0 333.300 2.369 20 5 EEBDRM CC[C@@](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)(C(=O)[O-])c1ccccc1 ZINC001609919110 1352119763 /nfs/dbraw/zinc/11/97/63/1352119763.db2.gz AAHGNVDCTNDHLN-INIZCTEOSA-N -1 0 331.328 2.085 20 5 EEBDRM CCC1(CC)CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[S@@]1=O ZINC001609941887 1352125217 /nfs/dbraw/zinc/12/52/17/1352125217.db2.gz SATYPMWTWCPOOL-QHCPKHFHSA-N -1 0 340.401 2.421 20 5 EEBDRM CCc1[nH]nc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1[N+](=O)[O-] ZINC001610057118 1352151565 /nfs/dbraw/zinc/15/15/65/1352151565.db2.gz PIUYSVKHVMPXSX-UHFFFAOYSA-N -1 0 337.263 2.075 20 5 EEBDRM COC(=O)Nc1cccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001610190610 1352182232 /nfs/dbraw/zinc/18/22/32/1352182232.db2.gz VEHLEOYMSWVTEX-UHFFFAOYSA-N -1 0 346.299 2.478 20 5 EEBDRM COCc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc(C(=O)[O-])c1 ZINC001610271023 1352197229 /nfs/dbraw/zinc/19/72/29/1352197229.db2.gz UJZCGOVSVBMKEK-UHFFFAOYSA-N -1 0 333.300 2.030 20 5 EEBDRM CSc1cccc(C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)c1[N+](=O)[O-] ZINC001610387687 1352214730 /nfs/dbraw/zinc/21/47/30/1352214730.db2.gz YDESSZCIZWUOLF-UHFFFAOYSA-N -1 0 349.324 2.368 20 5 EEBDRM Cc1c(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001600008791 1349954648 /nfs/dbraw/zinc/95/46/48/1349954648.db2.gz BUZYNXXMRRKMRA-XEZPLFJOSA-N -1 0 332.356 2.157 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC001600033791 1349958363 /nfs/dbraw/zinc/95/83/63/1349958363.db2.gz PLDRFIXQCNJPTE-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM Cc1c(NC(=O)c2cncc(Cl)n2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600049431 1349962173 /nfs/dbraw/zinc/96/21/73/1349962173.db2.gz QFBFAUMYVKKLSW-UHFFFAOYSA-N -1 0 336.691 2.297 20 5 EEBDRM Cc1cc(N2CC(Cc3cnn(C)c3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600238223 1349999251 /nfs/dbraw/zinc/99/92/51/1349999251.db2.gz IHFQWPURJSXGKM-UHFFFAOYSA-N -1 0 330.344 2.014 20 5 EEBDRM Cc1cc(OCC(=O)Nc2ccc(C(=O)[O-])nc2)ccc1[N+](=O)[O-] ZINC001600288539 1350012051 /nfs/dbraw/zinc/01/20/51/1350012051.db2.gz SEROLPPMCCRSEI-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])n(C)n2)cc1[N+](=O)[O-] ZINC001600372317 1350032479 /nfs/dbraw/zinc/03/24/79/1350032479.db2.gz JGNNAVGSMHLSJX-SECBINFHSA-N -1 0 347.331 2.218 20 5 EEBDRM Cc1ccc(Cn2nnc(-c3ccc(C(=O)[O-])cc3)n2)cc1[N+](=O)[O-] ZINC001600426528 1350048842 /nfs/dbraw/zinc/04/88/42/1350048842.db2.gz OHSXYJGWDIEABE-UHFFFAOYSA-N -1 0 339.311 2.303 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c1C ZINC001600487331 1350063293 /nfs/dbraw/zinc/06/32/93/1350063293.db2.gz XSXDSFUNWLUXHD-JTQLQIEISA-N -1 0 328.271 2.146 20 5 EEBDRM Cc1n[nH]c(CCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])n1 ZINC001600699720 1350118296 /nfs/dbraw/zinc/11/82/96/1350118296.db2.gz RKSHTQWZOXWGKN-UHFFFAOYSA-N -1 0 325.712 2.028 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001600720467 1350120673 /nfs/dbraw/zinc/12/06/73/1350120673.db2.gz QFXCQNBUVZYIFZ-SNVBAGLBSA-N -1 0 346.343 2.317 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])n1 ZINC001600969453 1350179225 /nfs/dbraw/zinc/17/92/25/1350179225.db2.gz KJYSTJWJGBZNMK-UHFFFAOYSA-N -1 0 342.670 2.071 20 5 EEBDRM Cn1nc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 ZINC001601000489 1350186248 /nfs/dbraw/zinc/18/62/48/1350186248.db2.gz XGBAJFXJWVWOIH-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC001601262339 1350244412 /nfs/dbraw/zinc/24/44/12/1350244412.db2.gz MTLNKMURFUKUMU-CYBMUJFWSA-N -1 0 348.355 2.175 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001601290125 1350250222 /nfs/dbraw/zinc/25/02/22/1350250222.db2.gz CSMQQDBRZGDYSG-OSRDXIQISA-N -1 0 332.356 2.143 20 5 EEBDRM O=C([O-])[C@@H](F)CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001601521905 1350299773 /nfs/dbraw/zinc/29/97/73/1350299773.db2.gz NRBZUMJKXXUWRY-ZETCQYMHSA-N -1 0 339.201 2.158 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001601527725 1350300663 /nfs/dbraw/zinc/30/06/63/1350300663.db2.gz LRFCWBVQLPYUEL-HTRCEHHLSA-N -1 0 345.258 2.038 20 5 EEBDRM O=C([O-])[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCOC1 ZINC001601655878 1350329874 /nfs/dbraw/zinc/32/98/74/1350329874.db2.gz UBJQBKTWRLQTKK-GXFFZTMASA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])C1=NO[C@]2(CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC001601743717 1350353602 /nfs/dbraw/zinc/35/36/02/1350353602.db2.gz KMJWMZXTHJXAIT-CYBMUJFWSA-N -1 0 325.708 2.058 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001601773833 1350361373 /nfs/dbraw/zinc/36/13/73/1350361373.db2.gz VNFHRFWQOJQABX-QMTHXVAHSA-N -1 0 348.380 2.343 20 5 EEBDRM O=C([O-])[C@H]1COCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001601852949 1350381345 /nfs/dbraw/zinc/38/13/45/1350381345.db2.gz JKFCYFLFECFNLM-CQSZACIVSA-N -1 0 332.312 2.140 20 5 EEBDRM O=C([O-])Cc1ccc(NCCCN2CCCCCC2=O)c([N+](=O)[O-])c1 ZINC001602135923 1350447533 /nfs/dbraw/zinc/44/75/33/1350447533.db2.gz AXVKGFRVAYSJOF-UHFFFAOYSA-N -1 0 349.387 2.427 20 5 EEBDRM O=C([O-])Cc1ccc(NCc2nc3c(s2)COCC3)c([N+](=O)[O-])c1 ZINC001602136014 1350447717 /nfs/dbraw/zinc/44/77/17/1350447717.db2.gz FCOOGZHITRZOCB-UHFFFAOYSA-N -1 0 349.368 2.363 20 5 EEBDRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001602172029 1350456899 /nfs/dbraw/zinc/45/68/99/1350456899.db2.gz CQIAISAOTCSDRU-JTQLQIEISA-N -1 0 348.689 2.112 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](F)CN1c1ccc([N+](=O)[O-])cc1Br ZINC001602197510 1350463286 /nfs/dbraw/zinc/46/32/86/1350463286.db2.gz IWCBNXBWDFGGHR-WKEGUHRASA-N -1 0 333.113 2.359 20 5 EEBDRM O=C([O-])c1cc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)ccn1 ZINC001602238052 1350473533 /nfs/dbraw/zinc/47/35/33/1350473533.db2.gz JVUYLUIXKFVGNE-UHFFFAOYSA-N -1 0 342.267 2.317 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CC(NCC(F)(F)F)C2)c1 ZINC001602404225 1350511349 /nfs/dbraw/zinc/51/13/49/1350511349.db2.gz GWFYJSJFFVPLAJ-UHFFFAOYSA-N -1 0 333.266 2.388 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](O)Cc2ccc(F)cc2)c1 ZINC001602404802 1350512045 /nfs/dbraw/zinc/51/20/45/1350512045.db2.gz AOJQDIBXGMLATN-CYBMUJFWSA-N -1 0 334.303 2.448 20 5 EEBDRM O=C([O-])c1ccc2c(c1)ncn(Cc1ccc(F)cc1[N+](=O)[O-])c2=O ZINC001602410120 1350513308 /nfs/dbraw/zinc/51/33/08/1350513308.db2.gz AZHSHHAIGALRFV-UHFFFAOYSA-N -1 0 343.270 2.190 20 5 EEBDRM O=C([O-])c1cnc(NCc2noc(-c3cccs3)n2)c([N+](=O)[O-])c1 ZINC001602534098 1350540824 /nfs/dbraw/zinc/54/08/24/1350540824.db2.gz XAKKSGOQTKKYQN-UHFFFAOYSA-N -1 0 347.312 2.412 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001602621971 1350559573 /nfs/dbraw/zinc/55/95/73/1350559573.db2.gz LABWWTHRKYYWTM-WFTWPBCJSA-N -1 0 330.340 2.164 20 5 EEBDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001603304853 1350683758 /nfs/dbraw/zinc/68/37/58/1350683758.db2.gz OPQDJVCIQRWMSY-LBPRGKRZSA-N -1 0 342.323 2.118 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001603987508 1350820967 /nfs/dbraw/zinc/82/09/67/1350820967.db2.gz IFYILRHCCZOUSQ-QMMMGPOBSA-N -1 0 327.337 2.488 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NC2CC(C)(C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604315251 1350913852 /nfs/dbraw/zinc/91/38/52/1350913852.db2.gz TXGWWDBUSYYIOF-SECBINFHSA-N -1 0 335.360 2.398 20 5 EEBDRM CO[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1(C)C ZINC001605032257 1351062244 /nfs/dbraw/zinc/06/22/44/1351062244.db2.gz MUQNOOFROYDFEL-ZDUSSCGKSA-N -1 0 332.364 2.026 20 5 EEBDRM CC[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)C(=O)[O-] ZINC001605120562 1351081503 /nfs/dbraw/zinc/08/15/03/1351081503.db2.gz RYUNRERZCAZVHJ-IINYFYTJSA-N -1 0 347.327 2.437 20 5 EEBDRM CCO[C@@H]1C[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@@H]1SC ZINC001605652281 1351209980 /nfs/dbraw/zinc/20/99/80/1351209980.db2.gz PYUASYRHQRWPBW-KKZNHRDASA-N -1 0 327.362 2.009 20 5 EEBDRM CCOc1cc(CN2CCC[C@]2(COC)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605671452 1351214468 /nfs/dbraw/zinc/21/44/68/1351214468.db2.gz QUQUPFLWCOQBHT-INIZCTEOSA-N -1 0 338.360 2.059 20 5 EEBDRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])nn1C)c1cccc([N+](=O)[O-])c1 ZINC001605748006 1351221180 /nfs/dbraw/zinc/22/11/80/1351221180.db2.gz LISIEUMHEYNMCZ-LLVKDONJSA-N -1 0 347.331 2.299 20 5 EEBDRM CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001605966112 1351260067 /nfs/dbraw/zinc/26/00/67/1351260067.db2.gz YDUPOBKFBGAJBE-UHFFFAOYSA-N -1 0 339.304 2.094 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001606570660 1351323666 /nfs/dbraw/zinc/32/36/66/1351323666.db2.gz AWZVJCSJFDDNLO-INIZCTEOSA-N -1 0 336.344 2.381 20 5 EEBDRM COC(=O)c1occc1COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001606636657 1351335505 /nfs/dbraw/zinc/33/55/05/1351335505.db2.gz UHBKXQIYBKCJHO-UHFFFAOYSA-N -1 0 349.251 2.030 20 5 EEBDRM COCC[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC001606856545 1351366892 /nfs/dbraw/zinc/36/68/92/1351366892.db2.gz CIKZKDLCONJEKW-CYBMUJFWSA-N -1 0 348.311 2.394 20 5 EEBDRM CON(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(=O)[O-] ZINC001606984732 1351392511 /nfs/dbraw/zinc/39/25/11/1351392511.db2.gz NDLGCRAOXJPAHP-UWVGGRQHSA-N -1 0 342.373 2.329 20 5 EEBDRM COc1c(C)cnc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1C ZINC001607021064 1351399177 /nfs/dbraw/zinc/39/91/77/1351399177.db2.gz LASBRLIYGKBTCG-UHFFFAOYSA-N -1 0 332.316 2.321 20 5 EEBDRM COc1c(NC(=O)COc2ccccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001607029181 1351401009 /nfs/dbraw/zinc/40/10/09/1351401009.db2.gz COMXUKSWJYKSIR-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001607291381 1351465875 /nfs/dbraw/zinc/46/58/75/1351465875.db2.gz BYSITPXEFVNSQT-JTQLQIEISA-N -1 0 337.332 2.226 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3CC=C(C(=O)[O-])C3)c2c1 ZINC001607302435 1351468545 /nfs/dbraw/zinc/46/85/45/1351468545.db2.gz HQDAPPQKBCGBBO-JTQLQIEISA-N -1 0 329.312 2.159 20 5 EEBDRM COc1cncc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1C ZINC001607354518 1351481097 /nfs/dbraw/zinc/48/10/97/1351481097.db2.gz UXWNDSBXOPLBNV-UHFFFAOYSA-N -1 0 332.268 2.224 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Sc2nnc(N(C)C)s2)n1 ZINC001607588257 1351520471 /nfs/dbraw/zinc/52/04/71/1351520471.db2.gz XZSDJRHUWNFBKS-UHFFFAOYSA-N -1 0 341.374 2.065 20 5 EEBDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001607753859 1351551999 /nfs/dbraw/zinc/55/19/99/1351551999.db2.gz OEBAKDSTNAVBLI-HNNXBMFYSA-N -1 0 343.339 2.431 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001607826493 1351566382 /nfs/dbraw/zinc/56/63/82/1351566382.db2.gz SBAWLEJQGGGJEP-CQSZACIVSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1csc(S(=O)(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001607934086 1351588846 /nfs/dbraw/zinc/58/88/46/1351588846.db2.gz MSGOOCKXQFGMHV-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cn1c(COc2cccc(C(=O)[O-])c2[N+](=O)[O-])nnc1C1CCC1 ZINC001608090627 1351623012 /nfs/dbraw/zinc/62/30/12/1351623012.db2.gz ZISSCBFZKNBWJX-UHFFFAOYSA-N -1 0 332.316 2.268 20 5 EEBDRM NC(=O)c1coc(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001608244732 1351654866 /nfs/dbraw/zinc/65/48/66/1351654866.db2.gz BCILONBFMHYFDN-UHFFFAOYSA-N -1 0 339.691 2.250 20 5 EEBDRM Cn1nc2c(c1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])CCCC2 ZINC000837583176 1372792768 /nfs/dbraw/zinc/79/27/68/1372792768.db2.gz XZGMTEAUFGOBKB-UHFFFAOYSA-N -1 0 331.328 2.270 20 5 EEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H](C)CC ZINC000839060022 1372886550 /nfs/dbraw/zinc/88/65/50/1372886550.db2.gz XPDGMVSDCULCRO-SNVBAGLBSA-N -1 0 343.405 2.268 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)s1 ZINC000112160562 775404977 /nfs/dbraw/zinc/40/49/77/775404977.db2.gz MQFGNDPZDWMNQX-UHFFFAOYSA-N -1 0 332.384 2.145 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CSCCS2)n1 ZINC000844211144 788928476 /nfs/dbraw/zinc/92/84/76/788928476.db2.gz IGAGYJYBPAODOT-MRVPVSSYSA-N -1 0 329.403 2.257 20 5 EEBDRM COc1cccc2nn(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c(N)c21 ZINC001176672995 798523603 /nfs/dbraw/zinc/52/36/03/798523603.db2.gz RBOFFDDFTVIFJW-UHFFFAOYSA-N -1 0 328.284 2.223 20 5 EEBDRM O=C([O-])c1ccc(N[C@@H]2C(=O)NCc3ccccc32)cc1[N+](=O)[O-] ZINC001169889206 804149121 /nfs/dbraw/zinc/14/91/21/804149121.db2.gz PRNYDUYXXWJKGU-AWEZNQCLSA-N -1 0 327.296 2.076 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000791393814 809223490 /nfs/dbraw/zinc/22/34/90/809223490.db2.gz VBUCXEIGJGXKOH-UHFFFAOYSA-N -1 0 336.235 2.182 20 5 EEBDRM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000804479707 810879563 /nfs/dbraw/zinc/87/95/63/810879563.db2.gz RSKCTNZAUFWORP-BZNIZROVSA-N -1 0 330.340 2.461 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000809065862 812954429 /nfs/dbraw/zinc/95/44/29/812954429.db2.gz QZNQONZMYUMXFK-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C(=O)[O-])cc1 ZINC000345860024 939128492 /nfs/dbraw/zinc/12/84/92/939128492.db2.gz REJRLXNHUNDFKI-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001611098064 970890880 /nfs/dbraw/zinc/89/08/80/970890880.db2.gz COBRGILGSKKJTM-LLVKDONJSA-N -1 0 344.323 2.377 20 5 EEBDRM O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CO1 ZINC001595004279 951176975 /nfs/dbraw/zinc/17/69/75/951176975.db2.gz IZPFYYKMQKSZIW-SCZZXKLOSA-N -1 0 342.735 2.457 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC001589271704 953414327 /nfs/dbraw/zinc/41/43/27/953414327.db2.gz FKNFGSUVZCLOBP-UWVGGRQHSA-N -1 0 331.328 2.259 20 5 EEBDRM CCc1cc(N[C@H]2C[C@H](C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001593634463 953602743 /nfs/dbraw/zinc/60/27/43/953602743.db2.gz VRJCKCFEHMLKHY-AULYBMBSSA-N -1 0 342.355 2.311 20 5 EEBDRM C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC001589344023 954037021 /nfs/dbraw/zinc/03/70/21/954037021.db2.gz KFLDOUQZCJZWIP-HPEDKQMDSA-N -1 0 332.356 2.268 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001589344189 954037697 /nfs/dbraw/zinc/03/76/97/954037697.db2.gz NFYBGPJZCLIISE-LOWVWBTDSA-N -1 0 335.360 2.408 20 5 EEBDRM CN(CC(=O)[O-])C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001593721042 954251952 /nfs/dbraw/zinc/25/19/52/954251952.db2.gz HUPHAUHRPVLWMJ-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM O=C([O-])C1(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCOCC1 ZINC001594880420 954425701 /nfs/dbraw/zinc/42/57/01/954425701.db2.gz FSPWCQABRSRKBG-UHFFFAOYSA-N -1 0 349.265 2.302 20 5 EEBDRM O=C([O-])C1CC2(C1)CC[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])O2 ZINC001594907910 954692011 /nfs/dbraw/zinc/69/20/11/954692011.db2.gz UUIMQAVESXMTNI-CFEOFWIRSA-N -1 0 341.751 2.468 20 5 EEBDRM C[C@H](CNC(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589054503 955684869 /nfs/dbraw/zinc/68/48/69/955684869.db2.gz XMVNPWNAEGBOBZ-LLVKDONJSA-N -1 0 337.376 2.498 20 5 EEBDRM C[C@H](NC(=O)C1(C(=O)[O-])CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC001589090954 955939055 /nfs/dbraw/zinc/93/90/55/955939055.db2.gz MGSGQWKIIRDPRJ-JTQLQIEISA-N -1 0 338.385 2.370 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1O ZINC001594688620 956732972 /nfs/dbraw/zinc/73/29/72/956732972.db2.gz VNBSHARRDMKNBX-UHFFFAOYSA-N -1 0 345.311 2.439 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccn1 ZINC001594705291 956836063 /nfs/dbraw/zinc/83/60/63/956836063.db2.gz KAPUKIZLIAUSCX-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM Cc1cc(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)cc([N+](=O)[O-])c1 ZINC001594279176 957730678 /nfs/dbraw/zinc/73/06/78/957730678.db2.gz SVJPEMONYBJFBC-TVIZTDCDSA-N -1 0 348.355 2.045 20 5 EEBDRM O=C([O-])c1nn(Cc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000229735188 960090086 /nfs/dbraw/zinc/09/00/86/960090086.db2.gz APBNJDFGHZTVMW-UHFFFAOYSA-N -1 0 332.135 2.362 20 5 EEBDRM Cc1c(Br)cc(C(=O)NC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001574298567 960713683 /nfs/dbraw/zinc/71/36/83/960713683.db2.gz GQURMHXAVGNCII-UHFFFAOYSA-N -1 0 345.149 2.259 20 5 EEBDRM Cc1c(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC001574304477 960730899 /nfs/dbraw/zinc/73/08/99/960730899.db2.gz QUZVIHNWUYMDCC-NWDGAFQWSA-N -1 0 333.344 2.478 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c1 ZINC001605309583 973127321 /nfs/dbraw/zinc/12/73/21/973127321.db2.gz CPINMQPVEYPESG-STQMWFEESA-N -1 0 344.371 2.331 20 5 EEBDRM O=C([O-])Cn1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC001606350312 973789868 /nfs/dbraw/zinc/78/98/68/973789868.db2.gz HBWRAPNXZGFFNT-UHFFFAOYSA-N -1 0 342.258 2.089 20 5 EEBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001603610507 973885317 /nfs/dbraw/zinc/88/53/17/973885317.db2.gz ZDEVNHZLLIFESP-MRXNPFEDSA-N -1 0 346.343 2.188 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001591921323 976395375 /nfs/dbraw/zinc/39/53/75/976395375.db2.gz XXCPDPALZBGKIY-MRVPVSSYSA-N -1 0 326.353 2.061 20 5 EEBDRM O=C([O-])C1=CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000702219722 977070599 /nfs/dbraw/zinc/07/05/99/977070599.db2.gz NGWRKLULTUFJAP-SSDOTTSWSA-N -1 0 328.122 2.338 20 5 EEBDRM C[C@@H](/C=C/C(=O)[O-])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001592203243 977226880 /nfs/dbraw/zinc/22/68/80/977226880.db2.gz YVGJRKVJKAHOBU-NCJLJLRUSA-N -1 0 344.776 2.486 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC001592308125 977674141 /nfs/dbraw/zinc/67/41/41/977674141.db2.gz FXOKTTIDTQJJOB-MRXNPFEDSA-N -1 0 347.302 2.249 20 5 EEBDRM CC[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001595158709 979669889 /nfs/dbraw/zinc/66/98/89/979669889.db2.gz CMZWSQHHVRXRLN-ZETCQYMHSA-N -1 0 334.250 2.454 20 5 EEBDRM CC[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@H](C)C(=O)[O-] ZINC001595352236 980666664 /nfs/dbraw/zinc/66/66/64/980666664.db2.gz VNNZXDNCPAYOBQ-HZMBPMFUSA-N -1 0 347.327 2.437 20 5 EEBDRM CC[C@@H]1CCCCN1C(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595451768 981110373 /nfs/dbraw/zinc/11/03/73/981110373.db2.gz SPKAWXSBEDOLIB-LLVKDONJSA-N -1 0 336.344 2.463 20 5 EEBDRM CCC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)[O-] ZINC001595553796 981431762 /nfs/dbraw/zinc/43/17/62/981431762.db2.gz ORDQXWDPWJXWBR-INIZCTEOSA-N -1 0 346.343 2.154 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001594975110 982747824 /nfs/dbraw/zinc/74/78/24/982747824.db2.gz YRMLDYUFRDXCRO-JTQLQIEISA-N -1 0 326.374 2.399 20 5 EEBDRM CCNc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001596501435 984255715 /nfs/dbraw/zinc/25/57/15/984255715.db2.gz UOQQPNPWBAJKKD-YGRLFVJLSA-N -1 0 335.360 2.352 20 5 EEBDRM CCOC(=O)C1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC001596560816 984439013 /nfs/dbraw/zinc/43/90/13/984439013.db2.gz UULIAHGKQQQJGB-UHFFFAOYSA-N -1 0 337.332 2.223 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC001599925588 985194957 /nfs/dbraw/zinc/19/49/57/985194957.db2.gz IZVBZPOHURKKKN-RTHLEPHNSA-N -1 0 326.736 2.431 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC001597142829 986892679 /nfs/dbraw/zinc/89/26/79/986892679.db2.gz MPWTYOXWTBNULO-WDEREUQCSA-N -1 0 337.332 2.368 20 5 EEBDRM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001589581025 987361580 /nfs/dbraw/zinc/36/15/80/987361580.db2.gz WACFKEBFYORPMM-CZXHOFHRSA-N -1 0 346.383 2.488 20 5 EEBDRM CSc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1[N+](=O)[O-] ZINC001599821826 988527443 /nfs/dbraw/zinc/52/74/43/988527443.db2.gz JJTZJWAYLLIGEZ-VHSXEESVSA-N -1 0 338.385 2.500 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)O[C@H]1C(=O)[O-] ZINC001599875868 989417994 /nfs/dbraw/zinc/41/79/94/989417994.db2.gz OJHNRIAUIWECNC-DIMCTHFVSA-N -1 0 328.708 2.065 20 5 EEBDRM C[C@@](NC(=O)c1ccnc(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593181929 994074391 /nfs/dbraw/zinc/07/43/91/994074391.db2.gz ZOWLMNDKFYBTSC-HNNXBMFYSA-N -1 0 349.730 2.373 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H](C(=O)[O-])C1CC1 ZINC001593619823 995864596 /nfs/dbraw/zinc/86/45/96/995864596.db2.gz QCCLAWUWRCNLPN-JMCQJSRRSA-N -1 0 343.719 2.422 20 5 EEBDRM COCCC[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599226060 997761350 /nfs/dbraw/zinc/76/13/50/997761350.db2.gz YEORLVFLNAJMNT-MEDUHNTESA-N -1 0 338.360 2.074 20 5 EEBDRM COCCCOC1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001599227764 997790513 /nfs/dbraw/zinc/79/05/13/997790513.db2.gz ZAGGQLZBVNMWEQ-UHFFFAOYSA-N -1 0 344.751 2.188 20 5 EEBDRM COc1cc(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1NC(C)=O ZINC001599445431 998001419 /nfs/dbraw/zinc/00/14/19/998001419.db2.gz KMLJCAAMCHLZKL-UHFFFAOYSA-N -1 0 346.299 2.399 20 5 EEBDRM COc1cc(C(=O)N(CCC(=O)[O-])C(C)C)c([N+](=O)[O-])cc1F ZINC001599350580 998086137 /nfs/dbraw/zinc/08/61/37/998086137.db2.gz BKUVFBVBHXYPRD-UHFFFAOYSA-N -1 0 328.296 2.068 20 5 EEBDRM COc1cc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c([N+](=O)[O-])cc1F ZINC001599355261 998167954 /nfs/dbraw/zinc/16/79/54/998167954.db2.gz YPBSXBLYIZJSRA-UHFFFAOYSA-N -1 0 337.263 2.032 20 5 EEBDRM COCCO[C@@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599249676 998207587 /nfs/dbraw/zinc/20/75/87/998207587.db2.gz NTOJLMOYJAAKLQ-SECBINFHSA-N -1 0 344.751 2.188 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001599461837 998285997 /nfs/dbraw/zinc/28/59/97/998285997.db2.gz CWGRYGBGFWVEMY-MRXNPFEDSA-N -1 0 344.323 2.456 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001599461913 998288462 /nfs/dbraw/zinc/28/84/62/998288462.db2.gz ILPBKWKNRLRMPI-SNVBAGLBSA-N -1 0 337.332 2.226 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001594141621 998445175 /nfs/dbraw/zinc/44/51/75/998445175.db2.gz KVVNIQZWYYCSKY-MWLCHTKSSA-N -1 0 338.335 2.333 20 5 EEBDRM COC(=O)c1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])o1 ZINC001598975343 998593131 /nfs/dbraw/zinc/59/31/31/998593131.db2.gz GMEJAVDPFZIOLF-UHFFFAOYSA-N -1 0 334.284 2.214 20 5 EEBDRM C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CCN1C ZINC001594177832 998691182 /nfs/dbraw/zinc/69/11/82/998691182.db2.gz ADKVVNPISZIBKP-BDAKNGLRSA-N -1 0 327.768 2.475 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(CSc2nc(C(=O)[O-])c[nH]2)c1 ZINC001598988433 998715668 /nfs/dbraw/zinc/71/56/68/998715668.db2.gz QRRCKBWRMUWZBM-UHFFFAOYSA-N -1 0 337.313 2.095 20 5 EEBDRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000263490581 201207706 /nfs/dbraw/zinc/20/77/06/201207706.db2.gz WQCKZHKSPRQDNP-KGLIPLIRSA-N -1 0 336.344 2.123 20 5 EEBDRM CC(C)(CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000262242128 201202264 /nfs/dbraw/zinc/20/22/64/201202264.db2.gz PFNIAUMNFYSLSG-UHFFFAOYSA-N -1 0 346.343 2.011 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000261790409 304122650 /nfs/dbraw/zinc/12/26/50/304122650.db2.gz KHYNOJAQIRRHQP-SSDOTTSWSA-N -1 0 332.234 2.160 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)c1ccco1 ZINC000445739546 242129862 /nfs/dbraw/zinc/12/98/62/242129862.db2.gz GGTNIPYJHFRCAJ-UHFFFAOYSA-N -1 0 330.749 2.362 20 5 EEBDRM Cc1ccccc1CCC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000069844892 203056444 /nfs/dbraw/zinc/05/64/44/203056444.db2.gz DKBDJKPJBOCJKB-UHFFFAOYSA-N -1 0 348.380 2.341 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2cccs2)CC1 ZINC000160378080 206294465 /nfs/dbraw/zinc/29/44/65/206294465.db2.gz WJVAWHMBLLVQMN-UHFFFAOYSA-N -1 0 333.369 2.324 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000347398949 304263439 /nfs/dbraw/zinc/26/34/39/304263439.db2.gz WCJQYBNVBRIGPM-UHFFFAOYSA-N -1 0 344.279 2.317 20 5 EEBDRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000270436786 256135312 /nfs/dbraw/zinc/13/53/12/256135312.db2.gz XYNWTDRCPBSWCJ-MRVPVSSYSA-N -1 0 325.321 2.152 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C(=O)[O-])C1 ZINC000263033047 296539171 /nfs/dbraw/zinc/53/91/71/296539171.db2.gz ORODGLLKEZJKCI-RNCFNFMXSA-N -1 0 331.328 2.401 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)/C=C/C(C)(C)C ZINC000117084272 292236365 /nfs/dbraw/zinc/23/63/65/292236365.db2.gz SDXCPQQRDPPMBE-BQYQJAHWSA-N -1 0 326.374 2.310 20 5 EEBDRM Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c(O)c1 ZINC000356033283 153254325 /nfs/dbraw/zinc/25/43/25/153254325.db2.gz FWBWQLJHEYCLEI-UHFFFAOYSA-N -1 0 338.341 2.424 20 5 EEBDRM CCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000128554164 292344017 /nfs/dbraw/zinc/34/40/17/292344017.db2.gz GPSNTZXGNNJMCG-LBPRGKRZSA-N -1 0 349.387 2.069 20 5 EEBDRM O=[N+]([O-])c1ccccc1NCCN=c1nc(C(F)(F)F)[n-]s1 ZINC000341805146 161015067 /nfs/dbraw/zinc/01/50/67/161015067.db2.gz HGQCWHQFSKQKRH-UHFFFAOYSA-N -1 0 333.295 2.411 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1O ZINC000342385294 161061340 /nfs/dbraw/zinc/06/13/40/161061340.db2.gz OIIXLNRSXDIWDP-UHFFFAOYSA-N -1 0 344.370 2.480 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1F ZINC000343876818 161176953 /nfs/dbraw/zinc/17/69/53/161176953.db2.gz MLJCBXCQODKDPV-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM O=C([O-])COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1Cl ZINC000346000059 161348991 /nfs/dbraw/zinc/34/89/91/161348991.db2.gz NFVUOYSATDZJAG-UHFFFAOYSA-N -1 0 339.691 2.292 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351709608 161889286 /nfs/dbraw/zinc/88/92/86/161889286.db2.gz HCCQAQATAJFHRI-UHFFFAOYSA-N -1 0 342.402 2.457 20 5 EEBDRM Cc1c(C(=O)NCc2cccc(OCC(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000362812626 164803529 /nfs/dbraw/zinc/80/35/29/164803529.db2.gz IYYNZYDHHHOUBY-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cn1nccc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000374883367 167059477 /nfs/dbraw/zinc/05/94/77/167059477.db2.gz WGTLJMHVEVSEKK-GFCCVEGCSA-N -1 0 330.344 2.054 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(O)(c2ccccc2)CC1 ZINC000185929418 304503381 /nfs/dbraw/zinc/50/33/81/304503381.db2.gz JHEUTPPAEPFMRP-UHFFFAOYSA-N -1 0 342.351 2.424 20 5 EEBDRM Cc1csc([C@H]2COCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000275409836 269113957 /nfs/dbraw/zinc/11/39/57/269113957.db2.gz BJCVRAVKFHUOPH-CYBMUJFWSA-N -1 0 349.368 2.279 20 5 EEBDRM CCCCCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000277862164 269192054 /nfs/dbraw/zinc/19/20/54/269192054.db2.gz HKPZRVWQEVXPSV-UHFFFAOYSA-N -1 0 334.332 2.199 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000288706511 275081696 /nfs/dbraw/zinc/08/16/96/275081696.db2.gz XEKJGJGMPQQFIO-JTQLQIEISA-N -1 0 342.270 2.353 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000292434668 275427529 /nfs/dbraw/zinc/42/75/29/275427529.db2.gz DNVLXJYCILZVGP-GJZGRUSLSA-N -1 0 332.356 2.474 20 5 EEBDRM O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000292598957 275452976 /nfs/dbraw/zinc/45/29/76/275452976.db2.gz HRFYUDDWMZVEJU-CRAIPNDOSA-N -1 0 342.351 2.196 20 5 EEBDRM CC(=O)N1CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])ccc21 ZINC000194742581 278058699 /nfs/dbraw/zinc/05/86/99/278058699.db2.gz WKYLRKJWILCXBK-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000281709827 292779769 /nfs/dbraw/zinc/77/97/69/292779769.db2.gz QDYZBPXKCIYRID-MRVPVSSYSA-N -1 0 338.307 2.448 20 5 EEBDRM CN1CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc21 ZINC000187616048 290121293 /nfs/dbraw/zinc/12/12/93/290121293.db2.gz IJQMSFVNFMJKHG-UHFFFAOYSA-N -1 0 329.312 2.381 20 5 EEBDRM O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000326753342 311604569 /nfs/dbraw/zinc/60/45/69/311604569.db2.gz MLNXCOHROCLAAW-JQPIKURYSA-N -1 0 340.335 2.420 20 5 EEBDRM Cc1csc(N2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000332476119 312013050 /nfs/dbraw/zinc/01/30/50/312013050.db2.gz VCDPYDZSCRINBI-UHFFFAOYSA-N -1 0 334.401 2.388 20 5 EEBDRM O=C(Nc1n[nH]c(-c2ccccc2F)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436599928 314979578 /nfs/dbraw/zinc/97/95/78/314979578.db2.gz FDBFGAGTNWYUPB-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM CCOC(=O)CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000436964872 315017134 /nfs/dbraw/zinc/01/71/34/315017134.db2.gz HTYWSOZYDPYMFC-UHFFFAOYSA-N -1 0 336.344 2.248 20 5 EEBDRM COc1ccc([C@@H](CCO)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436969800 315017997 /nfs/dbraw/zinc/01/79/97/315017997.db2.gz ALWALKIYLGIXBM-CQSZACIVSA-N -1 0 346.339 2.163 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493086622 315874047 /nfs/dbraw/zinc/87/40/47/315874047.db2.gz ACVQQXUEOQZNBY-NPNFKUNOSA-N -1 0 336.319 2.459 20 5 EEBDRM CC(C)CCCNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000519163163 316766980 /nfs/dbraw/zinc/76/69/80/316766980.db2.gz RYWUSHYJQBJVKE-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000537403656 318017170 /nfs/dbraw/zinc/01/71/70/318017170.db2.gz SGMFWFRDNUCBTN-YGRLFVJLSA-N -1 0 331.328 2.125 20 5 EEBDRM CNc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000539575508 318057169 /nfs/dbraw/zinc/05/71/69/318057169.db2.gz UTLGAFDRTYPNSG-UHFFFAOYSA-N -1 0 343.339 2.307 20 5 EEBDRM Cn1nccc1[C@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000563215211 318985174 /nfs/dbraw/zinc/98/51/74/318985174.db2.gz ZBRJHACNFXKYLN-XHDPSFHLSA-N -1 0 346.343 2.359 20 5 EEBDRM Cn1cc(CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000566272661 319267584 /nfs/dbraw/zinc/26/75/84/319267584.db2.gz HPGIQRJLYJNNKW-UHFFFAOYSA-N -1 0 338.751 2.050 20 5 EEBDRM CC1(C)CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000566740054 319316824 /nfs/dbraw/zinc/31/68/24/319316824.db2.gz MMXPWYNPAOXKMD-MRXNPFEDSA-N -1 0 336.344 2.067 20 5 EEBDRM CC1(C)[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]2CCO[C@H]21 ZINC000567050190 319343314 /nfs/dbraw/zinc/34/33/14/319343314.db2.gz FYMGLCJBHAWVKE-BZHVJNSISA-N -1 0 340.763 2.497 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000570686472 319689129 /nfs/dbraw/zinc/68/91/29/319689129.db2.gz LGAYWFFUHBUQTN-AWEZNQCLSA-N -1 0 335.360 2.474 20 5 EEBDRM CC(C)N(C1CCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000572957414 319892146 /nfs/dbraw/zinc/89/21/46/319892146.db2.gz ASOSGJHRISTSNG-UHFFFAOYSA-N -1 0 342.373 2.245 20 5 EEBDRM C[C@@H]1[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000574990477 320077811 /nfs/dbraw/zinc/07/78/11/320077811.db2.gz ALCCCOSWJWJNPM-BDAKNGLRSA-N -1 0 327.768 2.118 20 5 EEBDRM CC(C)(C)c1nnc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])s1 ZINC000576758618 320201551 /nfs/dbraw/zinc/20/15/51/320201551.db2.gz ZPLXTGSWQVFDIE-UHFFFAOYSA-N -1 0 337.361 2.449 20 5 EEBDRM C/C=C\C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000578345926 320309394 /nfs/dbraw/zinc/30/93/94/320309394.db2.gz YULWADCJDHBZIR-XQJDBVBESA-N -1 0 347.371 2.344 20 5 EEBDRM CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000580781119 324128467 /nfs/dbraw/zinc/12/84/67/324128467.db2.gz JUEFKAOEPZMTBO-LLVKDONJSA-N -1 0 342.373 2.246 20 5 EEBDRM CO[C@@H](C)c1nc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cs1 ZINC000582124566 324385909 /nfs/dbraw/zinc/38/59/09/324385909.db2.gz KEVVVNZWJIQJGL-ZETCQYMHSA-N -1 0 338.345 2.464 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000193205501 465028046 /nfs/dbraw/zinc/02/80/46/465028046.db2.gz XFUPSLDGTCGMBP-ZDUSSCGKSA-N -1 0 341.433 2.056 20 5 EEBDRM COc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000336890708 465084859 /nfs/dbraw/zinc/08/48/59/465084859.db2.gz OFCDMPVVAMBGEB-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM CC(C)OCc1nc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])no1 ZINC000339206112 465142665 /nfs/dbraw/zinc/14/26/65/465142665.db2.gz ZZPLHHBXLYXFJO-SNVBAGLBSA-N -1 0 336.348 2.459 20 5 EEBDRM CC(C)C(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000089531435 462690779 /nfs/dbraw/zinc/69/07/79/462690779.db2.gz SEOWVPMVGFXRNE-UHFFFAOYSA-N -1 0 335.360 2.134 20 5 EEBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCCOCC1CC1 ZINC000119516001 462907272 /nfs/dbraw/zinc/90/72/72/462907272.db2.gz AIZLMVVNNKHTJN-UHFFFAOYSA-N -1 0 348.808 2.343 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nccc(-c3ccco3)n2)cc1 ZINC000163257156 463575280 /nfs/dbraw/zinc/57/52/80/463575280.db2.gz OEEXWWLEMVHDSM-UHFFFAOYSA-N -1 0 346.324 2.446 20 5 EEBDRM Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000164848070 463633719 /nfs/dbraw/zinc/63/37/19/463633719.db2.gz JFWBHTDTLSQTLI-LBPRGKRZSA-N -1 0 344.371 2.129 20 5 EEBDRM CC(C)(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000170307443 463676383 /nfs/dbraw/zinc/67/63/83/463676383.db2.gz KWWQBBKXAVOTSW-SNVBAGLBSA-N -1 0 344.389 2.010 20 5 EEBDRM CCOC1CC(CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000276710037 463727157 /nfs/dbraw/zinc/72/71/57/463727157.db2.gz ORUGRNZRRKRJQN-UHFFFAOYSA-N -1 0 346.380 2.217 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000261626404 463806927 /nfs/dbraw/zinc/80/69/27/463806927.db2.gz GUVBMKOUSQLUKU-MRXNPFEDSA-N -1 0 336.344 2.176 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262127170 463953649 /nfs/dbraw/zinc/95/36/49/463953649.db2.gz JLAFNGHBZSZBGD-UHFFFAOYSA-N -1 0 346.343 2.101 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000262913104 464052208 /nfs/dbraw/zinc/05/22/08/464052208.db2.gz FXWTUNGDTDXLTK-GMSGAONNSA-N -1 0 346.261 2.406 20 5 EEBDRM CCOc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC000263309005 464082354 /nfs/dbraw/zinc/08/23/54/464082354.db2.gz HSJUKQOOTITYCI-JQWIXIFHSA-N -1 0 336.344 2.319 20 5 EEBDRM CCOc1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000263371357 464093386 /nfs/dbraw/zinc/09/33/86/464093386.db2.gz VLUVXXNTJYJZDA-CMPLNLGQSA-N -1 0 336.344 2.176 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000263508742 464119429 /nfs/dbraw/zinc/11/94/29/464119429.db2.gz MUSNPMKVYRTROY-GHMZBOCLSA-N -1 0 338.385 2.399 20 5 EEBDRM Cn1c(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])nc2ccccc21 ZINC000179477700 464142549 /nfs/dbraw/zinc/14/25/49/464142549.db2.gz IVNGKLHADSYSFA-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000294418976 464494498 /nfs/dbraw/zinc/49/44/98/464494498.db2.gz YJGKTPDPKGTUAR-OAHLLOKOSA-N -1 0 332.356 2.332 20 5 EEBDRM O=C(NC[C@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182093017 464570137 /nfs/dbraw/zinc/57/01/37/464570137.db2.gz MIGOJEXZGNDIML-ZDUSSCGKSA-N -1 0 330.340 2.196 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2cccs2)CC1 ZINC000182100321 464570861 /nfs/dbraw/zinc/57/08/61/464570861.db2.gz RTKNKKQAJZXLEK-UHFFFAOYSA-N -1 0 333.369 2.324 20 5 EEBDRM Cc1noc([C@@H]2CCCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000286442185 464919698 /nfs/dbraw/zinc/91/96/98/464919698.db2.gz OGTHCAIAUFTMBX-NSHDSACASA-N -1 0 332.316 2.359 20 5 EEBDRM CC[C@@H](COCC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000295848200 464984470 /nfs/dbraw/zinc/98/44/70/464984470.db2.gz BLMDRLBFKTUBSU-QMMMGPOBSA-N -1 0 336.266 2.388 20 5 EEBDRM COc1ccc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1[N+](=O)[O-] ZINC000593921293 468434455 /nfs/dbraw/zinc/43/44/55/468434455.db2.gz SNIGZKBIKSJEIY-MRXNPFEDSA-N -1 0 334.328 2.031 20 5 EEBDRM Cc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1O ZINC000340234608 465907476 /nfs/dbraw/zinc/90/74/76/465907476.db2.gz ATQCTIMEKNEHOG-UHFFFAOYSA-N -1 0 338.341 2.424 20 5 EEBDRM CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000357525310 466102845 /nfs/dbraw/zinc/10/28/45/466102845.db2.gz URACMPCEURWTQS-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM Cc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1[N+](=O)[O-] ZINC000354205606 466375532 /nfs/dbraw/zinc/37/55/32/466375532.db2.gz HVLAXNZRVBFBQO-UHFFFAOYSA-N -1 0 340.295 2.499 20 5 EEBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccsc3)ccc2c1 ZINC000350145274 466402661 /nfs/dbraw/zinc/40/26/61/466402661.db2.gz WPYMQPRNTRXDAG-UHFFFAOYSA-N -1 0 335.366 3.005 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(F)c(F)c1 ZINC000324269232 466645298 /nfs/dbraw/zinc/64/52/98/466645298.db2.gz NGDKFFZPAXPFPJ-UHFFFAOYSA-N -1 0 346.286 2.491 20 5 EEBDRM O=C([O-])Cc1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000324553843 466648349 /nfs/dbraw/zinc/64/83/49/466648349.db2.gz WLFLPDYTFSCKAL-UHFFFAOYSA-N -1 0 330.296 2.239 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000325185746 466654394 /nfs/dbraw/zinc/65/43/94/466654394.db2.gz AGILZQVUFYECOL-JTQLQIEISA-N -1 0 339.348 2.472 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1noc(C)c1C ZINC000451053059 467236487 /nfs/dbraw/zinc/23/64/87/467236487.db2.gz ZAPLXUNTPQTNNO-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM CCc1ccnc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000435618275 467481457 /nfs/dbraw/zinc/48/14/57/467481457.db2.gz SJNANXANVUALCQ-UHFFFAOYSA-N -1 0 339.348 2.170 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)/C=C\C(C)(C)C)cc1[N+](=O)[O-] ZINC000492445678 467639140 /nfs/dbraw/zinc/63/91/40/467639140.db2.gz TZWXSGWPMIORMV-FPLPWBNLSA-N -1 0 342.373 2.011 20 5 EEBDRM Cc1ccc(C[C@@H](CO)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC000457248525 467785378 /nfs/dbraw/zinc/78/53/78/467785378.db2.gz HSMNJBFJEILLLR-HNNXBMFYSA-N -1 0 344.367 2.251 20 5 EEBDRM Cc1cc(N2CC[C@](O)(C(F)(F)F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000517151764 468072914 /nfs/dbraw/zinc/07/29/14/468072914.db2.gz FZPFNBBZXOJGIT-GFCCVEGCSA-N -1 0 334.250 2.105 20 5 EEBDRM COC(=O)c1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000532110827 468098305 /nfs/dbraw/zinc/09/83/05/468098305.db2.gz BFRVFIMBRRTTBP-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM O=C1N=NC([C@H]2CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)O1 ZINC000589597785 468163695 /nfs/dbraw/zinc/16/36/95/468163695.db2.gz INUPQCGFARBUAD-VIFPVBQESA-N -1 0 342.315 2.011 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567879119 468229166 /nfs/dbraw/zinc/22/91/66/468229166.db2.gz LFZHBNJLHYYPIK-MWLCHTKSSA-N -1 0 337.332 2.178 20 5 EEBDRM Cc1nc(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])sc1C ZINC000567978577 468248370 /nfs/dbraw/zinc/24/83/70/468248370.db2.gz LDLFBUPLCOOOSR-UHFFFAOYSA-N -1 0 336.373 2.724 20 5 EEBDRM CC[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000520589880 468260725 /nfs/dbraw/zinc/26/07/25/468260725.db2.gz KTDAZBJSIINERY-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O[C@@H]3CCOC3)cc2)[nH]1 ZINC000594697725 468656969 /nfs/dbraw/zinc/65/69/69/468656969.db2.gz YDUXHKUOURSMBJ-MJRJWQSSSA-N -1 0 345.311 2.134 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000594735638 468668150 /nfs/dbraw/zinc/66/81/50/468668150.db2.gz LXJCSTDNHIFINB-SMDDNHRTSA-N -1 0 335.360 2.474 20 5 EEBDRM CCCCN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000570636721 468668539 /nfs/dbraw/zinc/66/85/39/468668539.db2.gz ZOTVERQJINXIOI-UHFFFAOYSA-N -1 0 330.362 2.104 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000600874204 468672794 /nfs/dbraw/zinc/67/27/94/468672794.db2.gz JQBJARQIYVEBOE-YNEHKIRRSA-N -1 0 348.355 2.075 20 5 EEBDRM CC(C)(CO)[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccnc1 ZINC000597844374 468690043 /nfs/dbraw/zinc/69/00/43/468690043.db2.gz DPFYOADPFKAYLH-HNNXBMFYSA-N -1 0 345.355 2.185 20 5 EEBDRM CC(C)(CO)[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccnc1 ZINC000597845132 468690966 /nfs/dbraw/zinc/69/09/66/468690966.db2.gz FVAADOOECYFVCM-OAHLLOKOSA-N -1 0 345.355 2.185 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000592953285 468827190 /nfs/dbraw/zinc/82/71/90/468827190.db2.gz WBJVMIDXBRMEPE-ZIAGYGMSSA-N -1 0 334.372 2.487 20 5 EEBDRM CN(C)c1cccc(CN(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000592977350 468832361 /nfs/dbraw/zinc/83/23/61/468832361.db2.gz SJLONRMZZQXULJ-UHFFFAOYSA-N -1 0 330.344 2.390 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)CCCCCC(=O)[O-] ZINC000584527876 468892518 /nfs/dbraw/zinc/89/25/18/468892518.db2.gz MZSLOAQVRLUYCA-UHFFFAOYSA-N -1 0 344.389 2.001 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2cccc3c2OCCC3)ccc1[N+](=O)[O-] ZINC000593278249 468926484 /nfs/dbraw/zinc/92/64/84/468926484.db2.gz IGBUUBOPCGPOPU-UHFFFAOYSA-N -1 0 349.368 2.424 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000598658384 468948799 /nfs/dbraw/zinc/94/87/99/468948799.db2.gz KLIKIUQNZJMOIU-HNNXBMFYSA-N -1 0 345.355 2.405 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000598662918 468950339 /nfs/dbraw/zinc/95/03/39/468950339.db2.gz XDRRBGNBANEMKJ-CYBMUJFWSA-N -1 0 346.343 2.234 20 5 EEBDRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000598662274 468950471 /nfs/dbraw/zinc/95/04/71/468950471.db2.gz VHXNFNXWGSAQMQ-SMDDNHRTSA-N -1 0 335.360 2.419 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593702755 469102238 /nfs/dbraw/zinc/10/22/38/469102238.db2.gz NLBOXYVEPVSAPR-LSDHHAIUSA-N -1 0 332.356 2.097 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C1CC1 ZINC000593703822 469102555 /nfs/dbraw/zinc/10/25/55/469102555.db2.gz PJXAKDNZXKULKX-NWDGAFQWSA-N -1 0 343.339 2.259 20 5 EEBDRM Cc1ccccc1OCCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574159138 469268904 /nfs/dbraw/zinc/26/89/04/469268904.db2.gz GHWFLDVBGSKJRA-UHFFFAOYSA-N -1 0 331.328 2.877 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599859821 469394492 /nfs/dbraw/zinc/39/44/92/469394492.db2.gz GQHFLEDLUKJSSG-SUNKGSAMSA-N -1 0 335.360 2.408 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c([N+](=O)[O-])n1 ZINC000435727808 517879656 /nfs/dbraw/zinc/87/96/56/517879656.db2.gz GBMILOXIKFGEHI-UHFFFAOYSA-N -1 0 348.743 2.405 20 5 EEBDRM O=C(NCCCN1CCc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159982685 534840301 /nfs/dbraw/zinc/84/03/01/534840301.db2.gz ZXKJWLJWOHSQIR-UHFFFAOYSA-N -1 0 341.367 2.483 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CCC(C(=O)[O-])CC1 ZINC000262823285 536952138 /nfs/dbraw/zinc/95/21/38/536952138.db2.gz QAQXBHXZNWANKU-UHFFFAOYSA-N -1 0 336.344 2.111 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SC[C@@H](C)C(=O)[O-] ZINC000738069145 577998274 /nfs/dbraw/zinc/99/82/74/577998274.db2.gz YHVAZJYTLPFTLC-BDAKNGLRSA-N -1 0 342.373 2.384 20 5 EEBDRM C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000737696206 576249782 /nfs/dbraw/zinc/24/97/82/576249782.db2.gz UITYFKZIAXYKPK-SDBXPKJASA-N -1 0 335.291 2.361 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1F ZINC000773363048 577336697 /nfs/dbraw/zinc/33/66/97/577336697.db2.gz DUFFZTFMKAKLSE-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000773986498 577376706 /nfs/dbraw/zinc/37/67/06/577376706.db2.gz AMHKXMXWMKCNBF-LBPRGKRZSA-N -1 0 344.364 2.365 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000755515171 577826002 /nfs/dbraw/zinc/82/60/02/577826002.db2.gz PYJIDCRSGLYCMX-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccn1 ZINC000742300358 577870607 /nfs/dbraw/zinc/87/06/07/577870607.db2.gz ZRQQRRPXBQMKAF-CYBMUJFWSA-N -1 0 336.373 2.060 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc([N+](=O)[O-])c1 ZINC000738668669 578023370 /nfs/dbraw/zinc/02/33/70/578023370.db2.gz DMYJVNXBKJUMAY-JTQLQIEISA-N -1 0 344.327 2.036 20 5 EEBDRM Cc1nn(CCC(=O)Oc2ccccc2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738922550 578031186 /nfs/dbraw/zinc/03/11/86/578031186.db2.gz KQFBVHLUTLQHQI-UHFFFAOYSA-N -1 0 333.300 2.102 20 5 EEBDRM O=C([O-])CCCc1nc(COc2cc(F)ccc2[N+](=O)[O-])no1 ZINC000739701813 578064731 /nfs/dbraw/zinc/06/47/31/578064731.db2.gz GVNOUNWBKKMVPA-UHFFFAOYSA-N -1 0 325.252 2.103 20 5 EEBDRM CC(C)(C)C[C@@H](O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736250108 578190117 /nfs/dbraw/zinc/19/01/17/578190117.db2.gz CSDWTSCSQVGFBH-SECBINFHSA-N -1 0 341.320 2.410 20 5 EEBDRM CCC(CC)[C@H](O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736895556 578228808 /nfs/dbraw/zinc/22/88/08/578228808.db2.gz SWJQWFKZZYUSAE-GFCCVEGCSA-N -1 0 341.320 2.410 20 5 EEBDRM CC[C@@H]1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736940030 578229881 /nfs/dbraw/zinc/22/98/81/578229881.db2.gz QCBZGRKGAADANZ-GFCCVEGCSA-N -1 0 349.387 2.426 20 5 EEBDRM CCc1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc(C)n1 ZINC000737251289 578246153 /nfs/dbraw/zinc/24/61/53/578246153.db2.gz CIBTYSAZKZNBKU-UHFFFAOYSA-N -1 0 330.300 2.206 20 5 EEBDRM COc1ccc(CC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000737985376 578275457 /nfs/dbraw/zinc/27/54/57/578275457.db2.gz WBTJIUXHMUBQRL-UHFFFAOYSA-N -1 0 344.323 2.412 20 5 EEBDRM O=C([O-])c1ccc(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000819687576 597292829 /nfs/dbraw/zinc/29/28/29/597292829.db2.gz TWVSEUFGKKCGLR-UHFFFAOYSA-N -1 0 335.337 2.408 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000820041705 598214459 /nfs/dbraw/zinc/21/44/59/598214459.db2.gz NMPDCLMASVHABW-SNVBAGLBSA-N -1 0 332.259 2.035 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000833188893 601148965 /nfs/dbraw/zinc/14/89/65/601148965.db2.gz JHHOCNZTOMQUFD-VIFPVBQESA-N -1 0 343.133 2.047 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000828671927 601479506 /nfs/dbraw/zinc/47/95/06/601479506.db2.gz IPYFSHRUNQZSOG-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1F ZINC000833125462 601746195 /nfs/dbraw/zinc/74/61/95/601746195.db2.gz WVOXUOAWOFAHRF-CYBMUJFWSA-N -1 0 336.250 2.429 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000833321657 601862224 /nfs/dbraw/zinc/86/22/24/601862224.db2.gz YFCWXNZXQQWYTB-UHFFFAOYSA-N -1 0 348.286 2.241 20 5 EEBDRM CC(C)C(=O)NCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000826658724 602250015 /nfs/dbraw/zinc/25/00/15/602250015.db2.gz YBZOICZABAAQGE-UHFFFAOYSA-N -1 0 329.740 2.131 20 5 EEBDRM Cc1cc(N2CCC[C@@H](N3CCCC3=O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889990 602318009 /nfs/dbraw/zinc/31/80/09/602318009.db2.gz CJODPRXKIDWOGG-GFCCVEGCSA-N -1 0 347.371 2.193 20 5 EEBDRM O=C([O-])CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000833238432 602349305 /nfs/dbraw/zinc/34/93/05/602349305.db2.gz BXIBDPOTINVYSQ-UHFFFAOYSA-N -1 0 331.284 2.096 20 5 EEBDRM O=C(NCc1nc(-c2cccs2)no1)c1cccc([N+](=O)[O-])c1[O-] ZINC000126752674 676576200 /nfs/dbraw/zinc/57/62/00/676576200.db2.gz RIJORZCBYLFCNG-UHFFFAOYSA-N -1 0 346.324 2.342 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(N(C)C)n1 ZINC000137205858 681788500 /nfs/dbraw/zinc/78/85/00/681788500.db2.gz GSBXOZQAKNPVEV-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cnc(C)s2)ccc1[N+](=O)[O-] ZINC000443470430 683762646 /nfs/dbraw/zinc/76/26/46/683762646.db2.gz VTIGEOAWTFVBRE-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccccc1C(=O)[O-] ZINC000915187200 684061646 /nfs/dbraw/zinc/06/16/46/684061646.db2.gz RFOBPLNOSVZDPE-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000263342330 689705490 /nfs/dbraw/zinc/70/54/90/689705490.db2.gz SHGFGQIIUXPAKP-JTQLQIEISA-N -1 0 332.316 2.008 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000263449156 689867740 /nfs/dbraw/zinc/86/77/40/689867740.db2.gz RXNIDIQEFRAYEV-AWEZNQCLSA-N -1 0 344.726 2.253 20 5 EEBDRM Cc1cc(N2CC(C[N-]C(=O)C(F)(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC000866293908 1201486388 /nfs/dbraw/zinc/48/63/88/1201486388.db2.gz HDMTZJPUDMCZPI-UHFFFAOYSA-N -1 0 335.257 2.157 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)nc2)cc([N+](=O)[O-])c1F ZINC000132555968 1202109876 /nfs/dbraw/zinc/10/98/76/1202109876.db2.gz PFOQHAHMXYIMJC-UHFFFAOYSA-N -1 0 329.284 2.377 20 5 EEBDRM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)[N-]OC1CCCCC1 ZINC000779321280 1209950132 /nfs/dbraw/zinc/95/01/32/1209950132.db2.gz WXFJTUCDDMBYFL-GFCCVEGCSA-N -1 0 339.396 2.208 20 5 EEBDRM COCCc1ccnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000795617768 1214408531 /nfs/dbraw/zinc/40/85/31/1214408531.db2.gz RVRRMBVFLPXCBT-UHFFFAOYSA-N -1 0 343.386 2.041 20 5 EEBDRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000133546238 1249094258 /nfs/dbraw/zinc/09/42/58/1249094258.db2.gz RABAEXYFESBMCB-ZETCQYMHSA-N -1 0 349.796 2.072 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC001226020799 1301235690 /nfs/dbraw/zinc/23/56/90/1301235690.db2.gz LRVFCGKARHDZLA-DTWKUNHWSA-N -1 0 325.321 2.225 20 5 EEBDRM C[C@H](Oc1[n-]c(=O)nc2cc[nH]c21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227805871 1301971079 /nfs/dbraw/zinc/97/10/79/1301971079.db2.gz AXOIMNUBQHNSDF-ZETCQYMHSA-N -1 0 344.283 2.440 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(OCCOC2CCCC2)cc1[O-] ZINC001228813805 1302464007 /nfs/dbraw/zinc/46/40/07/1302464007.db2.gz FVFBYXDJRZFUNZ-UHFFFAOYSA-N -1 0 325.317 2.425 20 5 EEBDRM CCOC(=O)N1CCC[C@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])C1 ZINC001228969892 1302550957 /nfs/dbraw/zinc/55/09/57/1302550957.db2.gz DUKCJEVTXYFNDK-JTQLQIEISA-N -1 0 326.305 2.006 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@H]2CC23CCC3)cccc1[N+](=O)[O-] ZINC000842404167 1315697939 /nfs/dbraw/zinc/69/79/39/1315697939.db2.gz OLQMHYDTNUIVTR-GFCCVEGCSA-N -1 0 338.385 2.039 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001601006452 1350187822 /nfs/dbraw/zinc/18/78/22/1350187822.db2.gz JAJIGIFNENESHI-FXQIFTODSA-N -1 0 348.281 2.037 20 5 EEBDRM CCCC[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001605242298 1351114044 /nfs/dbraw/zinc/11/40/44/1351114044.db2.gz ZHUDZDDMDZDNLM-GFCCVEGCSA-N -1 0 326.324 2.426 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001607709823 1351543896 /nfs/dbraw/zinc/54/38/96/1351543896.db2.gz SKDUYDRXEPQMHK-UHFFFAOYSA-N -1 0 329.312 2.395 20 5 EEBDRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccnc1[N+](=O)[O-] ZINC001307883476 1331554686 /nfs/dbraw/zinc/55/46/86/1331554686.db2.gz SSHPBIBHWZHMBS-ONGXEEELSA-N -1 0 346.309 2.021 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001608575860 1351719513 /nfs/dbraw/zinc/71/95/13/1351719513.db2.gz OLDKWMYZXVJENB-GFCCVEGCSA-N -1 0 347.140 2.356 20 5 EEBDRM O=C([O-])c1cc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cs1 ZINC001608842165 1351776743 /nfs/dbraw/zinc/77/67/43/1351776743.db2.gz BBGOWQIJMPAULV-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM O=C([O-])c1cc(NS(=O)(=O)C2=CCCCC2)cc([N+](=O)[O-])c1 ZINC001608856551 1351779858 /nfs/dbraw/zinc/77/98/58/1351779858.db2.gz CNDMIYFHBLVTCX-UHFFFAOYSA-N -1 0 326.330 2.493 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC[S@@](=O)CC(F)(F)F)c1 ZINC001608915107 1351793569 /nfs/dbraw/zinc/79/35/69/1351793569.db2.gz FBWZKENFRKAGSR-JOCHJYFZSA-N -1 0 340.279 2.016 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001608988510 1351808710 /nfs/dbraw/zinc/80/87/10/1351808710.db2.gz LNMLMXOTSFEHDS-UONOGXRCSA-N -1 0 330.296 2.306 20 5 EEBDRM O=C([O-])C1(COC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC001609017498 1351815543 /nfs/dbraw/zinc/81/55/43/1351815543.db2.gz RLPYLRPEQHSFBP-UHFFFAOYSA-N -1 0 331.227 2.218 20 5 EEBDRM CC[C@H](C)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001327018786 1334204695 /nfs/dbraw/zinc/20/46/95/1334204695.db2.gz SZYOPDWNHANZBC-VIFPVBQESA-N -1 0 330.362 2.102 20 5 EEBDRM C[C@H](CC(=O)[O-])CC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001609733605 1352071742 /nfs/dbraw/zinc/07/17/42/1352071742.db2.gz BPURBKGJFIJVNP-MRVPVSSYSA-N -1 0 326.261 2.047 20 5 EEBDRM CN(CC1=CCSC1)c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001339190505 1336972831 /nfs/dbraw/zinc/97/28/31/1336972831.db2.gz DPGRYYJMIRGFEY-UHFFFAOYSA-N -1 0 347.400 2.205 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001609925211 1352121231 /nfs/dbraw/zinc/12/12/31/1352121231.db2.gz PETXEWBVHIMZMR-NJZAAPMLSA-N -1 0 334.372 2.485 20 5 EEBDRM CCc1nn(C)c(NC[C@@H](C(=O)[O-])c2ccc(C)cc2)c1[N+](=O)[O-] ZINC001610073989 1352156298 /nfs/dbraw/zinc/15/62/98/1352156298.db2.gz SNLZZIIPLNXGBQ-GFCCVEGCSA-N -1 0 332.360 2.479 20 5 EEBDRM COC1(c2ccccc2)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001610229748 1352190616 /nfs/dbraw/zinc/19/06/16/1352190616.db2.gz UNPMMWPNEGAFLT-UHFFFAOYSA-N -1 0 329.312 2.050 20 5 EEBDRM COCc1nc(NC(=O)c2ccc([N+](=O)[O-])s2)sc1C(=O)[O-] ZINC001610274044 1352197929 /nfs/dbraw/zinc/19/79/29/1352197929.db2.gz PKFZBQONABKVLC-UHFFFAOYSA-N -1 0 343.342 2.210 20 5 EEBDRM C[C@@H]1CSCCN1c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001355661770 1338740483 /nfs/dbraw/zinc/74/04/83/1338740483.db2.gz OJZNCHYDVMEAQI-SECBINFHSA-N -1 0 335.389 2.038 20 5 EEBDRM O=C([O-])c1sccc1COC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001610671839 1352259315 /nfs/dbraw/zinc/25/93/15/1352259315.db2.gz VHJGKZDUXBEJSG-UHFFFAOYSA-N -1 0 337.309 2.477 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC001610694902 1352261054 /nfs/dbraw/zinc/26/10/54/1352261054.db2.gz WGOKMNIMGFWAJV-UHFFFAOYSA-N -1 0 349.730 2.314 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001610839877 1352283267 /nfs/dbraw/zinc/28/32/67/1352283267.db2.gz DMFVTXQNPHAXGW-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](CO)c2ccc(F)cc2)n1 ZINC001610841447 1352283689 /nfs/dbraw/zinc/28/36/89/1352283689.db2.gz FIEHOTPOJXSZIW-JTQLQIEISA-N -1 0 335.291 2.015 20 5 EEBDRM CC[C@@H](CC(F)(F)F)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590421151 1349316852 /nfs/dbraw/zinc/31/68/52/1349316852.db2.gz GQYCUBBENPSZIZ-LURJTMIESA-N -1 0 331.258 2.313 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nn[nH]n2)cc1 ZINC001593284059 1349763221 /nfs/dbraw/zinc/76/32/21/1349763221.db2.gz WEROPYDMYYWLRP-ZZXKWVIFSA-N -1 0 338.283 2.039 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCN2CCc3ccccc32)n1 ZINC001600105186 1349972249 /nfs/dbraw/zinc/97/22/49/1349972249.db2.gz BOPPPDBSORHYIL-UHFFFAOYSA-N -1 0 342.355 2.471 20 5 EEBDRM Cc1cc(N2CCC[C@@H](C(=O)NC3CC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240531 1349999737 /nfs/dbraw/zinc/99/97/37/1349999737.db2.gz VVSNPFPXWUZRNV-LLVKDONJSA-N -1 0 347.371 2.096 20 5 EEBDRM Cc1ccc([C@H](C)OC(=O)Cn2cc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001600486355 1350062823 /nfs/dbraw/zinc/06/28/23/1350062823.db2.gz KEMHAYBAVNUXET-JTQLQIEISA-N -1 0 333.300 2.102 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2ncc(C(=O)[O-])s2)c1 ZINC001600486681 1350063368 /nfs/dbraw/zinc/06/33/68/1350063368.db2.gz DRJINZRNJJIDAQ-UHFFFAOYSA-N -1 0 335.341 2.030 20 5 EEBDRM Cc1ccncc1[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600603273 1350095212 /nfs/dbraw/zinc/09/52/12/1350095212.db2.gz DUKPWQYWGHEYKX-SNVBAGLBSA-N -1 0 329.312 2.487 20 5 EEBDRM O=C([O-])c1ccc(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001601356462 1350265058 /nfs/dbraw/zinc/26/50/58/1350265058.db2.gz UNKMMVCRKKBDDH-UHFFFAOYSA-N -1 0 328.324 2.194 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC001601649042 1350328011 /nfs/dbraw/zinc/32/80/11/1350328011.db2.gz GPUHPSAXAJYHSN-AEGPPILISA-N -1 0 332.356 2.315 20 5 EEBDRM O=C([O-])/C=C\c1ccc(SCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC001601886476 1350390905 /nfs/dbraw/zinc/39/09/05/1350390905.db2.gz SVUWGRONMREWOC-RQOWECAXSA-N -1 0 338.385 2.117 20 5 EEBDRM O=C([O-])CCCCOC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC001601988682 1350411550 /nfs/dbraw/zinc/41/15/50/1350411550.db2.gz BPWKGOUYMVFYKM-UHFFFAOYSA-N -1 0 347.121 2.164 20 5 EEBDRM O=C([O-])COc1ccc(CN[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC001602082655 1350432886 /nfs/dbraw/zinc/43/28/86/1350432886.db2.gz BXNMUTVIXXYRFX-LBPRGKRZSA-N -1 0 330.287 2.336 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001602175143 1350458092 /nfs/dbraw/zinc/45/80/92/1350458092.db2.gz QCBHXTNOJAWWJG-AEGPPILISA-N -1 0 332.356 2.412 20 5 EEBDRM O=C([O-])c1cc(F)cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001602271615 1350482548 /nfs/dbraw/zinc/48/25/48/1350482548.db2.gz KGFPYWJEXSTSMP-UHFFFAOYSA-N -1 0 347.302 2.274 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2Cc3cccnc3C2)cc([N+](=O)[O-])c1 ZINC001602278134 1350484206 /nfs/dbraw/zinc/48/42/06/1350484206.db2.gz BJKQFWRNLHILDD-SNVBAGLBSA-N -1 0 327.296 2.042 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2cc(Cl)ccc2F)c1 ZINC001602298731 1350487779 /nfs/dbraw/zinc/48/77/79/1350487779.db2.gz AHVJHPSZTVXCNO-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(CCOc2ccc(Cl)cc2)c1=O ZINC001602300271 1350488129 /nfs/dbraw/zinc/48/81/29/1350488129.db2.gz FGUCNOCAYGCWNW-UHFFFAOYSA-N -1 0 338.703 2.187 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC001602402814 1350511317 /nfs/dbraw/zinc/51/13/17/1350511317.db2.gz HXNYJNPSTQVTDT-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@H]2CC(=O)c3ccccc3O2)c1[N+](=O)[O-] ZINC001602636449 1350563378 /nfs/dbraw/zinc/56/33/78/1350563378.db2.gz FPRNIOPLZQSNIL-VIFPVBQESA-N -1 0 343.295 2.134 20 5 EEBDRM CC(C)(C(=O)OCc1cnc(C(=O)[O-])cn1)c1ccccc1[N+](=O)[O-] ZINC001603294104 1350681986 /nfs/dbraw/zinc/68/19/86/1350681986.db2.gz VMQKITUJWPQMGK-UHFFFAOYSA-N -1 0 345.311 2.104 20 5 EEBDRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001604062526 1350843191 /nfs/dbraw/zinc/84/31/91/1350843191.db2.gz WPWGSHOZNOMCER-AIYRYJHASA-N -1 0 332.234 2.373 20 5 EEBDRM C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1nccc(N)n1 ZINC001604362361 1350923805 /nfs/dbraw/zinc/92/38/05/1350923805.db2.gz KXOQNHCSCIOLDE-HYYFJVDXSA-N -1 0 329.316 2.238 20 5 EEBDRM CC[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)C(=O)[O-] ZINC001605120564 1351081272 /nfs/dbraw/zinc/08/12/72/1351081272.db2.gz RYUNRERZCAZVHJ-YGRLFVJLSA-N -1 0 347.327 2.437 20 5 EEBDRM COC(=O)Cc1ccc(N2CCC3(C[C@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC001606480862 1351308705 /nfs/dbraw/zinc/30/87/05/1351308705.db2.gz JRENLNHQKRHNDM-LBPRGKRZSA-N -1 0 348.355 2.001 20 5 EEBDRM CO[C@@]1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CCOC1 ZINC001606720550 1351346242 /nfs/dbraw/zinc/34/62/42/1351346242.db2.gz OPNFQINRFNUAFT-CYBMUJFWSA-N -1 0 330.724 2.164 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1CCNc1ncc([N+](=O)[O-])cc1F ZINC001607120397 1351427456 /nfs/dbraw/zinc/42/74/56/1351427456.db2.gz BLXDKGIOUSHGNY-UHFFFAOYSA-N -1 0 335.291 2.490 20 5 EEBDRM COc1cccc([C@@](C)(CC(=O)[O-])NCc2onc(C)c2[N+](=O)[O-])c1 ZINC001607312966 1351471070 /nfs/dbraw/zinc/47/10/70/1351471070.db2.gz KLXYRVVKQZPAGQ-MRXNPFEDSA-N -1 0 349.343 2.380 20 5 EEBDRM COc1ccccc1C(=O)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001607335418 1351476827 /nfs/dbraw/zinc/47/68/27/1351476827.db2.gz ZFDJYOZBTWICCY-UHFFFAOYSA-N -1 0 345.263 2.090 20 5 EEBDRM C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1CC(=O)[O-] ZINC001607434671 1351494021 /nfs/dbraw/zinc/49/40/21/1351494021.db2.gz KCLMJQFHNIWFSC-NXEZZACHSA-N -1 0 331.328 2.259 20 5 EEBDRM C[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccccc1[N+](=O)[O-] ZINC001607460617 1351497524 /nfs/dbraw/zinc/49/75/24/1351497524.db2.gz WASKVFGPMFPILK-COPLHBTASA-N -1 0 336.344 2.184 20 5 EEBDRM Cc1c(OS(=O)(=O)c2ccsc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001607553998 1351514723 /nfs/dbraw/zinc/51/47/23/1351514723.db2.gz HIFYFRBNPMLOQN-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1cc2oc(=O)cc(Cn3cc([N+](=O)[O-])c(C(=O)[O-])n3)c2cc1C ZINC001607714546 1351544934 /nfs/dbraw/zinc/54/49/34/1351544934.db2.gz LYZAPMQAMDRIDF-UHFFFAOYSA-N -1 0 343.295 2.261 20 5 EEBDRM Cc1nccc([C@@H]2CCCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC001607986646 1351598379 /nfs/dbraw/zinc/59/83/79/1351598379.db2.gz HNGGDQJRYLWDDR-LLVKDONJSA-N -1 0 343.343 2.170 20 5 EEBDRM Cc1sc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC001608059494 1351616973 /nfs/dbraw/zinc/61/69/73/1351616973.db2.gz KPRIBGNVCTUYPH-RXMQYKEDSA-N -1 0 326.252 2.100 20 5 EEBDRM Nc1nccc([C@@H]2CCCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC001608277835 1351661718 /nfs/dbraw/zinc/66/17/18/1351661718.db2.gz OSJSMOZRLVOBLF-LLVKDONJSA-N -1 0 343.343 2.049 20 5 EEBDRM O=C([O-])C1(N(C(=O)CCNc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC001608312171 1351668728 /nfs/dbraw/zinc/66/87/28/1351668728.db2.gz VAROKWFLRRTRCO-UHFFFAOYSA-N -1 0 347.371 2.395 20 5 EEBDRM O=C(COC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC001608345599 1351675379 /nfs/dbraw/zinc/67/53/79/1351675379.db2.gz MZTPKOGXIJPPGO-HAQNSBGRSA-N -1 0 335.312 2.212 20 5 EEBDRM O=C([O-])c1cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccn1 ZINC001608472391 1351701778 /nfs/dbraw/zinc/70/17/78/1351701778.db2.gz CNFOLFTWYPSFLU-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C(NC[C@H]1CCCN1CC(F)(F)F)c1cccc([N+](=O)[O-])c1[O-] ZINC000830956450 1372359764 /nfs/dbraw/zinc/35/97/64/1372359764.db2.gz XZFVZFYMEIPEQH-SECBINFHSA-N -1 0 347.293 2.057 20 5 EEBDRM CCCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC ZINC000839057813 1372886035 /nfs/dbraw/zinc/88/60/35/1372886035.db2.gz NQUBQIQBXBUQFG-UHFFFAOYSA-N -1 0 343.405 2.412 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)=C1CCCC1 ZINC000815985690 783589891 /nfs/dbraw/zinc/58/98/91/783589891.db2.gz VVEHBKLWGYAGCF-UHFFFAOYSA-N -1 0 346.311 2.336 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000844218058 788905952 /nfs/dbraw/zinc/90/59/52/788905952.db2.gz MAPRCXYIMSSNFJ-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@]2(O)CCCc3ccccc32)n1 ZINC000844208372 788927850 /nfs/dbraw/zinc/92/78/50/788927850.db2.gz KNBYZFISSONCNO-QGZVFWFLSA-N -1 0 343.339 2.324 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@](C)(O)c2cccs2)n1 ZINC000844210851 788928623 /nfs/dbraw/zinc/92/86/23/788928623.db2.gz LPTUKBUVONAUBQ-CQSZACIVSA-N -1 0 337.357 2.378 20 5 EEBDRM Cc1cnn([C@@H]2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000844212430 788931010 /nfs/dbraw/zinc/93/10/10/788931010.db2.gz WUKLSVHFXOKJJO-CYBMUJFWSA-N -1 0 330.344 2.178 20 5 EEBDRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000844647220 789291777 /nfs/dbraw/zinc/29/17/77/789291777.db2.gz WZLPGTMAKRBDNY-CYBMUJFWSA-N -1 0 344.389 2.377 20 5 EEBDRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000036736384 794966094 /nfs/dbraw/zinc/96/60/94/794966094.db2.gz GEASOABEUHGELV-UHFFFAOYSA-N -1 0 330.753 2.389 20 5 EEBDRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000916185368 797542313 /nfs/dbraw/zinc/54/23/13/797542313.db2.gz ZJYYKYWGMAFTGK-UHFFFAOYSA-N -1 0 332.403 2.176 20 5 EEBDRM O=C(NC[C@]1(O)CCCc2ccccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000130487645 798021559 /nfs/dbraw/zinc/02/15/59/798021559.db2.gz HRIZQJBKTUYJFR-GOSISDBHSA-N -1 0 342.351 2.254 20 5 EEBDRM O=C([O-])c1cc(Nc2cccc3c2CC(=O)NC3)cc([N+](=O)[O-])c1 ZINC001176679621 798526084 /nfs/dbraw/zinc/52/60/84/798526084.db2.gz NFUJWGGIDDRICJ-UHFFFAOYSA-N -1 0 327.296 2.209 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000829833505 811000981 /nfs/dbraw/zinc/00/09/81/811000981.db2.gz BNLBUVPEQWELQK-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1cc(N[C@H]2C[C@@H](C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001600284617 970792907 /nfs/dbraw/zinc/79/29/07/970792907.db2.gz FZSPOANTQLGGQA-TXEJJXNPSA-N -1 0 328.328 2.057 20 5 EEBDRM CC[C@@H](OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC001589578191 948982084 /nfs/dbraw/zinc/98/20/84/948982084.db2.gz KSURQAZXIGIIOV-SNVBAGLBSA-N -1 0 326.261 2.140 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159005121 949373646 /nfs/dbraw/zinc/37/36/46/949373646.db2.gz SILPVMRZIRPYOO-UHFFFAOYSA-N -1 0 345.149 2.293 20 5 EEBDRM O=C([O-])c1cccc(COC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001595248225 949516961 /nfs/dbraw/zinc/51/69/61/949516961.db2.gz HBPHBAKVRZJGBJ-CQSZACIVSA-N -1 0 331.280 2.070 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC001595263883 949722476 /nfs/dbraw/zinc/72/24/76/949722476.db2.gz QUTWVJOBOYKDLU-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001595025012 951337132 /nfs/dbraw/zinc/33/71/32/951337132.db2.gz WLSBZGFIMKGINU-SNVBAGLBSA-N -1 0 344.327 2.002 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC001593609795 953458363 /nfs/dbraw/zinc/45/83/63/953458363.db2.gz KNXQARZHQPSVCU-UFBFGSQYSA-N -1 0 325.321 2.224 20 5 EEBDRM C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC001589375985 954254500 /nfs/dbraw/zinc/25/45/00/954254500.db2.gz QEVCIXSYJUMLFH-GXFFZTMASA-N -1 0 338.335 2.236 20 5 EEBDRM O=C([O-])C1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCC1 ZINC000852912993 955855475 /nfs/dbraw/zinc/85/54/75/955855475.db2.gz JCFMKYLQUNUGIP-UHFFFAOYSA-N -1 0 335.316 2.218 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC001589193762 956607609 /nfs/dbraw/zinc/60/76/09/956607609.db2.gz YRMUPLSKBPEDEU-UONOGXRCSA-N -1 0 332.356 2.412 20 5 EEBDRM COc1cc(C(=O)NC2(C(=O)[O-])CCCCC2)c([N+](=O)[O-])cc1F ZINC001594050349 957977865 /nfs/dbraw/zinc/97/78/65/957977865.db2.gz CGNJTNYIPQGWST-UHFFFAOYSA-N -1 0 340.307 2.260 20 5 EEBDRM COc1cc(OCc2nc(C3(C(=O)[O-])CCC3)no2)ccc1[N+](=O)[O-] ZINC001594067430 958148960 /nfs/dbraw/zinc/14/89/60/958148960.db2.gz AGEYVDPIKACRSN-UHFFFAOYSA-N -1 0 349.299 2.072 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001573653185 959655138 /nfs/dbraw/zinc/65/51/38/959655138.db2.gz XTLFFWDDSLLYPE-UHFFFAOYSA-N -1 0 345.355 2.263 20 5 EEBDRM CC(C)(CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001588767475 961248146 /nfs/dbraw/zinc/24/81/46/961248146.db2.gz HRFQZZPWHUXLLB-UHFFFAOYSA-N -1 0 330.287 2.304 20 5 EEBDRM O=C([O-])C[C@@H]1CCCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001574680264 962579007 /nfs/dbraw/zinc/57/90/07/962579007.db2.gz XMMKGMJJNPTWFS-NSHDSACASA-N -1 0 333.344 2.313 20 5 EEBDRM CN(CCC(=O)[O-])Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001604150833 972559930 /nfs/dbraw/zinc/55/99/30/972559930.db2.gz MFXVMRFUDBDQSC-UHFFFAOYSA-N -1 0 340.723 2.205 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC001603301353 972576374 /nfs/dbraw/zinc/57/63/74/972576374.db2.gz PJBRERSAPOXVNF-UHFFFAOYSA-N -1 0 331.328 2.403 20 5 EEBDRM O=C([O-])CSCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001606302096 973712527 /nfs/dbraw/zinc/71/25/27/973712527.db2.gz NNMDRNGGSFIATE-UHFFFAOYSA-N -1 0 338.263 2.370 20 5 EEBDRM COCCN(CCC(=O)[O-])c1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001604610427 973721313 /nfs/dbraw/zinc/72/13/13/973721313.db2.gz NFYARVUJULTBDI-UHFFFAOYSA-N -1 0 332.740 2.184 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000692404681 976447035 /nfs/dbraw/zinc/44/70/35/976447035.db2.gz RTALYQUBKJIBSZ-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001592290844 977617447 /nfs/dbraw/zinc/61/74/47/977617447.db2.gz LQLKFGNKYAHMLI-HNNXBMFYSA-N -1 0 338.385 2.447 20 5 EEBDRM CC[C@@H](COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC001595182825 979810075 /nfs/dbraw/zinc/81/00/75/979810075.db2.gz JQDJTZYYOYYJBY-JTQLQIEISA-N -1 0 333.300 2.048 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000864202200 979881049 /nfs/dbraw/zinc/88/10/49/979881049.db2.gz PICGEJQFHJEGKR-NHYWBVRUSA-N -1 0 348.355 2.228 20 5 EEBDRM C[C@](NC(=O)/C=C/c1cccnc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593010350 980242231 /nfs/dbraw/zinc/24/22/31/980242231.db2.gz FRTKLOQFIOJNGZ-IWAYRVGRSA-N -1 0 341.323 2.119 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000901515081 980331390 /nfs/dbraw/zinc/33/13/90/980331390.db2.gz KOCPCAYENALNSS-ZDUSSCGKSA-N -1 0 334.250 2.195 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000901891537 980605276 /nfs/dbraw/zinc/60/52/76/980605276.db2.gz SLUDRCPIOYDTMO-JTQLQIEISA-N -1 0 330.793 2.498 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000901891538 980605460 /nfs/dbraw/zinc/60/54/60/980605460.db2.gz SLUDRCPIOYDTMO-SNVBAGLBSA-N -1 0 330.793 2.498 20 5 EEBDRM CC[C@H]1[C@@H](C)CCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595404935 980984287 /nfs/dbraw/zinc/98/42/87/980984287.db2.gz NDHPCDSJOLUGHY-CABZTGNLSA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@@H](C)C[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OC ZINC001594953999 982684077 /nfs/dbraw/zinc/68/40/77/982684077.db2.gz XXIPBGQEUGIQMX-LDYMZIIASA-N -1 0 339.348 2.386 20 5 EEBDRM CCN(C(=O)CSc1ccccc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC001596142914 983495277 /nfs/dbraw/zinc/49/52/77/983495277.db2.gz FXYARPQWFGSXOM-UHFFFAOYSA-N -1 0 326.374 2.399 20 5 EEBDRM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC001596143454 983496927 /nfs/dbraw/zinc/49/69/27/983496927.db2.gz OSTDNWREIMPJFL-UHFFFAOYSA-N -1 0 335.341 2.345 20 5 EEBDRM Cc1c(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)cccc1[N+](=O)[O-] ZINC001599978521 986129062 /nfs/dbraw/zinc/12/90/62/986129062.db2.gz HEFGOZLPWWFKBZ-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM CCO[C@@H]1C[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]1SC ZINC001596980163 986228663 /nfs/dbraw/zinc/22/86/63/986228663.db2.gz YMCHPDCNKIHHBW-IEBDPFPHSA-N -1 0 327.362 2.009 20 5 EEBDRM C[C@@H]1COCC[C@H]1Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594605227 986565258 /nfs/dbraw/zinc/56/52/58/986565258.db2.gz YVXZFOYHIJRZKS-GMSGAONNSA-N -1 0 325.277 2.038 20 5 EEBDRM CC(C)(C(=O)N[C@H](CC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC001589564337 987327547 /nfs/dbraw/zinc/32/75/47/987327547.db2.gz VEPQGFRQWJSQGC-CYBMUJFWSA-N -1 0 338.335 2.381 20 5 EEBDRM CC(C)(C)OC(=O)CCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001589874035 988524976 /nfs/dbraw/zinc/52/49/76/988524976.db2.gz GOZDUWRJHXJNFS-UHFFFAOYSA-N -1 0 325.321 2.222 20 5 EEBDRM CN(CC1CCOCC1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001598461318 991956590 /nfs/dbraw/zinc/95/65/90/991956590.db2.gz GBYZNGFWONSQAK-UHFFFAOYSA-N -1 0 339.304 2.064 20 5 EEBDRM COc1cccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001599641517 994366358 /nfs/dbraw/zinc/36/63/58/994366358.db2.gz QYDVKPDKRONSPK-QGZVFWFLSA-N -1 0 344.323 2.333 20 5 EEBDRM COC[C@]1(C)CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC001599194132 997183461 /nfs/dbraw/zinc/18/34/61/997183461.db2.gz ASCCAZCTLHMQMZ-AWEZNQCLSA-N -1 0 344.751 2.188 20 5 EEBDRM COC(=O)c1cc(C(=O)OCc2occc2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001598926492 997656504 /nfs/dbraw/zinc/65/65/04/997656504.db2.gz MHHPRZNMPXRDMC-UHFFFAOYSA-N -1 0 349.251 2.030 20 5 EEBDRM C[C@@]1(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC001594052715 997760267 /nfs/dbraw/zinc/76/02/67/997760267.db2.gz KGYCDNXUPLIGBQ-BDJLRTHQSA-N -1 0 338.335 2.426 20 5 EEBDRM COc1c(F)nccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599342230 997942264 /nfs/dbraw/zinc/94/22/64/997942264.db2.gz JSOOARXDNCQFLU-UHFFFAOYSA-N -1 0 335.247 2.088 20 5 EEBDRM COc1cc(C(=O)NCCCCCC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001599353878 998143887 /nfs/dbraw/zinc/14/38/87/998143887.db2.gz CLRKIDHJZPAVSU-UHFFFAOYSA-N -1 0 328.296 2.117 20 5 EEBDRM COC(=O)c1cc(Oc2ncc([N+](=O)[O-])cc2F)cc(C(=O)[O-])c1 ZINC001598950710 998146103 /nfs/dbraw/zinc/14/61/03/998146103.db2.gz JHARARFJEXIIAN-UHFFFAOYSA-N -1 0 336.231 2.406 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001594152836 998543902 /nfs/dbraw/zinc/54/39/02/998543902.db2.gz JQEGWEZDTDQPTQ-KWQFWETISA-N -1 0 341.751 2.253 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC001598988428 998715719 /nfs/dbraw/zinc/71/57/19/998715719.db2.gz QPBFLVUKYSDDAF-ZBEGNZNMSA-N -1 0 334.328 2.073 20 5 EEBDRM C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001594400545 999498888 /nfs/dbraw/zinc/49/88/88/999498888.db2.gz HVCCTXUNFDOCAR-HZMBPMFUSA-N -1 0 338.335 2.378 20 5 EEBDRM CCC(CC)(CNC(=O)NCCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000424406382 282100064 /nfs/dbraw/zinc/10/00/64/282100064.db2.gz JIDFELCUHUWMGK-UHFFFAOYSA-N -1 0 337.376 2.328 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000262436283 304044124 /nfs/dbraw/zinc/04/41/24/304044124.db2.gz FKXOIGHDHTTYTG-UHFFFAOYSA-N -1 0 347.371 2.322 20 5 EEBDRM CCC[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263155254 535346366 /nfs/dbraw/zinc/34/63/66/535346366.db2.gz JJJKEQOWXBJHPK-NSHDSACASA-N -1 0 335.360 2.400 20 5 EEBDRM CN([C@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281752220 201326428 /nfs/dbraw/zinc/32/64/28/201326428.db2.gz FRAGMDCIOPMAAH-GFCCVEGCSA-N -1 0 344.389 2.105 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000237657318 242743166 /nfs/dbraw/zinc/74/31/66/242743166.db2.gz CHIJLNOCHHODII-KRWDZBQOSA-N -1 0 347.371 2.132 20 5 EEBDRM O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000456339352 244220239 /nfs/dbraw/zinc/22/02/39/244220239.db2.gz XNELUOCEORROCS-XJKSGUPXSA-N -1 0 343.339 2.346 20 5 EEBDRM CC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262743929 245155340 /nfs/dbraw/zinc/15/53/40/245155340.db2.gz HGMRATYWMXQQMA-MRVPVSSYSA-N -1 0 332.765 2.320 20 5 EEBDRM C[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](C(=O)[O-])C1 ZINC000263046014 245308747 /nfs/dbraw/zinc/30/87/47/245308747.db2.gz PPJINBLCIGOKKH-IAQYHMDHSA-N -1 0 345.355 2.261 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000238075222 304183454 /nfs/dbraw/zinc/18/34/54/304183454.db2.gz PDLRQMNVYOFIEU-LBPRGKRZSA-N -1 0 347.371 2.132 20 5 EEBDRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492156072 246329168 /nfs/dbraw/zinc/32/91/68/246329168.db2.gz OJYGKZHWGQPOLD-KKTNHOPESA-N -1 0 348.355 2.090 20 5 EEBDRM O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274691514 256379630 /nfs/dbraw/zinc/37/96/30/256379630.db2.gz MRMNMPXNZRRLLV-UHFFFAOYSA-N -1 0 332.316 2.170 20 5 EEBDRM COC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356616096 141026682 /nfs/dbraw/zinc/02/66/82/141026682.db2.gz FQNQHKYIBKAMEE-CQSZACIVSA-N -1 0 330.340 2.288 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000116453994 152051249 /nfs/dbraw/zinc/05/12/49/152051249.db2.gz OZOCAPVQXJNFEW-AAEUAGOBSA-N -1 0 349.387 2.114 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000262577388 152293088 /nfs/dbraw/zinc/29/30/88/152293088.db2.gz DVLQQJOJRYYZFZ-SECBINFHSA-N -1 0 333.344 2.247 20 5 EEBDRM CCOC(=O)c1cc(N2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000263189989 152398671 /nfs/dbraw/zinc/39/86/71/152398671.db2.gz LCTYDBUZGSDLRV-WDEREUQCSA-N -1 0 336.344 2.319 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000262192055 160444026 /nfs/dbraw/zinc/44/40/26/160444026.db2.gz UNKFFKOJXZRUJR-GFCCVEGCSA-N -1 0 347.352 2.311 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2ccccc2c(=O)[nH]1 ZINC000089531804 159182462 /nfs/dbraw/zinc/18/24/62/159182462.db2.gz ZLMYYJLQFPSCNO-UHFFFAOYSA-N -1 0 325.280 2.394 20 5 EEBDRM CCC[C@@H](C)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1=O ZINC000092545935 159222360 /nfs/dbraw/zinc/22/23/60/159222360.db2.gz QVNXNOWLZFZAOO-MNOVXSKESA-N -1 0 335.360 2.276 20 5 EEBDRM CC(=O)N[C@H](CC(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000341578909 160999023 /nfs/dbraw/zinc/99/90/23/160999023.db2.gz XABHIUPCSKEVPC-LLVKDONJSA-N -1 0 343.767 2.443 20 5 EEBDRM C[S@@](=O)Cc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000343941350 161182635 /nfs/dbraw/zinc/18/26/35/161182635.db2.gz BFUWETBQGKTUML-XMMPIXPASA-N -1 0 348.380 2.109 20 5 EEBDRM CC(C)c1nnc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC000345654761 161319942 /nfs/dbraw/zinc/31/99/42/161319942.db2.gz DCCLNUCJBOSFSA-UHFFFAOYSA-N -1 0 336.373 2.248 20 5 EEBDRM O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000352391610 162118442 /nfs/dbraw/zinc/11/84/42/162118442.db2.gz QTHXBZMSQHQFLW-GFCCVEGCSA-N -1 0 348.330 2.021 20 5 EEBDRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cc1 ZINC000359400556 164127455 /nfs/dbraw/zinc/12/74/55/164127455.db2.gz RIGSQFMXNIUPJE-UHFFFAOYSA-N -1 0 349.368 2.051 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000359417877 164130058 /nfs/dbraw/zinc/13/00/58/164130058.db2.gz KETPLKJOGWVIMM-UHFFFAOYSA-N -1 0 329.284 2.150 20 5 EEBDRM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000154418583 292522364 /nfs/dbraw/zinc/52/23/64/292522364.db2.gz DJOQCMKWUBILSQ-UHFFFAOYSA-N -1 0 327.296 2.437 20 5 EEBDRM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000275264873 269105920 /nfs/dbraw/zinc/10/59/20/269105920.db2.gz JFYTZMFIXZNVBP-CYBMUJFWSA-N -1 0 344.389 2.023 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C(N)=O ZINC000172183774 273990587 /nfs/dbraw/zinc/99/05/87/273990587.db2.gz CNERWUKPRMWRRH-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1ccc(-c2nc([N-]C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])n[nH]2)o1 ZINC000269510561 274115416 /nfs/dbraw/zinc/11/54/16/274115416.db2.gz CKPRRMDZSQMUCG-UHFFFAOYSA-N -1 0 345.319 2.380 20 5 EEBDRM COC(=O)C1(N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCCC1 ZINC000274768339 274220772 /nfs/dbraw/zinc/22/07/72/274220772.db2.gz HVQSTMSALSJHJT-UHFFFAOYSA-N -1 0 336.344 2.248 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCC(=O)[O-])CC(C)C ZINC000275130441 274225077 /nfs/dbraw/zinc/22/50/77/274225077.db2.gz NSCTYBLDUSBUCQ-UHFFFAOYSA-N -1 0 344.389 2.025 20 5 EEBDRM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000279241043 274458864 /nfs/dbraw/zinc/45/88/64/274458864.db2.gz HCPRZUAXIDLPAW-LLVKDONJSA-N -1 0 346.343 2.180 20 5 EEBDRM CCC(CC)(CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])OC ZINC000292045230 275367403 /nfs/dbraw/zinc/36/74/03/275367403.db2.gz ZWPVGSSVSWWXGM-UHFFFAOYSA-N -1 0 346.405 2.087 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000297364649 294223487 /nfs/dbraw/zinc/22/34/87/294223487.db2.gz SGEBYTFLDFKWAS-GFCCVEGCSA-N -1 0 347.371 2.274 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000263399862 297215765 /nfs/dbraw/zinc/21/57/65/297215765.db2.gz ZVNWFFZGGATWCB-RKDXNWHRSA-N -1 0 326.736 2.431 20 5 EEBDRM COc1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000325801541 311602657 /nfs/dbraw/zinc/60/26/57/311602657.db2.gz OEELEONMVVTRNG-UHFFFAOYSA-N -1 0 336.344 2.320 20 5 EEBDRM CCOc1cnc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cn1 ZINC000350701176 312340086 /nfs/dbraw/zinc/34/00/86/312340086.db2.gz UTCUCKHLVXUGRT-UHFFFAOYSA-N -1 0 329.272 2.206 20 5 EEBDRM O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436951948 315016144 /nfs/dbraw/zinc/01/61/44/315016144.db2.gz HMDYNSHOAGMSKF-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM CCOC(=O)c1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1C ZINC000436965493 315017242 /nfs/dbraw/zinc/01/72/42/315017242.db2.gz SGXTYKFMSJZURQ-UHFFFAOYSA-N -1 0 333.300 2.068 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)OC(C)C ZINC000437002126 315022680 /nfs/dbraw/zinc/02/26/80/315022680.db2.gz QXQXOHKJCBMKFN-ZDUSSCGKSA-N -1 0 338.360 2.397 20 5 EEBDRM Cc1nc(=NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s[n-]1 ZINC000440298676 315123059 /nfs/dbraw/zinc/12/30/59/315123059.db2.gz QXAFLCZQOPHOCJ-UHFFFAOYSA-N -1 0 332.263 2.448 20 5 EEBDRM O=C([O-])c1ccc(F)c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000537404472 318017176 /nfs/dbraw/zinc/01/71/76/318017176.db2.gz XBHUIPWFKFPACU-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](n3ccnc3)C2)n1 ZINC000563205565 318983675 /nfs/dbraw/zinc/98/36/75/318983675.db2.gz LLJIQUQETOGGDN-GWCFXTLKSA-N -1 0 345.359 2.280 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000565382081 319177832 /nfs/dbraw/zinc/17/78/32/319177832.db2.gz QNPDGLJULIOZNG-HNNXBMFYSA-N -1 0 349.387 2.470 20 5 EEBDRM COc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1C(=O)[O-] ZINC000566290397 319269558 /nfs/dbraw/zinc/26/95/58/319269558.db2.gz HEFGPWROBFYHHW-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(CC(F)(F)F)CC2)n1 ZINC000571884341 319796302 /nfs/dbraw/zinc/79/63/02/319796302.db2.gz PRTMLIGYYKYZGQ-UHFFFAOYSA-N -1 0 348.281 2.127 20 5 EEBDRM O=C([O-])c1ccnc(NCCSCC(F)(F)F)c1[N+](=O)[O-] ZINC000572004313 319806621 /nfs/dbraw/zinc/80/66/21/319806621.db2.gz ZIGUCDMOUHEOBZ-UHFFFAOYSA-N -1 0 325.268 2.395 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000574417402 320023941 /nfs/dbraw/zinc/02/39/41/320023941.db2.gz GKTYSQARFKTZFU-ZDUSSCGKSA-N -1 0 336.388 2.318 20 5 EEBDRM CCO[C@@H]1C[C@](O)(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000581074227 324181784 /nfs/dbraw/zinc/18/17/84/324181784.db2.gz KZOWBGWHDCFGJG-CJNGLKHVSA-N -1 0 338.360 2.271 20 5 EEBDRM C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000582905304 324554528 /nfs/dbraw/zinc/55/45/28/324554528.db2.gz KTCHDLWLZLELIK-CABZTGNLSA-N -1 0 340.763 2.360 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000325744355 465029776 /nfs/dbraw/zinc/02/97/76/465029776.db2.gz QKMVXCQIGINDKB-UHFFFAOYSA-N -1 0 330.296 2.239 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000326341114 465036868 /nfs/dbraw/zinc/03/68/68/465036868.db2.gz BLVMNKOYVCIMBT-RJCXONEISA-N -1 0 330.340 2.320 20 5 EEBDRM COC(=O)C[C@](C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccn1 ZINC000339089758 465076110 /nfs/dbraw/zinc/07/61/10/465076110.db2.gz BHTKYQQBBMKXAI-KRWDZBQOSA-N -1 0 345.355 2.264 20 5 EEBDRM NC(=O)Nc1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000337016887 465148717 /nfs/dbraw/zinc/14/87/17/465148717.db2.gz RTSQKNOAGPEKPJ-UHFFFAOYSA-N -1 0 344.283 2.036 20 5 EEBDRM CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000063850112 462676944 /nfs/dbraw/zinc/67/69/44/462676944.db2.gz QYXRWGBJVAOUGM-UHFFFAOYSA-N -1 0 336.373 2.483 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)OCc2ccccc23)n1 ZINC000579112763 468312648 /nfs/dbraw/zinc/31/26/48/468312648.db2.gz KLWFENCFQMUMHF-QGZVFWFLSA-N -1 0 341.323 2.324 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2c([nH]c1=O)CCCC2 ZINC000092549907 462962267 /nfs/dbraw/zinc/96/22/67/462962267.db2.gz KMPIGENWRKORRK-UHFFFAOYSA-N -1 0 329.312 2.120 20 5 EEBDRM COc1ccnc(N2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000093078848 463006268 /nfs/dbraw/zinc/00/62/68/463006268.db2.gz CTOXFCAHBFDGLX-UHFFFAOYSA-N -1 0 344.371 2.026 20 5 EEBDRM Cc1noc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)n1 ZINC000157619910 463150496 /nfs/dbraw/zinc/15/04/96/463150496.db2.gz IDYABHQJRVZBBN-SNVBAGLBSA-N -1 0 332.316 2.012 20 5 EEBDRM COc1cccc2c1CCN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000579359111 468348236 /nfs/dbraw/zinc/34/82/36/468348236.db2.gz DQVDKSJMMXSAMI-UHFFFAOYSA-N -1 0 343.339 2.302 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000152049176 463635317 /nfs/dbraw/zinc/63/53/17/463635317.db2.gz LSRRYCOHPMCPRO-RYUDHWBXSA-N -1 0 349.387 2.114 20 5 EEBDRM CCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](CC)C(=O)OCC ZINC000276902294 463799116 /nfs/dbraw/zinc/79/91/16/463799116.db2.gz NRURIQYCFLYKFE-LBPRGKRZSA-N -1 0 338.360 2.494 20 5 EEBDRM CCCC[C@H](NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261853000 463878822 /nfs/dbraw/zinc/87/88/22/463878822.db2.gz JOTHUEAIZISYOS-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM COc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000263512589 464120648 /nfs/dbraw/zinc/12/06/48/464120648.db2.gz CTYZRCKKKUJNBZ-GFCCVEGCSA-N -1 0 338.360 2.389 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC000263583283 464134121 /nfs/dbraw/zinc/13/41/21/464134121.db2.gz ZSXOPXPPZIRZEG-GFCCVEGCSA-N -1 0 331.328 2.372 20 5 EEBDRM COCc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC000180789112 464395974 /nfs/dbraw/zinc/39/59/74/464395974.db2.gz CDPOUPZIZVFOMK-UHFFFAOYSA-N -1 0 327.680 2.341 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2noc(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000182944079 464763049 /nfs/dbraw/zinc/76/30/49/464763049.db2.gz MAVLCPAPCPNXLE-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM Cn1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)n2)cn1 ZINC000176880658 464873837 /nfs/dbraw/zinc/87/38/37/464873837.db2.gz WARRAGZSCDAPSE-UHFFFAOYSA-N -1 0 345.340 2.410 20 5 EEBDRM Cn1ccnc1[C@H]1N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1(C)C ZINC000295860053 464988488 /nfs/dbraw/zinc/98/84/88/464988488.db2.gz KQQZGGKODDQYNH-CYBMUJFWSA-N -1 0 330.344 2.257 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)CCc2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000338030934 465765034 /nfs/dbraw/zinc/76/50/34/465765034.db2.gz SGEHRQQNPFDDLF-SECBINFHSA-N -1 0 336.373 2.147 20 5 EEBDRM CO[C@@H]1C[C@H](N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C12CCC2 ZINC000597160657 468464265 /nfs/dbraw/zinc/46/42/65/468464265.db2.gz IGOKFLLWRHIFMW-UONOGXRCSA-N -1 0 348.355 2.323 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCCN(CC(F)(F)F)CC1 ZINC000332369730 466530146 /nfs/dbraw/zinc/53/01/46/466530146.db2.gz WNTLGWVWXONNHS-UHFFFAOYSA-N -1 0 333.310 2.370 20 5 EEBDRM CC(C)n1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000319602549 466597462 /nfs/dbraw/zinc/59/74/62/466597462.db2.gz YEFWJEUPCZSDFO-UHFFFAOYSA-N -1 0 328.325 2.312 20 5 EEBDRM CN(Cc1cn2c(n1)CCCC2)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000372868777 466623069 /nfs/dbraw/zinc/62/30/69/466623069.db2.gz ZYMHDQMPXHDUBF-UHFFFAOYSA-N -1 0 330.344 2.105 20 5 EEBDRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000324708371 466649256 /nfs/dbraw/zinc/64/92/56/466649256.db2.gz CDEKSYODFJGPQH-OAHLLOKOSA-N -1 0 326.308 2.419 20 5 EEBDRM CCC(CC)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000424366801 467033700 /nfs/dbraw/zinc/03/37/00/467033700.db2.gz JRJJAKCOLZWPFN-UHFFFAOYSA-N -1 0 344.389 2.073 20 5 EEBDRM Nc1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000378474407 467314625 /nfs/dbraw/zinc/31/46/25/467314625.db2.gz MYERYFRPGFTOAV-ZDUSSCGKSA-N -1 0 341.323 2.001 20 5 EEBDRM O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000392193010 467424924 /nfs/dbraw/zinc/42/49/24/467424924.db2.gz PCLQSEQVSLAOII-YDZSZYSISA-N -1 0 340.335 2.420 20 5 EEBDRM O=C([O-])c1cn(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1 ZINC000392211334 467425349 /nfs/dbraw/zinc/42/53/49/467425349.db2.gz OHBMOSYXJHNRJJ-UHFFFAOYSA-N -1 0 345.237 2.015 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c([N+](=O)[O-])n1 ZINC000436157747 467518244 /nfs/dbraw/zinc/51/82/44/467518244.db2.gz ZOINSOVHRMGPOF-UHFFFAOYSA-N -1 0 349.372 2.402 20 5 EEBDRM O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436792063 467554659 /nfs/dbraw/zinc/55/46/59/467554659.db2.gz UTCLFXBRJWIIGQ-GFCCVEGCSA-N -1 0 348.330 2.021 20 5 EEBDRM CN(CCC[N@H+](C)Cc1ccco1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000514674720 467947583 /nfs/dbraw/zinc/94/75/83/467947583.db2.gz GDAUELDHJRWQSZ-UHFFFAOYSA-N -1 0 348.359 2.239 20 5 EEBDRM CC(C)[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000515655533 468000469 /nfs/dbraw/zinc/00/04/69/468000469.db2.gz KHAHCRPADFLZMV-NWDGAFQWSA-N -1 0 325.365 2.389 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@]2(C)CCO[C@H]2C2CC2)n1 ZINC000574920032 468132917 /nfs/dbraw/zinc/13/29/17/468132917.db2.gz VPVUHLLGESXTBA-XJKSGUPXSA-N -1 0 335.360 2.614 20 5 EEBDRM CCOc1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000533190108 468178673 /nfs/dbraw/zinc/17/86/73/468178673.db2.gz ZVAVRQNBQJDEOE-LLVKDONJSA-N -1 0 336.344 2.320 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000567902650 468234364 /nfs/dbraw/zinc/23/43/64/468234364.db2.gz VAYOWHWYPXBSOZ-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000567983639 468250158 /nfs/dbraw/zinc/25/01/58/468250158.db2.gz MEAFJRORDINMRG-KRWDZBQOSA-N -1 0 345.355 2.461 20 5 EEBDRM CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1c(C)noc1C ZINC000534509763 468261538 /nfs/dbraw/zinc/26/15/38/468261538.db2.gz NMYPQENNKRRKRV-SNVBAGLBSA-N -1 0 340.361 2.024 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2nc(C3CC3)ncc2C1 ZINC000600419622 468552885 /nfs/dbraw/zinc/55/28/85/468552885.db2.gz KMXCMNHZNIGMCT-UHFFFAOYSA-N -1 0 340.339 2.166 20 5 EEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nccc(C2CC2)n1 ZINC000600667133 468614449 /nfs/dbraw/zinc/61/44/49/468614449.db2.gz APEZVNPSKHHDKR-UHFFFAOYSA-N -1 0 334.357 2.204 20 5 EEBDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600876836 468673376 /nfs/dbraw/zinc/67/33/76/468673376.db2.gz IHSGHJGAWPTMHU-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM Cc1sc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(C)n2)nc1C(=O)[O-] ZINC000570805019 468695568 /nfs/dbraw/zinc/69/55/68/468695568.db2.gz JPMZYXAXLIQURT-VIFPVBQESA-N -1 0 349.372 2.498 20 5 EEBDRM CCc1nn(C)c(CC)c1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000571214186 468756147 /nfs/dbraw/zinc/75/61/47/468756147.db2.gz VUOFWKZFRAAHJN-UHFFFAOYSA-N -1 0 333.348 2.158 20 5 EEBDRM COc1ccc(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1F ZINC000592972190 468831709 /nfs/dbraw/zinc/83/17/09/468831709.db2.gz WFCYLMBOGONCKY-UHFFFAOYSA-N -1 0 349.318 2.799 20 5 EEBDRM O=C([O-])c1ccnc(N[C@@H]2CCO[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000592977583 468833034 /nfs/dbraw/zinc/83/30/34/468833034.db2.gz WNBWXCGSPKNTDV-DGCLKSJQSA-N -1 0 344.327 2.415 20 5 EEBDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccncc1[N+](=O)[O-] ZINC000592980984 468833609 /nfs/dbraw/zinc/83/36/09/468833609.db2.gz JQRKPOKVMZFIRV-LBPRGKRZSA-N -1 0 342.355 2.403 20 5 EEBDRM CCOC1CC2(C1)CCN(c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000592979313 468833870 /nfs/dbraw/zinc/83/38/70/468833870.db2.gz GBQSOJSVXXXFEX-UHFFFAOYSA-N -1 0 335.360 2.392 20 5 EEBDRM CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598485582 468884011 /nfs/dbraw/zinc/88/40/11/468884011.db2.gz REMJQCHPHFVHAE-XJKSGUPXSA-N -1 0 336.344 2.152 20 5 EEBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]1C(F)(F)F ZINC000601517769 468904737 /nfs/dbraw/zinc/90/47/37/468904737.db2.gz CJNZZEKORRKPLR-IYSWYEEDSA-N -1 0 344.698 2.477 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000572721954 468980523 /nfs/dbraw/zinc/98/05/23/468980523.db2.gz KODZKAIBRYANST-KCJUWKMLSA-N -1 0 326.736 2.431 20 5 EEBDRM CC[C@H](C)C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000572963656 469031903 /nfs/dbraw/zinc/03/19/03/469031903.db2.gz KRUZUALJZNXSTG-UFBFGSQYSA-N -1 0 334.332 2.090 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000586502984 469050370 /nfs/dbraw/zinc/05/03/70/469050370.db2.gz OLSFLUBWTNQMJJ-QMMMGPOBSA-N -1 0 342.311 2.373 20 5 EEBDRM O=C([O-])CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000610846045 469087677 /nfs/dbraw/zinc/08/76/77/469087677.db2.gz WMHKNZFHAHLVIS-UHFFFAOYSA-N -1 0 346.343 2.331 20 5 EEBDRM CC(C)C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)CC(=O)[O-] ZINC000593755767 469125488 /nfs/dbraw/zinc/12/54/88/469125488.db2.gz QZKGOCGCVAUKLJ-JTQLQIEISA-N -1 0 348.359 2.793 20 5 EEBDRM O=C([O-])[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1C1CC1 ZINC000593758243 469125673 /nfs/dbraw/zinc/12/56/73/469125673.db2.gz HEZBCBYKPVBLIW-QWHCGFSZSA-N -1 0 328.328 2.085 20 5 EEBDRM O=c1[nH]ccc(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000596084227 469146165 /nfs/dbraw/zinc/14/61/65/469146165.db2.gz YENGMZDSOLFYJJ-STQMWFEESA-N -1 0 326.356 2.268 20 5 EEBDRM C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C(=O)[O-])C1 ZINC000563287729 469220525 /nfs/dbraw/zinc/22/05/25/469220525.db2.gz CTTZABVZIFDWQM-GXFFZTMASA-N -1 0 346.343 2.330 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccnn1C ZINC000616021849 469354858 /nfs/dbraw/zinc/35/48/58/469354858.db2.gz XBWCJUYVOXSBPW-GFCCVEGCSA-N -1 0 332.360 2.204 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000619542765 469634759 /nfs/dbraw/zinc/63/47/59/469634759.db2.gz RPVRDPMIYWMKBW-AWEZNQCLSA-N -1 0 347.302 2.359 20 5 EEBDRM CCOc1nc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)co1 ZINC000614264223 469895448 /nfs/dbraw/zinc/89/54/48/469895448.db2.gz LOISNGDQPAOGOI-UHFFFAOYSA-N -1 0 344.287 2.019 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccc(O)cc2CC1 ZINC000614265224 469895481 /nfs/dbraw/zinc/89/54/81/469895481.db2.gz UNTZXBMYCXLMRL-UHFFFAOYSA-N -1 0 328.324 2.247 20 5 EEBDRM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000610164003 469985023 /nfs/dbraw/zinc/98/50/23/469985023.db2.gz VPBQOWJOQAKYCS-GFCCVEGCSA-N -1 0 330.340 2.324 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1C ZINC000161520631 518187799 /nfs/dbraw/zinc/18/77/99/518187799.db2.gz HMQBTXFGLGVGAW-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000262538688 535662481 /nfs/dbraw/zinc/66/24/81/535662481.db2.gz QVUKMKRAXZCYFN-XLKFXECMSA-N -1 0 347.327 2.078 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000427754854 536327677 /nfs/dbraw/zinc/32/76/77/536327677.db2.gz FIVOJNZRLHXNGV-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM COc1ccc(CC(=O)OCc2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC000737984032 576020802 /nfs/dbraw/zinc/02/08/02/576020802.db2.gz DXHASGTYPCPPPO-UHFFFAOYSA-N -1 0 335.268 2.181 20 5 EEBDRM O=C([O-])c1ccc(OCc2nc(CC(F)(F)F)no2)c([N+](=O)[O-])c1 ZINC000740168293 576385816 /nfs/dbraw/zinc/38/58/16/576385816.db2.gz QBNDSIFJYLCXJW-UHFFFAOYSA-N -1 0 347.205 2.360 20 5 EEBDRM CS[C@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000773780840 577364471 /nfs/dbraw/zinc/36/44/71/577364471.db2.gz QDWZVCJEQAGCAB-SNVBAGLBSA-N -1 0 346.430 2.240 20 5 EEBDRM COCC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000768890873 577565140 /nfs/dbraw/zinc/56/51/40/577565140.db2.gz XACMNDMJUNNHHF-JTQLQIEISA-N -1 0 346.386 2.305 20 5 EEBDRM O=C(NCCN1CCc2ccccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000768961227 577566672 /nfs/dbraw/zinc/56/66/72/577566672.db2.gz LWMGJRGJJGCTBP-UHFFFAOYSA-N -1 0 327.340 2.093 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000760198228 577658672 /nfs/dbraw/zinc/65/86/72/577658672.db2.gz WUPBXPMCDIKMTP-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000763928917 577728141 /nfs/dbraw/zinc/72/81/41/577728141.db2.gz SWIJDPPDRYEHHR-VIFPVBQESA-N -1 0 340.382 2.265 20 5 EEBDRM Nc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000739202981 578043828 /nfs/dbraw/zinc/04/38/28/578043828.db2.gz DYNOYWBNWSCMQQ-UHFFFAOYSA-N -1 0 336.691 2.176 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1O ZINC000739250197 578045693 /nfs/dbraw/zinc/04/56/93/578045693.db2.gz CFDGJAPPUCGKAG-UHFFFAOYSA-N -1 0 345.311 2.439 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCOC[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000739625555 578061444 /nfs/dbraw/zinc/06/14/44/578061444.db2.gz QEBGTAICUGFSJG-OHVSUOQFSA-N -1 0 336.344 2.158 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(C3CC3)CC2)cc1Cl ZINC000740098703 578080736 /nfs/dbraw/zinc/08/07/36/578080736.db2.gz XTHSDBFASUVUTB-UHFFFAOYSA-N -1 0 325.752 2.231 20 5 EEBDRM CC[C@](C)(NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736860887 578227146 /nfs/dbraw/zinc/22/71/46/578227146.db2.gz CKAOTCDPKTZAGI-AWEZNQCLSA-N -1 0 342.373 2.308 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])s1)c1nc(CC(=O)[O-])cs1 ZINC000737339144 578251333 /nfs/dbraw/zinc/25/13/33/578251333.db2.gz RGLKKBPLADLVMA-UHFFFAOYSA-N -1 0 327.343 2.017 20 5 EEBDRM CC(C)[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000817973048 597040243 /nfs/dbraw/zinc/04/02/43/597040243.db2.gz JTSKEFXFHOKCRU-JTQLQIEISA-N -1 0 345.149 2.196 20 5 EEBDRM O=C([O-])c1cc(NC(=O)COCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000739324709 600541749 /nfs/dbraw/zinc/54/17/49/600541749.db2.gz RPUYNBCEXDBDQX-UHFFFAOYSA-N -1 0 330.296 2.448 20 5 EEBDRM CC(C)CC[C@@](C)(O)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262444709 600781094 /nfs/dbraw/zinc/78/10/94/600781094.db2.gz VHMYTMOMQKOSFT-MRXNPFEDSA-N -1 0 338.360 2.210 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H]1CCC[C@@H](O)C1 ZINC000833307452 600815899 /nfs/dbraw/zinc/81/58/99/600815899.db2.gz NLEJZYXWVMVCKY-PSASIEDQSA-N -1 0 339.304 2.164 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000832476010 601154193 /nfs/dbraw/zinc/15/41/93/601154193.db2.gz BYAAKDOHTHVKLX-UHFFFAOYSA-N -1 0 348.286 2.474 20 5 EEBDRM Cc1oc(S(=O)(=O)Oc2ccc(C)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000832951055 601215186 /nfs/dbraw/zinc/21/51/86/601215186.db2.gz FOLQRKOHQCAUOR-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000828671928 601479494 /nfs/dbraw/zinc/47/94/94/601479494.db2.gz IPYFSHRUNQZSOG-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM CC(=O)N(C)C1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000825819319 601545358 /nfs/dbraw/zinc/54/53/58/601545358.db2.gz IITFCYQCGQWAMH-UHFFFAOYSA-N -1 0 335.360 2.049 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000832921334 601667210 /nfs/dbraw/zinc/66/72/10/601667210.db2.gz PBYVPSHGQCWEGA-NTZNESFSSA-N -1 0 335.360 2.326 20 5 EEBDRM CCOc1cccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000830104546 602175293 /nfs/dbraw/zinc/17/52/93/602175293.db2.gz HESYQPOPALDIQU-UHFFFAOYSA-N -1 0 346.295 2.444 20 5 EEBDRM Cc1cc(N2CCO[C@H](C(F)(F)F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891581 602319281 /nfs/dbraw/zinc/31/92/81/602319281.db2.gz ZHPBDLZIMFVBOC-JTQLQIEISA-N -1 0 334.250 2.369 20 5 EEBDRM O=C([O-])CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165199732 604435423 /nfs/dbraw/zinc/43/54/23/604435423.db2.gz OTITTZCCWMSUSP-UHFFFAOYSA-N -1 0 345.149 2.342 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000827006009 604452896 /nfs/dbraw/zinc/45/28/96/604452896.db2.gz IOWBVOHDIHWGEP-CQSZACIVSA-N -1 0 349.343 2.026 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832481803 604812531 /nfs/dbraw/zinc/81/25/31/604812531.db2.gz RQJQLRHSARXFRU-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM CCc1ncc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000161919771 679281088 /nfs/dbraw/zinc/28/10/88/679281088.db2.gz GNFAHFDFBVXVHK-UHFFFAOYSA-N -1 0 342.764 2.401 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000263194630 689460205 /nfs/dbraw/zinc/46/02/05/689460205.db2.gz JAJCFFPKBDANJF-QGZVFWFLSA-N -1 0 347.371 2.496 20 5 EEBDRM Cn1c(=O)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000356326177 1194410449 /nfs/dbraw/zinc/41/04/49/1194410449.db2.gz YQAJUQPXEMSLGU-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1(F)CCCCC1 ZINC000810518595 1199561298 /nfs/dbraw/zinc/56/12/98/1199561298.db2.gz JZOBVQRULDNLDD-UHFFFAOYSA-N -1 0 344.364 2.213 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(n2)CCC3)cs1 ZINC000830150645 1200519216 /nfs/dbraw/zinc/51/92/16/1200519216.db2.gz LEXZQKPMOXLSLX-UHFFFAOYSA-N -1 0 325.371 2.341 20 5 EEBDRM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)[N-]OC/C=C\Cl ZINC000812408109 1200708105 /nfs/dbraw/zinc/70/81/05/1200708105.db2.gz GLSFMRFRPAMIQF-KXFIGUGUSA-N -1 0 337.719 2.322 20 5 EEBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000866284335 1201484003 /nfs/dbraw/zinc/48/40/03/1201484003.db2.gz ANQVXSVADMQNPG-LBPRGKRZSA-N -1 0 335.257 2.381 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H](Cc2nccs2)C1 ZINC000890217784 1202229445 /nfs/dbraw/zinc/22/94/45/1202229445.db2.gz NRROXWUBLYDFIH-SNVBAGLBSA-N -1 0 333.369 2.462 20 5 EEBDRM O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779674959 1210751015 /nfs/dbraw/zinc/75/10/15/1210751015.db2.gz NALXAYHQYYYHKO-KGYLQXTDSA-N -1 0 340.426 2.410 20 5 EEBDRM CC(C)(C)n1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000194783316 1211266957 /nfs/dbraw/zinc/26/69/57/1211266957.db2.gz JXHQWTJVMXYFRD-UHFFFAOYSA-N -1 0 342.352 2.486 20 5 EEBDRM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000795277932 1212398624 /nfs/dbraw/zinc/39/86/24/1212398624.db2.gz WHFLKVUKGCNXNT-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2cc(C(F)(F)F)ccn2)no1 ZINC001212893850 1214386596 /nfs/dbraw/zinc/38/65/96/1214386596.db2.gz BLHGPDYMXBGEQA-UHFFFAOYSA-N -1 0 326.194 2.449 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000796227107 1215561939 /nfs/dbraw/zinc/56/19/39/1215561939.db2.gz OBBMTXZCIUTHHF-LURJTMIESA-N -1 0 349.340 2.369 20 5 EEBDRM O=C(CCCC1CC1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886141 1277379881 /nfs/dbraw/zinc/37/98/81/1277379881.db2.gz QIFNSBVIXHVAQL-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM O=S(=O)([N-]c1cccc2nc3ccccc3nc12)c1ncc[nH]1 ZINC001190728096 1281035709 /nfs/dbraw/zinc/03/57/09/1281035709.db2.gz BNJRPGJYVWXFTP-UHFFFAOYSA-N -1 0 325.353 2.307 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CC2CCCC2)ccc1[N+](=O)[O-] ZINC000115924346 1294038720 /nfs/dbraw/zinc/03/87/20/1294038720.db2.gz UKRALGWZNQFOOL-UHFFFAOYSA-N -1 0 326.374 2.288 20 5 EEBDRM Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001211297551 1295806262 /nfs/dbraw/zinc/80/62/62/1295806262.db2.gz VEYLVDIXCAHPLB-UHFFFAOYSA-N -1 0 329.272 2.438 20 5 EEBDRM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119332535 1296151121 /nfs/dbraw/zinc/15/11/21/1296151121.db2.gz FIJNUMZCOAPTAW-UHFFFAOYSA-N -1 0 344.345 2.223 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H]2CCc3cc(F)ccc32)c1[N+](=O)[O-] ZINC001226649612 1301493805 /nfs/dbraw/zinc/49/38/05/1301493805.db2.gz MEWLRSPMYHORQJ-JTQLQIEISA-N -1 0 349.274 2.082 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H]2C[C@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC001226648984 1301493812 /nfs/dbraw/zinc/49/38/12/1301493812.db2.gz HKXNOPQDVUDPHS-IUCAKERBSA-N -1 0 339.348 2.471 20 5 EEBDRM CSc1nc(O[C@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227629326 1301916645 /nfs/dbraw/zinc/91/66/45/1301916645.db2.gz VGICOHRTNSYSHU-QMMMGPOBSA-N -1 0 337.361 2.231 20 5 EEBDRM O=C1CC([O-])=NC(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)=N1 ZINC001228392974 1302240102 /nfs/dbraw/zinc/24/01/02/1302240102.db2.gz XGJQELCIWVEQEJ-SNVBAGLBSA-N -1 0 331.206 2.478 20 5 EEBDRM CCC[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])C(=O)OCC ZINC001228604579 1302334345 /nfs/dbraw/zinc/33/43/45/1302334345.db2.gz VEJHYAMAJQOAAT-VIFPVBQESA-N -1 0 325.321 2.078 20 5 EEBDRM CC(C)(C)OC(=O)N1C[C@@H](Oc2cc([N+](=O)[O-])ccc2O)CC1=O ZINC001229394813 1302761480 /nfs/dbraw/zinc/76/14/80/1302761480.db2.gz CCONDBFSUJCLPM-JTQLQIEISA-N -1 0 338.316 2.215 20 5 EEBDRM CCOC(=O)[C@@H]1CCC[C@@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231076942 1303613593 /nfs/dbraw/zinc/61/35/93/1303613593.db2.gz QEDWIJHDNNRHEI-HTQZYQBOSA-N -1 0 345.739 2.245 20 5 EEBDRM COC(=O)C[C@H]1CCC[C@@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231077225 1303613642 /nfs/dbraw/zinc/61/36/42/1303613642.db2.gz SJDWBMACCWURDU-JGVFFNPUSA-N -1 0 345.739 2.245 20 5 EEBDRM COC(=O)c1n[n-]c(C(=O)OC)c1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001234189454 1304789492 /nfs/dbraw/zinc/78/94/92/1304789492.db2.gz MJPTXTOBXXVLNF-QMMMGPOBSA-N -1 0 349.299 2.031 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(N)c2)c([N+](=O)[O-])c1 ZINC001248475075 1310909362 /nfs/dbraw/zinc/90/93/62/1310909362.db2.gz NLZPAHSDYIYURR-UHFFFAOYSA-N -1 0 337.357 2.295 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2N)c([N+](=O)[O-])c1 ZINC001248483165 1310909963 /nfs/dbraw/zinc/90/99/63/1310909963.db2.gz GYWLMNFUZNQLJH-UHFFFAOYSA-N -1 0 341.320 2.126 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1[N-]c1nonc1-c1cn2ccncc2n1 ZINC001249546723 1317113949 /nfs/dbraw/zinc/11/39/49/1317113949.db2.gz QQLZTILCJAQNBE-UHFFFAOYSA-N -1 0 338.287 2.135 20 5 EEBDRM O=C([N-]CCNc1ccc2cc(F)cc([N+](=O)[O-])c2n1)C(F)(F)F ZINC001164243801 1321328088 /nfs/dbraw/zinc/32/80/88/1321328088.db2.gz GOMUYXOXYSMPJI-UHFFFAOYSA-N -1 0 346.240 2.373 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1O ZINC001601280758 1350247926 /nfs/dbraw/zinc/24/79/26/1350247926.db2.gz ZXRHXJIFBCZDRS-UHFFFAOYSA-N -1 0 345.311 2.439 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC001601821575 1350372520 /nfs/dbraw/zinc/37/25/20/1350372520.db2.gz YDBZYIPCGGHSAS-NFAWXSAZSA-N -1 0 332.356 2.239 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCCOc2ncccn2)c([N+](=O)[O-])c1 ZINC001608661428 1351736841 /nfs/dbraw/zinc/73/68/41/1351736841.db2.gz VYWZNUOCEUPCGX-GQCTYLIASA-N -1 0 344.327 2.364 20 5 EEBDRM O=C([O-])Cc1ccc(NC2CC(NCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001608780310 1351761532 /nfs/dbraw/zinc/76/15/32/1351761532.db2.gz DWQGOLBUMYZBGG-UHFFFAOYSA-N -1 0 347.293 2.317 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001608784261 1351762657 /nfs/dbraw/zinc/76/26/57/1351762657.db2.gz XPTOZDZFXVITKJ-UHFFFAOYSA-N -1 0 328.324 2.194 20 5 EEBDRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001608802081 1351766850 /nfs/dbraw/zinc/76/68/50/1351766850.db2.gz WZCIQQKPTPJCLW-VIFPVBQESA-N -1 0 346.311 2.008 20 5 EEBDRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001608819047 1351771274 /nfs/dbraw/zinc/77/12/74/1351771274.db2.gz KWRAOFJOHGUJAL-MRVPVSSYSA-N -1 0 334.662 2.183 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2CC([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001608830360 1351773419 /nfs/dbraw/zinc/77/34/19/1351773419.db2.gz LPBAXYFOCIMAFY-MRVPVSSYSA-N -1 0 326.736 2.419 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001608835606 1351774865 /nfs/dbraw/zinc/77/48/65/1351774865.db2.gz OXIHIYRJLKUNQD-NSHDSACASA-N -1 0 345.311 2.301 20 5 EEBDRM O=C([O-])c1ccccc1CCn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC001608946070 1351800474 /nfs/dbraw/zinc/80/04/74/1351800474.db2.gz DTYFGXWBEGDAMR-UHFFFAOYSA-N -1 0 339.307 2.246 20 5 EEBDRM O=C([O-])c1cnc(Oc2cccc(-n3ccnn3)c2)c([N+](=O)[O-])c1 ZINC001608978483 1351807134 /nfs/dbraw/zinc/80/71/34/1351807134.db2.gz AJORBKOMDHUIOH-UHFFFAOYSA-N -1 0 327.256 2.061 20 5 EEBDRM O=C([O-])c1nn(Cc2ccccc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC001609004812 1351812291 /nfs/dbraw/zinc/81/22/91/1351812291.db2.gz ZUCOUJKRUIWTGG-UHFFFAOYSA-N -1 0 345.233 2.479 20 5 EEBDRM CN(C)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001320767364 1332948542 /nfs/dbraw/zinc/94/85/42/1332948542.db2.gz COFITKFHMTXATO-UHFFFAOYSA-N -1 0 329.356 2.339 20 5 EEBDRM O=C([O-])c1occc1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001609006539 1351812931 /nfs/dbraw/zinc/81/29/31/1351812931.db2.gz XWVKXJQOKIRPFK-UHFFFAOYSA-N -1 0 341.279 2.364 20 5 EEBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cccc1-c1nn[nH]n1 ZINC001609385301 1351954804 /nfs/dbraw/zinc/95/48/04/1351954804.db2.gz CTBOBKUSXIDBLR-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001609898882 1352114101 /nfs/dbraw/zinc/11/41/01/1352114101.db2.gz HJYDMVWCNPJLNE-NXEZZACHSA-N -1 0 344.389 2.396 20 5 EEBDRM C[C@@H]1CN(c2nnc(-c3cccc([O-])c3[N+](=O)[O-])n2C)C[C@H](C)S1 ZINC001341594088 1337295007 /nfs/dbraw/zinc/29/50/07/1337295007.db2.gz SMDSFALAUCUORR-AOOOYVTPSA-N -1 0 349.416 2.426 20 5 EEBDRM CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001344439526 1337393525 /nfs/dbraw/zinc/39/35/25/1337393525.db2.gz VMNDKOIXZFFDGX-LLVKDONJSA-N -1 0 328.390 2.472 20 5 EEBDRM COC(=O)CC(C)(C)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001349446580 1337622611 /nfs/dbraw/zinc/62/26/11/1337622611.db2.gz IJCIORVBWVUQPB-UHFFFAOYSA-N -1 0 344.751 2.368 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC001610214252 1352187232 /nfs/dbraw/zinc/18/72/32/1352187232.db2.gz PEWQGGOSLSOLGD-QMTHXVAHSA-N -1 0 336.344 2.067 20 5 EEBDRM CO[C@H](C)c1noc(CNc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n1 ZINC001610225690 1352190254 /nfs/dbraw/zinc/19/02/54/1352190254.db2.gz DGCSOGABVCFRNC-MRVPVSSYSA-N -1 0 336.304 2.304 20 5 EEBDRM O=C(CCC1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847891723 1338365295 /nfs/dbraw/zinc/36/52/95/1338365295.db2.gz FMEUKHQXOBOVHH-UHFFFAOYSA-N -1 0 341.389 2.155 20 5 EEBDRM COc1ccc(OCC(=O)Nc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001610344342 1352208717 /nfs/dbraw/zinc/20/87/17/1352208717.db2.gz YRDGTGUCHDFEOF-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM Cc1c(C(=O)OCC2(CC(=O)[O-])CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001610409524 1352218412 /nfs/dbraw/zinc/21/84/12/1352218412.db2.gz DTYYLWSKYFETGP-UHFFFAOYSA-N -1 0 338.272 2.223 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C(C)(C)CC(=O)[O-])c1C ZINC001610478304 1352229357 /nfs/dbraw/zinc/22/93/57/1352229357.db2.gz JQWPPNAPRHWFHS-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001610533505 1352240356 /nfs/dbraw/zinc/24/03/56/1352240356.db2.gz RAOCFALQIZNAFI-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])c1cc(NC(=O)/C=C/c2cncc(O)c2)cc([N+](=O)[O-])c1 ZINC001610650072 1352257516 /nfs/dbraw/zinc/25/75/16/1352257516.db2.gz DIACJOBTLDTGFE-OWOJBTEDSA-N -1 0 329.268 2.046 20 5 EEBDRM Cn1nccc1C1=CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001610616589 1352254613 /nfs/dbraw/zinc/25/46/13/1352254613.db2.gz YMHHBUJUGIEACO-UHFFFAOYSA-N -1 0 342.355 2.316 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](F)C1 ZINC001610776323 1352272607 /nfs/dbraw/zinc/27/26/07/1352272607.db2.gz AXNAIXPYSIZYAU-VIFPVBQESA-N -1 0 342.348 2.346 20 5 EEBDRM O=C([O-])c1cc(OCc2ncnn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC001610816202 1352279524 /nfs/dbraw/zinc/27/95/24/1352279524.db2.gz WAYHPNBDUWIGNV-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)C2CCCCC2)cc1[N+](=O)[O-] ZINC001610837504 1352282964 /nfs/dbraw/zinc/28/29/64/1352282964.db2.gz GCEISNQZWKDBRN-UHFFFAOYSA-N -1 0 329.330 2.334 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@H](CO)Oc3ccccc32)c1 ZINC001610840023 1352283243 /nfs/dbraw/zinc/28/32/43/1352283243.db2.gz ICPYXCLAGITZPR-CYBMUJFWSA-N -1 0 344.323 2.053 20 5 EEBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC001589604955 1349009505 /nfs/dbraw/zinc/00/95/05/1349009505.db2.gz NQDLDJXUXSWNNT-INIZCTEOSA-N -1 0 335.360 2.354 20 5 EEBDRM Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC001600087079 1349968724 /nfs/dbraw/zinc/96/87/24/1349968724.db2.gz ADQYCDHQRHKGQY-QGZVFWFLSA-N -1 0 343.339 2.336 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@](C)(O)c2cccc(F)c2)n1 ZINC001600106967 1349972706 /nfs/dbraw/zinc/97/27/06/1349972706.db2.gz MRUKIROZTJAIIT-MRXNPFEDSA-N -1 0 349.318 2.455 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC001600304339 1350015846 /nfs/dbraw/zinc/01/58/46/1350015846.db2.gz NKNYIVMMVGGYAL-ZDUSSCGKSA-N -1 0 347.302 2.036 20 5 EEBDRM Cc1cccc(C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)c1[N+](=O)[O-] ZINC001600511140 1350070185 /nfs/dbraw/zinc/07/01/85/1350070185.db2.gz XJJPVBILKRXNBB-UHFFFAOYSA-N -1 0 341.323 2.195 20 5 EEBDRM Cc1cncn1C1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001600631427 1350102302 /nfs/dbraw/zinc/10/23/02/1350102302.db2.gz LFNWWNUGMNMCJH-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001600720728 1350120724 /nfs/dbraw/zinc/12/07/24/1350120724.db2.gz WNMYSRTZERFKQM-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1nccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1Cl ZINC001600752109 1350128232 /nfs/dbraw/zinc/12/82/32/1350128232.db2.gz FICVBMHTEAVQAM-UHFFFAOYSA-N -1 0 335.703 2.324 20 5 EEBDRM Cn1cnc2cc(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])ccc21 ZINC001600991207 1350184379 /nfs/dbraw/zinc/18/43/79/1350184379.db2.gz OICHUKYINMEGLQ-UHFFFAOYSA-N -1 0 327.300 2.187 20 5 EEBDRM Nc1ccc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001601216049 1350233692 /nfs/dbraw/zinc/23/36/92/1350233692.db2.gz WRWWQXORKQOQIA-UONOGXRCSA-N -1 0 327.340 2.482 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1F ZINC001601815140 1350371418 /nfs/dbraw/zinc/37/14/18/1350371418.db2.gz ORRLFBAKKNRXOP-BXKDBHETSA-N -1 0 347.320 2.086 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001601824658 1350373218 /nfs/dbraw/zinc/37/32/18/1350373218.db2.gz CRUMCKBTDBSZGN-LURJTMIESA-N -1 0 333.127 2.448 20 5 EEBDRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001601972669 1350408248 /nfs/dbraw/zinc/40/82/48/1350408248.db2.gz ONVWNDWIPMALFL-NSHDSACASA-N -1 0 338.364 2.252 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCO[C@@H](C(F)F)CC2)c([N+](=O)[O-])c1 ZINC001602120694 1350443630 /nfs/dbraw/zinc/44/36/30/1350443630.db2.gz GQEGXTWOZNNCTA-GFCCVEGCSA-N -1 0 330.287 2.082 20 5 EEBDRM O=C([O-])Cc1ccccc1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC001602147918 1350451714 /nfs/dbraw/zinc/45/17/14/1350451714.db2.gz ZNSWZZCJHQYKIQ-UHFFFAOYSA-N -1 0 326.312 2.482 20 5 EEBDRM O=C([O-])c1c(Cl)c(Sc2nnnn2C2CC2)ccc1[N+](=O)[O-] ZINC001602235039 1350472655 /nfs/dbraw/zinc/47/26/55/1350472655.db2.gz RYUAKNOWTUMZCT-UHFFFAOYSA-N -1 0 341.736 2.419 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cccc(CCO)c2)cc([N+](=O)[O-])c1 ZINC001602249175 1350476500 /nfs/dbraw/zinc/47/65/00/1350476500.db2.gz KFIYCUKAXSDPNB-UHFFFAOYSA-N -1 0 330.296 2.080 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2ccc3ccccc3n2)c1 ZINC001602298775 1350488069 /nfs/dbraw/zinc/48/80/69/1350488069.db2.gz DZLIWQWCUDADDN-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM O=C([O-])c1cnc(Nc2cccc(-n3ccnn3)c2)c([N+](=O)[O-])c1 ZINC001602534409 1350540829 /nfs/dbraw/zinc/54/08/29/1350540829.db2.gz GCCJNZJJYBSRMQ-UHFFFAOYSA-N -1 0 326.272 2.012 20 5 EEBDRM O=C([O-])c1sccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001602597633 1350553893 /nfs/dbraw/zinc/55/38/93/1350553893.db2.gz SRVPHKLXHVPWRW-UHFFFAOYSA-N -1 0 346.317 2.294 20 5 EEBDRM CC(C)(C)OC(=O)[C@H]1C[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001603502213 1350713807 /nfs/dbraw/zinc/71/38/07/1350713807.db2.gz YRFKGXOIXARFQR-KYZUINATSA-N -1 0 337.332 2.220 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC001603732670 1350753723 /nfs/dbraw/zinc/75/37/23/1350753723.db2.gz JCNFQCBXTSZTLX-AWEZNQCLSA-N -1 0 346.343 2.154 20 5 EEBDRM C[C@@](NC(=O)C1CC(F)(F)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604264654 1350904933 /nfs/dbraw/zinc/90/49/33/1350904933.db2.gz NBKRMILUHAOSQW-ZDUSSCGKSA-N -1 0 328.271 2.056 20 5 EEBDRM C[C@](NC(=O)c1ccc(O)cc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604312622 1350913355 /nfs/dbraw/zinc/91/33/55/1350913355.db2.gz ATKTZQKBIPKAMP-MRXNPFEDSA-N -1 0 348.286 2.169 20 5 EEBDRM CCN1C[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1=O ZINC001605469242 1351164053 /nfs/dbraw/zinc/16/40/53/1351164053.db2.gz GSXCZKXBNBNRGG-MRVPVSSYSA-N -1 0 341.751 2.227 20 5 EEBDRM CCOC(=O)[C@@H](C)N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC001605507959 1351173973 /nfs/dbraw/zinc/17/39/73/1351173973.db2.gz KCRYVIPVPLFVEI-SNVBAGLBSA-N -1 0 336.344 2.209 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)n1 ZINC001605925234 1351255203 /nfs/dbraw/zinc/25/52/03/1351255203.db2.gz BXYPOPNKXCFDFJ-JTQLQIEISA-N -1 0 346.343 2.327 20 5 EEBDRM CO[C@@H]1COCC[C@H]1N(C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606767930 1351354142 /nfs/dbraw/zinc/35/41/42/1351354142.db2.gz AAQVWCWVRYTPGA-ZWNOBZJWSA-N -1 0 344.751 2.187 20 5 EEBDRM CO[C@H]1C[C@@H](CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001607006235 1351396095 /nfs/dbraw/zinc/39/60/95/1351396095.db2.gz JYTSAFJPRCBYCX-JGZJWPJOSA-N -1 0 337.332 2.148 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@]1(C)C(=O)[O-] ZINC001607474924 1351499890 /nfs/dbraw/zinc/49/98/90/1351499890.db2.gz JIAQZYALODZZQN-FVMDXXJSSA-N -1 0 331.328 2.259 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC2(O)CCC(F)(F)CC2)n1 ZINC001607588952 1351520688 /nfs/dbraw/zinc/52/06/88/1351520688.db2.gz AYKXGUPJMMRERV-UHFFFAOYSA-N -1 0 345.302 2.349 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(=O)n1CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001607824703 1351565876 /nfs/dbraw/zinc/56/58/76/1351565876.db2.gz APYBWWFKICFWML-WEVVVXLNSA-N -1 0 344.323 2.242 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001607826282 1351565958 /nfs/dbraw/zinc/56/59/58/1351565958.db2.gz KVBDNJOVFSWZLX-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1ncc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001607983141 1351597967 /nfs/dbraw/zinc/59/79/67/1351597967.db2.gz QSAGXLPTMJTCML-UHFFFAOYSA-N -1 0 330.300 2.318 20 5 EEBDRM O=C(Nc1ccn(Cc2ccccn2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780448729 1371159628 /nfs/dbraw/zinc/15/96/28/1371159628.db2.gz DGKULPWJUCKYGH-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C12CCC(CC1)C2 ZINC000784925224 757036575 /nfs/dbraw/zinc/03/65/75/757036575.db2.gz IKSAKGZQXYSSJE-UHFFFAOYSA-N -1 0 342.348 2.119 20 5 EEBDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000175123804 773466576 /nfs/dbraw/zinc/46/65/76/773466576.db2.gz PJNJDFDAQNGERZ-UHFFFAOYSA-N -1 0 342.304 2.062 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000817865402 785031642 /nfs/dbraw/zinc/03/16/42/785031642.db2.gz RINNMNOTMBDLCM-QWRGUYRKSA-N -1 0 349.343 2.098 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000818629458 785308105 /nfs/dbraw/zinc/30/81/05/785308105.db2.gz FVEOZVFYAZWTMP-CQSZACIVSA-N -1 0 328.752 2.314 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000112492678 786062247 /nfs/dbraw/zinc/06/22/47/786062247.db2.gz VITBNVHMKFPAIQ-SNVBAGLBSA-N -1 0 328.390 2.399 20 5 EEBDRM CON(CC1CCOCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843879572 788709548 /nfs/dbraw/zinc/70/95/48/788709548.db2.gz ASAFDTMYVXPPOI-UHFFFAOYSA-N -1 0 344.751 2.384 20 5 EEBDRM CN(C[C@]1(O)CCc2ccccc21)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000843954668 788753419 /nfs/dbraw/zinc/75/34/19/788753419.db2.gz LLAIUDOEQNBKJF-GOSISDBHSA-N -1 0 342.351 2.206 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC000846135452 790071925 /nfs/dbraw/zinc/07/19/25/790071925.db2.gz CXOQMRFHJZXTJV-KAKYJUDNSA-N -1 0 330.340 2.177 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000917712522 798332608 /nfs/dbraw/zinc/33/26/08/798332608.db2.gz GVEOBPVVOIGVBS-UHFFFAOYSA-N -1 0 340.288 2.263 20 5 EEBDRM Cc1c(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000791020315 809035421 /nfs/dbraw/zinc/03/54/21/809035421.db2.gz GACBZOLXAPQQDQ-UHFFFAOYSA-N -1 0 331.284 2.447 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000809063846 812953016 /nfs/dbraw/zinc/95/30/16/812953016.db2.gz NLUXKJVWHPOQIP-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000809067923 812955648 /nfs/dbraw/zinc/95/56/48/812955648.db2.gz VQUMSENUATWJCV-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001601215208 970955236 /nfs/dbraw/zinc/95/52/36/970955236.db2.gz ZSZPQDIHWOEPSO-UHFFFAOYSA-N -1 0 329.312 2.447 20 5 EEBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC001589597487 949171299 /nfs/dbraw/zinc/17/12/99/949171299.db2.gz DSQRBMGNRILXOE-INIZCTEOSA-N -1 0 335.360 2.202 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001595270656 949823443 /nfs/dbraw/zinc/82/34/43/949823443.db2.gz HEUNQQRCAPYZCY-KBPBESRZSA-N -1 0 327.296 2.430 20 5 EEBDRM O=C([O-])CCCCC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001595034831 951395055 /nfs/dbraw/zinc/39/50/55/951395055.db2.gz CHECJWLMYYJAFM-UHFFFAOYSA-N -1 0 332.316 2.364 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)[O-] ZINC001602983704 972006499 /nfs/dbraw/zinc/00/64/99/972006499.db2.gz NUJSDSYFSMVGAY-LBPRGKRZSA-N -1 0 346.343 2.072 20 5 EEBDRM CN(Cc1nc(C2(C(=O)[O-])CCC2)no1)c1ccccc1[N+](=O)[O-] ZINC001593765078 954509006 /nfs/dbraw/zinc/50/90/06/954509006.db2.gz PZFPCTMDIGMFBB-UHFFFAOYSA-N -1 0 332.316 2.121 20 5 EEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000852910707 955852918 /nfs/dbraw/zinc/85/29/18/955852918.db2.gz ZLPBPWRVSHCYLD-LLVKDONJSA-N -1 0 335.360 2.036 20 5 EEBDRM COCCN(CCC(=O)[O-])C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001594006960 956980826 /nfs/dbraw/zinc/98/08/26/956980826.db2.gz QUOWBOYIGDMVAV-UHFFFAOYSA-N -1 0 344.751 2.120 20 5 EEBDRM O=C([O-])COc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000021026249 957148646 /nfs/dbraw/zinc/14/86/46/957148646.db2.gz RGZVVNVNUGUGDA-UHFFFAOYSA-N -1 0 346.295 2.076 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N(CC(=O)[O-])CC2CC2)cc1Cl ZINC001594329672 958206810 /nfs/dbraw/zinc/20/68/10/958206810.db2.gz KOCIPWOKCUKQHO-UHFFFAOYSA-N -1 0 326.736 2.493 20 5 EEBDRM Cc1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c(N)c1[N+](=O)[O-] ZINC001594373465 958566533 /nfs/dbraw/zinc/56/65/33/958566533.db2.gz DJRSMQYDHUVJFV-HWKANZROSA-N -1 0 331.284 2.429 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(NCC3(C(=O)[O-])CCC3)c2c1 ZINC001594117924 958571487 /nfs/dbraw/zinc/57/14/87/958571487.db2.gz XZMCNPCRKFTCLF-UHFFFAOYSA-N -1 0 331.328 2.240 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC001594381127 958620697 /nfs/dbraw/zinc/62/06/97/958620697.db2.gz JLQCNLQDPNZUHF-UHFFFAOYSA-N -1 0 336.344 2.043 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000159006677 959106103 /nfs/dbraw/zinc/10/61/03/959106103.db2.gz WPPOTBXURAJJPE-ZETCQYMHSA-N -1 0 345.149 2.150 20 5 EEBDRM CC[C@@](C)(NC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000159018700 959106187 /nfs/dbraw/zinc/10/61/87/959106187.db2.gz GRHPSICCVWBNMJ-GFCCVEGCSA-N -1 0 345.149 2.340 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001573924935 961544530 /nfs/dbraw/zinc/54/45/30/961544530.db2.gz PZHVFLGVUBKKNK-NWDGAFQWSA-N -1 0 348.355 2.176 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(CC(=O)[O-])no1 ZINC001609991694 970635308 /nfs/dbraw/zinc/63/53/08/970635308.db2.gz ZCAAOMUSIRVLOY-LURJTMIESA-N -1 0 327.680 2.398 20 5 EEBDRM O=C([O-])c1c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)nc2ccccn21 ZINC001605874393 972650430 /nfs/dbraw/zinc/65/04/30/972650430.db2.gz YIHVFEOFOOYRQQ-UHFFFAOYSA-N -1 0 344.258 2.332 20 5 EEBDRM COc1c(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cccc1[N+](=O)[O-] ZINC001604669531 973862033 /nfs/dbraw/zinc/86/20/33/973862033.db2.gz RCZXIJXHBKMPKM-CQSZACIVSA-N -1 0 344.323 2.468 20 5 EEBDRM O=C([O-])CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000692401146 976446711 /nfs/dbraw/zinc/44/67/11/976446711.db2.gz CWJSQRIRVDBPPP-UHFFFAOYSA-N -1 0 332.287 2.461 20 5 EEBDRM CC(C)n1ncnc1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001592169038 977064042 /nfs/dbraw/zinc/06/40/42/977064042.db2.gz FJLNOKDVTYYURC-GQCTYLIASA-N -1 0 331.332 2.477 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCO[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000851705499 979569962 /nfs/dbraw/zinc/56/99/62/979569962.db2.gz NSWPTKJCQWBRKJ-SNVBAGLBSA-N -1 0 348.277 2.380 20 5 EEBDRM C[C@@](NC(=O)[C@H]1CC1(Cl)Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593002001 980213070 /nfs/dbraw/zinc/21/30/70/980213070.db2.gz ADAUSDLPKVJHJG-SKDRFNHKSA-N -1 0 347.154 2.205 20 5 EEBDRM CCCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@H](C)C(=O)[O-] ZINC001595824419 982703617 /nfs/dbraw/zinc/70/36/17/982703617.db2.gz HJDJKIUESBISPU-ZCFIWIBFSA-N -1 0 347.730 2.295 20 5 EEBDRM CCOC(=O)C1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001596579830 984491600 /nfs/dbraw/zinc/49/16/00/984491600.db2.gz FPLHTYRKFJCXKP-UHFFFAOYSA-N -1 0 336.344 2.381 20 5 EEBDRM CC(=O)NC1CCC(N(C)c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001589117589 985370840 /nfs/dbraw/zinc/37/08/40/985370840.db2.gz AIQHCZMNGRUJMO-UHFFFAOYSA-N -1 0 349.387 2.485 20 5 EEBDRM CC(C)(C(=O)NCc1ccnc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001589572611 987345220 /nfs/dbraw/zinc/34/52/20/987345220.db2.gz SYJGLHZHVYVMPC-UHFFFAOYSA-N -1 0 343.339 2.282 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC001599822503 988538408 /nfs/dbraw/zinc/53/84/08/988538408.db2.gz JHZQCKQJWNGRMV-CYBMUJFWSA-N -1 0 347.352 2.267 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)c1 ZINC001599823111 988548732 /nfs/dbraw/zinc/54/87/32/988548732.db2.gz YHZDDQQSPIVBJQ-KLBPJQLPSA-N -1 0 336.369 2.156 20 5 EEBDRM COc1ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599595120 993739516 /nfs/dbraw/zinc/73/95/16/993739516.db2.gz FIDRIBXZXHMFSW-JTQLQIEISA-N -1 0 339.348 2.472 20 5 EEBDRM C[C@@](NC(=O)c1csc(C=O)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593189419 994111929 /nfs/dbraw/zinc/11/19/29/994111929.db2.gz RAPCBXNYQFCDIM-HNNXBMFYSA-N -1 0 348.336 2.199 20 5 EEBDRM C[C@H](c1ccccc1)[C@@H](O)CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593707740 996202842 /nfs/dbraw/zinc/20/28/42/996202842.db2.gz ZAWWQRQIDDJFJR-YGRLFVJLSA-N -1 0 331.328 2.265 20 5 EEBDRM CC1(C(=O)[O-])CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC001593804710 996532550 /nfs/dbraw/zinc/53/25/50/996532550.db2.gz AMHUAZDANVXGKJ-UHFFFAOYSA-N -1 0 347.371 2.132 20 5 EEBDRM CO[C@@H]1C[C@H](N(C)c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C12CCC2 ZINC001599094001 997245115 /nfs/dbraw/zinc/24/51/15/997245115.db2.gz ARNLXQNPMAZIER-NWDGAFQWSA-N -1 0 335.360 2.390 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001598955921 998240651 /nfs/dbraw/zinc/24/06/51/998240651.db2.gz VCTJTZPNOZJWOQ-QFYYESIMSA-N -1 0 336.344 2.237 20 5 EEBDRM COC(=O)c1ccnc(NCC2(C(=O)[O-])CCCCC2)c1[N+](=O)[O-] ZINC001599004375 998845292 /nfs/dbraw/zinc/84/52/92/998845292.db2.gz KCVBLSOIYVRRHB-UHFFFAOYSA-N -1 0 337.332 2.223 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C(=O)[O-])C1 ZINC001594406640 999523294 /nfs/dbraw/zinc/52/32/94/999523294.db2.gz BJGAMRQJNORSEO-YMTOWFKASA-N -1 0 331.328 2.401 20 5 EEBDRM O=C(Nc1cccc(-n2ccnn2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158246894 304006200 /nfs/dbraw/zinc/00/62/00/304006200.db2.gz CXVSLYGXQWUJGV-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000055628318 201136008 /nfs/dbraw/zinc/13/60/08/201136008.db2.gz RTNVBXQGPFHKTN-UHFFFAOYSA-N -1 0 349.368 2.145 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000287142107 201335203 /nfs/dbraw/zinc/33/52/03/201335203.db2.gz BVXORLRZHQPAOX-VIFPVBQESA-N -1 0 334.394 2.155 20 5 EEBDRM O=C(NCCc1ccc2c(c1)CCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186377146 255938192 /nfs/dbraw/zinc/93/81/92/255938192.db2.gz BVUYAYXYEMDFBR-UHFFFAOYSA-N -1 0 328.324 2.208 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263200139 140894081 /nfs/dbraw/zinc/89/40/81/140894081.db2.gz HJGDZDVPLYAHRA-AWEZNQCLSA-N -1 0 349.387 2.424 20 5 EEBDRM CC(C)(C)CS(=O)(=O)[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000112762719 292228276 /nfs/dbraw/zinc/22/82/76/292228276.db2.gz OEYCKURJYBIIOV-CMDGGOBGSA-N -1 0 326.374 2.100 20 5 EEBDRM O=C([O-])c1csc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000173657179 152184793 /nfs/dbraw/zinc/18/47/93/152184793.db2.gz DGBHPYFTKGESFO-UHFFFAOYSA-N -1 0 341.732 2.333 20 5 EEBDRM Cc1cc(F)cc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1[N+](=O)[O-] ZINC000263154289 152389620 /nfs/dbraw/zinc/38/96/20/152389620.db2.gz ZITQKWFJPXUSBM-MRVPVSSYSA-N -1 0 338.213 2.178 20 5 EEBDRM CN(Cc1cn2c(n1)CCCC2)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000377283559 154122721 /nfs/dbraw/zinc/12/27/21/154122721.db2.gz RNHMWKXTHPJEOK-UHFFFAOYSA-N -1 0 330.344 2.105 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000262104208 160439136 /nfs/dbraw/zinc/43/91/36/160439136.db2.gz CSXATWGORQTXPI-TVQRCGJNSA-N -1 0 338.385 2.445 20 5 EEBDRM O=C([O-])c1cccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000238127985 160227912 /nfs/dbraw/zinc/22/79/12/160227912.db2.gz GFCZRYQZWBPECV-UHFFFAOYSA-N -1 0 329.312 2.135 20 5 EEBDRM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000343886581 161177969 /nfs/dbraw/zinc/17/79/69/161177969.db2.gz SUPXVAREJMSBFF-UHFFFAOYSA-N -1 0 348.431 2.110 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000344045950 161193228 /nfs/dbraw/zinc/19/32/28/161193228.db2.gz JEBACRCWUBNJBJ-UHFFFAOYSA-N -1 0 332.287 2.405 20 5 EEBDRM O=C(Nc1cccc(-n2ccnn2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356802661 163548451 /nfs/dbraw/zinc/54/84/51/163548451.db2.gz KYQRENMEVYUZOB-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CC(=O)N1CCC[C@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)C1 ZINC000277816677 269186539 /nfs/dbraw/zinc/18/65/39/269186539.db2.gz HHNWPFUFKPUNLC-NSHDSACASA-N -1 0 332.316 2.076 20 5 EEBDRM CC[C@H](C)c1nnc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[nH]1 ZINC000277915342 269197914 /nfs/dbraw/zinc/19/79/14/269197914.db2.gz RALSLIKEPLQYIF-IUCAKERBSA-N -1 0 333.348 2.423 20 5 EEBDRM O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000288740309 275083246 /nfs/dbraw/zinc/08/32/46/275083246.db2.gz XGJXZMPUKLUNES-JTQLQIEISA-N -1 0 347.293 2.057 20 5 EEBDRM COC(=O)C[C@@H](C)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289430423 275115504 /nfs/dbraw/zinc/11/55/04/275115504.db2.gz KPVOEVTXZAPGDS-ZETCQYMHSA-N -1 0 330.724 2.482 20 5 EEBDRM O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000291070083 275266981 /nfs/dbraw/zinc/26/69/81/275266981.db2.gz YPRJAPUVXQHTSZ-AEFFLSMTSA-N -1 0 342.351 2.196 20 5 EEBDRM CN1Cc2ccccc2[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000371372231 290313193 /nfs/dbraw/zinc/31/31/93/290313193.db2.gz FSHLCDIMABUBKB-CQSZACIVSA-N -1 0 327.340 2.217 20 5 EEBDRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000294514604 293474212 /nfs/dbraw/zinc/47/42/12/293474212.db2.gz DPQLKFFNNMEUAU-QGZVFWFLSA-N -1 0 349.387 2.234 20 5 EEBDRM C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000237605970 299045613 /nfs/dbraw/zinc/04/56/13/299045613.db2.gz IXAINLLLVAQKAU-ZETCQYMHSA-N -1 0 349.265 2.005 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000326516345 311603946 /nfs/dbraw/zinc/60/39/46/311603946.db2.gz CMJMGRYQUKKLSZ-MRXNPFEDSA-N -1 0 331.328 2.071 20 5 EEBDRM Cc1cccc(N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1[N+](=O)[O-] ZINC000416452152 313227126 /nfs/dbraw/zinc/22/71/26/313227126.db2.gz ZYPVILOHVREGKS-QWHCGFSZSA-N -1 0 335.360 2.025 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000432120570 314681072 /nfs/dbraw/zinc/68/10/72/314681072.db2.gz QQNCHPKEEIJGKI-STQMWFEESA-N -1 0 332.356 2.371 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(CCCO)Cc1ccccc1 ZINC000436799772 314999664 /nfs/dbraw/zinc/99/96/64/314999664.db2.gz ZRRUGZBTROPSSA-UHFFFAOYSA-N -1 0 330.340 2.325 20 5 EEBDRM COC(=O)c1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436889089 315009312 /nfs/dbraw/zinc/00/93/12/315009312.db2.gz AWHUZISJYSMXPT-UHFFFAOYSA-N -1 0 344.323 2.060 20 5 EEBDRM COC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436894539 315009973 /nfs/dbraw/zinc/00/99/73/315009973.db2.gz PYDXTCIKPYOFNO-UHFFFAOYSA-N -1 0 330.296 2.017 20 5 EEBDRM NC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1Cl ZINC000436945438 315014883 /nfs/dbraw/zinc/01/48/83/315014883.db2.gz GEFRJIHMVFKUPE-UHFFFAOYSA-N -1 0 335.703 2.305 20 5 EEBDRM CNC(=O)c1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000436949614 315015349 /nfs/dbraw/zinc/01/53/49/315015349.db2.gz NBDKALZLBNQDOI-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM O=C(N[C@@H](CO)c1c(F)cccc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436978940 315018480 /nfs/dbraw/zinc/01/84/80/315018480.db2.gz JWKQIIPHSNVCSV-NSHDSACASA-N -1 0 338.266 2.042 20 5 EEBDRM CC[C@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000517570994 316676439 /nfs/dbraw/zinc/67/64/39/316676439.db2.gz KHOMKRRGKLGIBO-IONNQARKSA-N -1 0 337.254 2.110 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@H](CCO)c2ccccc2)c1[N+](=O)[O-] ZINC000519817478 316830862 /nfs/dbraw/zinc/83/08/62/316830862.db2.gz ASQYNLUNYKCFBH-LBPRGKRZSA-N -1 0 331.328 2.266 20 5 EEBDRM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])o1 ZINC000525186694 317043876 /nfs/dbraw/zinc/04/38/76/317043876.db2.gz KVNVTRRTQVTYRH-KOLCDFICSA-N -1 0 337.357 2.185 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000539567676 318057133 /nfs/dbraw/zinc/05/71/33/318057133.db2.gz REEXLBYUDBEHAZ-GFCCVEGCSA-N -1 0 337.719 2.142 20 5 EEBDRM COc1ccc(CC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000539604705 318057504 /nfs/dbraw/zinc/05/75/04/318057504.db2.gz DXQIXVTWURTDMV-GFCCVEGCSA-N -1 0 338.360 2.009 20 5 EEBDRM O=C(NCCc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000539930132 318066879 /nfs/dbraw/zinc/06/68/79/318066879.db2.gz CMTYWJLJGMZMFF-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000555733582 318600974 /nfs/dbraw/zinc/60/09/74/318600974.db2.gz PBZHFNVXIFEZTB-UHFFFAOYSA-N -1 0 343.339 2.497 20 5 EEBDRM C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])Cn1ccnc1 ZINC000563179189 318980501 /nfs/dbraw/zinc/98/05/01/318980501.db2.gz AUPDFIQLLGDOSI-VIFPVBQESA-N -1 0 338.751 2.216 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC=C(c3ccnn3C)CC2)n1 ZINC000565034953 319141548 /nfs/dbraw/zinc/14/15/48/319141548.db2.gz JDERHOGVUWMHHD-UHFFFAOYSA-N -1 0 343.343 2.024 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(N2CCC(n3cc(C(=O)[O-])cn3)CC2)c1 ZINC000565042039 319142760 /nfs/dbraw/zinc/14/27/60/319142760.db2.gz ZNYYSLDIGZICHV-UHFFFAOYSA-N -1 0 346.343 2.340 20 5 EEBDRM CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000566178807 319256630 /nfs/dbraw/zinc/25/66/30/319256630.db2.gz AFMHFNGHNYTMKP-SNVBAGLBSA-N -1 0 342.373 2.246 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(NCCc2ccc(OCC(=O)[O-])cc2)n1 ZINC000566297296 319271414 /nfs/dbraw/zinc/27/14/14/319271414.db2.gz HCSKZNNCHWAYIH-UHFFFAOYSA-N -1 0 331.328 2.416 20 5 EEBDRM CCCC[C@H](C)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566316823 319274199 /nfs/dbraw/zinc/27/41/99/319274199.db2.gz QLCMJXHGMUKPKW-JTQLQIEISA-N -1 0 344.389 2.492 20 5 EEBDRM CCCOc1ncccc1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000573729647 319960979 /nfs/dbraw/zinc/96/09/79/319960979.db2.gz ZEUBLLKFPGXDFI-UHFFFAOYSA-N -1 0 332.316 2.484 20 5 EEBDRM Cc1cccc(N2CCC(n3cnc(C(=O)[O-])c3N)CC2)c1[N+](=O)[O-] ZINC000576468491 320174896 /nfs/dbraw/zinc/17/48/96/320174896.db2.gz FPDYUHYPCDMSMN-UHFFFAOYSA-N -1 0 345.359 2.222 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000458332581 323617566 /nfs/dbraw/zinc/61/75/66/323617566.db2.gz MARAMROLKVVBNN-DZGCQCFKSA-N -1 0 334.372 2.314 20 5 EEBDRM Cn1cc(C[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)C2)cn1 ZINC000580716438 324117907 /nfs/dbraw/zinc/11/79/07/324117907.db2.gz HIVCDQVSJCZOGI-NSHDSACASA-N -1 0 330.344 2.096 20 5 EEBDRM CC(C)n1ncc2c1C[C@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC000580956766 324158441 /nfs/dbraw/zinc/15/84/41/324158441.db2.gz FLLDWGSCLFBWCV-LLVKDONJSA-N -1 0 345.359 2.435 20 5 EEBDRM Cc1cc(NCCC(C)(C)S(C)(=O)=O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581610356 324289018 /nfs/dbraw/zinc/28/90/18/324289018.db2.gz KRNYYEMRIGQGGS-UHFFFAOYSA-N -1 0 344.389 2.227 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000325775530 465029768 /nfs/dbraw/zinc/02/97/68/465029768.db2.gz KVQMCOMZDJNTQM-OAHLLOKOSA-N -1 0 328.324 2.122 20 5 EEBDRM CCC(CC)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000336870453 465063059 /nfs/dbraw/zinc/06/30/59/465063059.db2.gz JONGMGBAKJEKMI-UHFFFAOYSA-N -1 0 344.389 2.073 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2[nH]c(=O)[nH]c2n1 ZINC000339357718 465222781 /nfs/dbraw/zinc/22/27/81/465222781.db2.gz UKNOBRQJXOVOJS-UHFFFAOYSA-N -1 0 349.690 2.183 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000062933144 462626484 /nfs/dbraw/zinc/62/64/84/462626484.db2.gz XJOUYGAPUAYPKL-LLVKDONJSA-N -1 0 330.138 2.053 20 5 EEBDRM O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000063701463 462663859 /nfs/dbraw/zinc/66/38/59/462663859.db2.gz SCOPWPDNUAOVDL-UHFFFAOYSA-N -1 0 347.293 2.057 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)n(C)n1 ZINC000116602996 462766628 /nfs/dbraw/zinc/76/66/28/462766628.db2.gz IUUDUQCVCPKPFI-UHFFFAOYSA-N -1 0 338.389 2.254 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000091054380 462827578 /nfs/dbraw/zinc/82/75/78/462827578.db2.gz OMNBCXOMFBBQAM-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM O=C(Nc1nncs1)c1ccc([N+](=O)[O-])cc1Br ZINC000132194521 462844596 /nfs/dbraw/zinc/84/45/96/462844596.db2.gz BYCDXJGLKJYONL-UHFFFAOYSA-N -1 0 329.135 2.461 20 5 EEBDRM CCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cn1 ZINC000132282860 462848331 /nfs/dbraw/zinc/84/83/31/462848331.db2.gz HIHOQDZAERKCAX-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000055636168 463337734 /nfs/dbraw/zinc/33/77/34/463337734.db2.gz KRBWBEDWWATYLW-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM CC(=O)Nc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000184932816 463721839 /nfs/dbraw/zinc/72/18/39/463721839.db2.gz CCEJFDJNRFQOBF-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000178200804 463861083 /nfs/dbraw/zinc/86/10/83/463861083.db2.gz VGYADQVDCDDPIS-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nnc(C2CC2)o1 ZINC000194725863 463917344 /nfs/dbraw/zinc/91/73/44/463917344.db2.gz YPGXKFGMJAJQQZ-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)o1 ZINC000194740107 463920713 /nfs/dbraw/zinc/92/07/13/463920713.db2.gz JNNWJOJYVAJHNO-UHFFFAOYSA-N -1 0 340.361 2.294 20 5 EEBDRM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000262071337 463939043 /nfs/dbraw/zinc/93/90/43/463939043.db2.gz BRNXZAWMSKDMMI-NXEZZACHSA-N -1 0 346.261 2.238 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCN(c2nccs2)CC1 ZINC000186274583 463966219 /nfs/dbraw/zinc/96/62/19/463966219.db2.gz IZUPXKLEJUCKKL-UHFFFAOYSA-N -1 0 348.384 2.109 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262343874 464006761 /nfs/dbraw/zinc/00/67/61/464006761.db2.gz GMSDIPRIGHODQU-HONMWMINSA-N -1 0 333.344 2.156 20 5 EEBDRM CCCC(O)(CCC)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262351021 464008089 /nfs/dbraw/zinc/00/80/89/464008089.db2.gz BIJJHKNAGJJBGY-UHFFFAOYSA-N -1 0 338.360 2.354 20 5 EEBDRM CCOc1ccc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263342730 464087805 /nfs/dbraw/zinc/08/78/05/464087805.db2.gz SKBUPUIVDVOIMQ-INIZCTEOSA-N -1 0 336.344 2.320 20 5 EEBDRM Cn1ccnc1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179547200 464155091 /nfs/dbraw/zinc/15/50/91/464155091.db2.gz GQXUHDFJHXLMFA-GFCCVEGCSA-N -1 0 344.371 2.129 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000292468385 464243455 /nfs/dbraw/zinc/24/34/55/464243455.db2.gz HHWUZZZLEIMQFY-HUUCEWRRSA-N -1 0 332.356 2.474 20 5 EEBDRM O=C([O-])c1csc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000173656875 464303643 /nfs/dbraw/zinc/30/36/43/464303643.db2.gz VGJNCNGHEMGPHS-ZZXKWVIFSA-N -1 0 333.325 2.079 20 5 EEBDRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)s1 ZINC000180758134 464387743 /nfs/dbraw/zinc/38/77/43/464387743.db2.gz AQSWRQJPCAHQGP-UHFFFAOYSA-N -1 0 328.375 2.172 20 5 EEBDRM Cn1c(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)nc2ccccc21 ZINC000175345515 464530382 /nfs/dbraw/zinc/53/03/82/464530382.db2.gz KITWAIZYSWJAHI-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1[N+](=O)[O-] ZINC000192134825 464872027 /nfs/dbraw/zinc/87/20/27/464872027.db2.gz CQIVPABHBDAJQC-UHFFFAOYSA-N -1 0 344.286 2.390 20 5 EEBDRM C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000276548231 464974602 /nfs/dbraw/zinc/97/46/02/464974602.db2.gz KCABUYKQPKNIMG-MRVPVSSYSA-N -1 0 341.751 2.151 20 5 EEBDRM CN(C)C(=O)c1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC000356805432 465549856 /nfs/dbraw/zinc/54/98/56/465549856.db2.gz RBJXIFIVAPJOPE-UHFFFAOYSA-N -1 0 347.302 2.394 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCOc2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000362497736 465783291 /nfs/dbraw/zinc/78/32/91/465783291.db2.gz JSXAUMSPJCWCCR-UHFFFAOYSA-N -1 0 348.286 2.241 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000362746286 465996185 /nfs/dbraw/zinc/99/61/85/465996185.db2.gz UGGZTAQGOUETNR-GFCCVEGCSA-N -1 0 346.314 2.407 20 5 EEBDRM Cc1cc(C(=O)NCc2cccc(OCC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000362807541 466042654 /nfs/dbraw/zinc/04/26/54/466042654.db2.gz VOGNIEAUMPMRGY-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM CC[C@H](C)n1nc([N-]c2ncc(C(=O)OC)cc2[N+](=O)[O-])cc1C ZINC000357681910 466210817 /nfs/dbraw/zinc/21/08/17/466210817.db2.gz JTNYPMZEIDRBBM-VIFPVBQESA-N -1 0 333.348 2.996 20 5 EEBDRM CC(C)c1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1[N+](=O)[O-] ZINC000372614149 466507320 /nfs/dbraw/zinc/50/73/20/466507320.db2.gz VEGCWDNBKGKTEU-LBPRGKRZSA-N -1 0 344.375 2.251 20 5 EEBDRM Cc1noc(C2(C)CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)n1 ZINC000363699634 466567990 /nfs/dbraw/zinc/56/79/90/466567990.db2.gz XAFOPJHKNYZIFS-UHFFFAOYSA-N -1 0 346.343 2.186 20 5 EEBDRM O=C([O-])c1cnc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000391754001 467422352 /nfs/dbraw/zinc/42/23/52/467422352.db2.gz BAEIIGZEKFJLHH-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OC ZINC000436640852 467548733 /nfs/dbraw/zinc/54/87/33/467548733.db2.gz ZAKDISCAHVGPPM-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM COc1nc(C)cc(C)c1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436748302 467553251 /nfs/dbraw/zinc/55/32/51/467553251.db2.gz OQIFPSCBBPINCC-UHFFFAOYSA-N -1 0 331.328 2.251 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@]2(C)CCO[C@@H]2C2CC2)n1 ZINC000574920030 468132615 /nfs/dbraw/zinc/13/26/15/468132615.db2.gz VPVUHLLGESXTBA-CJNGLKHVSA-N -1 0 335.360 2.614 20 5 EEBDRM CCCN(CCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000570393191 468632380 /nfs/dbraw/zinc/63/23/80/468632380.db2.gz COPCHIFMZRFPTE-UHFFFAOYSA-N -1 0 330.362 2.104 20 5 EEBDRM CCCCN(C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000592135892 468633855 /nfs/dbraw/zinc/63/38/55/468633855.db2.gz PHEXHIYGIGAQQX-UHFFFAOYSA-N -1 0 342.373 2.246 20 5 EEBDRM C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@H]1C ZINC000592136530 468634315 /nfs/dbraw/zinc/63/43/15/468634315.db2.gz KIPHOFHSTXSEMO-ZJUUUORDSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C(NCc1cccnc1N1CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000597940264 468718070 /nfs/dbraw/zinc/71/80/70/468718070.db2.gz GSITYPHFFBQRRI-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM O=C([O-])c1cnc(N[C@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000583696006 468742776 /nfs/dbraw/zinc/74/27/76/468742776.db2.gz AZUVPIXPHAOWJA-IINYFYTJSA-N -1 0 339.373 2.155 20 5 EEBDRM Cc1c([C@@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cnn1C ZINC000592749843 468774819 /nfs/dbraw/zinc/77/48/19/468774819.db2.gz YUFWGJDTWIVHOD-SSDOTTSWSA-N -1 0 338.751 2.487 20 5 EEBDRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595252481 468793509 /nfs/dbraw/zinc/79/35/09/468793509.db2.gz ZVOVJDIVMJUJSD-YOEHRIQHSA-N -1 0 345.355 2.378 20 5 EEBDRM CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)[O-] ZINC000595282896 468799424 /nfs/dbraw/zinc/79/94/24/468799424.db2.gz RWCCKTVREJLCNN-NXEZZACHSA-N -1 0 326.374 2.397 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c1 ZINC000571646084 468817557 /nfs/dbraw/zinc/81/75/57/468817557.db2.gz YLFPHLWRWPEVKL-RFAUZJTJSA-N -1 0 338.385 2.500 20 5 EEBDRM O=C([O-])c1ccc(N2CCCN(c3ccc([N+](=O)[O-])s3)CC2)nc1 ZINC000592981051 468833640 /nfs/dbraw/zinc/83/36/40/468833640.db2.gz ZDVUXFPHQQGMRX-UHFFFAOYSA-N -1 0 348.384 2.466 20 5 EEBDRM CCC[C@@](C)(NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000584348800 468851895 /nfs/dbraw/zinc/85/18/95/468851895.db2.gz KYOZTNILQZJAHF-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000598479687 468880491 /nfs/dbraw/zinc/88/04/91/468880491.db2.gz HOQDFZWJDIYMFC-BLLLJJGKSA-N -1 0 336.344 2.152 20 5 EEBDRM Cc1cc(N2CCC[C@@H](c3nncn3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572409906 468928951 /nfs/dbraw/zinc/92/89/51/468928951.db2.gz GOFIODMHVZHFFR-LLVKDONJSA-N -1 0 345.359 2.114 20 5 EEBDRM CC(C)[C@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C(=O)[O-] ZINC000595965692 469099610 /nfs/dbraw/zinc/09/96/10/469099610.db2.gz HNVFVNUXTMIPGD-ZDUSSCGKSA-N -1 0 341.339 2.092 20 5 EEBDRM O=C(NC[C@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000610880071 469100843 /nfs/dbraw/zinc/10/08/43/469100843.db2.gz ROKROYQQMZXXNF-OAHLLOKOSA-N -1 0 328.324 2.344 20 5 EEBDRM O=C(Nc1nncn1Cc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000610891500 469106193 /nfs/dbraw/zinc/10/61/93/469106193.db2.gz AZBWQNJPEGSUQY-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=c1[nH]ccc(N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000596084225 469146091 /nfs/dbraw/zinc/14/60/91/469146091.db2.gz YENGMZDSOLFYJJ-CHWSQXEVSA-N -1 0 326.356 2.268 20 5 EEBDRM CC(C)[C@]1(C(=O)[O-])CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000573924843 469232295 /nfs/dbraw/zinc/23/22/95/469232295.db2.gz ZLISBOQNFUUCKT-INIZCTEOSA-N -1 0 330.344 2.475 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@](C)(O)C2CCCCC2)n1 ZINC000565035903 469265270 /nfs/dbraw/zinc/26/52/70/469265270.db2.gz NSUXLJYNNCOTPX-INIZCTEOSA-N -1 0 337.376 2.740 20 5 EEBDRM CC(=O)N[C@H]1Cc2ccccc2N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000611561103 469279316 /nfs/dbraw/zinc/27/93/16/469279316.db2.gz JKBSICPSVDTPKX-HNNXBMFYSA-N -1 0 341.367 2.368 20 5 EEBDRM COc1cc(CNCc2nn(C)c3ccccc23)c([N+](=O)[O-])cc1O ZINC000612692100 469528058 /nfs/dbraw/zinc/52/80/58/469528058.db2.gz UOKGIFHTWXCQRE-UHFFFAOYSA-N -1 0 342.355 2.486 20 5 EEBDRM CC[C@](C)([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1nccs1 ZINC000610264571 469996441 /nfs/dbraw/zinc/99/64/41/469996441.db2.gz CCYVGKAYAALHDA-LBPRGKRZSA-N -1 0 342.402 2.050 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000738482886 576482760 /nfs/dbraw/zinc/48/27/60/576482760.db2.gz QGVVFGJLTHICPA-UHFFFAOYSA-N -1 0 336.329 2.024 20 5 EEBDRM O=C([O-])CCCOC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000738581209 576610825 /nfs/dbraw/zinc/61/08/25/576610825.db2.gz SMAHGGWQRFGOLD-UHFFFAOYSA-N -1 0 332.106 2.379 20 5 EEBDRM CN1CCOc2cc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc21 ZINC000773339576 577334649 /nfs/dbraw/zinc/33/46/49/577334649.db2.gz QFFBDJGPUCQGBJ-UHFFFAOYSA-N -1 0 329.312 2.381 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1O ZINC000768889594 577565100 /nfs/dbraw/zinc/56/51/00/577565100.db2.gz GRTNQFPDVINYIP-UHFFFAOYSA-N -1 0 330.343 2.171 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000768968967 577566730 /nfs/dbraw/zinc/56/67/30/577566730.db2.gz IHIPDBIXMUPOQR-UHFFFAOYSA-N -1 0 347.283 2.147 20 5 EEBDRM O=C(NC[C@H](O)c1ccccc1Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769504377 577579377 /nfs/dbraw/zinc/57/93/77/577579377.db2.gz WXLLCNAVNORPCY-AWEZNQCLSA-N -1 0 336.731 2.417 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000764038517 577730184 /nfs/dbraw/zinc/73/01/84/577730184.db2.gz SJRSVUAGBIDROR-SECBINFHSA-N -1 0 340.382 2.265 20 5 EEBDRM O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755417279 577824930 /nfs/dbraw/zinc/82/49/30/577824930.db2.gz KZCBUPRKYISFEW-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM CC[C@H](SC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000747197801 577940750 /nfs/dbraw/zinc/94/07/50/577940750.db2.gz ORSIJIVUJMYTDH-LBPRGKRZSA-N -1 0 346.430 2.158 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cnn(CC(F)F)c2)cc([N+](=O)[O-])c1 ZINC000738672028 578023405 /nfs/dbraw/zinc/02/34/05/578023405.db2.gz BEOWOCSRRHCOBL-UHFFFAOYSA-N -1 0 340.242 2.007 20 5 EEBDRM Cc1nn(CCC(=O)Nc2ccsc2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738922008 578031106 /nfs/dbraw/zinc/03/11/06/578031106.db2.gz YLARXQJBNBZRHI-UHFFFAOYSA-N -1 0 338.345 2.197 20 5 EEBDRM NC(=O)[C@@H]1CCC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000739152399 578041025 /nfs/dbraw/zinc/04/10/25/578041025.db2.gz HFDKQBVVBMQUTQ-OXTPZFROSA-N -1 0 333.344 2.149 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000739339059 578048993 /nfs/dbraw/zinc/04/89/93/578048993.db2.gz XFXNARUNRYGBPG-CQSZACIVSA-N -1 0 347.352 2.024 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCOC[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000739625552 578061366 /nfs/dbraw/zinc/06/13/66/578061366.db2.gz QEBGTAICUGFSJG-LSYFEZSPSA-N -1 0 336.344 2.158 20 5 EEBDRM O=C([O-])CCc1nc(COc2cc(Cl)ccc2[N+](=O)[O-])no1 ZINC000739775012 578067378 /nfs/dbraw/zinc/06/73/78/578067378.db2.gz KYINJMVDUBFWLQ-UHFFFAOYSA-N -1 0 327.680 2.227 20 5 EEBDRM O=C([O-])NCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000739947167 578074968 /nfs/dbraw/zinc/07/49/68/578074968.db2.gz RXILTPMRSLZUMW-UHFFFAOYSA-N -1 0 336.329 2.315 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(OC(F)F)c1 ZINC000740150524 578082991 /nfs/dbraw/zinc/08/29/91/578082991.db2.gz SAZVMNYGTLZPFI-UHFFFAOYSA-N -1 0 341.226 2.475 20 5 EEBDRM O=C([O-])c1ccoc1COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000740251593 578087569 /nfs/dbraw/zinc/08/75/69/578087569.db2.gz HZLRXPSRQBNBIP-UHFFFAOYSA-N -1 0 349.251 2.014 20 5 EEBDRM CC(C)(C)[C@@H](O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736257333 578190834 /nfs/dbraw/zinc/19/08/34/578190834.db2.gz RVUQHDJMBOFZOU-JTQLQIEISA-N -1 0 327.293 2.020 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NCCCC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657117 578216845 /nfs/dbraw/zinc/21/68/45/578216845.db2.gz OSIKFZAWSDWHJZ-JTQLQIEISA-N -1 0 335.360 2.400 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NC[C@@H]2CC2(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657982 578216877 /nfs/dbraw/zinc/21/68/77/578216877.db2.gz XFUNZGNENYSNFX-KOLCDFICSA-N -1 0 335.360 2.256 20 5 EEBDRM CCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736839751 578226572 /nfs/dbraw/zinc/22/65/72/578226572.db2.gz KHZMIRHEOQKJOY-ZDUSSCGKSA-N -1 0 349.343 2.023 20 5 EEBDRM CN(C)c1ncc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])n1C ZINC000737384336 578253951 /nfs/dbraw/zinc/25/39/51/578253951.db2.gz VGVSLQHMDFQCMD-ALCCZGGFSA-N -1 0 345.359 2.104 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000821392488 598155715 /nfs/dbraw/zinc/15/57/15/598155715.db2.gz SYYMYTJKXPPYJV-UHFFFAOYSA-N -1 0 344.279 2.089 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000833253153 600730852 /nfs/dbraw/zinc/73/08/52/600730852.db2.gz LTLWOIHPMALZEA-UHFFFAOYSA-N -1 0 349.265 2.164 20 5 EEBDRM CN(CC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000830670131 600870742 /nfs/dbraw/zinc/87/07/42/600870742.db2.gz XEHZTFVIGOLOMJ-AWEZNQCLSA-N -1 0 349.368 2.035 20 5 EEBDRM CN(C)c1ncccc1N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000830651089 601194541 /nfs/dbraw/zinc/19/45/41/601194541.db2.gz HZBFDWMXJAQTLR-UHFFFAOYSA-N -1 0 344.327 2.031 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000830398254 601388858 /nfs/dbraw/zinc/38/88/58/601388858.db2.gz JDTMABNFNBRDGG-UHFFFAOYSA-N -1 0 343.295 2.207 20 5 EEBDRM CCOC[C@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829989404 601434261 /nfs/dbraw/zinc/43/42/61/601434261.db2.gz BEZXFJMCSQNYRY-VIFPVBQESA-N -1 0 339.304 2.064 20 5 EEBDRM Cc1sc(C(N)=O)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833034322 602304025 /nfs/dbraw/zinc/30/40/25/602304025.db2.gz YPQMPYMOACXQBF-UHFFFAOYSA-N -1 0 349.324 2.014 20 5 EEBDRM Cc1cc(NCC(=O)NC2CCCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896395 602315904 /nfs/dbraw/zinc/31/59/04/602315904.db2.gz IMPHGNYLPVABOJ-UHFFFAOYSA-N -1 0 335.360 2.462 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000833770094 604734274 /nfs/dbraw/zinc/73/42/74/604734274.db2.gz WKDCJJCCFBAPRG-LBPRGKRZSA-N -1 0 331.687 2.279 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000833623781 604876955 /nfs/dbraw/zinc/87/69/55/604876955.db2.gz QVQRPPPDDHRMPL-CPCISQLKSA-N -1 0 346.261 2.406 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000819940488 605399698 /nfs/dbraw/zinc/39/96/98/605399698.db2.gz KCPVXGVTUWXDNY-UHFFFAOYSA-N -1 0 330.287 2.446 20 5 EEBDRM C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000833525656 605420566 /nfs/dbraw/zinc/42/05/66/605420566.db2.gz QSQYCBFUMCQQQH-BREXMAIKSA-N -1 0 343.343 2.403 20 5 EEBDRM O=C([O-])Cc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000833776698 605802769 /nfs/dbraw/zinc/80/27/69/605802769.db2.gz OPSGJUVQXSLEIH-UHFFFAOYSA-N -1 0 349.270 2.345 20 5 EEBDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000178200342 676731948 /nfs/dbraw/zinc/73/19/48/676731948.db2.gz AAWNGAGJDVEXOX-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000122585161 683405315 /nfs/dbraw/zinc/40/53/15/683405315.db2.gz LCGFZAMTUQBGFI-LBPRGKRZSA-N -1 0 348.380 2.345 20 5 EEBDRM C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[C@@H]1C(=O)[O-] ZINC000863734197 1197843745 /nfs/dbraw/zinc/84/37/45/1197843745.db2.gz LNIOOTZMHDSLPZ-ONGXEEELSA-N -1 0 333.344 2.027 20 5 EEBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000778824449 1208365740 /nfs/dbraw/zinc/36/57/40/1208365740.db2.gz GGLBYKKIBUKQRU-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM CC(C)CCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000133548125 1249094179 /nfs/dbraw/zinc/09/41/79/1249094179.db2.gz HHAXBFXQZKSOIA-UHFFFAOYSA-N -1 0 349.796 2.072 20 5 EEBDRM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000800387734 1234094735 /nfs/dbraw/zinc/09/47/35/1234094735.db2.gz SQBRSQUGYQWKAM-VIFPVBQESA-N -1 0 332.353 2.365 20 5 EEBDRM CCOC(=O)CS(=O)(=O)[N-]c1cccc2nc3ccccc3nc12 ZINC001195974917 1283827707 /nfs/dbraw/zinc/82/77/07/1283827707.db2.gz MKQXIBMGVFLFBC-UHFFFAOYSA-N -1 0 345.380 2.088 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001211289902 1295801341 /nfs/dbraw/zinc/80/13/41/1295801341.db2.gz MJJWFTHRUABZAD-UHFFFAOYSA-N -1 0 333.325 2.079 20 5 EEBDRM COc1ncc(Cl)cc1-c1noc(-c2cnc([N+](=O)[O-])c([O-])c2)n1 ZINC001213596227 1296102003 /nfs/dbraw/zinc/10/20/03/1296102003.db2.gz SGBICYSBPOPCCI-UHFFFAOYSA-N -1 0 349.690 2.469 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC001225980953 1301221008 /nfs/dbraw/zinc/22/10/08/1301221008.db2.gz SXBKMVZBNTXDNS-ZCFIWIBFSA-N -1 0 347.253 2.082 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC001226649986 1301493772 /nfs/dbraw/zinc/49/37/72/1301493772.db2.gz MOCWWXQAWUDVDK-QMMMGPOBSA-N -1 0 325.321 2.225 20 5 EEBDRM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1nc3ncnc-3c(S)[n-]1)C2 ZINC001226779993 1301552265 /nfs/dbraw/zinc/55/22/65/1301552265.db2.gz BVMJCHSKJANYLO-JTQLQIEISA-N -1 0 329.341 2.096 20 5 EEBDRM CO[C@H](C)CO[C@@H](C)COc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095561 1301686032 /nfs/dbraw/zinc/68/60/32/1301686032.db2.gz RSEQZMDUERRDOY-ZJUUUORDSA-N -1 0 337.332 2.062 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCOC(C)(C)C2)cc1[O-] ZINC001228813291 1302464163 /nfs/dbraw/zinc/46/41/63/1302464163.db2.gz ATTGRQKNRUIREY-SECBINFHSA-N -1 0 325.317 2.423 20 5 EEBDRM C[C@H](CN1CCOCC1)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC001233501292 1304486410 /nfs/dbraw/zinc/48/64/10/1304486410.db2.gz YJENQZJOZXPVSL-SECBINFHSA-N -1 0 340.767 2.224 20 5 EEBDRM CC(C)O[N-]C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC001117817108 1306176837 /nfs/dbraw/zinc/17/68/37/1306176837.db2.gz UBIUNGHLPYDFML-UHFFFAOYSA-N -1 0 346.181 2.250 20 5 EEBDRM CC(C)(C)OC(=O)CCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837682125 1315102993 /nfs/dbraw/zinc/10/29/93/1315102993.db2.gz SHPQKQCXNJFWFV-UHFFFAOYSA-N -1 0 325.317 2.466 20 5 EEBDRM CC(=O)N[C@H](CC1CCC1)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837689948 1315103692 /nfs/dbraw/zinc/10/36/92/1315103692.db2.gz DNQXNTKQHXKJRL-CQSZACIVSA-N -1 0 336.344 2.039 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000842405136 1315698582 /nfs/dbraw/zinc/69/85/82/1315698582.db2.gz GNJPASQVVICKCW-UHFFFAOYSA-N -1 0 340.401 2.430 20 5 EEBDRM COC(=O)[C@H](Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC001163504419 1321142952 /nfs/dbraw/zinc/14/29/52/1321142952.db2.gz SNSYRYIXHUSXLD-CQSZACIVSA-N -1 0 346.295 2.325 20 5 EEBDRM COc1ncc(Nc2nc[n-]c(=O)c2Br)cc1[N+](=O)[O-] ZINC001210136172 1325174111 /nfs/dbraw/zinc/17/41/11/1325174111.db2.gz HEXJCANBELSDQT-UHFFFAOYSA-N -1 0 342.109 2.000 20 5 EEBDRM Cc1c(OS(=O)(=O)CCCCCC(=O)[O-])cccc1[N+](=O)[O-] ZINC001600056568 1349963273 /nfs/dbraw/zinc/96/32/73/1349963273.db2.gz IAWHQTYYABGEJI-UHFFFAOYSA-N -1 0 331.346 2.257 20 5 EEBDRM Cc1cc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)ccc1[N+](=O)[O-] ZINC001600086618 1349968410 /nfs/dbraw/zinc/96/84/10/1349968410.db2.gz JERNNDUGMMUKOU-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1cc(C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC001600138131 1349978252 /nfs/dbraw/zinc/97/82/52/1349978252.db2.gz FKNYMTKKRSTFGJ-UHFFFAOYSA-N -1 0 348.311 2.488 20 5 EEBDRM O=C(NCC1CC1)C1(NCc2cc([O-])ccc2[N+](=O)[O-])CCCC1 ZINC001307550198 1331539530 /nfs/dbraw/zinc/53/95/30/1331539530.db2.gz LMPUKRSLKIRBSP-UHFFFAOYSA-N -1 0 333.388 2.229 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]Cc2cncc(C)c2)c([N+](=O)[O-])s1 ZINC001309362020 1331626681 /nfs/dbraw/zinc/62/66/81/1331626681.db2.gz VOXLJPFSEFRUDM-UHFFFAOYSA-N -1 0 327.387 2.147 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1[O-] ZINC001309675332 1331638511 /nfs/dbraw/zinc/63/85/11/1331638511.db2.gz NWOXFOGGIFYTTD-FKTZTGRPSA-N -1 0 348.327 2.013 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H]2CCC[C@@]3(CCOC3)O2)c([N+](=O)[O-])c1 ZINC001608906100 1351790936 /nfs/dbraw/zinc/79/09/36/1351790936.db2.gz DFRHIBVUVFTGDV-LRDDRELGSA-N -1 0 337.328 2.400 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cncnc2C2CC2)cc1[N+](=O)[O-] ZINC001608906551 1351791481 /nfs/dbraw/zinc/79/14/81/1351791481.db2.gz LHKAGXHWVOPCHI-UHFFFAOYSA-N -1 0 329.268 2.180 20 5 EEBDRM O=C([O-])c1cnc([C@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)s1 ZINC001608970007 1351804743 /nfs/dbraw/zinc/80/47/43/1351804743.db2.gz XSBAKWAGHBMLKG-LURJTMIESA-N -1 0 326.359 2.200 20 5 EEBDRM CC[C@@H](C)n1nc([N-]c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1C ZINC001609187400 1351882093 /nfs/dbraw/zinc/88/20/93/1351882093.db2.gz CPPDPCALXAMBIT-MRVPVSSYSA-N -1 0 343.351 2.389 20 5 EEBDRM CC(C)[C@@H]1C[C@H]1CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001609715975 1352066696 /nfs/dbraw/zinc/06/66/96/1352066696.db2.gz MMKDZQZLOXWGAK-RYUDHWBXSA-N -1 0 335.360 2.113 20 5 EEBDRM C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC001609771199 1352081041 /nfs/dbraw/zinc/08/10/41/1352081041.db2.gz GFVUUJGOIBRNAG-RXMQYKEDSA-N -1 0 327.343 2.302 20 5 EEBDRM C[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001609848117 1352100525 /nfs/dbraw/zinc/10/05/25/1352100525.db2.gz SETVLKUMCGJTMR-NXEZZACHSA-N -1 0 342.373 2.008 20 5 EEBDRM CCCc1[nH]nc(C(=O)OCc2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC001609981293 1352133758 /nfs/dbraw/zinc/13/37/58/1352133758.db2.gz ANYQPWOWRCRHAD-UHFFFAOYSA-N -1 0 333.300 2.326 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)OCc2ccc(C(=O)[O-])cn2)c1F ZINC001610478495 1352229295 /nfs/dbraw/zinc/22/92/95/1352229295.db2.gz NZSNNFNMMMYGQW-UHFFFAOYSA-N -1 0 334.259 2.493 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC001610511150 1352236153 /nfs/dbraw/zinc/23/61/53/1352236153.db2.gz CFFOPQUOAGAJRP-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)OCCOc1ccccc1C(=O)[O-] ZINC001610648503 1352257405 /nfs/dbraw/zinc/25/74/05/1352257405.db2.gz WGOUHLMQJPBSPX-UHFFFAOYSA-N -1 0 346.295 2.111 20 5 EEBDRM O=C([O-])c1ccc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC001610833055 1352282329 /nfs/dbraw/zinc/28/23/29/1352282329.db2.gz LHHDXNHXDKCDLA-UHFFFAOYSA-N -1 0 332.243 2.388 20 5 EEBDRM O=C([O-])c1ccc(OCc2ncn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC001610837452 1352282950 /nfs/dbraw/zinc/28/29/50/1352282950.db2.gz BMVQIFZHFCRDKY-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2ncnn2-c2ccccc2)c1 ZINC001610840853 1352283306 /nfs/dbraw/zinc/28/33/06/1352283306.db2.gz DUUOFLDAYVZMKV-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CNc2ccc3c(c2)C(=O)NC3)c1 ZINC001610841907 1352283726 /nfs/dbraw/zinc/28/37/26/1352283726.db2.gz KHFJNHCOLIHQAN-UHFFFAOYSA-N -1 0 327.296 2.149 20 5 EEBDRM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C(F)(F)F ZINC001589291854 1348979566 /nfs/dbraw/zinc/97/95/66/1348979566.db2.gz BDBVXMQNTIIYOF-UHFFFAOYSA-N -1 0 331.258 2.170 20 5 EEBDRM Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc(-c2nn[nH]n2)c1 ZINC001592030177 1349585176 /nfs/dbraw/zinc/58/51/76/1349585176.db2.gz KRXUWHUHRRDYOU-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM Cc1c(C(=O)[O-])ccc(Cl)c1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001599996647 1349952014 /nfs/dbraw/zinc/95/20/14/1349952014.db2.gz IUZXCFAVFSIUGL-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2cccc(N3CCC3=O)c2)n1 ZINC001600106389 1349972076 /nfs/dbraw/zinc/97/20/76/1349972076.db2.gz NTXYPIWPOZNCBM-UHFFFAOYSA-N -1 0 342.311 2.477 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001600165231 1349983986 /nfs/dbraw/zinc/98/39/86/1349983986.db2.gz ZAZLIXPYRQIVJU-CQSZACIVSA-N -1 0 329.312 2.162 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001600304771 1350015529 /nfs/dbraw/zinc/01/55/29/1350015529.db2.gz LJJFYVVPZPYBRK-SDJAHQOYSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1ccc(C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])cc1[N+](=O)[O-] ZINC001600338410 1350023601 /nfs/dbraw/zinc/02/36/01/1350023601.db2.gz WURCNRIQBUXACV-CYBMUJFWSA-N -1 0 344.323 2.035 20 5 EEBDRM Cc1cccc(C(=O)NCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001600511884 1350069760 /nfs/dbraw/zinc/06/97/60/1350069760.db2.gz HWISRIMGDUABLC-UHFFFAOYSA-N -1 0 343.339 2.443 20 5 EEBDRM Cc1nc(N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])ncc1[N+](=O)[O-] ZINC001600714237 1350119961 /nfs/dbraw/zinc/11/99/61/1350119961.db2.gz MBMYHZKLYDTWHX-ZWNOBZJWSA-N -1 0 330.344 2.437 20 5 EEBDRM Cn1cnc([N+](=O)[O-])c1-c1noc(C23CCC(C(=O)[O-])(CC2)CC3)n1 ZINC001600991045 1350184318 /nfs/dbraw/zinc/18/43/18/1350184318.db2.gz NMCGJGAJWFZABE-UHFFFAOYSA-N -1 0 347.331 2.055 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001601214384 1350233054 /nfs/dbraw/zinc/23/30/54/1350233054.db2.gz XESIGWGPJZSSTC-UHFFFAOYSA-N -1 0 339.323 2.224 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@H]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC001601809110 1350369365 /nfs/dbraw/zinc/36/93/65/1350369365.db2.gz PQJBVUXVWLGIHC-WDEREUQCSA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@@H]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC001601809107 1350369526 /nfs/dbraw/zinc/36/95/26/1350369526.db2.gz PQJBVUXVWLGIHC-MNOVXSKESA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC001601847002 1350379401 /nfs/dbraw/zinc/37/94/01/1350379401.db2.gz HWWYOSUCXDIELU-AWEZNQCLSA-N -1 0 346.270 2.226 20 5 EEBDRM O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC001601876418 1350387610 /nfs/dbraw/zinc/38/76/10/1350387610.db2.gz VNHKHZUOOKUORS-OAHLLOKOSA-N -1 0 342.307 2.255 20 5 EEBDRM O=C([O-])COc1ccc(CN[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC001602082652 1350432983 /nfs/dbraw/zinc/43/29/83/1350432983.db2.gz BXNMUTVIXXYRFX-GFCCVEGCSA-N -1 0 330.287 2.336 20 5 EEBDRM O=C([O-])Cc1ccc(OC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001602130047 1350446125 /nfs/dbraw/zinc/44/61/25/1350446125.db2.gz NDNOSXSGDFQVOD-UHFFFAOYSA-N -1 0 331.280 2.206 20 5 EEBDRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001602211414 1350467478 /nfs/dbraw/zinc/46/74/78/1350467478.db2.gz NXYKWUFTCMLNIO-QJPTWQEYSA-N -1 0 340.282 2.019 20 5 EEBDRM O=C([O-])c1ccc(C(F)(F)F)nc1NCCn1cc([N+](=O)[O-])cn1 ZINC001602330128 1350495743 /nfs/dbraw/zinc/49/57/43/1350495743.db2.gz WTQHQIKGAODBBC-UHFFFAOYSA-N -1 0 345.237 2.015 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2CC(F)F)c1 ZINC001602405456 1350512004 /nfs/dbraw/zinc/51/20/04/1350512004.db2.gz XFRJYGRKMBGBTG-JTQLQIEISA-N -1 0 329.303 2.434 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC[C@@H]2CCC[C@]3(CCOC3)O2)c1 ZINC001602407269 1350512352 /nfs/dbraw/zinc/51/23/52/1350512352.db2.gz CUDMRZLCQHGPGD-BLLLJJGKSA-N -1 0 337.328 2.400 20 5 EEBDRM O=C([O-])c1ccnc(NCCc2nc3cc(F)ccc3[nH]2)c1[N+](=O)[O-] ZINC001602483796 1350529787 /nfs/dbraw/zinc/52/97/87/1350529787.db2.gz CHGQRFZWWJKLAE-UHFFFAOYSA-N -1 0 345.290 2.358 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cnc3cnccc3c2)cc1[N+](=O)[O-] ZINC001602621317 1350559467 /nfs/dbraw/zinc/55/94/67/1350559467.db2.gz MAIIYJQDDOHSLF-UHFFFAOYSA-N -1 0 339.263 2.455 20 5 EEBDRM O=C([O-])/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])CN1CCC(=O)CC1 ZINC001602646862 1350565295 /nfs/dbraw/zinc/56/52/95/1350565295.db2.gz RCJYHRFJUJUHNU-XFFZJAGNSA-N -1 0 338.747 2.381 20 5 EEBDRM CC(C)(C(=O)[O-])n1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC001603289949 1350680858 /nfs/dbraw/zinc/68/08/58/1350680858.db2.gz FZYYYLHBIWVCHL-UHFFFAOYSA-N -1 0 349.372 2.420 20 5 EEBDRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001604062375 1350843377 /nfs/dbraw/zinc/84/33/77/1350843377.db2.gz WIWNATXJVNEDTM-ATJFRQLMSA-N -1 0 329.312 2.089 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604314920 1350913770 /nfs/dbraw/zinc/91/37/70/1350913770.db2.gz PRJWUOIGYMMGRQ-NSHDSACASA-N -1 0 335.360 2.178 20 5 EEBDRM CC[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001605037500 1351064206 /nfs/dbraw/zinc/06/42/06/1351064206.db2.gz KRRJDDGKXMMAJB-ZETCQYMHSA-N -1 0 332.259 2.037 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C(=O)[O-])co1 ZINC001605061064 1351069657 /nfs/dbraw/zinc/06/96/57/1351069657.db2.gz OVNAGHAZVKJREB-LLVKDONJSA-N -1 0 347.327 2.166 20 5 EEBDRM CCC[C@H](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001605207199 1351103004 /nfs/dbraw/zinc/10/30/04/1351103004.db2.gz WELPSHRILBGEPB-JTQLQIEISA-N -1 0 344.389 2.398 20 5 EEBDRM CCCCN(CC)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001605277237 1351123251 /nfs/dbraw/zinc/12/32/51/1351123251.db2.gz RXXPRUOEFFTVSR-LLVKDONJSA-N -1 0 337.376 2.424 20 5 EEBDRM CCNc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001605501190 1351173030 /nfs/dbraw/zinc/17/30/30/1351173030.db2.gz KISAZMMIUMCCCE-NWDGAFQWSA-N -1 0 335.360 2.400 20 5 EEBDRM CCOC(=O)c1cc(N2CCC[C@@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001605564670 1351191616 /nfs/dbraw/zinc/19/16/16/1351191616.db2.gz FWADCQFWNUZNKW-MRXNPFEDSA-N -1 0 336.344 2.463 20 5 EEBDRM CCOC[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCO1 ZINC001605626093 1351203946 /nfs/dbraw/zinc/20/39/46/1351203946.db2.gz NOZLBOMOIBVESN-SNVBAGLBSA-N -1 0 344.751 2.188 20 5 EEBDRM COCC[C@H](C)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001606853009 1351367057 /nfs/dbraw/zinc/36/70/57/1351367057.db2.gz YHQCRBTYRQRJLH-QMMMGPOBSA-N -1 0 327.293 2.286 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001607445596 1351495467 /nfs/dbraw/zinc/49/54/67/1351495467.db2.gz NEXZJDZXWRALCK-ZYHUDNBSSA-N -1 0 338.335 2.378 20 5 EEBDRM C[C@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC001607454514 1351496777 /nfs/dbraw/zinc/49/67/77/1351496777.db2.gz GEHXMBBKTKZNAP-NSHDSACASA-N -1 0 346.343 2.147 20 5 EEBDRM Cc1c(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607542874 1351513092 /nfs/dbraw/zinc/51/30/92/1351513092.db2.gz SGYPCNGSKWEVNM-HWPZZCPQSA-N -1 0 349.343 2.290 20 5 EEBDRM Cc1c(NCC(=O)NCc2cccs2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607549961 1351514505 /nfs/dbraw/zinc/51/45/05/1351514505.db2.gz XYFTVWVNOMQMEL-UHFFFAOYSA-N -1 0 349.368 2.391 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001607654692 1351533825 /nfs/dbraw/zinc/53/38/25/1351533825.db2.gz CSFOCSUPNLOGDF-QMMMGPOBSA-N -1 0 327.724 2.495 20 5 EEBDRM Cc1oc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001608048673 1351613992 /nfs/dbraw/zinc/61/39/92/1351613992.db2.gz QIDJYABEPJVZRD-INIZCTEOSA-N -1 0 334.328 2.192 20 5 EEBDRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001608314408 1351669344 /nfs/dbraw/zinc/66/93/44/1351669344.db2.gz YBRYFGNYFKTBSN-DTWKUNHWSA-N -1 0 342.735 2.457 20 5 EEBDRM O=C([O-])c1cccc(OCC(=O)NCc2cccs2)c1[N+](=O)[O-] ZINC001608351591 1351676864 /nfs/dbraw/zinc/67/68/64/1351676864.db2.gz UXZHNJBXLCCVFI-UHFFFAOYSA-N -1 0 336.325 2.050 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccnc1 ZINC001608388996 1351684492 /nfs/dbraw/zinc/68/44/92/1351684492.db2.gz OWUHLOWYIASFBE-LBPRGKRZSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C(NC[C@H]1CCCN1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000830949850 1372359276 /nfs/dbraw/zinc/35/92/76/1372359276.db2.gz YFICOECVAKJLJR-SNVBAGLBSA-N -1 0 347.293 2.057 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-])cc(C)c1F ZINC000835335596 1372612458 /nfs/dbraw/zinc/61/24/58/1372612458.db2.gz CMRSDBPRXOPSDG-UHFFFAOYSA-N -1 0 346.380 2.083 20 5 EEBDRM CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606262203 1404778297 /nfs/dbraw/zinc/77/82/97/1404778297.db2.gz RIDXNCWLBHJORO-XVKPBYJWSA-N -1 0 341.751 2.273 20 5 EEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1F ZINC000177804834 1405764457 /nfs/dbraw/zinc/76/44/57/1405764457.db2.gz YOMBSPUZIDTXER-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cc(F)ccc1F ZINC000112160811 775424482 /nfs/dbraw/zinc/42/44/82/775424482.db2.gz GQVHTYRWAYUPRT-UHFFFAOYSA-N -1 0 348.308 2.053 20 5 EEBDRM O=C(NCCOC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(Cl)cc1 ZINC000816267182 783840800 /nfs/dbraw/zinc/84/08/00/783840800.db2.gz BNTGBXGNBZOTCQ-UHFFFAOYSA-N -1 0 337.719 2.163 20 5 EEBDRM CO[C@@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000910479775 786809857 /nfs/dbraw/zinc/80/98/57/786809857.db2.gz MXDAOMACGYCGCR-LBPRGKRZSA-N -1 0 334.250 2.294 20 5 EEBDRM Cc1ccc([C@@H](O)CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000844208067 788926452 /nfs/dbraw/zinc/92/64/52/788926452.db2.gz NMOBZQQMVGPOHE-ZDUSSCGKSA-N -1 0 331.328 2.450 20 5 EEBDRM Cc1cc(N2CCC(C3OCCO3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844209360 788928366 /nfs/dbraw/zinc/92/83/66/788928366.db2.gz RGNRDPGFDHUGLJ-UHFFFAOYSA-N -1 0 336.344 2.191 20 5 EEBDRM O=C([O-])Cc1ccc(N2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000844211863 788929547 /nfs/dbraw/zinc/92/95/47/788929547.db2.gz JGCFSBRXOCYFCH-AWEZNQCLSA-N -1 0 334.372 2.475 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(O)(c3ccccc3)CC2)n1 ZINC000844214341 788933638 /nfs/dbraw/zinc/93/36/38/788933638.db2.gz FGPZATLVUQEDHI-UHFFFAOYSA-N -1 0 343.339 2.176 20 5 EEBDRM COCCN(CCC(=O)[O-])Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000846270541 790110115 /nfs/dbraw/zinc/11/01/15/790110115.db2.gz ZXVRWHQNOUINLF-UHFFFAOYSA-N -1 0 349.343 2.173 20 5 EEBDRM CC(C)CCS(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111983841 797394374 /nfs/dbraw/zinc/39/43/74/797394374.db2.gz IUKJTLMBKMYKPH-UHFFFAOYSA-N -1 0 334.781 2.354 20 5 EEBDRM CC(C)(C)/C=C/C(=O)NCC1(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001110086512 807658388 /nfs/dbraw/zinc/65/83/88/807658388.db2.gz FUZBUUKAQBOSAM-GQCTYLIASA-N -1 0 334.376 2.358 20 5 EEBDRM CC[C@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589587272 949065731 /nfs/dbraw/zinc/06/57/31/949065731.db2.gz OZNKCQYFTJMUOP-YFKPBYRVSA-N -1 0 338.135 2.439 20 5 EEBDRM C[C@@H](C(=O)[O-])C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC001602796754 971563573 /nfs/dbraw/zinc/56/35/73/971563573.db2.gz FOMSBFICXIDSNC-MRVPVSSYSA-N -1 0 334.250 2.206 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000158999878 949372230 /nfs/dbraw/zinc/37/22/30/949372230.db2.gz ZMUVAQNVHYKKBP-SNVBAGLBSA-N -1 0 345.149 2.196 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CC1 ZINC001602815461 971617605 /nfs/dbraw/zinc/61/76/05/971617605.db2.gz VUCIFWFGUHAZSR-VIFPVBQESA-N -1 0 344.327 2.063 20 5 EEBDRM CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1[N+](=O)[O-] ZINC001592425519 951326116 /nfs/dbraw/zinc/32/61/16/951326116.db2.gz AEXNPIRTNYWFKQ-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC001593625561 953546742 /nfs/dbraw/zinc/54/67/42/953546742.db2.gz HFVGTZFAYHXWGW-UHFFFAOYSA-N -1 0 332.316 2.150 20 5 EEBDRM C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001589335537 953992167 /nfs/dbraw/zinc/99/21/67/953992167.db2.gz GOEOTLWXTSMDMT-RYUDHWBXSA-N -1 0 334.372 2.442 20 5 EEBDRM CC[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001589552403 955226421 /nfs/dbraw/zinc/22/64/21/955226421.db2.gz RUXYRXPRJJNGMQ-BXUZGUMPSA-N -1 0 332.360 2.118 20 5 EEBDRM CON(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC001594036676 957820386 /nfs/dbraw/zinc/82/03/86/957820386.db2.gz SKHUOFONYTVQBQ-MRVPVSSYSA-N -1 0 330.724 2.044 20 5 EEBDRM Cc1cc(COC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001594306523 957973844 /nfs/dbraw/zinc/97/38/44/957973844.db2.gz LSSUVMLGEXHCAK-OLZOCXBDSA-N -1 0 337.328 2.216 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC001594381106 958620952 /nfs/dbraw/zinc/62/09/52/958620952.db2.gz HSMJPNTVTKPPMA-UHFFFAOYSA-N -1 0 338.360 2.289 20 5 EEBDRM CC(C)(CCc1noc(-c2ccc(OCC(=O)[O-])cc2)n1)[N+](=O)[O-] ZINC001588778412 961289500 /nfs/dbraw/zinc/28/95/00/961289500.db2.gz XOZSITNSVCKUKZ-UHFFFAOYSA-N -1 0 335.316 2.188 20 5 EEBDRM CCc1nn(C)c(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001573963854 961703109 /nfs/dbraw/zinc/70/31/09/961703109.db2.gz FMHREQJOIZJCKB-QWHCGFSZSA-N -1 0 344.371 2.195 20 5 EEBDRM CN(C)c1cc(F)c(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1[N+](=O)[O-] ZINC001573991426 961832193 /nfs/dbraw/zinc/83/21/93/961832193.db2.gz HCZCLDNNXDMCAL-UHFFFAOYSA-N -1 0 348.290 2.145 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001574598885 962144976 /nfs/dbraw/zinc/14/49/76/962144976.db2.gz DAZAVODDJCPGDP-WDEREUQCSA-N -1 0 330.300 2.034 20 5 EEBDRM O=C([O-])/C=C/c1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])co1 ZINC001574665768 962506620 /nfs/dbraw/zinc/50/66/20/962506620.db2.gz MJHMBVCKJOPWRP-SNAWJCMRSA-N -1 0 328.280 2.489 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC001605833913 972569746 /nfs/dbraw/zinc/56/97/46/972569746.db2.gz RYVKFKIRMNESBE-BDAKNGLRSA-N -1 0 344.270 2.179 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001603389026 972999133 /nfs/dbraw/zinc/99/91/33/972999133.db2.gz VYZHXCXNZHWTNI-NXEZZACHSA-N -1 0 331.328 2.401 20 5 EEBDRM C[C@H](CC(=O)[O-])CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001592401149 977965341 /nfs/dbraw/zinc/96/53/41/977965341.db2.gz IDVJQVCWDPPBFT-SECBINFHSA-N -1 0 339.300 2.005 20 5 EEBDRM C[C@H](CN1CCCC1=O)Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001592617506 978588757 /nfs/dbraw/zinc/58/87/57/978588757.db2.gz VYUDNDKCKMKXIG-MRVPVSSYSA-N -1 0 341.751 2.369 20 5 EEBDRM C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)c1nncn1C ZINC001592728885 979238816 /nfs/dbraw/zinc/23/88/16/979238816.db2.gz HHOGPIAVSYIFJQ-ZETCQYMHSA-N -1 0 339.739 2.291 20 5 EEBDRM C[C@](NC(=O)[C@H]1CCCSC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593007263 980225457 /nfs/dbraw/zinc/22/54/57/980225457.db2.gz PLVJEXAMIUTOEH-ZUZCIYMTSA-N -1 0 338.385 2.154 20 5 EEBDRM C[C@@](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)(C(=O)[O-])C1CC1 ZINC001593040716 980326021 /nfs/dbraw/zinc/32/60/21/980326021.db2.gz VPMJTZDQFDPAIB-AWEZNQCLSA-N -1 0 326.736 2.160 20 5 EEBDRM CC[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](C)C(=O)[O-] ZINC001595353626 980683573 /nfs/dbraw/zinc/68/35/73/980683573.db2.gz TWTLWJSDPXWWAY-HZMBPMFUSA-N -1 0 347.327 2.437 20 5 EEBDRM CC[C@H](C)C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594943779 982623814 /nfs/dbraw/zinc/62/38/14/982623814.db2.gz YILCLOMOJAOSEB-JOYOIKCWSA-N -1 0 326.324 2.282 20 5 EEBDRM CCOC(=O)/C(=C/c1ccc(C(=O)[O-])o1)c1ccc([N+](=O)[O-])cn1 ZINC001596509524 984271718 /nfs/dbraw/zinc/27/17/18/984271718.db2.gz PGCNLGDEMTVFSE-YRNVUSSQSA-N -1 0 332.268 2.385 20 5 EEBDRM C[C@H](CN(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)[O-] ZINC001589031586 985068560 /nfs/dbraw/zinc/06/85/60/985068560.db2.gz TYRWOBZJROGNKP-LLVKDONJSA-N -1 0 338.363 2.474 20 5 EEBDRM C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H](C(=O)[O-])O1 ZINC001599929637 985286372 /nfs/dbraw/zinc/28/63/72/985286372.db2.gz BCXRYDCKEJCVEP-UFBFGSQYSA-N -1 0 348.277 2.288 20 5 EEBDRM Cc1[nH]c(C(=O)[C@H](C)Oc2cccnc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC001599948963 985575468 /nfs/dbraw/zinc/57/54/68/985575468.db2.gz UMGKXVMTRUSRIE-VIFPVBQESA-N -1 0 333.300 2.283 20 5 EEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)CC(=O)[O-])cc1OC ZINC001597044125 986502415 /nfs/dbraw/zinc/50/24/15/986502415.db2.gz CMLFFBTZRVSRNM-MRVPVSSYSA-N -1 0 327.289 2.022 20 5 EEBDRM CCc1ccc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c(C(=O)[O-])c1 ZINC001597542708 988232711 /nfs/dbraw/zinc/23/27/11/988232711.db2.gz IBWWFONANNUEKT-UHFFFAOYSA-N -1 0 346.343 2.389 20 5 EEBDRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC001589890890 988574370 /nfs/dbraw/zinc/57/43/70/988574370.db2.gz HQBYVVLGEYZEDK-UHFFFAOYSA-N -1 0 342.323 2.357 20 5 EEBDRM COc1nccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1F ZINC001599736125 991778133 /nfs/dbraw/zinc/77/81/33/991778133.db2.gz UPAUSSRKFOHUJM-MRXNPFEDSA-N -1 0 349.318 2.227 20 5 EEBDRM COc1nccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1F ZINC001599736122 991778306 /nfs/dbraw/zinc/77/83/06/991778306.db2.gz UPAUSSRKFOHUJM-INIZCTEOSA-N -1 0 349.318 2.227 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001599621964 994096441 /nfs/dbraw/zinc/09/64/41/994096441.db2.gz HJDSIAFLLXTFSG-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM CNC(=O)Oc1cccc(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001598654081 994493001 /nfs/dbraw/zinc/49/30/01/994493001.db2.gz CNPSGMMSNIEDQA-UHFFFAOYSA-N -1 0 332.272 2.150 20 5 EEBDRM CNC(=O)c1ccc(OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001598659108 994568794 /nfs/dbraw/zinc/56/87/94/994568794.db2.gz BGKCVJBXZZOYBL-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)C(C)(C)C(=O)[O-] ZINC001593563855 995653375 /nfs/dbraw/zinc/65/33/75/995653375.db2.gz CTUITKUTMYGSND-ZETCQYMHSA-N -1 0 343.719 2.473 20 5 EEBDRM C[C@H](c1ccc(C(=O)[O-])o1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001593689097 996130572 /nfs/dbraw/zinc/13/05/72/996130572.db2.gz AJXLNASKDWBPJX-MRVPVSSYSA-N -1 0 325.298 2.421 20 5 EEBDRM CO[C@@]1(C(F)(F)F)CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599083799 997057800 /nfs/dbraw/zinc/05/78/00/997057800.db2.gz MSFXHJNGQBPWNN-LBPRGKRZSA-N -1 0 349.265 2.236 20 5 EEBDRM CON(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H](C)CC(=O)[O-] ZINC001599313986 997466304 /nfs/dbraw/zinc/46/63/04/997466304.db2.gz ZVLMERUHOMDASJ-BDAKNGLRSA-N -1 0 328.296 2.091 20 5 EEBDRM COc1cc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])ccc1NC(C)=O ZINC001599445648 998005290 /nfs/dbraw/zinc/00/52/90/998005290.db2.gz UCHGNUUMJCUEIO-UHFFFAOYSA-N -1 0 346.299 2.399 20 5 EEBDRM COc1cc(C(=O)NC2(CC(=O)[O-])CCCC2)c([N+](=O)[O-])cc1F ZINC001599353557 998139444 /nfs/dbraw/zinc/13/94/44/998139444.db2.gz HBVJVTAYUPWGPY-UHFFFAOYSA-N -1 0 340.307 2.260 20 5 EEBDRM COC(=O)c1ccc(OCc2ncccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001598985735 998694836 /nfs/dbraw/zinc/69/48/36/998694836.db2.gz MXPHRWDLEXDZGB-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccnc(C(=O)[O-])c2)c1 ZINC001598987885 998711184 /nfs/dbraw/zinc/71/11/84/998711184.db2.gz KDGFKMUEGONTOT-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM C[C@H]1C[C@@H](CO)CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001594243129 998923905 /nfs/dbraw/zinc/92/39/05/998923905.db2.gz LVXVMIRBYOVRIG-DTWKUNHWSA-N -1 0 328.752 2.401 20 5 EEBDRM C[C@@H]1C[C@H](CO)CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594243247 998924699 /nfs/dbraw/zinc/92/46/99/998924699.db2.gz NFVFPFACTWYICG-BDAKNGLRSA-N -1 0 328.752 2.401 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000261645221 201194650 /nfs/dbraw/zinc/19/46/50/201194650.db2.gz IYLWRVLSSNUOKK-CYBMUJFWSA-N -1 0 346.261 2.382 20 5 EEBDRM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1 ZINC000421243090 240014605 /nfs/dbraw/zinc/01/46/05/240014605.db2.gz ZUFGFKDWCFMGLC-NSHDSACASA-N -1 0 331.394 2.101 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000071914674 203149811 /nfs/dbraw/zinc/14/98/11/203149811.db2.gz NZMWDDOIFJNLIR-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262398154 244957695 /nfs/dbraw/zinc/95/76/95/244957695.db2.gz UHQHXHJJJYFSTL-SNVBAGLBSA-N -1 0 326.374 2.399 20 5 EEBDRM CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000495047107 247058309 /nfs/dbraw/zinc/05/83/09/247058309.db2.gz KXBDYPTWCGNMHV-SNVBAGLBSA-N -1 0 337.332 2.107 20 5 EEBDRM COC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000496193428 247373445 /nfs/dbraw/zinc/37/34/45/247373445.db2.gz BSZWTOZMRWORMY-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM Cc1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)[nH]n1 ZINC000273549859 256306012 /nfs/dbraw/zinc/30/60/12/256306012.db2.gz AEXIGZDELJTUJN-UHFFFAOYSA-N -1 0 330.344 2.352 20 5 EEBDRM C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000263162037 152391273 /nfs/dbraw/zinc/39/12/73/152391273.db2.gz YCPGQRNKFBINHP-SWLSCSKDSA-N -1 0 349.387 2.499 20 5 EEBDRM C[C@H](C(=O)[O-])N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000263181476 152396138 /nfs/dbraw/zinc/39/61/38/152396138.db2.gz UHQVTILPMPTJLX-MRVPVSSYSA-N -1 0 341.751 2.124 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000325443232 286575417 /nfs/dbraw/zinc/57/54/17/286575417.db2.gz NOYVYUFHYPHQAX-LLVKDONJSA-N -1 0 338.360 2.470 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000263518846 160469609 /nfs/dbraw/zinc/46/96/09/160469609.db2.gz GCLUROHUDRZDQZ-NSHDSACASA-N -1 0 338.360 2.470 20 5 EEBDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237029260 160220116 /nfs/dbraw/zinc/22/01/16/160220116.db2.gz QSFAEIMVCVSYLV-UHFFFAOYSA-N -1 0 343.339 2.364 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000238013695 160227460 /nfs/dbraw/zinc/22/74/60/160227460.db2.gz PRHNSZUIGIOJCD-MRXNPFEDSA-N -1 0 328.324 2.470 20 5 EEBDRM Cc1sc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1[N+](=O)[O-] ZINC000342390936 161061797 /nfs/dbraw/zinc/06/17/97/161061797.db2.gz WQWAJVKWYLTNCN-UHFFFAOYSA-N -1 0 338.317 2.357 20 5 EEBDRM CC1(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000343886827 161177797 /nfs/dbraw/zinc/17/77/97/161177797.db2.gz JBLINMUELGDZAW-LLVKDONJSA-N -1 0 348.277 2.482 20 5 EEBDRM C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000263251725 296817211 /nfs/dbraw/zinc/81/72/11/296817211.db2.gz SXOJBPKIGZLJCI-VXNVDRBHSA-N -1 0 344.726 2.109 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccn(-c3ccccc3)n2)[nH]1 ZINC000352014895 162028957 /nfs/dbraw/zinc/02/89/57/162028957.db2.gz UIXYYKZNPWJIRX-VOTSOKGWSA-N -1 0 325.284 2.152 20 5 EEBDRM O=C(Nc1ccc(-n2ccnn2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356163574 163354455 /nfs/dbraw/zinc/35/44/55/163354455.db2.gz FSVMUXTUVCNXOB-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1n[nH]cc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000375827688 167206537 /nfs/dbraw/zinc/20/65/37/167206537.db2.gz YTZFRPLZDQEUOF-UHFFFAOYSA-N -1 0 330.344 2.352 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000237587101 268659191 /nfs/dbraw/zinc/65/91/91/268659191.db2.gz BIJZSYVWIAEQIR-CQSZACIVSA-N -1 0 329.312 2.244 20 5 EEBDRM C[C@@H]1CCCCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000274797602 269054308 /nfs/dbraw/zinc/05/43/08/269054308.db2.gz RKQZBEBKYPFGHR-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC000275063171 269090574 /nfs/dbraw/zinc/09/05/74/269090574.db2.gz VANAJQRONMSCED-GFCCVEGCSA-N -1 0 344.389 2.071 20 5 EEBDRM CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000277364363 269150705 /nfs/dbraw/zinc/15/07/05/269150705.db2.gz BAEFJKBNPDVYJI-UHFFFAOYSA-N -1 0 333.266 2.015 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCSC2(CCOCC2)C1 ZINC000274540938 274205583 /nfs/dbraw/zinc/20/55/83/274205583.db2.gz DVUOOXAPHXDOKJ-UHFFFAOYSA-N -1 0 338.385 2.039 20 5 EEBDRM Cn1nc([C@H]2CCCO2)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000279083653 274432652 /nfs/dbraw/zinc/43/26/52/274432652.db2.gz HNEDOEGZHUXXEP-CYBMUJFWSA-N -1 0 332.316 2.138 20 5 EEBDRM CC(C)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000288824005 275087154 /nfs/dbraw/zinc/08/71/54/275087154.db2.gz BUKPPIQAUOUSDS-LLVKDONJSA-N -1 0 342.352 2.133 20 5 EEBDRM O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000290924581 275252957 /nfs/dbraw/zinc/25/29/57/275252957.db2.gz MVKMLELNRQGUFW-KBXCAEBGSA-N -1 0 342.351 2.196 20 5 EEBDRM Cc1nc(N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000292219723 275396192 /nfs/dbraw/zinc/39/61/92/275396192.db2.gz HWWOOVSVVFOKMR-NXEZZACHSA-N -1 0 346.309 2.334 20 5 EEBDRM CC(C)(C)CS(=O)(=O)[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491828249 278330402 /nfs/dbraw/zinc/33/04/02/278330402.db2.gz OEYCKURJYBIIOV-HJWRWDBZSA-N -1 0 326.374 2.100 20 5 EEBDRM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000255754684 292718217 /nfs/dbraw/zinc/71/82/17/292718217.db2.gz JWFYPRIKXYZSQE-FPLPWBNLSA-N -1 0 338.366 2.175 20 5 EEBDRM CN1Cc2ccccc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000371372230 290313163 /nfs/dbraw/zinc/31/31/63/290313163.db2.gz FSHLCDIMABUBKB-AWEZNQCLSA-N -1 0 327.340 2.217 20 5 EEBDRM C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])Cc2ccccc2C(=O)O1 ZINC000367015011 297874209 /nfs/dbraw/zinc/87/42/09/297874209.db2.gz YZBXERCLMOJOFX-KRWDZBQOSA-N -1 0 342.307 2.411 20 5 EEBDRM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000330780125 311785755 /nfs/dbraw/zinc/78/57/55/311785755.db2.gz NHTYKWGIXCBVHM-UONOGXRCSA-N -1 0 349.387 2.162 20 5 EEBDRM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000416593509 313268442 /nfs/dbraw/zinc/26/84/42/313268442.db2.gz LNYJXKSCDZSCRM-YMTOWFKASA-N -1 0 346.380 2.216 20 5 EEBDRM CNC(=O)Oc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000495638685 316033080 /nfs/dbraw/zinc/03/30/80/316033080.db2.gz NABVIJDLXVSHCH-UHFFFAOYSA-N -1 0 331.284 2.271 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CCC(=O)[O-])C(C)C)c1 ZINC000514583585 316397527 /nfs/dbraw/zinc/39/75/27/316397527.db2.gz KAQZCLNTLDTEJW-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM C[C@@H]1CCCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000515056590 316455195 /nfs/dbraw/zinc/45/51/95/316455195.db2.gz CXVFMYPEJZFIJD-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM CCOC(=O)C[C@@H](C)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000520411249 316859686 /nfs/dbraw/zinc/85/96/86/316859686.db2.gz UOZLMIFSICOKHR-MRVPVSSYSA-N -1 0 344.751 2.368 20 5 EEBDRM Cc1c([C@H]2OCC[C@@H]2Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cnn1C ZINC000565039591 319142426 /nfs/dbraw/zinc/14/24/26/319142426.db2.gz CKSCEXXFXJFGOA-DZGCQCFKSA-N -1 0 346.343 2.277 20 5 EEBDRM CC(C)Oc1cc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])ccn1 ZINC000575062550 320083784 /nfs/dbraw/zinc/08/37/84/320083784.db2.gz QJWCNKWSIQVCSO-UHFFFAOYSA-N -1 0 332.316 2.482 20 5 EEBDRM O=C(N[C@H]1CC12CCOCC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578015236 320289136 /nfs/dbraw/zinc/28/91/36/320289136.db2.gz KOEZKEZLDRKXAI-NSHDSACASA-N -1 0 326.736 2.253 20 5 EEBDRM Cc1cc(N2CCC(O)(C(=O)[O-])CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000578196232 320300171 /nfs/dbraw/zinc/30/01/71/320300171.db2.gz AAMMSFABZRSOOQ-UHFFFAOYSA-N -1 0 348.277 2.338 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC1CCCC1 ZINC000578354019 320310064 /nfs/dbraw/zinc/31/00/64/320310064.db2.gz GYFDQWKNELSSRN-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM CCCCc1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000194803964 323503624 /nfs/dbraw/zinc/50/36/24/323503624.db2.gz LOLDFZUBWWJGLV-UHFFFAOYSA-N -1 0 340.361 2.430 20 5 EEBDRM Cc1nnc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])n1C1CC1 ZINC000582244338 324412986 /nfs/dbraw/zinc/41/29/86/324412986.db2.gz VUPGUHJBYUZARM-UHFFFAOYSA-N -1 0 331.332 2.069 20 5 EEBDRM C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000582905306 324554511 /nfs/dbraw/zinc/55/45/11/324554511.db2.gz KTCHDLWLZLELIK-SKDRFNHKSA-N -1 0 340.763 2.360 20 5 EEBDRM Cc1cc(S(=O)(=O)N[C@@H](C)CCCC(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC000583552245 324685998 /nfs/dbraw/zinc/68/59/98/324685998.db2.gz CTCHJIKEDAVTCE-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC(C)(C)[C@@H](O)C(C)C)n1 ZINC000521881180 449023866 /nfs/dbraw/zinc/02/38/66/449023866.db2.gz SXHNDMZRYCLADG-LBPRGKRZSA-N -1 0 325.365 2.451 20 5 EEBDRM Nc1nc(C2CC2)ncc1-c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000350915459 465038036 /nfs/dbraw/zinc/03/80/36/465038036.db2.gz BDDPXLXRDMQHDV-UHFFFAOYSA-N -1 0 340.299 2.267 20 5 EEBDRM C[S@@](=O)Cc1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000358403060 465101578 /nfs/dbraw/zinc/10/15/78/465101578.db2.gz AKQCEPXKJZSFCO-HSZRJFAPSA-N -1 0 334.353 2.431 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c2CCO3)ccc1[O-] ZINC000358495685 465157629 /nfs/dbraw/zinc/15/76/29/465157629.db2.gz KCPZSLROXUWDSW-UHFFFAOYSA-N -1 0 336.325 2.036 20 5 EEBDRM CCC(C)(CC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000578863321 468270138 /nfs/dbraw/zinc/27/01/38/468270138.db2.gz KWMVFXDPRNPLTB-UHFFFAOYSA-N -1 0 330.362 2.150 20 5 EEBDRM CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@@H](CC)C1 ZINC000339352874 465220095 /nfs/dbraw/zinc/22/00/95/465220095.db2.gz QXCFUZNRNGPVHS-JSGCOSHPSA-N -1 0 337.376 2.128 20 5 EEBDRM Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cnn1-c1ccccn1 ZINC000089541087 462691281 /nfs/dbraw/zinc/69/12/81/462691281.db2.gz YFFPMZCJRMHQAV-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-])Nc1ccccc1 ZINC000157906293 463184039 /nfs/dbraw/zinc/18/40/39/463184039.db2.gz TXQFEWRLACNBKF-UHFFFAOYSA-N -1 0 329.312 2.059 20 5 EEBDRM Cc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])n[nH]2)o1 ZINC000164234044 463618973 /nfs/dbraw/zinc/61/89/73/463618973.db2.gz YFULOLBVHRPAGY-UHFFFAOYSA-N -1 0 329.272 2.239 20 5 EEBDRM C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000277026934 463848107 /nfs/dbraw/zinc/84/81/07/463848107.db2.gz NRRIXRUYIYLIBO-MRVPVSSYSA-N -1 0 347.293 2.229 20 5 EEBDRM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185598773 463849012 /nfs/dbraw/zinc/84/90/12/463849012.db2.gz VHSMVTITXAGWLW-CFVMTHIKSA-N -1 0 332.356 2.378 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000579598324 468383087 /nfs/dbraw/zinc/38/30/87/468383087.db2.gz AJQPYRFMIWEXNL-ZIAGYGMSSA-N -1 0 344.371 2.424 20 5 EEBDRM CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194637446 463900080 /nfs/dbraw/zinc/90/00/80/463900080.db2.gz INXLORQTVHXNAM-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)o1 ZINC000262211816 463974301 /nfs/dbraw/zinc/97/43/01/463974301.db2.gz YCXMLOYTHWOSDA-UHFFFAOYSA-N -1 0 345.311 2.390 20 5 EEBDRM CCCC[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000262265935 463986122 /nfs/dbraw/zinc/98/61/22/463986122.db2.gz HIEZGFAZVCCNBC-ZDUSSCGKSA-N -1 0 333.344 2.309 20 5 EEBDRM CCC[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000262316737 464001098 /nfs/dbraw/zinc/00/10/98/464001098.db2.gz ZUJIWBFFQSVBEF-NSHDSACASA-N -1 0 346.343 2.011 20 5 EEBDRM O=C(NCCc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179396781 464127799 /nfs/dbraw/zinc/12/77/99/464127799.db2.gz JHOAOQBDQLPKDZ-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc12 ZINC000179621315 464165274 /nfs/dbraw/zinc/16/52/74/464165274.db2.gz CPJGCAPYBQEHNR-UHFFFAOYSA-N -1 0 347.356 2.284 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCCC[C@@H]1c1ncon1 ZINC000182098243 464571088 /nfs/dbraw/zinc/57/10/88/464571088.db2.gz MNAXAFFJOPXHHI-GFCCVEGCSA-N -1 0 332.316 2.441 20 5 EEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCc2c1cnn2C ZINC000182147842 464582543 /nfs/dbraw/zinc/58/25/43/464582543.db2.gz GUYHPDBWQIWKAR-CYBMUJFWSA-N -1 0 330.344 2.184 20 5 EEBDRM Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000193011264 465021785 /nfs/dbraw/zinc/02/17/85/465021785.db2.gz KVBFDHUQWPKXPI-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC(=O)[O-])CC(C)C ZINC000299372501 465722869 /nfs/dbraw/zinc/72/28/69/465722869.db2.gz RKEBZPNMZZXACQ-UHFFFAOYSA-N -1 0 344.389 2.025 20 5 EEBDRM CSc1nc(=NC(=O)NCc2cccc([N+](=O)[O-])c2C)s[n-]1 ZINC000361981265 466456952 /nfs/dbraw/zinc/45/69/52/466456952.db2.gz FVGQUVRCCMTJBW-UHFFFAOYSA-N -1 0 339.402 2.220 20 5 EEBDRM O=C([O-])C[C@@H]1CSCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000319753820 466599110 /nfs/dbraw/zinc/59/91/10/466599110.db2.gz ABUGWDUOMYQFGE-VUUYWXRKSA-N -1 0 336.369 2.027 20 5 EEBDRM Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000363989250 466677934 /nfs/dbraw/zinc/67/79/34/466677934.db2.gz WMWXDZYDKKEAQU-VHSXEESVSA-N -1 0 336.735 2.430 20 5 EEBDRM O=c1[n-]c([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 ZINC000377527449 467080504 /nfs/dbraw/zinc/08/05/04/467080504.db2.gz XFMDCHVHCRVLSV-JTQLQIEISA-N -1 0 337.767 2.452 20 5 EEBDRM COc1cc(N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000390716139 467411629 /nfs/dbraw/zinc/41/16/29/467411629.db2.gz YFHHLHGRRXXDRA-GFCCVEGCSA-N -1 0 334.250 2.447 20 5 EEBDRM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000436675785 467550387 /nfs/dbraw/zinc/55/03/87/467550387.db2.gz XRDUCSQIJSUJTC-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(c3ccccn3)CC2)n1 ZINC000567981256 468250179 /nfs/dbraw/zinc/25/01/79/468250179.db2.gz CRARNAYRQYTTJE-UHFFFAOYSA-N -1 0 343.343 2.164 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1noc(C(F)F)n1 ZINC000591783925 468521216 /nfs/dbraw/zinc/52/12/16/468521216.db2.gz LNUOWYXBOJVWJT-YFKPBYRVSA-N -1 0 328.231 2.112 20 5 EEBDRM C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594540095 468617300 /nfs/dbraw/zinc/61/73/00/468617300.db2.gz AANNKOMMDFIOHM-DVVUODLYSA-N -1 0 335.360 2.241 20 5 EEBDRM COc1cccc([C@@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])OC)c1 ZINC000600678050 468618917 /nfs/dbraw/zinc/61/89/17/468618917.db2.gz KCVUTHNXRAFQJZ-CYBMUJFWSA-N -1 0 347.327 2.496 20 5 EEBDRM C[C@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C1(C)CC1 ZINC000592141872 468634997 /nfs/dbraw/zinc/63/49/97/468634997.db2.gz RIVWYDVYIBJMCT-VIFPVBQESA-N -1 0 342.373 2.102 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000595252448 468793703 /nfs/dbraw/zinc/79/37/03/468793703.db2.gz YXHJCRNUAANDFC-LZJQFABFSA-N -1 0 347.371 2.012 20 5 EEBDRM COc1cc(N2CCC(n3cc(C(=O)[O-])cn3)CC2)ccc1[N+](=O)[O-] ZINC000592981325 468833830 /nfs/dbraw/zinc/83/38/30/468833830.db2.gz GNGMNQQOWKBZBE-UHFFFAOYSA-N -1 0 346.343 2.340 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000592984969 468834272 /nfs/dbraw/zinc/83/42/72/468834272.db2.gz XXNXMANBYPBJRQ-JTQLQIEISA-N -1 0 333.369 2.397 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2noc(C3CC3)n2)c(C)c1[N+](=O)[O-] ZINC000598733907 468977957 /nfs/dbraw/zinc/97/79/57/468977957.db2.gz FVSFHCHUBGRVEJ-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM O=C1N[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)N2CCc3ccccc3[C@@H]12 ZINC000602760978 469057038 /nfs/dbraw/zinc/05/70/38/469057038.db2.gz ZFSSTIRJYNKSKJ-JKSUJKDBSA-N -1 0 325.324 2.028 20 5 EEBDRM CN(Cc1noc(CCCC(=O)[O-])n1)Cc1ccccc1[N+](=O)[O-] ZINC000593732546 469114682 /nfs/dbraw/zinc/11/46/82/469114682.db2.gz NIRDPSKHDOWQTJ-UHFFFAOYSA-N -1 0 334.332 2.017 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593746546 469120797 /nfs/dbraw/zinc/12/07/97/469120797.db2.gz SYUVJBLGVGEPSR-HNNXBMFYSA-N -1 0 332.316 2.084 20 5 EEBDRM Cc1noc([C@H](C)N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000573741143 469197111 /nfs/dbraw/zinc/19/71/11/469197111.db2.gz KOSTUNMEESMPBY-LURJTMIESA-N -1 0 340.723 2.478 20 5 EEBDRM COc1cc(N2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)ccc1F ZINC000596228130 469214085 /nfs/dbraw/zinc/21/40/85/469214085.db2.gz WUUZOPWHLGARAY-UHFFFAOYSA-N -1 0 348.334 2.170 20 5 EEBDRM Cc1cc(N2CCO[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000574056744 469253780 /nfs/dbraw/zinc/25/37/80/469253780.db2.gz HKAPFFFVQKQGSJ-NSHDSACASA-N -1 0 334.250 2.212 20 5 EEBDRM COc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)ccc1[N+](=O)[O-] ZINC000611463992 469255777 /nfs/dbraw/zinc/25/57/77/469255777.db2.gz NVQYUFOEYHFFNW-CQSZACIVSA-N -1 0 348.286 2.298 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@](C)(O)CCC(C)C)n1 ZINC000565034755 469265104 /nfs/dbraw/zinc/26/51/04/469265104.db2.gz JMIDPZBPOXXAAB-HNNXBMFYSA-N -1 0 325.365 2.596 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccnn1C ZINC000616021754 469355026 /nfs/dbraw/zinc/35/50/26/469355026.db2.gz GBRQXDMAEDSJGM-LBPRGKRZSA-N -1 0 332.360 2.204 20 5 EEBDRM COC(=O)Cc1cccc(NCc2cc(OC)c([O-])c([N+](=O)[O-])c2)n1 ZINC000616205012 469398584 /nfs/dbraw/zinc/39/85/84/469398584.db2.gz WRUGNBKACDDAKH-UHFFFAOYSA-N -1 0 347.327 2.032 20 5 EEBDRM CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)Nc1ccccc1 ZINC000613946302 469821004 /nfs/dbraw/zinc/82/10/04/469821004.db2.gz KQICJWMEHYMEIZ-UHFFFAOYSA-N -1 0 343.339 2.448 20 5 EEBDRM Cc1nn(CCC(=O)N(C)c2ccccc2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738383172 578011968 /nfs/dbraw/zinc/01/19/68/578011968.db2.gz RXKFCXAFEVGBJN-UHFFFAOYSA-N -1 0 346.343 2.159 20 5 EEBDRM COCC1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000737751299 576073371 /nfs/dbraw/zinc/07/33/71/576073371.db2.gz IYSWUFMQFWFCPJ-UHFFFAOYSA-N -1 0 339.304 2.064 20 5 EEBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)o1 ZINC000732905829 577196752 /nfs/dbraw/zinc/19/67/52/577196752.db2.gz MZWHMPFRDAUUCC-UHFFFAOYSA-N -1 0 348.383 2.090 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000732905835 577196834 /nfs/dbraw/zinc/19/68/34/577196834.db2.gz NDJGURDCXAZSDL-VIFPVBQESA-N -1 0 332.353 2.230 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000776696478 577466212 /nfs/dbraw/zinc/46/62/12/577466212.db2.gz ZWPSUHIPMZRVRL-VIFPVBQESA-N -1 0 348.402 2.064 20 5 EEBDRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000762733847 577706739 /nfs/dbraw/zinc/70/67/39/577706739.db2.gz NONPQAYLQNFHAR-VAWYXSNFSA-N -1 0 340.401 2.330 20 5 EEBDRM CC1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000751974639 577763620 /nfs/dbraw/zinc/76/36/20/577763620.db2.gz WQZVJANOMNNJEZ-UHFFFAOYSA-N -1 0 349.206 2.434 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)C=Cc1ccccc1Cl ZINC000753954560 577797436 /nfs/dbraw/zinc/79/74/36/577797436.db2.gz WEIUFBQCBHVNKT-VURMDHGXSA-N -1 0 339.760 2.478 20 5 EEBDRM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755657699 577828710 /nfs/dbraw/zinc/82/87/10/577828710.db2.gz SDIRUFOCRZHQAC-ICCXJUOJSA-N -1 0 340.426 2.410 20 5 EEBDRM C/C(=C\C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C(C)(C)C ZINC000744132340 577893237 /nfs/dbraw/zinc/89/32/37/577893237.db2.gz MLFQGBMWHBAWLL-VMPITWQZSA-N -1 0 332.403 2.454 20 5 EEBDRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000750673014 577996963 /nfs/dbraw/zinc/99/69/63/577996963.db2.gz HFZMXDCUUWXVCE-UHFFFAOYSA-N -1 0 332.765 2.243 20 5 EEBDRM Cc1nn(CCC(=O)Oc2cc(C(=O)[O-])ccc2C)c(C)c1[N+](=O)[O-] ZINC000738541400 578018925 /nfs/dbraw/zinc/01/89/25/578018925.db2.gz RWTBNXBTBZJGFW-UHFFFAOYSA-N -1 0 347.327 2.410 20 5 EEBDRM O=C([O-])c1cc(-c2nc(Cc3ccccn3)no2)cc([N+](=O)[O-])c1 ZINC000738668913 578023353 /nfs/dbraw/zinc/02/33/53/578023353.db2.gz IPOWPOGRFMRTBS-UHFFFAOYSA-N -1 0 326.268 2.329 20 5 EEBDRM O=C([O-])c1cc(OCC(=O)c2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC000739330085 578048709 /nfs/dbraw/zinc/04/87/09/578048709.db2.gz WZJXXAIBOOEOBE-UHFFFAOYSA-N -1 0 343.291 2.490 20 5 EEBDRM CC(=O)N1CCC(Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736135657 578182488 /nfs/dbraw/zinc/18/24/88/578182488.db2.gz RMFHCBFQSJELAP-UHFFFAOYSA-N -1 0 341.751 2.369 20 5 EEBDRM CC(C)n1ccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000736533111 578209763 /nfs/dbraw/zinc/20/97/63/578209763.db2.gz ZSFFTBYOUFGVJO-UHFFFAOYSA-N -1 0 332.316 2.000 20 5 EEBDRM CC[C@@H](C)[C@@H](O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736880152 578228245 /nfs/dbraw/zinc/22/82/45/578228245.db2.gz MKRIHNMAUIJVPP-HQJQHLMTSA-N -1 0 327.293 2.020 20 5 EEBDRM CC(C)C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000817865825 597031632 /nfs/dbraw/zinc/03/16/32/597031632.db2.gz MIFZSPCYUHTCRY-SNVBAGLBSA-N -1 0 326.374 2.302 20 5 EEBDRM O=C([O-])CSCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000128339884 598196226 /nfs/dbraw/zinc/19/62/26/598196226.db2.gz WRKWTUQMONFJBH-UHFFFAOYSA-N -1 0 349.162 2.114 20 5 EEBDRM CN(CC(=O)OCc1cc(C(=O)[O-])co1)c1ccccc1[N+](=O)[O-] ZINC000830702527 600726237 /nfs/dbraw/zinc/72/62/37/600726237.db2.gz YLUDOIMHAQQYPR-UHFFFAOYSA-N -1 0 334.284 2.066 20 5 EEBDRM O=C([O-])CC1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000833213812 600811318 /nfs/dbraw/zinc/81/13/18/600811318.db2.gz BROYBLWTTGZWTO-UHFFFAOYSA-N -1 0 349.343 2.243 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000828809970 601268036 /nfs/dbraw/zinc/26/80/36/601268036.db2.gz BKFGBEZMZDSBJB-UHFFFAOYSA-N -1 0 348.352 2.046 20 5 EEBDRM Cn1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1C(=O)[O-] ZINC000833046655 601318693 /nfs/dbraw/zinc/31/86/93/601318693.db2.gz BQUCMYNOYXTKGX-UHFFFAOYSA-N -1 0 342.311 2.225 20 5 EEBDRM Cc1cc(N2CC[C@@](F)(C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000832889439 601379005 /nfs/dbraw/zinc/37/90/05/601379005.db2.gz OEDHLFGQLVDAAH-INIZCTEOSA-N -1 0 346.318 2.363 20 5 EEBDRM Cc1cc(N2CC[C@](F)(C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000832889440 601379150 /nfs/dbraw/zinc/37/91/50/601379150.db2.gz OEDHLFGQLVDAAH-MRXNPFEDSA-N -1 0 346.318 2.363 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000830362742 601388440 /nfs/dbraw/zinc/38/84/40/601388440.db2.gz HVXWSPXMNKAXDW-UHFFFAOYSA-N -1 0 344.279 2.245 20 5 EEBDRM CCN(Cc1ccoc1)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000829734500 601444634 /nfs/dbraw/zinc/44/46/34/601444634.db2.gz DVQCPVXEJRMNBI-UHFFFAOYSA-N -1 0 347.327 2.029 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000828169826 601679920 /nfs/dbraw/zinc/67/99/20/601679920.db2.gz XBCRLVRTMDORJI-OUAUKWLOSA-N -1 0 335.360 2.032 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000828169823 601680069 /nfs/dbraw/zinc/68/00/69/601680069.db2.gz XBCRLVRTMDORJI-GMTAPVOTSA-N -1 0 335.360 2.032 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000833090666 601702971 /nfs/dbraw/zinc/70/29/71/601702971.db2.gz SFWUTBIHKNLNJN-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM Nc1c(C(=O)Nc2cc(C(=O)[O-])cs2)cc(F)cc1[N+](=O)[O-] ZINC000833090362 602296832 /nfs/dbraw/zinc/29/68/32/602296832.db2.gz XBHVFWJPNWKDTG-UHFFFAOYSA-N -1 0 325.277 2.328 20 5 EEBDRM Cc1cccc([C@H](O)CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000832965774 604714687 /nfs/dbraw/zinc/71/46/87/604714687.db2.gz WYVCGTPTTQFKHN-OAHLLOKOSA-N -1 0 344.323 2.065 20 5 EEBDRM CC1=C(C(=O)[O-])C[C@H](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)O1 ZINC000833580388 604889185 /nfs/dbraw/zinc/88/91/85/604889185.db2.gz GQZNVHZVHZERCF-GFCCVEGCSA-N -1 0 330.300 2.001 20 5 EEBDRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000833481604 605366601 /nfs/dbraw/zinc/36/66/01/605366601.db2.gz WWEDJNCAIGAKBX-ZDUSSCGKSA-N -1 0 335.360 2.162 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccccc1-c1nn[nH]n1 ZINC000826461777 607884450 /nfs/dbraw/zinc/88/44/50/607884450.db2.gz GSRLFHNQGPOFHJ-WAYWQWQTSA-N -1 0 338.283 2.039 20 5 EEBDRM C[C@H](CN(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263256692 676914084 /nfs/dbraw/zinc/91/40/84/676914084.db2.gz UFONZOUHGWGLSC-SSDOTTSWSA-N -1 0 332.715 2.109 20 5 EEBDRM CC(C)C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262086847 683506627 /nfs/dbraw/zinc/50/66/27/683506627.db2.gz GEPZVDUUZBPRCS-ZDUSSCGKSA-N -1 0 335.360 2.398 20 5 EEBDRM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263298039 689638741 /nfs/dbraw/zinc/63/87/41/689638741.db2.gz ZUQUADTWNOKNKW-BDAKNGLRSA-N -1 0 344.751 2.195 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263504908 690000574 /nfs/dbraw/zinc/00/05/74/690000574.db2.gz WSOOOKIDNUAIIS-UHFFFAOYSA-N -1 0 349.387 2.422 20 5 EEBDRM Cc1ccc(Nc2nc[n-]c(=O)c2Br)cc1[N+](=O)[O-] ZINC000167423248 1179162440 /nfs/dbraw/zinc/16/24/40/1179162440.db2.gz WMEYSAUQJSPKHH-UHFFFAOYSA-N -1 0 325.122 2.493 20 5 EEBDRM O=C(Nc1ccn(Cc2ccccn2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779661636 1210732339 /nfs/dbraw/zinc/73/23/39/1210732339.db2.gz WOEKGXLMBHORRL-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000194347073 1211163269 /nfs/dbraw/zinc/16/32/69/1211163269.db2.gz NNROYNSZDXTTAN-UHFFFAOYSA-N -1 0 348.299 2.265 20 5 EEBDRM Cc1[nH]nc(C(=O)N2CCC(Nc3ccccc3[N+](=O)[O-])CC2)c1[O-] ZINC001057317824 1243243917 /nfs/dbraw/zinc/24/39/17/1243243917.db2.gz XAJLIGDPFZBNJP-UHFFFAOYSA-N -1 0 345.359 2.049 20 5 EEBDRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000850737459 1277320335 /nfs/dbraw/zinc/32/03/35/1277320335.db2.gz ZOSQAXDRTAOQTC-AWEZNQCLSA-N -1 0 346.380 2.459 20 5 EEBDRM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886530 1277380518 /nfs/dbraw/zinc/38/05/18/1277380518.db2.gz YHSUKUVFGWZKCK-GXSJLCMTSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850889734 1277382884 /nfs/dbraw/zinc/38/28/84/1277382884.db2.gz YFCAFPKEPKUWRT-UWVGGRQHSA-N -1 0 344.364 2.365 20 5 EEBDRM O=[N+]([O-])c1cc(-c2nc(-c3cccnc3)no2)c([O-])c([N+](=O)[O-])c1 ZINC001216713361 1297263372 /nfs/dbraw/zinc/26/33/72/1297263372.db2.gz KOSKIRZXDWADPT-UHFFFAOYSA-N -1 0 329.228 2.321 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC001226020781 1301236145 /nfs/dbraw/zinc/23/61/45/1301236145.db2.gz LLOCLKMAFSMJGR-SNVBAGLBSA-N -1 0 347.327 2.277 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](C)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC001226650029 1301494121 /nfs/dbraw/zinc/49/41/21/1301494121.db2.gz NQIHTIMGXBGFSK-SECBINFHSA-N -1 0 333.300 2.325 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2C[C@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC001226651492 1301494776 /nfs/dbraw/zinc/49/47/76/1301494776.db2.gz HKXNOPQDVUDPHS-DTWKUNHWSA-N -1 0 339.348 2.471 20 5 EEBDRM C[C@H](Oc1[n-]c(=O)nc2[nH]ccc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227270500 1301758315 /nfs/dbraw/zinc/75/83/15/1301758315.db2.gz GYWRTUGEUSCZKE-ZETCQYMHSA-N -1 0 344.283 2.440 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)c2cn(C)nc2C)cc1[O-] ZINC001228811395 1302461836 /nfs/dbraw/zinc/46/18/36/1302461836.db2.gz QAGHCDHQBDXPKX-VIFPVBQESA-N -1 0 335.316 2.269 20 5 EEBDRM CC(C)OC(=O)N1CCC(Oc2cc(O)cc([O-])c2[N+](=O)[O-])CC1 ZINC001228970626 1302552162 /nfs/dbraw/zinc/55/21/62/1302552162.db2.gz JOZSFZKVIXQGGI-UHFFFAOYSA-N -1 0 340.332 2.394 20 5 EEBDRM O=c1nc(OC[C@@H]2COc3cscc3O2)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231077257 1303613884 /nfs/dbraw/zinc/61/38/84/1303613884.db2.gz TXZJZVBVTBAOPI-YFKPBYRVSA-N -1 0 345.720 2.024 20 5 EEBDRM CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000780435300 1303667534 /nfs/dbraw/zinc/66/75/34/1303667534.db2.gz XJYSDVUBUJCKFR-UWVGGRQHSA-N -1 0 344.389 2.091 20 5 EEBDRM CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000781841443 1303877741 /nfs/dbraw/zinc/87/77/41/1303877741.db2.gz QWGYQBAMUQYHHY-SECBINFHSA-N -1 0 344.364 2.365 20 5 EEBDRM CC[C@H](O)C(=O)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234743751 1305017638 /nfs/dbraw/zinc/01/76/38/1305017638.db2.gz GKEGRZFQTUQXDT-NSHDSACASA-N -1 0 330.292 2.034 20 5 EEBDRM C[C@H](CO)N(Cc1ccccc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001255699124 1318517816 /nfs/dbraw/zinc/51/78/16/1318517816.db2.gz IPBMTEICKCLHIP-GFCCVEGCSA-N -1 0 330.340 2.324 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001601286151 1350249249 /nfs/dbraw/zinc/24/92/49/1350249249.db2.gz ORLVRBLNBZOVEQ-CQSZACIVSA-N -1 0 344.726 2.206 20 5 EEBDRM O=C([O-])c1sc(-c2ccncc2)cc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001602590430 1350552717 /nfs/dbraw/zinc/55/27/17/1350552717.db2.gz RDUUWLVMYBHUMZ-PSASIEDQSA-N -1 0 333.325 2.112 20 5 EEBDRM O=C([O-])[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001608543819 1351712976 /nfs/dbraw/zinc/71/29/76/1351712976.db2.gz PJWGLNZDNASJOQ-JTQLQIEISA-N -1 0 339.710 2.485 20 5 EEBDRM CCC(=O)c1ccc(N2CC(F)(F)C[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001604863976 1351022094 /nfs/dbraw/zinc/02/20/94/1351022094.db2.gz GKYYKICXZBGXHV-NSHDSACASA-N -1 0 328.271 2.486 20 5 EEBDRM COc1cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607067716 1351405965 /nfs/dbraw/zinc/40/59/65/1351405965.db2.gz ADRVYJWXJUWQJA-LBPRGKRZSA-N -1 0 342.323 2.314 20 5 EEBDRM CC(C)[C@H]1N(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC12CCC2 ZINC001309540817 1331632967 /nfs/dbraw/zinc/63/29/67/1331632967.db2.gz LOCCFXVOMIZIDY-CQSZACIVSA-N -1 0 340.401 2.500 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC001608649771 1351733796 /nfs/dbraw/zinc/73/37/96/1351733796.db2.gz OOQFCAABSBNBMN-MRVPVSSYSA-N -1 0 348.327 2.450 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC001608686243 1351742040 /nfs/dbraw/zinc/74/20/40/1351742040.db2.gz MKDFMDFCGRCEHB-UHFFFAOYSA-N -1 0 341.323 2.394 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N[C@@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC001608755472 1351755933 /nfs/dbraw/zinc/75/59/33/1351755933.db2.gz VQWCUJDIHYYGBM-QIMFLAQGSA-N -1 0 347.371 2.400 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2cccc3c2OCC3)cc([N+](=O)[O-])c1 ZINC001608837308 1351775247 /nfs/dbraw/zinc/77/52/47/1351775247.db2.gz KYEOAHUYBBDCKH-UHFFFAOYSA-N -1 0 342.307 2.158 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccn3ccnc3c2)cc([N+](=O)[O-])c1 ZINC001608837781 1351775317 /nfs/dbraw/zinc/77/53/17/1351775317.db2.gz BOTPTVARUHXBKG-UHFFFAOYSA-N -1 0 326.268 2.193 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])oc1Cl ZINC001608862997 1351780869 /nfs/dbraw/zinc/78/08/69/1351780869.db2.gz MOTNSXJMZQCAOB-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC001322009497 1333194749 /nfs/dbraw/zinc/19/47/49/1333194749.db2.gz ZPWRSCGKVQJHFB-VIFPVBQESA-N -1 0 340.382 2.265 20 5 EEBDRM CC(C)(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nocc1C(=O)[O-] ZINC001609679900 1352057096 /nfs/dbraw/zinc/05/70/96/1352057096.db2.gz XVVRLNZCBBBQRS-UHFFFAOYSA-N -1 0 337.263 2.085 20 5 EEBDRM CC(C)(NC(=O)c1ccoc1CC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001609679987 1352057141 /nfs/dbraw/zinc/05/71/41/1352057141.db2.gz FKCCVCLMMJETOW-UHFFFAOYSA-N -1 0 332.312 2.480 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001609712436 1352065899 /nfs/dbraw/zinc/06/58/99/1352065899.db2.gz FPMPTFOLZOVPSF-MRXNPFEDSA-N -1 0 336.344 2.319 20 5 EEBDRM CN(CC1CCCCC1)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001610113691 1352165421 /nfs/dbraw/zinc/16/54/21/1352165421.db2.gz LCKOFTYUCQWHTQ-UHFFFAOYSA-N -1 0 349.387 2.426 20 5 EEBDRM CO[C@@H]1CCC[C@@H]([C@@H]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])C(=O)[O-])C1 ZINC001610234419 1352191817 /nfs/dbraw/zinc/19/18/17/1352191817.db2.gz JUQQBBUCWSLZPH-WDBKCZKBSA-N -1 0 338.360 2.048 20 5 EEBDRM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC001610406459 1352218125 /nfs/dbraw/zinc/21/81/25/1352218125.db2.gz KUDRKIGZWBRJJS-CQSZACIVSA-N -1 0 330.296 2.165 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2CSC[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610423693 1352220346 /nfs/dbraw/zinc/22/03/46/1352220346.db2.gz CPHZEJHHJWPWBA-RDDDGLTNSA-N -1 0 339.373 2.474 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001610563611 1352245739 /nfs/dbraw/zinc/24/57/39/1352245739.db2.gz OVHYRGZZZXGIIZ-AWEZNQCLSA-N -1 0 347.302 2.036 20 5 EEBDRM CCc1[nH]c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC001597369320 1349923255 /nfs/dbraw/zinc/92/32/55/1349923255.db2.gz SEXCLBQWIBANCQ-UHFFFAOYSA-N -1 0 331.328 2.422 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](O)Cc2ccc(F)cc2)n1 ZINC001600107610 1349972599 /nfs/dbraw/zinc/97/25/99/1349972599.db2.gz ZHBFVEFTVBMBLI-GFCCVEGCSA-N -1 0 349.318 2.151 20 5 EEBDRM Cc1cc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])oc1C(=O)[O-] ZINC001600200182 1349991665 /nfs/dbraw/zinc/99/16/65/1349991665.db2.gz RTYXTEGSKCCGMJ-UHFFFAOYSA-N -1 0 336.275 2.192 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001600219044 1349995811 /nfs/dbraw/zinc/99/58/11/1349995811.db2.gz MIIVPNIJALSRMP-WPRPVWTQSA-N -1 0 326.736 2.492 20 5 EEBDRM Cc1cc(SC[C@@H]2CN(C)CCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600302996 1350015071 /nfs/dbraw/zinc/01/50/71/1350015071.db2.gz AKPZYXUTRQSHNC-JTQLQIEISA-N -1 0 326.374 2.024 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2c(C)ccc(C(=O)[O-])c2O)n1 ZINC001600303996 1350015833 /nfs/dbraw/zinc/01/58/33/1350015833.db2.gz CWXNVPPCWHJOSH-UHFFFAOYSA-N -1 0 331.284 2.263 20 5 EEBDRM Cc1ccc(CNC(=O)COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001600415654 1350045858 /nfs/dbraw/zinc/04/58/58/1350045858.db2.gz XHRWUSLWYLINBJ-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1ccc(OC[C@@H](O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001600468576 1350059442 /nfs/dbraw/zinc/05/94/42/1350059442.db2.gz KZWYUAKGWPEGOH-CYBMUJFWSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1nc(N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])ncc1[N+](=O)[O-] ZINC001600714234 1350120021 /nfs/dbraw/zinc/12/00/21/1350120021.db2.gz MBMYHZKLYDTWHX-GWCFXTLKSA-N -1 0 330.344 2.437 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC001600828157 1350146349 /nfs/dbraw/zinc/14/63/49/1350146349.db2.gz KBLRTOHDWNNKJU-UHFFFAOYSA-N -1 0 335.268 2.430 20 5 EEBDRM NC(=O)Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001601152660 1350221009 /nfs/dbraw/zinc/22/10/09/1350221009.db2.gz JHDPACCRJNFXKJ-XBXARRHUSA-N -1 0 341.323 2.464 20 5 EEBDRM Nc1c(C(=O)OCc2ccccc2CC(=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001601209061 1350231317 /nfs/dbraw/zinc/23/13/17/1350231317.db2.gz ZSWOMVAAOOGKRU-UHFFFAOYSA-N -1 0 348.286 2.300 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001601217023 1350233904 /nfs/dbraw/zinc/23/39/04/1350233904.db2.gz ZTXIHVOHVUPWQT-UHFFFAOYSA-N -1 0 327.296 2.078 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC001601469868 1350290833 /nfs/dbraw/zinc/29/08/33/1350290833.db2.gz SLQDOSDGSURSOC-UHFFFAOYSA-N -1 0 336.347 2.276 20 5 EEBDRM O=C([O-])C1=CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001601532338 1350302153 /nfs/dbraw/zinc/30/21/53/1350302153.db2.gz YGLGFVRVDLDGNV-SNVBAGLBSA-N -1 0 339.735 2.221 20 5 EEBDRM O=C([O-])[C@H](C[C@@H]1CCCOC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001601642822 1350327015 /nfs/dbraw/zinc/32/70/15/1350327015.db2.gz QLYUDAAXXRBUCN-HZMBPMFUSA-N -1 0 346.343 2.220 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@H]1Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC001601810696 1350369624 /nfs/dbraw/zinc/36/96/24/1350369624.db2.gz WCHDFPXEJHMVSD-AAEUAGOBSA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NC[C@@H]2CN(C3CC3)C(=O)O2)c([N+](=O)[O-])c1 ZINC001601881544 1350389355 /nfs/dbraw/zinc/38/93/55/1350389355.db2.gz CXJVIJKKWHWCRV-RDNKVPPGSA-N -1 0 347.327 2.088 20 5 EEBDRM O=C([O-])[C@]12CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]1COCC2 ZINC001602208347 1350466157 /nfs/dbraw/zinc/46/61/57/1350466157.db2.gz NSKUZCYNVVDQGH-LKFCYVNXSA-N -1 0 326.736 2.176 20 5 EEBDRM O=C([O-])c1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c[nH]1 ZINC001602242310 1350474405 /nfs/dbraw/zinc/47/44/05/1350474405.db2.gz TYDITIWXWBMFIG-UHFFFAOYSA-N -1 0 329.312 2.426 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC3(C2)CC(F)(F)C3)cc([N+](=O)[O-])c1 ZINC001602244195 1350474893 /nfs/dbraw/zinc/47/48/93/1350474893.db2.gz SFSRGPGYLJSYND-UHFFFAOYSA-N -1 0 326.255 2.164 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2nc3c(s2)CCC3)cc([N+](=O)[O-])c1 ZINC001602247115 1350475955 /nfs/dbraw/zinc/47/59/55/1350475955.db2.gz LEYPQRNRUUAVHR-UHFFFAOYSA-N -1 0 347.352 2.168 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCc1nnc2n1CCC2 ZINC001602298477 1350487735 /nfs/dbraw/zinc/48/77/35/1350487735.db2.gz JDASQGPWNFIOLP-UHFFFAOYSA-N -1 0 337.723 2.096 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](c2nnc[nH]2)C1 ZINC001602298825 1350488183 /nfs/dbraw/zinc/48/81/83/1350488183.db2.gz GTBGHKDYZIGTCS-ZETCQYMHSA-N -1 0 337.723 2.058 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(C[C@H]2CCc3ccccc3C2)c1=O ZINC001602300768 1350488353 /nfs/dbraw/zinc/48/83/53/1350488353.db2.gz UXMXBDZUDZKYJI-NSHDSACASA-N -1 0 328.324 2.260 20 5 EEBDRM O=C([O-])c1cnc(NC[C@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])c1 ZINC001602530475 1350539972 /nfs/dbraw/zinc/53/99/72/1350539972.db2.gz PYGNZKDDJSJBTA-VXNVDRBHSA-N -1 0 335.238 2.210 20 5 EEBDRM O=C([O-])[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC001602600366 1350554357 /nfs/dbraw/zinc/55/43/57/1350554357.db2.gz DEUAJNUJBFKEBX-CQSZACIVSA-N -1 0 345.263 2.306 20 5 EEBDRM O=C([O-])C1(COC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC001602613195 1350557528 /nfs/dbraw/zinc/55/75/28/1350557528.db2.gz ABWLTAAUZNVQLX-UHFFFAOYSA-N -1 0 345.311 2.192 20 5 EEBDRM O=Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001602668200 1350570026 /nfs/dbraw/zinc/57/00/26/1350570026.db2.gz KWWLJDCDXPTUMZ-UHFFFAOYSA-N -1 0 344.279 2.123 20 5 EEBDRM CC(C)CC[C@H](CO)Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001603278774 1350678150 /nfs/dbraw/zinc/67/81/50/1350678150.db2.gz WDGKWZTZOPEKKO-MRVPVSSYSA-N -1 0 326.382 2.045 20 5 EEBDRM CC(C)c1nccn1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001604020764 1350831440 /nfs/dbraw/zinc/83/14/40/1350831440.db2.gz SQYBMBBTFIZZKI-UHFFFAOYSA-N -1 0 332.316 2.252 20 5 EEBDRM CC(C)c1ocnc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604030036 1350833776 /nfs/dbraw/zinc/83/37/76/1350833776.db2.gz UFWGJFPNRVUGLA-MRXNPFEDSA-N -1 0 347.327 2.436 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC1 ZINC001604082665 1350850212 /nfs/dbraw/zinc/85/02/12/1350850212.db2.gz QYYOAHLCYVUQBU-INIZCTEOSA-N -1 0 331.328 2.449 20 5 EEBDRM CCC[C@H](OCC)C(=O)OCc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604151248 1350875482 /nfs/dbraw/zinc/87/54/82/1350875482.db2.gz WPFHQJMEYMWZGK-ZDUSSCGKSA-N -1 0 349.347 2.023 20 5 EEBDRM C[C@H](CNC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccccc1[N+](=O)[O-] ZINC001604178368 1350885056 /nfs/dbraw/zinc/88/50/56/1350885056.db2.gz YXFPLFRTGAFAMV-YPMHNXCESA-N -1 0 349.387 2.498 20 5 EEBDRM CC1(C)C[C@@H](CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC001604514050 1350952895 /nfs/dbraw/zinc/95/28/95/1350952895.db2.gz IQGDPPXCPUVGPM-JTQLQIEISA-N -1 0 336.344 2.228 20 5 EEBDRM CC[C@@H](C(=O)[O-])C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001604882345 1351024703 /nfs/dbraw/zinc/02/47/03/1351024703.db2.gz XDAIBYFNYHEFRI-LBPRGKRZSA-N -1 0 334.284 2.404 20 5 EEBDRM CCC1=C(C(=O)[O-])[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1 ZINC001605150067 1351088991 /nfs/dbraw/zinc/08/89/91/1351088991.db2.gz JAQRIDLOFMCGQY-LLVKDONJSA-N -1 0 325.321 2.001 20 5 EEBDRM CCC[C@@H](C)CCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001605205706 1351103073 /nfs/dbraw/zinc/10/30/73/1351103073.db2.gz AZNHTYDRESGJBS-SNVBAGLBSA-N -1 0 344.389 2.398 20 5 EEBDRM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1ccccc1[N+](=O)[O-] ZINC001606085231 1351268301 /nfs/dbraw/zinc/26/83/01/1351268301.db2.gz NZEZBFMKEXOEBF-UHFFFAOYSA-N -1 0 343.339 2.364 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2ccc(C(=O)[O-])cc2)n1 ZINC001606606161 1351331076 /nfs/dbraw/zinc/33/10/76/1351331076.db2.gz VZRCQRMAHJPUAU-UHFFFAOYSA-N -1 0 345.311 2.111 20 5 EEBDRM COC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H]1CCCOC1 ZINC001606819635 1351360691 /nfs/dbraw/zinc/36/06/91/1351360691.db2.gz UYNALNKFLYLWCN-BXUZGUMPSA-N -1 0 338.360 2.455 20 5 EEBDRM COCC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC001606856546 1351366954 /nfs/dbraw/zinc/36/69/54/1351366954.db2.gz CIKZKDLCONJEKW-ZDUSSCGKSA-N -1 0 348.311 2.394 20 5 EEBDRM COCCO[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001606900019 1351372395 /nfs/dbraw/zinc/37/23/95/1351372395.db2.gz APPYUNIIEYJBFQ-JTQLQIEISA-N -1 0 344.751 2.188 20 5 EEBDRM COc1cc([N+](=O)[O-])cnc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001607192040 1351446506 /nfs/dbraw/zinc/44/65/06/1351446506.db2.gz VPLLUKSXTXJXOT-UHFFFAOYSA-N -1 0 345.311 2.268 20 5 EEBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(C(=O)[O-])CC1 ZINC001607503114 1351506651 /nfs/dbraw/zinc/50/66/51/1351506651.db2.gz GRBQOZSPPKSTDW-UHFFFAOYSA-N -1 0 343.133 2.013 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001607621380 1351527170 /nfs/dbraw/zinc/52/71/70/1351527170.db2.gz WWBJNLLIPGVWIZ-UHFFFAOYSA-N -1 0 335.341 2.296 20 5 EEBDRM Cc1oc(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C(=O)[O-] ZINC001607826205 1351565986 /nfs/dbraw/zinc/56/59/86/1351565986.db2.gz GVVPXCQNUYRCJA-UHFFFAOYSA-N -1 0 339.325 2.477 20 5 EEBDRM Cc1nc(NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607965571 1351594371 /nfs/dbraw/zinc/59/43/71/1351594371.db2.gz PLWWQCHFUGODMK-CYBMUJFWSA-N -1 0 335.291 2.381 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC001608389325 1351684336 /nfs/dbraw/zinc/68/43/36/1351684336.db2.gz VCNNJOIIPNAFOW-GFCCVEGCSA-N -1 0 335.703 2.199 20 5 EEBDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000835035939 1372582875 /nfs/dbraw/zinc/58/28/75/1372582875.db2.gz LREDSOCNMHVFJK-UHFFFAOYSA-N -1 0 342.417 2.280 20 5 EEBDRM Cc1c([N-]c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])cnn1CC(C)C ZINC001591828435 1403953424 /nfs/dbraw/zinc/95/34/24/1403953424.db2.gz JVNUQJYUTAHVMM-UHFFFAOYSA-N -1 0 343.351 2.074 20 5 EEBDRM CCc1ccccc1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178984048 1405809568 /nfs/dbraw/zinc/80/95/68/1405809568.db2.gz RYRUHSSKVXPJPP-UHFFFAOYSA-N -1 0 334.353 2.276 20 5 EEBDRM CSCC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000920295251 770670751 /nfs/dbraw/zinc/67/07/51/770670751.db2.gz QVWVAIOHKKELFF-UHFFFAOYSA-N -1 0 335.341 2.444 20 5 EEBDRM C[C@H](CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1)C(=O)[O-] ZINC000237603547 774015473 /nfs/dbraw/zinc/01/54/73/774015473.db2.gz SRGKIDSWCGNHDS-SNVBAGLBSA-N -1 0 345.355 2.330 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1C ZINC000817353207 784690425 /nfs/dbraw/zinc/69/04/25/784690425.db2.gz QINYKPWVRBEILL-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000821078288 786589019 /nfs/dbraw/zinc/58/90/19/786589019.db2.gz PBRGCTAFPBODAY-UHFFFAOYSA-N -1 0 325.664 2.072 20 5 EEBDRM CO[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000910479773 786810093 /nfs/dbraw/zinc/81/00/93/786810093.db2.gz MXDAOMACGYCGCR-GFCCVEGCSA-N -1 0 334.250 2.294 20 5 EEBDRM CCO[C@@H]1COCC[C@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210142 788927472 /nfs/dbraw/zinc/92/74/72/788927472.db2.gz PLXPWMRGTAFHNV-AVXNYWLKSA-N -1 0 336.344 2.299 20 5 EEBDRM CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000172017287 791518996 /nfs/dbraw/zinc/51/89/96/791518996.db2.gz WGXFQLZXYZOORT-QMMMGPOBSA-N -1 0 334.781 2.345 20 5 EEBDRM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000174017292 791944097 /nfs/dbraw/zinc/94/40/97/791944097.db2.gz UQTXJPOGHCJEFX-UWVGGRQHSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C([O-])c1cc(Nc2cccnc2N2CCOCC2)cc([N+](=O)[O-])c1 ZINC001176674520 798523540 /nfs/dbraw/zinc/52/35/40/798523540.db2.gz LMXFVVARYCLHNP-UHFFFAOYSA-N -1 0 344.327 2.268 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000584388650 939797577 /nfs/dbraw/zinc/79/75/77/939797577.db2.gz QBZGKKPQLVLFQR-CYBMUJFWSA-N -1 0 349.368 2.324 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001595270659 949822691 /nfs/dbraw/zinc/82/26/91/949822691.db2.gz HEUNQQRCAPYZCY-ZIAGYGMSSA-N -1 0 327.296 2.430 20 5 EEBDRM O=C([O-])CC1(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC001594979797 950975892 /nfs/dbraw/zinc/97/58/92/950975892.db2.gz PWVXWUSAXHNYCL-UHFFFAOYSA-N -1 0 326.736 2.304 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001589273529 953437960 /nfs/dbraw/zinc/43/79/60/953437960.db2.gz YTBHQGNGXNLGEN-WAZAZEMKSA-N -1 0 332.356 2.268 20 5 EEBDRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC001589344024 954037068 /nfs/dbraw/zinc/03/70/68/954037068.db2.gz KFLDOUQZCJZWIP-KAOXEZKKSA-N -1 0 332.356 2.268 20 5 EEBDRM C[C@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC001589365961 954193763 /nfs/dbraw/zinc/19/37/63/954193763.db2.gz CTCNVMVOCLDJEH-JOYOIKCWSA-N -1 0 342.298 2.256 20 5 EEBDRM O=C([O-])C1CC2(C1)CC[C@@H](CNc1nc3cc([N+](=O)[O-])ccc3[nH]1)O2 ZINC001594906441 954680246 /nfs/dbraw/zinc/68/02/46/954680246.db2.gz AWKREYGTGWJWQB-UTJYPRCQSA-N -1 0 346.343 2.295 20 5 EEBDRM COC(=O)c1c(Cl)c(N2CCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593867607 955600934 /nfs/dbraw/zinc/60/09/34/955600934.db2.gz HNOULSWBMKKZBD-SECBINFHSA-N -1 0 328.708 2.088 20 5 EEBDRM COC(=O)c1ccc(OC(=O)c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001593883239 955729967 /nfs/dbraw/zinc/72/99/67/955729967.db2.gz USURQJMZSMQDFM-UHFFFAOYSA-N -1 0 345.263 2.299 20 5 EEBDRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001594564650 955829116 /nfs/dbraw/zinc/82/91/16/955829116.db2.gz YXDPUAPCTQASQA-UHFFFAOYSA-N -1 0 344.327 2.010 20 5 EEBDRM Nc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC001594665820 956573582 /nfs/dbraw/zinc/57/35/82/956573582.db2.gz PGNJMDKVMPFWJP-TZMCWYRMSA-N -1 0 341.323 2.220 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001589202383 956640505 /nfs/dbraw/zinc/64/05/05/956640505.db2.gz OSYQKCWDUDBBJW-HNNXBMFYSA-N -1 0 346.299 2.352 20 5 EEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)CC2 ZINC001594331076 958219777 /nfs/dbraw/zinc/21/97/77/958219777.db2.gz HTPILMKDDMXQAY-STQMWFEESA-N -1 0 348.355 2.062 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001594381379 958625606 /nfs/dbraw/zinc/62/56/06/958625606.db2.gz WOVBWKFHJPOPRJ-SECBINFHSA-N -1 0 331.284 2.309 20 5 EEBDRM C[C@@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001594200689 959247787 /nfs/dbraw/zinc/24/77/87/959247787.db2.gz JSNRWNPRZUNUPG-QKCSRTOESA-N -1 0 336.344 2.042 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000158999733 967651937 /nfs/dbraw/zinc/65/19/37/967651937.db2.gz ZMUVAQNVHYKKBP-JTQLQIEISA-N -1 0 345.149 2.196 20 5 EEBDRM O=C([O-])C1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCSCC1 ZINC001605916970 972798071 /nfs/dbraw/zinc/79/80/71/972798071.db2.gz GPTIUSUAOJNAHX-UHFFFAOYSA-N -1 0 336.369 2.035 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001603575629 973723985 /nfs/dbraw/zinc/72/39/85/973723985.db2.gz YSVFVLSVVBJITB-LBPRGKRZSA-N -1 0 346.343 2.083 20 5 EEBDRM CCOC(=O)c1cc(-c2nc([C@H](C)C(=O)[O-])no2)cc([N+](=O)[O-])c1 ZINC001603810137 974280528 /nfs/dbraw/zinc/28/05/28/974280528.db2.gz CLLBCUWSIMHYOX-ZETCQYMHSA-N -1 0 335.272 2.010 20 5 EEBDRM CC(C)c1ccc(C(=O)NCc2nc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001591943232 976476577 /nfs/dbraw/zinc/47/65/77/976476577.db2.gz ORTFVKGJPFFEGP-UHFFFAOYSA-N -1 0 333.300 2.334 20 5 EEBDRM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC001592574431 978471343 /nfs/dbraw/zinc/47/13/43/978471343.db2.gz QTHBWAAEBIIBAC-SSDOTTSWSA-N -1 0 334.250 2.406 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000799243897 978837649 /nfs/dbraw/zinc/83/76/49/978837649.db2.gz UJPJHCBXYXWTSR-MRXNPFEDSA-N -1 0 346.343 2.154 20 5 EEBDRM C[C@H](CNC(=O)c1ccoc1CC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001592701374 979162190 /nfs/dbraw/zinc/16/21/90/979162190.db2.gz MUGDCMMMDUAFPM-SNVBAGLBSA-N -1 0 332.312 2.348 20 5 EEBDRM CC[C@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCS1 ZINC001595488143 981235035 /nfs/dbraw/zinc/23/50/35/981235035.db2.gz NPKBGFVHYJVQBJ-LBPRGKRZSA-N -1 0 340.401 2.386 20 5 EEBDRM CCCCN(C)C(=O)CSc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595735885 982381086 /nfs/dbraw/zinc/38/10/86/982381086.db2.gz QDEPJWWXIRNSTQ-UHFFFAOYSA-N -1 0 341.389 2.347 20 5 EEBDRM CCCN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC001595817398 982680358 /nfs/dbraw/zinc/68/03/58/982680358.db2.gz WAHUSAUYYXDYGL-SNVBAGLBSA-N -1 0 326.374 2.399 20 5 EEBDRM CC[C@H](C)C[C@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OC ZINC001594953996 982683784 /nfs/dbraw/zinc/68/37/84/982683784.db2.gz XXIPBGQEUGIQMX-KWQFWETISA-N -1 0 339.348 2.386 20 5 EEBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(C)(C)C(=O)[O-] ZINC001596169856 983534446 /nfs/dbraw/zinc/53/44/46/983534446.db2.gz ULCZUTUXUMTAIU-UHFFFAOYSA-N -1 0 346.343 2.106 20 5 EEBDRM CCNc1ncc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001596507640 984266049 /nfs/dbraw/zinc/26/60/49/984266049.db2.gz NFZOITMAGKSGAY-UHFFFAOYSA-N -1 0 336.329 2.434 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc(C(=O)[O-])no1 ZINC001589003111 984950377 /nfs/dbraw/zinc/95/03/77/984950377.db2.gz VRJPMMOUDWGADU-RMKNXTFCSA-N -1 0 332.268 2.428 20 5 EEBDRM CC(C)(C)OC(=O)[C@H]1C[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001590360290 989810756 /nfs/dbraw/zinc/81/07/56/989810756.db2.gz RPIDQJXUZYRQLX-DTORHVGOSA-N -1 0 337.332 2.220 20 5 EEBDRM CC(C)(CC(=O)[O-])CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001590631792 990321866 /nfs/dbraw/zinc/32/18/66/990321866.db2.gz LPXRFDNZSGHBOI-UHFFFAOYSA-N -1 0 330.287 2.380 20 5 EEBDRM CC(C)(CCC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)[N+](=O)[O-] ZINC001590655803 990350637 /nfs/dbraw/zinc/35/06/37/990350637.db2.gz DGGKSEBPEFLNHY-UHFFFAOYSA-N -1 0 338.335 2.244 20 5 EEBDRM COc1nc(C)cc(C)c1CN(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001599729545 991688175 /nfs/dbraw/zinc/68/81/75/991688175.db2.gz UQRPEFIHNFRORG-UHFFFAOYSA-N -1 0 346.343 2.345 20 5 EEBDRM CN(Cc1cscn1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001598536911 992850576 /nfs/dbraw/zinc/85/05/76/992850576.db2.gz RSAAQVGULPBJAO-UHFFFAOYSA-N -1 0 338.301 2.294 20 5 EEBDRM COC(=O)[C@@H]1CC12CCN(c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])CC2 ZINC001598764796 995817833 /nfs/dbraw/zinc/81/78/33/995817833.db2.gz KZCYFLORMNEHKG-LBPRGKRZSA-N -1 0 348.355 2.381 20 5 EEBDRM COC(=O)[C@]12CCC[C@H]1CN(c1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C2 ZINC001598908427 997311894 /nfs/dbraw/zinc/31/18/94/997311894.db2.gz UUBINIAKJLHUHH-SJCJKPOMSA-N -1 0 348.355 2.001 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)CC(=O)[O-] ZINC001599461968 998288638 /nfs/dbraw/zinc/28/86/38/998288638.db2.gz KUWOLNQQMZKZPT-UHFFFAOYSA-N -1 0 325.321 2.226 20 5 EEBDRM C[C@@H]1CC(=O)CC[C@@H]1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594197500 998763993 /nfs/dbraw/zinc/76/39/93/998763993.db2.gz SWPVEAQXXTZWOO-RNCFNFMXSA-N -1 0 335.312 2.342 20 5 EEBDRM C[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC[S@@]1=O ZINC001594431751 999606693 /nfs/dbraw/zinc/60/66/93/999606693.db2.gz LYEQUVFPDUZESA-PJLCYMMNSA-N -1 0 346.792 2.294 20 5 EEBDRM COc1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000262110551 201201534 /nfs/dbraw/zinc/20/15/34/201201534.db2.gz AUUXGKDOLLARRB-SUHUHFCYSA-N -1 0 348.355 2.461 20 5 EEBDRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262421366 201204189 /nfs/dbraw/zinc/20/41/89/201204189.db2.gz FCLUXAMQNNAKQM-QMMMGPOBSA-N -1 0 340.641 2.384 20 5 EEBDRM CC(C)C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000236763993 242349320 /nfs/dbraw/zinc/34/93/20/242349320.db2.gz BJRXMOOBWYGGHF-AWEZNQCLSA-N -1 0 337.376 2.402 20 5 EEBDRM O=C([O-])CCCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237916303 242854253 /nfs/dbraw/zinc/85/42/53/242854253.db2.gz RGWZRAKCXGKKQN-UHFFFAOYSA-N -1 0 345.149 2.342 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000456302557 244210070 /nfs/dbraw/zinc/21/00/70/244210070.db2.gz GMMMYUUTWVYAIZ-CZUORRHYSA-N -1 0 343.339 2.346 20 5 EEBDRM C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[C@@H]1C(=O)[O-] ZINC000262883815 245232330 /nfs/dbraw/zinc/23/23/30/245232330.db2.gz HAMFCWZONQRNBY-KOLCDFICSA-N -1 0 331.328 2.259 20 5 EEBDRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000262940723 245261914 /nfs/dbraw/zinc/26/19/14/245261914.db2.gz PUCNTLJZLOOIEB-QGZVFWFLSA-N -1 0 349.387 2.356 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN2CCOc3cccc1c32 ZINC000356775728 296183774 /nfs/dbraw/zinc/18/37/74/296183774.db2.gz LKXBCSMSIHYNJQ-UHFFFAOYSA-N -1 0 341.323 2.160 20 5 EEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)/C=C\C2CC2)cc1[N+](=O)[O-] ZINC000491908865 246209068 /nfs/dbraw/zinc/20/90/68/246209068.db2.gz MJMHKILYUXAYDN-PLNGDYQASA-N -1 0 344.776 2.328 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000266163683 248140982 /nfs/dbraw/zinc/14/09/82/248140982.db2.gz HWVVUPRORXCRJU-MRVPVSSYSA-N -1 0 344.780 2.021 20 5 EEBDRM O=C(CCCNC(=O)C1CC1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180788511 207837112 /nfs/dbraw/zinc/83/71/12/207837112.db2.gz RIWYKENSNMIYBC-UHFFFAOYSA-N -1 0 341.751 2.199 20 5 EEBDRM CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)NCC1CCCC1 ZINC000185240280 255937315 /nfs/dbraw/zinc/93/73/15/255937315.db2.gz VWGCNQUNIOZCCM-UHFFFAOYSA-N -1 0 349.387 2.115 20 5 EEBDRM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000273604844 256310995 /nfs/dbraw/zinc/31/09/95/256310995.db2.gz SEACIHLMIUPTDV-QWRGUYRKSA-N -1 0 346.380 2.217 20 5 EEBDRM CC(C)(C)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000112761533 292228265 /nfs/dbraw/zinc/22/82/65/292228265.db2.gz RSLKBMWVOJPVDX-FNORWQNLSA-N -1 0 344.364 2.239 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000263054398 152365770 /nfs/dbraw/zinc/36/57/70/152365770.db2.gz OCZBQWVGOJTPDB-NRUUGDAUSA-N -1 0 338.385 2.397 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000263104823 152376159 /nfs/dbraw/zinc/37/61/59/152376159.db2.gz BGVVJVSPSKHMSK-OLZOCXBDSA-N -1 0 349.387 2.356 20 5 EEBDRM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000355885188 153187123 /nfs/dbraw/zinc/18/71/23/153187123.db2.gz VVMBQBFUPFDXNM-UHFFFAOYSA-N -1 0 346.727 2.165 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCc1cccs1 ZINC000128560033 292344394 /nfs/dbraw/zinc/34/43/94/292344394.db2.gz HKNCAGQNZZSPFG-UHFFFAOYSA-N -1 0 330.362 2.316 20 5 EEBDRM COCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000360633203 292363257 /nfs/dbraw/zinc/36/32/57/292363257.db2.gz LXTPWJRYUKKLQG-UHFFFAOYSA-N -1 0 343.188 2.216 20 5 EEBDRM Cc1ccc(-n2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])nn2)cc1 ZINC000089530925 159183001 /nfs/dbraw/zinc/18/30/01/159183001.db2.gz DVFUMUKOLSRIOV-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000093929419 159240493 /nfs/dbraw/zinc/24/04/93/159240493.db2.gz XGXDVPCXJNDABC-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000237990890 160226955 /nfs/dbraw/zinc/22/69/55/160226955.db2.gz PRHNSZUIGIOJCD-INIZCTEOSA-N -1 0 328.324 2.470 20 5 EEBDRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000342468211 161067708 /nfs/dbraw/zinc/06/77/08/161067708.db2.gz BETSYFRDLNOVLA-UHFFFAOYSA-N -1 0 326.268 2.190 20 5 EEBDRM O=c1nc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)[n-]c2ccsc21 ZINC000346640438 161387828 /nfs/dbraw/zinc/38/78/28/161387828.db2.gz GHOSSFNXMOLJHW-UHFFFAOYSA-N -1 0 338.732 2.169 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCO3)ccc1[N+](=O)[O-] ZINC000359827609 164179406 /nfs/dbraw/zinc/17/94/06/164179406.db2.gz DMSHZSSUPPLAME-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM CC(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000181857234 274009160 /nfs/dbraw/zinc/00/91/60/274009160.db2.gz HSSNAXIKUZLHJK-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM CNC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000185598203 274021299 /nfs/dbraw/zinc/02/12/99/274021299.db2.gz OBONINRUZJXYOB-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2ccccc2[C@H]1CO ZINC000185713035 274022308 /nfs/dbraw/zinc/02/23/08/274022308.db2.gz BCQVHYBCRIHXEA-OAHLLOKOSA-N -1 0 328.324 2.032 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC000290448129 275208417 /nfs/dbraw/zinc/20/84/17/275208417.db2.gz CVDWYUYKHDZQDP-UHFFFAOYSA-N -1 0 336.373 2.315 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290859335 275246862 /nfs/dbraw/zinc/24/68/62/275246862.db2.gz AFTASDGMXMOQJC-LLVKDONJSA-N -1 0 336.735 2.238 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cn1 ZINC000493746469 278278449 /nfs/dbraw/zinc/27/84/49/278278449.db2.gz BXVDJXSUUOWPOE-YVMONPNESA-N -1 0 344.327 2.263 20 5 EEBDRM CC1CCN(c2ccc(C(=O)NC3(C(=O)[O-])CC3)cc2[N+](=O)[O-])CC1 ZINC000236669471 281838452 /nfs/dbraw/zinc/83/84/52/281838452.db2.gz FBSSXXDOGXRTEQ-UHFFFAOYSA-N -1 0 347.371 2.178 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000263254190 297216912 /nfs/dbraw/zinc/21/69/12/297216912.db2.gz TXUFROOHRXRZQE-HTQZYQBOSA-N -1 0 344.165 2.299 20 5 EEBDRM Cn1nccc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000370142738 303074451 /nfs/dbraw/zinc/07/44/51/303074451.db2.gz ZUUXZRQHHGQRHK-LLVKDONJSA-N -1 0 330.344 2.054 20 5 EEBDRM O=C([O-])CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000321965284 311597540 /nfs/dbraw/zinc/59/75/40/311597540.db2.gz GQTJVHHFPAAPCA-UHFFFAOYSA-N -1 0 342.373 2.051 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000416399956 313213086 /nfs/dbraw/zinc/21/30/86/313213086.db2.gz PWSJUSMWMHWEQL-NSHDSACASA-N -1 0 331.328 2.478 20 5 EEBDRM O=C(Nc1ccc(N2CCCC2=O)cn1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000435698484 314918643 /nfs/dbraw/zinc/91/86/43/314918643.db2.gz RKGRTMQYJCEUIU-UHFFFAOYSA-N -1 0 342.311 2.075 20 5 EEBDRM O=C(Nc1ccc(OCCCO)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436694524 314989057 /nfs/dbraw/zinc/98/90/57/314989057.db2.gz AAZFGVYVKSDZDV-UHFFFAOYSA-N -1 0 332.312 2.314 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCOc2ccc(F)cc2C1 ZINC000436832876 315004135 /nfs/dbraw/zinc/00/41/35/315004135.db2.gz TUICKFHHKNXWAY-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436949392 315015248 /nfs/dbraw/zinc/01/52/48/315015248.db2.gz XFFDUPJTVDGPGC-GFCCVEGCSA-N -1 0 344.323 2.212 20 5 EEBDRM CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1CO ZINC000436963860 315017283 /nfs/dbraw/zinc/01/72/83/315017283.db2.gz HVHWPDRWTKSKES-UHFFFAOYSA-N -1 0 332.312 2.444 20 5 EEBDRM Cn1c(=O)[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc21 ZINC000443167822 315232048 /nfs/dbraw/zinc/23/20/48/315232048.db2.gz MDDGZXHWNGNHMG-UHFFFAOYSA-N -1 0 328.284 2.145 20 5 EEBDRM CC(C)(C)OC(=O)NC1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000495745852 316084799 /nfs/dbraw/zinc/08/47/99/316084799.db2.gz MGRRXOBLLKZCMG-UHFFFAOYSA-N -1 0 325.321 2.137 20 5 EEBDRM COc1ccc2c(c1)CCN(c1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000515499464 316499757 /nfs/dbraw/zinc/49/97/57/316499757.db2.gz OATKAEQAAQFJAK-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM O=C([O-])Cc1ccc(NCc2nnc3n2CCCCC3)c([N+](=O)[O-])c1 ZINC000517571793 316676600 /nfs/dbraw/zinc/67/66/00/316676600.db2.gz DDFGZHJAMDKQFZ-UHFFFAOYSA-N -1 0 345.359 2.152 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000563624053 319031750 /nfs/dbraw/zinc/03/17/50/319031750.db2.gz LMBGPRIRFKVEQH-LURJTMIESA-N -1 0 325.350 2.447 20 5 EEBDRM COc1ccc2c(c1)OC[C@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000563959277 319059541 /nfs/dbraw/zinc/05/95/41/319059541.db2.gz FRVLFVPVNYPNIN-SNVBAGLBSA-N -1 0 345.311 2.112 20 5 EEBDRM Cc1cc(NC[C@@H](C)CC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000565041539 319142777 /nfs/dbraw/zinc/14/27/77/319142777.db2.gz UYQNZPAJWVGZQJ-JTQLQIEISA-N -1 0 330.344 2.305 20 5 EEBDRM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C(C)(C)C1 ZINC000567265266 319364783 /nfs/dbraw/zinc/36/47/83/319364783.db2.gz HPEUWBWKXWYSFV-VIFPVBQESA-N -1 0 342.373 2.102 20 5 EEBDRM Cc1cc(N2CCC(F)(F)[C@@H](CO)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567475756 319383411 /nfs/dbraw/zinc/38/34/11/319383411.db2.gz WRIWHCAZUXZLKH-SECBINFHSA-N -1 0 330.287 2.055 20 5 EEBDRM CN(C1CC(C)(C)C1)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575050567 320082829 /nfs/dbraw/zinc/08/28/29/320082829.db2.gz PFPDPXHVXUZYBP-UHFFFAOYSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000575408762 320104805 /nfs/dbraw/zinc/10/48/05/320104805.db2.gz ZIXGGNCCXCMYKC-UISBYWKRSA-N -1 0 326.736 2.251 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCOC[C@H]1C1CC1 ZINC000577853142 320280003 /nfs/dbraw/zinc/28/00/03/320280003.db2.gz WUZQPOCDQOBQMA-LBPRGKRZSA-N -1 0 326.736 2.205 20 5 EEBDRM O=C([O-])CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000579239552 323808833 /nfs/dbraw/zinc/80/88/33/323808833.db2.gz BRDOKDUGJOXDTH-UHFFFAOYSA-N -1 0 337.332 2.082 20 5 EEBDRM COc1ccc(CN(C)c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1O ZINC000579479653 323863226 /nfs/dbraw/zinc/86/32/26/323863226.db2.gz YJROPGDVNOEJHN-UHFFFAOYSA-N -1 0 347.327 2.347 20 5 EEBDRM CCO[C@@H]1C[C@@](O)(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000581074229 324181402 /nfs/dbraw/zinc/18/14/02/324181402.db2.gz KZOWBGWHDCFGJG-CZUORRHYSA-N -1 0 338.360 2.271 20 5 EEBDRM Cc1cc(N[C@@H](C)[C@H](C)N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582124504 324385980 /nfs/dbraw/zinc/38/59/80/324385980.db2.gz HTPPUWHKZGJMSB-RYUDHWBXSA-N -1 0 337.376 2.123 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000336877197 465070017 /nfs/dbraw/zinc/07/00/17/465070017.db2.gz NUVXKXLACKCWEV-UHFFFAOYSA-N -1 0 330.296 2.239 20 5 EEBDRM O=C(N[C@@H](CO)c1c(F)cccc1F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000351671638 465284399 /nfs/dbraw/zinc/28/43/99/465284399.db2.gz FDUOTARXMLLJRL-NSHDSACASA-N -1 0 338.266 2.042 20 5 EEBDRM COc1ccc(C(=O)COc2ccccc2[N+](=O)[O-])c2occ([O-])c21 ZINC000351697711 465298813 /nfs/dbraw/zinc/29/88/13/465298813.db2.gz OOHQEOLGFBUELH-UHFFFAOYSA-N -1 0 343.291 2.440 20 5 EEBDRM CCCN(CCC)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000579014380 468296960 /nfs/dbraw/zinc/29/69/60/468296960.db2.gz XNAPZXNYEYSVKW-UHFFFAOYSA-N -1 0 330.362 2.104 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000131235483 462800763 /nfs/dbraw/zinc/80/07/63/462800763.db2.gz MHRHHBIVLFCKIL-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000016126456 462970094 /nfs/dbraw/zinc/97/00/94/462970094.db2.gz BSXGNJIVTFBUEO-UHFFFAOYSA-N -1 0 349.368 2.145 20 5 EEBDRM O=C(NCc1nnc(C2CC2)n1C1CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000156525344 463035872 /nfs/dbraw/zinc/03/58/72/463035872.db2.gz OJFYELHWDNCRHC-UHFFFAOYSA-N -1 0 343.343 2.034 20 5 EEBDRM COc1cc([C@@H]2NC(=O)c3ccccc3N2C)cc([N+](=O)[O-])c1[O-] ZINC000024098651 463078154 /nfs/dbraw/zinc/07/81/54/463078154.db2.gz QPCSJRBKSYCBCV-OAHLLOKOSA-N -1 0 329.312 2.187 20 5 EEBDRM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000027410507 463190713 /nfs/dbraw/zinc/19/07/13/463190713.db2.gz KNQRTAWZFWEDGT-UHFFFAOYSA-N -1 0 344.323 2.344 20 5 EEBDRM Cc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000080641444 463341803 /nfs/dbraw/zinc/34/18/03/463341803.db2.gz UEEVJASRPXUJNV-UHFFFAOYSA-N -1 0 331.737 2.023 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC000162360863 463503447 /nfs/dbraw/zinc/50/34/47/463503447.db2.gz AIABUZDVXSYQMG-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CC(C)Oc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000269219893 463915202 /nfs/dbraw/zinc/91/52/02/463915202.db2.gz ZYOHDNNTQWIJLE-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM CC(C)Cc1nnc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])o1 ZINC000194856341 463943648 /nfs/dbraw/zinc/94/36/48/463943648.db2.gz WIEGIFASQQLVOT-UHFFFAOYSA-N -1 0 344.324 2.116 20 5 EEBDRM CSc1nsc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000269457903 463992026 /nfs/dbraw/zinc/99/20/26/463992026.db2.gz HEOIKHUMJPNDQN-UHFFFAOYSA-N -1 0 328.379 2.267 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000263492175 464115531 /nfs/dbraw/zinc/11/55/31/464115531.db2.gz XAOXWTRDCJQWFF-NKWVEPMBSA-N -1 0 345.149 2.196 20 5 EEBDRM CC(C)c1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263540597 464126193 /nfs/dbraw/zinc/12/61/93/464126193.db2.gz QQPYFLNQPZSBQQ-GFCCVEGCSA-N -1 0 336.344 2.034 20 5 EEBDRM CC1CCN(c2ccc(C(=O)NCCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000236729639 464221558 /nfs/dbraw/zinc/22/15/58/464221558.db2.gz GQXCRUCOLXVPOL-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000292643809 464296328 /nfs/dbraw/zinc/29/63/28/464296328.db2.gz ZTXGCTWMBJTTFR-LSDHHAIUSA-N -1 0 332.356 2.474 20 5 EEBDRM O=C([O-])c1csc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000173655862 464304111 /nfs/dbraw/zinc/30/41/11/464304111.db2.gz FWMDMFGAGOSAPB-SNAWJCMRSA-N -1 0 333.325 2.079 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC000298639353 465457824 /nfs/dbraw/zinc/45/78/24/465457824.db2.gz PPSRLIPRQDRTSN-UHFFFAOYSA-N -1 0 349.265 2.150 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H](C)C(=O)[O-] ZINC000294465765 464508054 /nfs/dbraw/zinc/50/80/54/464508054.db2.gz CXUBMVVGGIKRBD-GHMZBOCLSA-N -1 0 335.360 2.034 20 5 EEBDRM CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)no1 ZINC000182944826 464763489 /nfs/dbraw/zinc/76/34/89/464763489.db2.gz PKNCSEJYPHQIRM-UHFFFAOYSA-N -1 0 344.324 2.215 20 5 EEBDRM CCOC(=O)c1ccnc([N-]c2cc3n(n2)CCCC3)c1[N+](=O)[O-] ZINC000286367383 464894364 /nfs/dbraw/zinc/89/43/64/464894364.db2.gz LGAVKXRRYNAINQ-UHFFFAOYSA-N -1 0 331.332 2.443 20 5 EEBDRM Cn1ccnc1[C@@H]1N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1(C)C ZINC000295801228 464968887 /nfs/dbraw/zinc/96/88/87/464968887.db2.gz GBODSTLVGANEDK-ZDUSSCGKSA-N -1 0 330.344 2.257 20 5 EEBDRM COc1cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000338081530 465805857 /nfs/dbraw/zinc/80/58/57/465805857.db2.gz CJWHHSDBBPQUNQ-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM COCCNc1ccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000353432825 465878175 /nfs/dbraw/zinc/87/81/75/465878175.db2.gz ZQCDQGCGADPTIS-UHFFFAOYSA-N -1 0 345.355 2.289 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnn2ncccc12 ZINC000357619403 466182451 /nfs/dbraw/zinc/18/24/51/466182451.db2.gz IWCGOOZBVPQNGB-UHFFFAOYSA-N -1 0 333.691 2.249 20 5 EEBDRM Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC000320248555 466606215 /nfs/dbraw/zinc/60/62/15/466606215.db2.gz HVAIMFSQCVFCBK-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000325598286 466659899 /nfs/dbraw/zinc/65/98/99/466659899.db2.gz GFKJMWQIENNRPC-AWEZNQCLSA-N -1 0 332.287 2.160 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424399001 467040988 /nfs/dbraw/zinc/04/09/88/467040988.db2.gz BQBLCSMQTNJGTB-UHFFFAOYSA-N -1 0 337.376 2.280 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)cc1[N+](=O)[O-] ZINC000451052019 467235171 /nfs/dbraw/zinc/23/51/71/467235171.db2.gz UTFIVZZAAVQSPC-UHFFFAOYSA-N -1 0 349.368 2.288 20 5 EEBDRM CC(C)(C)OC(=O)N1CC(CCOC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000497010870 467783957 /nfs/dbraw/zinc/78/39/57/467783957.db2.gz LCGYBPZLEYERKA-UHFFFAOYSA-N -1 0 339.348 2.337 20 5 EEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1(C(=O)[O-])CCSCC1 ZINC000492897260 467787385 /nfs/dbraw/zinc/78/73/85/467787385.db2.gz RQPZMYVKUNUAKQ-UTCJRWHESA-N -1 0 336.369 2.075 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493825728 467991431 /nfs/dbraw/zinc/99/14/31/467991431.db2.gz QOHXWRARRUVUTB-MIEUEZKFSA-N -1 0 336.319 2.459 20 5 EEBDRM CC(C)[C@@H](CO)[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(C)C ZINC000515655530 468000756 /nfs/dbraw/zinc/00/07/56/468000756.db2.gz KHAHCRPADFLZMV-NEPJUHHUSA-N -1 0 325.365 2.389 20 5 EEBDRM Cc1cccc(CCCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])n1 ZINC000575991859 468157882 /nfs/dbraw/zinc/15/78/82/468157882.db2.gz GJWKZHKFMYSHPR-UHFFFAOYSA-N -1 0 330.344 2.745 20 5 EEBDRM Cc1ccc(-c2nsc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])n2)s1 ZINC000548943657 468161022 /nfs/dbraw/zinc/16/10/22/468161022.db2.gz VLHRIWHBNSXTCH-UHFFFAOYSA-N -1 0 336.358 2.459 20 5 EEBDRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccncc1[N+](=O)[O-] ZINC000589657443 468173021 /nfs/dbraw/zinc/17/30/21/468173021.db2.gz IMQRVFCFGLIJOO-UHFFFAOYSA-N -1 0 335.385 2.337 20 5 EEBDRM O=C([O-])c1cnc(N2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000519603693 468181413 /nfs/dbraw/zinc/18/14/13/468181413.db2.gz KRCBCNLYBHZPCT-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM COc1nc(N2CCc3c(cccc3[N+](=O)[O-])C2)ccc1C(=O)[O-] ZINC000567978160 468248486 /nfs/dbraw/zinc/24/84/86/468248486.db2.gz ZLELRPSJHJBVHN-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H](n2cccn2)C1 ZINC000578772996 468256289 /nfs/dbraw/zinc/25/62/89/468256289.db2.gz ABEDYDSETFCCOG-SNVBAGLBSA-N -1 0 336.735 2.238 20 5 EEBDRM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1c(C)noc1C ZINC000534509760 468260498 /nfs/dbraw/zinc/26/04/98/468260498.db2.gz NMYPQENNKRRKRV-JTQLQIEISA-N -1 0 340.361 2.024 20 5 EEBDRM CC(C)[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000594534338 468616606 /nfs/dbraw/zinc/61/66/06/468616606.db2.gz FEESQTWHYGNMOL-ZDUSSCGKSA-N -1 0 337.376 2.136 20 5 EEBDRM COC[C@H](CC(C)(C)C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000594597588 468630815 /nfs/dbraw/zinc/63/08/15/468630815.db2.gz PEQXCZJBVQHAHM-LBPRGKRZSA-N -1 0 338.360 2.474 20 5 EEBDRM COCc1csc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000594735304 468668085 /nfs/dbraw/zinc/66/80/85/468668085.db2.gz KUPRESLVOAVACG-UHFFFAOYSA-N -1 0 337.357 2.816 20 5 EEBDRM CC(C)(CO)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000597844426 468689685 /nfs/dbraw/zinc/68/96/85/468689685.db2.gz DVRGEOPNWBKIAS-HNNXBMFYSA-N -1 0 345.355 2.185 20 5 EEBDRM O=C(Nc1nnc2n1CCCC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592786051 468785549 /nfs/dbraw/zinc/78/55/49/468785549.db2.gz MDIDVNCWCJEQFQ-UHFFFAOYSA-N -1 0 337.723 2.134 20 5 EEBDRM COc1cc(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000595248739 468792899 /nfs/dbraw/zinc/79/28/99/468792899.db2.gz CFWBPKBKGDJWPV-CJNGLKHVSA-N -1 0 336.344 2.285 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cnn(CC(F)(F)F)c2)n1 ZINC000592976734 468831855 /nfs/dbraw/zinc/83/18/55/468831855.db2.gz STOVTGHIPJXVGG-UHFFFAOYSA-N -1 0 345.237 2.059 20 5 EEBDRM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598480276 468880369 /nfs/dbraw/zinc/88/03/69/468880369.db2.gz IVRZPJONWQAKMX-CJNGLKHVSA-N -1 0 336.344 2.152 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)o1 ZINC000598735617 468979116 /nfs/dbraw/zinc/97/91/16/468979116.db2.gz XSSGBQQHMKTXAO-UHFFFAOYSA-N -1 0 340.361 2.348 20 5 EEBDRM CC(C)c1ncc2c(n1)CCN(c1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000598939321 469058128 /nfs/dbraw/zinc/05/81/28/469058128.db2.gz IGFBOCMEELOLDW-UHFFFAOYSA-N -1 0 343.343 2.164 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000610892044 469105877 /nfs/dbraw/zinc/10/58/77/469105877.db2.gz MJFWQPTZHDDPJT-NSHDSACASA-N -1 0 347.371 2.496 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@](C)(O)C2CCCCC2)n1 ZINC000565035909 469265787 /nfs/dbraw/zinc/26/57/87/469265787.db2.gz NSUXLJYNNCOTPX-MRXNPFEDSA-N -1 0 337.376 2.740 20 5 EEBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000611526519 469271867 /nfs/dbraw/zinc/27/18/67/469271867.db2.gz ZEUIEZJAAPXRDG-LBPRGKRZSA-N -1 0 345.355 2.474 20 5 EEBDRM COc1nc(C)cc(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534867 469274206 /nfs/dbraw/zinc/27/42/06/469274206.db2.gz YBUTYOUIOKBDHI-UHFFFAOYSA-N -1 0 331.328 2.251 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CC23CCSCC3)n1 ZINC000574639846 469277865 /nfs/dbraw/zinc/27/78/65/469277865.db2.gz FNCQZWMPAAZMFF-SNVBAGLBSA-N -1 0 337.401 2.942 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCCc3occc32)ccc1[O-] ZINC000603492751 469403193 /nfs/dbraw/zinc/40/31/93/469403193.db2.gz FXCBGIBNPZGCAL-NSHDSACASA-N -1 0 338.341 2.249 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000604176512 469460901 /nfs/dbraw/zinc/46/09/01/469460901.db2.gz UNFSFKOEDIMPTP-SNVBAGLBSA-N -1 0 348.277 2.484 20 5 EEBDRM COC(=O)c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000619879094 469693374 /nfs/dbraw/zinc/69/33/74/469693374.db2.gz IRKVDKUSQIOTLW-UHFFFAOYSA-N -1 0 330.296 2.017 20 5 EEBDRM C[C@H]1CC[C@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000738227536 578004709 /nfs/dbraw/zinc/00/47/09/578004709.db2.gz AZZJJMQYSHQNCL-UMSPYCQHSA-N -1 0 335.360 2.400 20 5 EEBDRM Cc1cc(C(=O)Nc2nnc(CCC(=O)[O-])s2)cc([N+](=O)[O-])c1 ZINC000738339044 578010081 /nfs/dbraw/zinc/01/00/81/578010081.db2.gz QDWFYYIYCRGFGS-UHFFFAOYSA-N -1 0 336.329 2.024 20 5 EEBDRM CN(Cc1nc2ccccc2[nH]1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738006456 576079757 /nfs/dbraw/zinc/07/97/57/576079757.db2.gz SEGRLNIZYGRDLT-UHFFFAOYSA-N -1 0 327.300 2.201 20 5 EEBDRM C[C@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000737707665 576490174 /nfs/dbraw/zinc/49/01/74/576490174.db2.gz SOYRBMUSCKWRTC-LURJTMIESA-N -1 0 336.222 2.042 20 5 EEBDRM Cc1[nH]c(C(=O)NCCc2ccccc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC000738156056 576672639 /nfs/dbraw/zinc/67/26/39/576672639.db2.gz OOACXQKOXWCYIS-UHFFFAOYSA-N -1 0 331.328 2.210 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000773087832 577315125 /nfs/dbraw/zinc/31/51/25/577315125.db2.gz LBTKLCZCXVTAOB-UHFFFAOYSA-N -1 0 329.268 2.412 20 5 EEBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(C)(=O)=O ZINC000777294042 577476156 /nfs/dbraw/zinc/47/61/56/577476156.db2.gz WWXPJICBNROMPW-UHFFFAOYSA-N -1 0 332.403 2.176 20 5 EEBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000777363186 577477231 /nfs/dbraw/zinc/47/72/31/577477231.db2.gz YFPNAVRVXVHRKQ-MRVPVSSYSA-N -1 0 332.403 2.175 20 5 EEBDRM O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1[O-] ZINC000769145285 577571170 /nfs/dbraw/zinc/57/11/70/577571170.db2.gz BYTXYCYNXVWYMW-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM O=C1CCCCN1[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000769339351 577575438 /nfs/dbraw/zinc/57/54/38/577575438.db2.gz VXKSEFOSRGMFKI-AWEZNQCLSA-N -1 0 333.388 2.277 20 5 EEBDRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000762012948 577693304 /nfs/dbraw/zinc/69/33/04/577693304.db2.gz MXVPKKODEWIIDM-JTQLQIEISA-N -1 0 328.390 2.472 20 5 EEBDRM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000753836943 577794850 /nfs/dbraw/zinc/79/48/50/577794850.db2.gz KOFFSNVEKUXIBQ-UHFFFAOYSA-N -1 0 343.255 2.337 20 5 EEBDRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000755910659 577834125 /nfs/dbraw/zinc/83/41/25/577834125.db2.gz POECOLADTKYPND-VIFPVBQESA-N -1 0 332.353 2.365 20 5 EEBDRM O=C([O-])N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000738647039 578022711 /nfs/dbraw/zinc/02/27/11/578022711.db2.gz NSEKOGCPSMLCLE-UHFFFAOYSA-N -1 0 330.138 2.157 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000739369418 578050684 /nfs/dbraw/zinc/05/06/84/578050684.db2.gz RJIKYYVWVNPFIE-ZDUSSCGKSA-N -1 0 336.250 2.429 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000739525925 578056718 /nfs/dbraw/zinc/05/67/18/578056718.db2.gz FHEKPEACYLAIMU-GFCCVEGCSA-N -1 0 348.355 2.077 20 5 EEBDRM O=C([O-])C[C@H]1CSCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000739650483 578062503 /nfs/dbraw/zinc/06/25/03/578062503.db2.gz BDFVPTAICRYHAQ-JTQLQIEISA-N -1 0 349.368 2.108 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2csc(-c3ccoc3)n2)c1=O ZINC000740094412 578080604 /nfs/dbraw/zinc/08/06/04/578080604.db2.gz DBXWWKUKPKUOIQ-UHFFFAOYSA-N -1 0 347.308 2.220 20 5 EEBDRM CCCCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000740528471 578097343 /nfs/dbraw/zinc/09/73/43/578097343.db2.gz OSYXQVAIYHMKKQ-UHFFFAOYSA-N -1 0 328.390 2.119 20 5 EEBDRM CC(C)N1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000736474576 578206609 /nfs/dbraw/zinc/20/66/09/578206609.db2.gz MZJSIAGDHGBWMX-BPJJOFIESA-N -1 0 333.344 2.114 20 5 EEBDRM C[C@@H](O)c1ccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000736686372 578218005 /nfs/dbraw/zinc/21/80/05/578218005.db2.gz RSVGAWCHCNCQQK-SNVBAGLBSA-N -1 0 344.323 2.276 20 5 EEBDRM O=C([O-])[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000821512128 598125406 /nfs/dbraw/zinc/12/54/06/598125406.db2.gz AHMABLQCPKSZSD-HNNXBMFYSA-N -1 0 332.312 2.140 20 5 EEBDRM CCc1[nH]nc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1[N+](=O)[O-] ZINC000830201745 600763817 /nfs/dbraw/zinc/76/38/17/600763817.db2.gz DYJDAKRNXWWRGZ-SECBINFHSA-N -1 0 344.327 2.099 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H]1CCC[C@@H](O)C1 ZINC000833307454 600815832 /nfs/dbraw/zinc/81/58/32/600815832.db2.gz NLEJZYXWVMVCKY-WCBMZHEXSA-N -1 0 339.304 2.164 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000831431142 600946894 /nfs/dbraw/zinc/94/68/94/600946894.db2.gz XAZDDRFSSKCHJT-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM O=C([O-])CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000833206467 601266139 /nfs/dbraw/zinc/26/61/39/601266139.db2.gz UZHNJGSPABNUKF-UHFFFAOYSA-N -1 0 348.402 2.112 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263293067 602083585 /nfs/dbraw/zinc/08/35/85/602083585.db2.gz VPZJIBQKMGCZAX-QGZVFWFLSA-N -1 0 349.387 2.424 20 5 EEBDRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000827324152 602275232 /nfs/dbraw/zinc/27/52/32/602275232.db2.gz ABXUSUWWHOOHMJ-RKDXNWHRSA-N -1 0 349.299 2.360 20 5 EEBDRM Cc1nc2n(c1C)CCN(c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)C2 ZINC000832891974 602316023 /nfs/dbraw/zinc/31/60/23/602316023.db2.gz OBQPWMFZRFNEDC-UHFFFAOYSA-N -1 0 330.344 2.435 20 5 EEBDRM COc1ccc(-c2ccc(CNC3CN(C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000832116388 604420317 /nfs/dbraw/zinc/42/03/17/604420317.db2.gz SVPFTOCKZULZAQ-UHFFFAOYSA-N -1 0 347.327 2.315 20 5 EEBDRM O=C([O-])CCc1csc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000833241165 604741916 /nfs/dbraw/zinc/74/19/16/604741916.db2.gz ZUKPNAPNWWLJDM-UHFFFAOYSA-N -1 0 339.304 2.460 20 5 EEBDRM CC(C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000833455994 605507209 /nfs/dbraw/zinc/50/72/09/605507209.db2.gz IVVIVCAIYYHJSI-UHFFFAOYSA-N -1 0 332.259 2.179 20 5 EEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1F ZINC000120164689 674699904 /nfs/dbraw/zinc/69/99/04/674699904.db2.gz FVTSIOURDIQMIG-UHFFFAOYSA-N -1 0 344.345 2.223 20 5 EEBDRM Cc1ccc(NC(=O)C(=O)[N-]OCc2ccccc2)cc1[N+](=O)[O-] ZINC000122744228 683869635 /nfs/dbraw/zinc/86/96/35/683869635.db2.gz PBBFOHOVMWSSAG-UHFFFAOYSA-N -1 0 329.312 2.090 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](O)c1cccc(F)c1 ZINC000779675892 1210752103 /nfs/dbraw/zinc/75/21/03/1210752103.db2.gz OEJOPQYJGLOBHH-VFZGTOFNSA-N -1 0 334.303 2.291 20 5 EEBDRM O=C(CCC1CC1)N1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001057298044 1243150896 /nfs/dbraw/zinc/15/08/96/1243150896.db2.gz WDDAFKSPSLCLTM-UHFFFAOYSA-N -1 0 334.376 2.289 20 5 EEBDRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000850731330 1277318820 /nfs/dbraw/zinc/31/88/20/1277318820.db2.gz QDBFKVMPAKUISI-CYBMUJFWSA-N -1 0 332.353 2.318 20 5 EEBDRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000005579193 1289563689 /nfs/dbraw/zinc/56/36/89/1289563689.db2.gz YLZHQYVFRZLWBH-UHFFFAOYSA-N -1 0 342.764 2.456 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000853989725 1292572092 /nfs/dbraw/zinc/57/20/92/1292572092.db2.gz RAGPQHWOZRTLIA-KCJUWKMLSA-N -1 0 346.309 2.192 20 5 EEBDRM COc1cc(Cl)cnc1-c1noc(-c2cnc([N+](=O)[O-])c([O-])c2)n1 ZINC001213599200 1296104219 /nfs/dbraw/zinc/10/42/19/1296104219.db2.gz YCGKHWGDCCBMLM-UHFFFAOYSA-N -1 0 349.690 2.469 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1-c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001216682368 1297253519 /nfs/dbraw/zinc/25/35/19/1297253519.db2.gz MPMROWUEDFNVCQ-UHFFFAOYSA-N -1 0 347.218 2.460 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(OC[C@H]4C[C@H](O)C4)c3nc2cc1C ZINC001218426887 1297659407 /nfs/dbraw/zinc/65/94/07/1297659407.db2.gz LHAAQLMAHQIEFP-XYPYZODXSA-N -1 0 326.356 2.045 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(OC[C@H]4C[C@@H](O)C4)c3nc2cc1C ZINC001218433434 1297662306 /nfs/dbraw/zinc/66/23/06/1297662306.db2.gz LHAAQLMAHQIEFP-PHIMTYICSA-N -1 0 326.356 2.045 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](C)c2cccs2)c1[N+](=O)[O-] ZINC001226653474 1301495810 /nfs/dbraw/zinc/49/58/10/1301495810.db2.gz VOMCLPURTMGRFM-ZCFIWIBFSA-N -1 0 325.302 2.079 20 5 EEBDRM C[C@@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)C(=O)OC(C)(C)C ZINC001227096296 1301685593 /nfs/dbraw/zinc/68/55/93/1301685593.db2.gz OAUKJCTWYPTHHD-MRVPVSSYSA-N -1 0 335.316 2.353 20 5 EEBDRM CCOC(=O)N1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227744405 1301950451 /nfs/dbraw/zinc/95/04/51/1301950451.db2.gz GUPLDWKIUNOUIC-LLVKDONJSA-N -1 0 334.332 2.471 20 5 EEBDRM O=c1[n-]cnc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)c1Cl ZINC001230015805 1303019485 /nfs/dbraw/zinc/01/94/85/1303019485.db2.gz CMSUYDPPTTZRFQ-VIFPVBQESA-N -1 0 336.735 2.402 20 5 EEBDRM CCOC(=O)CC1CC(Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231223619 1303688538 /nfs/dbraw/zinc/68/85/38/1303688538.db2.gz IGSKTZWARCADAZ-UHFFFAOYSA-N -1 0 340.288 2.319 20 5 EEBDRM CCCCOC(=O)[C@H](C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231225360 1303690719 /nfs/dbraw/zinc/69/07/19/1303690719.db2.gz XTSMVBLNGVXKBH-QMMMGPOBSA-N -1 0 328.277 2.319 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000829834474 1314518181 /nfs/dbraw/zinc/51/81/81/1314518181.db2.gz OTHKQJUFNIMHTL-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM CC(C)[C@H](CO)O[N-]C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000836899898 1315040603 /nfs/dbraw/zinc/04/06/03/1315040603.db2.gz FDHRUQPFMMVWIQ-MFKMUULPSA-N -1 0 328.390 2.140 20 5 EEBDRM CCCC1(C(=O)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000842404679 1315698374 /nfs/dbraw/zinc/69/83/74/1315698374.db2.gz WPJBDSSPQVFJQO-UHFFFAOYSA-N -1 0 340.401 2.430 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(N)c(Cl)c1 ZINC001249545447 1317113855 /nfs/dbraw/zinc/11/38/55/1317113855.db2.gz KNXSDIBTTOXIMI-UHFFFAOYSA-N -1 0 342.764 2.335 20 5 EEBDRM Cn1c2ccc(S(C)(=O)=O)cc2nc1-c1cc([O-])ccc1[N+](=O)[O-] ZINC001250853985 1317347287 /nfs/dbraw/zinc/34/72/87/1317347287.db2.gz KNMTYWGRYBMDOT-UHFFFAOYSA-N -1 0 347.352 2.258 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001601213759 1350232757 /nfs/dbraw/zinc/23/27/57/1350232757.db2.gz LIAPFHLJTUYROF-UHFFFAOYSA-N -1 0 345.286 2.170 20 5 EEBDRM O=C([O-])c1cnc(NC[C@H]2OCCc3ccccc32)c([N+](=O)[O-])c1 ZINC001602532389 1350540460 /nfs/dbraw/zinc/54/04/60/1350540460.db2.gz NFHAKHNVUKPMRR-CQSZACIVSA-N -1 0 329.312 2.414 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001608594495 1351722202 /nfs/dbraw/zinc/72/22/02/1351722202.db2.gz HBZRJNROLLILSM-JZYAIQKZSA-N -1 0 344.367 2.410 20 5 EEBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H]1CCCc2ccccc2C1 ZINC001309915720 1331647792 /nfs/dbraw/zinc/64/77/92/1331647792.db2.gz IECWUTHRSUGUAP-AWEZNQCLSA-N -1 0 347.396 2.216 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC001608673698 1351739291 /nfs/dbraw/zinc/73/92/91/1351739291.db2.gz HPJJDWFVDQOCRK-CYBMUJFWSA-N -1 0 346.343 2.234 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001608696652 1351744046 /nfs/dbraw/zinc/74/40/46/1351744046.db2.gz NKMGKVLOBNADHB-SNVBAGLBSA-N -1 0 341.751 2.126 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC001608838369 1351775716 /nfs/dbraw/zinc/77/57/16/1351775716.db2.gz CIMQERCWZBONGR-UHFFFAOYSA-N -1 0 326.648 2.291 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC[S@](=O)CC(F)(F)F)c1 ZINC001608915108 1351793318 /nfs/dbraw/zinc/79/33/18/1351793318.db2.gz FBWZKENFRKAGSR-QFIPXVFZSA-N -1 0 340.279 2.016 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2Cc3nc(C4CC4)[nH]c(=O)c3C2)c1 ZINC001608915379 1351793538 /nfs/dbraw/zinc/79/35/38/1351793538.db2.gz SLZAJSHREBHDJR-UHFFFAOYSA-N -1 0 342.311 2.186 20 5 EEBDRM CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001320086757 1332821663 /nfs/dbraw/zinc/82/16/63/1332821663.db2.gz PKEOECXSTDOGSO-SNVBAGLBSA-N -1 0 326.374 2.226 20 5 EEBDRM O=C([O-])c1coc(/C=C\C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001608987121 1351808716 /nfs/dbraw/zinc/80/87/16/1351808716.db2.gz DQTHWPJHRPLFRP-PLNGDYQASA-N -1 0 328.280 2.489 20 5 EEBDRM O=C([O-])c1nn(CC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001609003799 1351812380 /nfs/dbraw/zinc/81/23/80/1351812380.db2.gz CQIJTJNUOZGRSP-JGVFFNPUSA-N -1 0 349.265 2.427 20 5 EEBDRM O=C([O-])c1nn(CC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001609003800 1351812470 /nfs/dbraw/zinc/81/24/70/1351812470.db2.gz CQIJTJNUOZGRSP-SFYZADRCSA-N -1 0 349.265 2.427 20 5 EEBDRM O=C([O-])c1sc(NC(=O)[C@@H]2CC2[N+](=O)[O-])nc1C1CCCC1 ZINC001609007133 1351812783 /nfs/dbraw/zinc/81/27/83/1351812783.db2.gz BVYHNSSASVPAPU-HTQZYQBOSA-N -1 0 325.346 2.103 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H](OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC001609016036 1351814995 /nfs/dbraw/zinc/81/49/95/1351814995.db2.gz SPKHLGKXCGBLFY-RKDXNWHRSA-N -1 0 337.284 2.124 20 5 EEBDRM CCc1cnc(CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)o1 ZINC001610070518 1352155126 /nfs/dbraw/zinc/15/51/26/1352155126.db2.gz BRTRUSSCMRJSNX-UHFFFAOYSA-N -1 0 348.315 2.474 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610480189 1352229875 /nfs/dbraw/zinc/22/98/75/1352229875.db2.gz TVAJZMXGMBHZGD-WCQYABFASA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1noc(C)c1CCC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610577056 1352248290 /nfs/dbraw/zinc/24/82/90/1352248290.db2.gz NHMCYUSMYWCZPJ-UHFFFAOYSA-N -1 0 334.284 2.436 20 5 EEBDRM Cn1c(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)ccc1[N+](=O)[O-] ZINC001610597488 1352251618 /nfs/dbraw/zinc/25/16/18/1352251618.db2.gz ZPCMPMDVLUEOMP-UHFFFAOYSA-N -1 0 338.345 2.004 20 5 EEBDRM Cn1ncc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1C1CC1 ZINC001610614761 1352254323 /nfs/dbraw/zinc/25/43/23/1352254323.db2.gz ZJRPCSJWADVGAV-UHFFFAOYSA-N -1 0 331.284 2.123 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)nc1C1CC1 ZINC001610697610 1352261180 /nfs/dbraw/zinc/26/11/80/1352261180.db2.gz TVKLYJMBUWSULG-UHFFFAOYSA-N -1 0 331.284 2.088 20 5 EEBDRM O=C([O-])C1(O)CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC001610730192 1352266051 /nfs/dbraw/zinc/26/60/51/1352266051.db2.gz UULOJGQVOZFSIK-UHFFFAOYSA-N -1 0 335.143 2.318 20 5 EEBDRM O=C([O-])CCC1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC001610766908 1352271228 /nfs/dbraw/zinc/27/12/28/1352271228.db2.gz VAFQPLJZWJMFMV-UHFFFAOYSA-N -1 0 349.343 2.037 20 5 EEBDRM O=C([O-])c1ccc(OCc2cc(=O)[nH]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC001610838385 1352283096 /nfs/dbraw/zinc/28/30/96/1352283096.db2.gz XIABTVAIMSWFJU-UHFFFAOYSA-N -1 0 331.284 2.245 20 5 EEBDRM Cc1c(NC(=O)NCC[C@@H](O)C(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043180 1349960963 /nfs/dbraw/zinc/96/09/63/1349960963.db2.gz PQXJOWAGMXSJPD-CYBMUJFWSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1cc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(C)n1 ZINC001600201989 1349991834 /nfs/dbraw/zinc/99/18/34/1349991834.db2.gz URNXCAGOMNULFP-UHFFFAOYSA-N -1 0 329.312 2.235 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)n1 ZINC001600304083 1350015587 /nfs/dbraw/zinc/01/55/87/1350015587.db2.gz OQIWRUXIDKHHLO-UHFFFAOYSA-N -1 0 348.340 2.262 20 5 EEBDRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001600344685 1350025158 /nfs/dbraw/zinc/02/51/58/1350025158.db2.gz PUFKZSLBJDOJJE-UHFFFAOYSA-N -1 0 330.296 2.488 20 5 EEBDRM Cc1ccc2oc(C(=O)Cn3cc([N+](=O)[O-])c(C(=O)[O-])n3)cc2c1 ZINC001600503569 1350068282 /nfs/dbraw/zinc/06/82/82/1350068282.db2.gz VUHWFGIRUWEXMI-UHFFFAOYSA-N -1 0 329.268 2.427 20 5 EEBDRM Cc1cnc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC001600619562 1350099379 /nfs/dbraw/zinc/09/93/79/1350099379.db2.gz YJOCFPGQCNFGNP-UHFFFAOYSA-N -1 0 329.312 2.235 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC001600907397 1350165008 /nfs/dbraw/zinc/16/50/08/1350165008.db2.gz QPAMGLDLUBEGQQ-UHFFFAOYSA-N -1 0 340.238 2.267 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC001601263052 1350244727 /nfs/dbraw/zinc/24/47/27/1350244727.db2.gz ZAPQWCQUOWVRLI-UHFFFAOYSA-N -1 0 346.295 2.165 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC001601334842 1350260434 /nfs/dbraw/zinc/26/04/34/1350260434.db2.gz OOSZGNBQIHPYIU-UHFFFAOYSA-N -1 0 335.293 2.394 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccnc1 ZINC001601402782 1350275656 /nfs/dbraw/zinc/27/56/56/1350275656.db2.gz WTDFSAISHOKXHA-AWEZNQCLSA-N -1 0 340.295 2.027 20 5 EEBDRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001601408191 1350277360 /nfs/dbraw/zinc/27/73/60/1350277360.db2.gz CHZDZDRVLKZVEG-SCZZXKLOSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC001601578955 1350311697 /nfs/dbraw/zinc/31/16/97/1350311697.db2.gz RSYSXFKOTBZVIN-BFLSOPEQSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])C12CC(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)(C1)C2 ZINC001601727692 1350349124 /nfs/dbraw/zinc/34/91/24/1350349124.db2.gz GXQNTJSSWGLZIG-UHFFFAOYSA-N -1 0 332.356 2.289 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001601802641 1350368345 /nfs/dbraw/zinc/36/83/45/1350368345.db2.gz ZXUHZOWIWNIHOH-NWDGAFQWSA-N -1 0 348.355 2.075 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001601855368 1350381158 /nfs/dbraw/zinc/38/11/58/1350381158.db2.gz DHTACKGGSYHRGH-VIFPVBQESA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@H]2CCc3cncn3C2)c([N+](=O)[O-])c1 ZINC001601883917 1350390248 /nfs/dbraw/zinc/39/02/48/1350390248.db2.gz UYQXSXLETOPVGL-QSLRECBCSA-N -1 0 328.328 2.316 20 5 EEBDRM O=C([O-])CSCCC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001602098783 1350437469 /nfs/dbraw/zinc/43/74/69/1350437469.db2.gz CAZCOMGTSYUOAH-UHFFFAOYSA-N -1 0 335.341 2.289 20 5 EEBDRM O=C([O-])Cc1ccccc1COC(=O)COc1ccccc1[N+](=O)[O-] ZINC001602147332 1350451206 /nfs/dbraw/zinc/45/12/06/1350451206.db2.gz DTZUOLSFAZRQLU-UHFFFAOYSA-N -1 0 345.307 2.344 20 5 EEBDRM O=C([O-])[C@]12CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@H]1COCC2 ZINC001602208416 1350465957 /nfs/dbraw/zinc/46/59/57/1350465957.db2.gz RYKHYCCVXQFAAV-APPDUMDISA-N -1 0 343.339 2.071 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@@H]21 ZINC001602207352 1350466208 /nfs/dbraw/zinc/46/62/08/1350466208.db2.gz MQCYQCYVKFDNNG-JZYVYDRUSA-N -1 0 344.245 2.016 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2ccc3ncccc3c2)c1 ZINC001602299890 1350488266 /nfs/dbraw/zinc/48/82/66/1350488266.db2.gz ULTPOYOAWRWNQO-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CCOc2ccccc2Cl)c1 ZINC001602299943 1350488285 /nfs/dbraw/zinc/48/82/85/1350488285.db2.gz XDHMFOGFDSJBBR-UHFFFAOYSA-N -1 0 338.703 2.187 20 5 EEBDRM O=C([O-])c1ccc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC001602328978 1350495244 /nfs/dbraw/zinc/49/52/44/1350495244.db2.gz SFJUHJPJRHYWOI-LBPRGKRZSA-N -1 0 345.311 2.057 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Cn2nnc(-c3cccc(F)c3)n2)c1 ZINC001602403776 1350511441 /nfs/dbraw/zinc/51/14/41/1350511441.db2.gz RXGOTTSOONIHHU-UHFFFAOYSA-N -1 0 343.274 2.134 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC001602415379 1350514245 /nfs/dbraw/zinc/51/42/45/1350514245.db2.gz GNRXGTOOOYOJPB-UHFFFAOYSA-N -1 0 340.335 2.420 20 5 EEBDRM O=C([O-])c1ccoc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001602485391 1350530065 /nfs/dbraw/zinc/53/00/65/1350530065.db2.gz KBZSPEIVMAQFHH-UHFFFAOYSA-N -1 0 349.251 2.110 20 5 EEBDRM O=C([O-])c1coc(/C=C\C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001602554000 1350545051 /nfs/dbraw/zinc/54/50/51/1350545051.db2.gz RZPGGLLCLXLDRW-ARJAWSKDSA-N -1 0 328.280 2.442 20 5 EEBDRM CC(C)(CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1 ZINC001603638997 1350732943 /nfs/dbraw/zinc/73/29/43/1350732943.db2.gz QOYSJAZTSQQMHD-UHFFFAOYSA-N -1 0 343.339 2.396 20 5 EEBDRM C[C@@H](CC(C)(C)C)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001604123260 1350865343 /nfs/dbraw/zinc/86/53/43/1350865343.db2.gz FPRKBWHKPZHEQL-VIFPVBQESA-N -1 0 344.389 2.396 20 5 EEBDRM C[C@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1cccc([N+](=O)[O-])c1 ZINC001604276767 1350907567 /nfs/dbraw/zinc/90/75/67/1350907567.db2.gz DRJBUENLUXECSR-JTQLQIEISA-N -1 0 329.312 2.108 20 5 EEBDRM CC1(C(=O)[O-])CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001604502312 1350950290 /nfs/dbraw/zinc/95/02/90/1350950290.db2.gz BCGMLSWKQXLRAE-UHFFFAOYSA-N -1 0 332.234 2.160 20 5 EEBDRM CC1(C)CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC001604545343 1350958309 /nfs/dbraw/zinc/95/83/09/1350958309.db2.gz ARQRRKNFERGKDM-UHFFFAOYSA-N -1 0 335.360 2.034 20 5 EEBDRM C[C@@H]1CCC[C@H](C)N1C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604716454 1350990494 /nfs/dbraw/zinc/99/04/94/1350990494.db2.gz IFKCEKBFLNPUBA-PHIMTYICSA-N -1 0 336.344 2.461 20 5 EEBDRM C[C@H]1CCCC[C@H]1NC(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604726735 1350992181 /nfs/dbraw/zinc/99/21/81/1350992181.db2.gz OAAIYKBUVUVEPZ-CMPLNLGQSA-N -1 0 336.344 2.367 20 5 EEBDRM C[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC001604812605 1351012934 /nfs/dbraw/zinc/01/29/34/1351012934.db2.gz YXHWCASEVWMNIU-PRHODGIISA-N -1 0 348.277 2.378 20 5 EEBDRM CCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])c(OC)c2)C(C(=O)[O-])=C1C ZINC001605465686 1351164156 /nfs/dbraw/zinc/16/41/56/1351164156.db2.gz DUCXIAWGDDLNJW-ZDUSSCGKSA-N -1 0 335.316 2.048 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(OCc2cncc(C(=O)[O-])c2)c1 ZINC001606605402 1351330486 /nfs/dbraw/zinc/33/04/86/1351330486.db2.gz GHRSZJVVUSWGCF-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC001607222169 1351452260 /nfs/dbraw/zinc/45/22/60/1351452260.db2.gz GCYLFBYMZXOVPQ-CYBMUJFWSA-N -1 0 338.360 2.163 20 5 EEBDRM Cc1cc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(=O)[O-])ccc1F ZINC001607614613 1351525771 /nfs/dbraw/zinc/52/57/71/1351525771.db2.gz JTZSSOFNIWTGNG-AWEZNQCLSA-N -1 0 347.302 2.180 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001607816289 1351564386 /nfs/dbraw/zinc/56/43/86/1351564386.db2.gz PAGYMFLEASQFSU-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1n[nH]c(C)c1[C@@H](C)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607935104 1351588901 /nfs/dbraw/zinc/58/89/01/1351588901.db2.gz DJZQUOCOMRZEOF-MRVPVSSYSA-N -1 0 347.327 2.480 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001608273399 1351660724 /nfs/dbraw/zinc/66/07/24/1351660724.db2.gz KGSQDEYNNMPNGM-XUJVJEKNSA-N -1 0 347.371 2.283 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC001608363958 1351679441 /nfs/dbraw/zinc/67/94/41/1351679441.db2.gz PJWCFDSKFRSXOF-AWEZNQCLSA-N -1 0 349.730 2.128 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)Cc2ccccc2C)c1 ZINC000798898727 1371619959 /nfs/dbraw/zinc/61/99/59/1371619959.db2.gz WUOVXDYGZFCMJC-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000918727097 769348872 /nfs/dbraw/zinc/34/88/72/769348872.db2.gz RHQSPAIGCHKBGJ-UHFFFAOYSA-N -1 0 334.309 2.066 20 5 EEBDRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1 ZINC000112160645 775449202 /nfs/dbraw/zinc/44/92/02/775449202.db2.gz IMYHDZFKVHDPEZ-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM CCOC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1O ZINC000819365434 785535044 /nfs/dbraw/zinc/53/50/44/785535044.db2.gz JVDBIMIYNIFGBV-UHFFFAOYSA-N -1 0 346.295 2.435 20 5 EEBDRM CCc1ccc([C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000804152608 785536892 /nfs/dbraw/zinc/53/68/92/785536892.db2.gz KKYMATGYNCRUAP-MRXNPFEDSA-N -1 0 330.340 2.326 20 5 EEBDRM C[C@H](OC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824723653 788287673 /nfs/dbraw/zinc/28/76/73/788287673.db2.gz TWBKMEHUFGQGDR-QMMMGPOBSA-N -1 0 328.288 2.021 20 5 EEBDRM Cc1cc([C@](C)(O)CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c(C)o1 ZINC000844209953 788927752 /nfs/dbraw/zinc/92/77/52/788927752.db2.gz MEASKCLNUPRRTD-OAHLLOKOSA-N -1 0 335.316 2.217 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC(O)(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000844215387 788934750 /nfs/dbraw/zinc/93/47/50/788934750.db2.gz PZGIUFWTSFYYAM-UHFFFAOYSA-N -1 0 343.339 2.176 20 5 EEBDRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC001174477957 797778635 /nfs/dbraw/zinc/77/86/35/797778635.db2.gz FNVYHVQDLCWGDY-UHFFFAOYSA-N -1 0 335.341 2.163 20 5 EEBDRM COCCOc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccn1 ZINC001176678341 798525397 /nfs/dbraw/zinc/52/53/97/798525397.db2.gz NYPJKXLCDHGTHE-UHFFFAOYSA-N -1 0 333.300 2.457 20 5 EEBDRM COc1cc2c(cnn2-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1N ZINC001176679813 798525858 /nfs/dbraw/zinc/52/58/58/798525858.db2.gz ONJMXGAJEHJESK-UHFFFAOYSA-N -1 0 328.284 2.223 20 5 EEBDRM CCOC(=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000791845626 809457282 /nfs/dbraw/zinc/45/72/82/809457282.db2.gz UWRMCZNRZSKBGD-UHFFFAOYSA-N -1 0 336.344 2.154 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000829833506 811000970 /nfs/dbraw/zinc/00/09/70/811000970.db2.gz BNLBUVPEQWELQK-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])c1ccc(CS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001595233481 949371536 /nfs/dbraw/zinc/37/15/36/949371536.db2.gz WGHHVRZIDMZLDO-UHFFFAOYSA-N -1 0 335.337 2.408 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001595161328 952198283 /nfs/dbraw/zinc/19/82/83/952198283.db2.gz ADSMVDUMVPZWGA-JTQLQIEISA-N -1 0 344.270 2.276 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC001595187135 952272751 /nfs/dbraw/zinc/27/27/51/952272751.db2.gz REDSUCNKDIIQHY-XUWVNRHRSA-N -1 0 344.367 2.268 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001589310289 953783722 /nfs/dbraw/zinc/78/37/22/953783722.db2.gz IIKRFTVSZDLVTN-GHMZBOCLSA-N -1 0 345.355 2.136 20 5 EEBDRM C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001589335536 953991966 /nfs/dbraw/zinc/99/19/66/953991966.db2.gz GOEOTLWXTSMDMT-NWDGAFQWSA-N -1 0 334.372 2.442 20 5 EEBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@@H]1C(=O)[O-] ZINC001589359358 954147131 /nfs/dbraw/zinc/14/71/31/954147131.db2.gz GLGFLBRFKLSWFA-HZMBPMFUSA-N -1 0 347.371 2.034 20 5 EEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)CC2 ZINC001594331074 958219214 /nfs/dbraw/zinc/21/92/14/958219214.db2.gz HTPILMKDDMXQAY-OLZOCXBDSA-N -1 0 348.355 2.062 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001594331665 958232288 /nfs/dbraw/zinc/23/22/88/958232288.db2.gz VRUGEFIVGIYAKW-AWEZNQCLSA-N -1 0 344.327 2.116 20 5 EEBDRM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588561148 959097944 /nfs/dbraw/zinc/09/79/44/959097944.db2.gz PVXUXGUQQXTTQY-CHWSQXEVSA-N -1 0 349.387 2.499 20 5 EEBDRM C[C@@H](C(=O)[O-])c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC001588604690 959470641 /nfs/dbraw/zinc/47/06/41/959470641.db2.gz WZIKKEIPDJKRND-RDDDGLTNSA-N -1 0 332.272 2.032 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)[O-] ZINC001573937035 961609176 /nfs/dbraw/zinc/60/91/76/961609176.db2.gz QQCPIMSWQPDVSU-SDBXPKJASA-N -1 0 341.339 2.029 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001574142615 962592327 /nfs/dbraw/zinc/59/23/27/962592327.db2.gz YSBHBUNIWPYCOE-MRXNPFEDSA-N -1 0 331.328 2.071 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001603575628 973724177 /nfs/dbraw/zinc/72/41/77/973724177.db2.gz YSVFVLSVVBJITB-GFCCVEGCSA-N -1 0 346.343 2.083 20 5 EEBDRM Nc1c(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc2ccccc2c1[N+](=O)[O-] ZINC001605653368 974027780 /nfs/dbraw/zinc/02/77/80/974027780.db2.gz CXPYGVBJHVOXNH-CYBMUJFWSA-N -1 0 343.339 2.410 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(C(=O)[O-])nc1 ZINC001604834623 974078502 /nfs/dbraw/zinc/07/85/02/974078502.db2.gz ZUWDAOUKARODNM-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM C[C@@H](CC(N)=O)c1ccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001592453442 978154380 /nfs/dbraw/zinc/15/43/80/978154380.db2.gz VDOLSIBUEISSGL-VIFPVBQESA-N -1 0 344.327 2.411 20 5 EEBDRM C[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001592728962 979239699 /nfs/dbraw/zinc/23/96/99/979239699.db2.gz JDMZBKIHMHJHEJ-QMMMGPOBSA-N -1 0 340.336 2.013 20 5 EEBDRM C[C@](NC(=O)/C=C\c1cccnc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593010353 980242096 /nfs/dbraw/zinc/24/20/96/980242096.db2.gz FRTKLOQFIOJNGZ-ZPUOCTKUSA-N -1 0 341.323 2.119 20 5 EEBDRM CC[C@]1(C)CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCO1 ZINC001595370247 980841134 /nfs/dbraw/zinc/84/11/34/980841134.db2.gz HDRIKDWSRLVQMU-MRXNPFEDSA-N -1 0 338.360 2.059 20 5 EEBDRM CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)[O-] ZINC001596137141 983485426 /nfs/dbraw/zinc/48/54/26/983485426.db2.gz GCCXISFQMZXTTP-UHFFFAOYSA-N -1 0 337.376 2.499 20 5 EEBDRM CCOC(=O)c1ccnc(N2CCCC[C@H]2CC(=O)[O-])c1[N+](=O)[O-] ZINC001596733058 985015271 /nfs/dbraw/zinc/01/52/71/985015271.db2.gz SZDCAZGNZWYATN-JTQLQIEISA-N -1 0 337.332 2.000 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001597142827 986892496 /nfs/dbraw/zinc/89/24/96/986892496.db2.gz MPWTYOXWTBNULO-MNOVXSKESA-N -1 0 337.332 2.368 20 5 EEBDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001589531945 987209063 /nfs/dbraw/zinc/20/90/63/987209063.db2.gz LPFMZLCBYBWLOF-MRVPVSSYSA-N -1 0 330.300 2.012 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001597249162 987231949 /nfs/dbraw/zinc/23/19/49/987231949.db2.gz HHGLIRGXRFGYKT-BADDSXTQSA-N -1 0 341.389 2.180 20 5 EEBDRM CCc1[nH]c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC001597367795 987544617 /nfs/dbraw/zinc/54/46/17/987544617.db2.gz APGAZAHLCUULDS-UHFFFAOYSA-N -1 0 345.355 2.464 20 5 EEBDRM CS[C@H](C)CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599785854 987919290 /nfs/dbraw/zinc/91/92/90/987919290.db2.gz XDLKOHFWTZSVJX-SSDOTTSWSA-N -1 0 327.362 2.474 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1CC(=O)[O-] ZINC001599862730 989196087 /nfs/dbraw/zinc/19/60/87/989196087.db2.gz WQTLYUQFKNCZSH-RKDXNWHRSA-N -1 0 326.736 2.431 20 5 EEBDRM CN(C)c1cc(F)c(C(=O)Nc2cccc(C(=O)[O-])n2)cc1[N+](=O)[O-] ZINC001598306035 991262737 /nfs/dbraw/zinc/26/27/37/991262737.db2.gz PZTVQRJLPLQHFX-UHFFFAOYSA-N -1 0 348.290 2.145 20 5 EEBDRM COC(=O)CC1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCCC1 ZINC001598842720 996539104 /nfs/dbraw/zinc/53/91/04/996539104.db2.gz REAWFENIKKTTJF-UHFFFAOYSA-N -1 0 337.332 2.223 20 5 EEBDRM COC(=O)CCSCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001598854003 996625093 /nfs/dbraw/zinc/62/50/93/996625093.db2.gz WUTUBWAIZFEWSC-UHFFFAOYSA-N -1 0 342.373 2.310 20 5 EEBDRM COC(=O)[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1C ZINC001598899278 997143679 /nfs/dbraw/zinc/14/36/79/997143679.db2.gz LJWCMZKBFUNGJN-GMSGAONNSA-N -1 0 342.735 2.192 20 5 EEBDRM COC(=O)c1c(Cl)c(N2CC[C@@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001598916436 997476316 /nfs/dbraw/zinc/47/63/16/997476316.db2.gz SFAGQNSWXAREMK-CQSZACIVSA-N -1 0 342.735 2.336 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2ccc(C(=O)[O-])o2)c(C)c([N+](=O)[O-])c1 ZINC001598948093 998094427 /nfs/dbraw/zinc/09/44/27/998094427.db2.gz UCCWIRVHYYYNKU-UHFFFAOYSA-N -1 0 348.267 2.233 20 5 EEBDRM COc1cc(C(=O)[O-])cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1O ZINC001599358275 998216809 /nfs/dbraw/zinc/21/68/09/998216809.db2.gz AWPBFLJACIKMNZ-UHFFFAOYSA-N -1 0 346.295 2.188 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001598955761 998237995 /nfs/dbraw/zinc/23/79/95/998237995.db2.gz PQRVPBYEMYHBLE-GHMZBOCLSA-N -1 0 336.344 2.237 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(C(=O)[O-])c(C)n2C)c1 ZINC001598988002 998711578 /nfs/dbraw/zinc/71/15/78/998711578.db2.gz MOJFUNCZVFNTRS-UHFFFAOYSA-N -1 0 347.327 2.339 20 5 EEBDRM CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119144022 255763224 /nfs/dbraw/zinc/76/32/24/255763224.db2.gz OLBSXEXLRQSSMN-BAGVQZLWSA-N -1 0 340.401 2.110 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)CCCC(=O)[O-])c1C ZINC000275005447 201275280 /nfs/dbraw/zinc/27/52/80/201275280.db2.gz OUGHTTOVLQWIQW-SNVBAGLBSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191435336 239111217 /nfs/dbraw/zinc/11/12/17/239111217.db2.gz LEYFOWYZTJETOU-SNVBAGLBSA-N -1 0 346.343 2.002 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2CC2)nn1 ZINC000446959667 242233000 /nfs/dbraw/zinc/23/30/00/242233000.db2.gz VLACCWKCIVTXIT-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000236732225 242336691 /nfs/dbraw/zinc/33/66/91/242336691.db2.gz SVWWXEXNLCZDTE-LBPRGKRZSA-N -1 0 349.387 2.424 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000071914675 203149995 /nfs/dbraw/zinc/14/99/95/203149995.db2.gz JQRNFTVTAQTNAW-VIFPVBQESA-N -1 0 334.781 2.477 20 5 EEBDRM C[C@@H](CN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262527846 245018722 /nfs/dbraw/zinc/01/87/22/245018722.db2.gz OBECXIHMAVBSCE-UWVGGRQHSA-N -1 0 326.374 2.255 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[C@@H]1C(=O)[O-] ZINC000263006062 245295203 /nfs/dbraw/zinc/29/52/03/245295203.db2.gz PGZBXSJROTXEAY-KOLCDFICSA-N -1 0 331.328 2.259 20 5 EEBDRM C[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](C(=O)[O-])C1 ZINC000263046024 245308816 /nfs/dbraw/zinc/30/88/16/245308816.db2.gz PPJINBLCIGOKKH-XHDPSFHLSA-N -1 0 345.355 2.261 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ncn(C)c2Cl)ccc1[N+](=O)[O-] ZINC000043570218 204285032 /nfs/dbraw/zinc/28/50/32/204285032.db2.gz HXOZDERWQBGENM-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000493464213 246680880 /nfs/dbraw/zinc/68/08/80/246680880.db2.gz WHWVKDIBVNXNLH-SREVYHEPSA-N -1 0 330.337 2.141 20 5 EEBDRM Cc1cc([C@](C)(O)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)o1 ZINC000164828958 206506096 /nfs/dbraw/zinc/50/60/96/206506096.db2.gz YBYCJOZBDQMRHK-MRXNPFEDSA-N -1 0 334.328 2.148 20 5 EEBDRM Cc1nc2ccccc2n1CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179533673 255924795 /nfs/dbraw/zinc/92/47/95/255924795.db2.gz JNXGONFDCRTDBT-UHFFFAOYSA-N -1 0 340.339 2.389 20 5 EEBDRM O=C(CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000356571732 141019217 /nfs/dbraw/zinc/01/92/17/141019217.db2.gz DMCQRIBAVLNRIT-UHFFFAOYSA-N -1 0 329.312 2.059 20 5 EEBDRM Cn1cc(-c2csc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n2)cn1 ZINC000119055963 292240256 /nfs/dbraw/zinc/24/02/56/292240256.db2.gz AFMWRJCSNKYPSM-UHFFFAOYSA-N -1 0 345.340 2.410 20 5 EEBDRM CCO[C@H]1C[C@](NC(=O)c2ccc([N+](=O)[O-])s2)(C(=O)[O-])C1(C)C ZINC000262839173 152325304 /nfs/dbraw/zinc/32/53/04/152325304.db2.gz TZOQXADFBIAZOT-XPTSAGLGSA-N -1 0 342.373 2.045 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2c(C)cccc2F)c([N+](=O)[O-])n1 ZINC000359423003 153356954 /nfs/dbraw/zinc/35/69/54/153356954.db2.gz ZTXCBNXOACEHMX-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc3ccccn32)cc1C ZINC000105565377 159302318 /nfs/dbraw/zinc/30/23/18/159302318.db2.gz YNHRRHIUCDIJAP-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)cc1 ZINC000110095588 159357323 /nfs/dbraw/zinc/35/73/23/159357323.db2.gz VPMZBCRCTJZEHL-UHFFFAOYSA-N -1 0 345.340 2.181 20 5 EEBDRM O=C(NCc1nc(-c2cccs2)no1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000133860770 292422269 /nfs/dbraw/zinc/42/22/69/292422269.db2.gz YDNNNOCLIFJCMU-UHFFFAOYSA-N -1 0 346.324 2.342 20 5 EEBDRM O=C([O-])c1cccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000238127945 160227829 /nfs/dbraw/zinc/22/78/29/160227829.db2.gz ZFSUOSONPFNFOM-UHFFFAOYSA-N -1 0 329.312 2.135 20 5 EEBDRM COCCN(Cc1cncs1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000344757977 161243359 /nfs/dbraw/zinc/24/33/59/161243359.db2.gz YFFIAZHXKXUUJF-UHFFFAOYSA-N -1 0 337.357 2.046 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCOc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000345822768 161335112 /nfs/dbraw/zinc/33/51/12/161335112.db2.gz LRYJPYHDWGBUGD-UHFFFAOYSA-N -1 0 348.286 2.241 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2csc(-c3ccccn3)n2)[nH]1 ZINC000352021495 162031283 /nfs/dbraw/zinc/03/12/83/162031283.db2.gz PUGRSOVRAUBYKX-PLNGDYQASA-N -1 0 343.324 2.485 20 5 EEBDRM COc1ccc(COCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356785199 163541812 /nfs/dbraw/zinc/54/18/12/163541812.db2.gz PUKLKHXTFMKDRH-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000359978746 164207929 /nfs/dbraw/zinc/20/79/29/164207929.db2.gz TXUZTWLAJZWIGU-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM Cc1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2Br)s[n-]1 ZINC000362132603 164579574 /nfs/dbraw/zinc/57/95/74/164579574.db2.gz CACRVRCKVCLLID-UHFFFAOYSA-N -1 0 343.162 2.191 20 5 EEBDRM CCOC(=O)C[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)C ZINC000274903039 269071901 /nfs/dbraw/zinc/07/19/01/269071901.db2.gz HPZHIGLHQBCNBW-INIZCTEOSA-N -1 0 338.360 2.398 20 5 EEBDRM Cc1csc([C@@H]2COCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000275409843 269114021 /nfs/dbraw/zinc/11/40/21/269114021.db2.gz BJCVRAVKFHUOPH-ZDUSSCGKSA-N -1 0 349.368 2.279 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n(C)n1 ZINC000191764744 274051792 /nfs/dbraw/zinc/05/17/92/274051792.db2.gz YBCAIGPDAIJNSJ-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM CC(C)(C)c1nnc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC000272708256 274178504 /nfs/dbraw/zinc/17/85/04/274178504.db2.gz WVTPMUAKJXWIRR-UHFFFAOYSA-N -1 0 336.373 2.379 20 5 EEBDRM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000275296591 274236950 /nfs/dbraw/zinc/23/69/50/274236950.db2.gz MTWZFRNKIKTLEV-CYBMUJFWSA-N -1 0 344.389 2.023 20 5 EEBDRM CO[C@H](C)CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000295304906 293677919 /nfs/dbraw/zinc/67/79/19/293677919.db2.gz MQQXETRMRONDOS-SSDOTTSWSA-N -1 0 342.295 2.390 20 5 EEBDRM Cn1ccnc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000375944954 303005880 /nfs/dbraw/zinc/00/58/80/303005880.db2.gz BMSWEGDOWKXDIX-NSHDSACASA-N -1 0 330.344 2.054 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000391100142 312439311 /nfs/dbraw/zinc/43/93/11/312439311.db2.gz YQJRXSPWKKTAQC-QMMMGPOBSA-N -1 0 338.307 2.448 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCCCCC(=O)[O-])s1 ZINC000416424166 313220559 /nfs/dbraw/zinc/22/05/59/313220559.db2.gz AYJIRWSADUMMNE-UHFFFAOYSA-N -1 0 336.391 2.117 20 5 EEBDRM CCOC[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000417610804 313549579 /nfs/dbraw/zinc/54/95/79/313549579.db2.gz UKKNOPKWLBFZIS-AWEZNQCLSA-N -1 0 334.328 2.434 20 5 EEBDRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cn2n1 ZINC000430368050 314524331 /nfs/dbraw/zinc/52/43/31/314524331.db2.gz DGGLXMGELZAYBP-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM COC(=O)c1ccc(C)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1O ZINC000436962123 315016804 /nfs/dbraw/zinc/01/68/04/315016804.db2.gz DDYAEFJARHDXSV-UHFFFAOYSA-N -1 0 346.295 2.353 20 5 EEBDRM O=C(Nc1ccc(N2CCCC2=O)cn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436982124 315019593 /nfs/dbraw/zinc/01/95/93/315019593.db2.gz SQELXFJQKULBCC-UHFFFAOYSA-N -1 0 342.311 2.075 20 5 EEBDRM COc1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000089642098 441567473 /nfs/dbraw/zinc/56/74/73/441567473.db2.gz GFXQIDUYXJVBIW-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM CC(C)c1ncc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])cn1 ZINC000442971730 315222679 /nfs/dbraw/zinc/22/26/79/315222679.db2.gz LCQWZAPFOQKAHF-UHFFFAOYSA-N -1 0 330.344 2.486 20 5 EEBDRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1(C(=O)[O-])CCSCC1 ZINC000492892877 315833258 /nfs/dbraw/zinc/83/32/58/315833258.db2.gz MEGHRHDJMMKRDN-SNAWJCMRSA-N -1 0 336.369 2.075 20 5 EEBDRM COC(=O)Nc1cccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000495763862 316096320 /nfs/dbraw/zinc/09/63/20/316096320.db2.gz NZNLPVJTZXVMAO-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM CN(CC(=O)Nc1ccccc1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000505265422 316357764 /nfs/dbraw/zinc/35/77/64/316357764.db2.gz KCTFEHCMOFCWLT-UHFFFAOYSA-N -1 0 329.312 2.011 20 5 EEBDRM COc1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c(OC)n1 ZINC000521050450 316891938 /nfs/dbraw/zinc/89/19/38/316891938.db2.gz OTHNSUVEGVLEES-UHFFFAOYSA-N -1 0 347.327 2.246 20 5 EEBDRM CNc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000532694097 317878399 /nfs/dbraw/zinc/87/83/99/317878399.db2.gz QLAFJLASNVXTCB-CQSZACIVSA-N -1 0 343.339 2.062 20 5 EEBDRM Cc1cc(N2CCC(O)(C(=O)[O-])CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000565483713 319187059 /nfs/dbraw/zinc/18/70/59/319187059.db2.gz NUHVDVJBUOYGCO-UHFFFAOYSA-N -1 0 348.277 2.338 20 5 EEBDRM CC(C)(CO)CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566069883 319240585 /nfs/dbraw/zinc/24/05/85/319240585.db2.gz IDBJEZBGLBJNQC-UHFFFAOYSA-N -1 0 330.768 2.482 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000566175622 319256337 /nfs/dbraw/zinc/25/63/37/319256337.db2.gz DFOTVLQAMQFYBN-QPUJVOFHSA-N -1 0 342.373 2.068 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)NC2CCCCCC2)cc1[N+](=O)[O-] ZINC000566178722 319256678 /nfs/dbraw/zinc/25/66/78/319256678.db2.gz HLIOXBHFFKLTBW-UHFFFAOYSA-N -1 0 342.373 2.294 20 5 EEBDRM CCCN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000566676479 319310987 /nfs/dbraw/zinc/31/09/87/319310987.db2.gz PTPVHDOGGBXNON-UHFFFAOYSA-N -1 0 330.362 2.022 20 5 EEBDRM COCC[C@@H](Cc1ccco1)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567984734 319441585 /nfs/dbraw/zinc/44/15/85/319441585.db2.gz ADVZNFYLECOVJH-JTQLQIEISA-N -1 0 335.316 2.341 20 5 EEBDRM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000569247799 319560026 /nfs/dbraw/zinc/56/00/26/319560026.db2.gz CPQMZUBEHMWJQA-GHMZBOCLSA-N -1 0 342.373 2.061 20 5 EEBDRM C[C@H](CCC1CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000573916915 319978267 /nfs/dbraw/zinc/97/82/67/319978267.db2.gz CPTGNVAGZDXFFK-SECBINFHSA-N -1 0 342.373 2.150 20 5 EEBDRM NC(=O)c1ccc(Cc2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC000575865402 320120839 /nfs/dbraw/zinc/12/08/39/320120839.db2.gz SFJQCZIQHGMTPX-UHFFFAOYSA-N -1 0 340.295 2.040 20 5 EEBDRM CN(C[C@@H]1OCCc2ccccc21)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576521142 320179598 /nfs/dbraw/zinc/17/95/98/320179598.db2.gz RTZAYWBXGKZYQD-AWEZNQCLSA-N -1 0 343.339 2.438 20 5 EEBDRM C[C@H]1COCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000577399797 320253872 /nfs/dbraw/zinc/25/38/72/320253872.db2.gz LUSKWPAEBVGTBQ-DTWKUNHWSA-N -1 0 328.752 2.356 20 5 EEBDRM Cc1ccc2c(c1)CN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])CCO2 ZINC000580717849 324118619 /nfs/dbraw/zinc/11/86/19/324118619.db2.gz KBGZPNIBHZSISC-UHFFFAOYSA-N -1 0 329.312 2.395 20 5 EEBDRM COCCn1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1C ZINC000184853101 465029180 /nfs/dbraw/zinc/02/91/80/465029180.db2.gz FZSXWDHWBZKDTE-UHFFFAOYSA-N -1 0 334.332 2.012 20 5 EEBDRM CN1C(=O)CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000339117879 465092601 /nfs/dbraw/zinc/09/26/01/465092601.db2.gz JDOIZIFGVLDRRW-QGZVFWFLSA-N -1 0 327.340 2.273 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1OC ZINC000590597726 468283134 /nfs/dbraw/zinc/28/31/34/468283134.db2.gz WHNYJOFTHGFHMD-UONOGXRCSA-N -1 0 344.389 2.303 20 5 EEBDRM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000113947129 462617954 /nfs/dbraw/zinc/61/79/54/462617954.db2.gz HYWCDTANYPLBCP-QMMMGPOBSA-N -1 0 343.336 2.378 20 5 EEBDRM Cc1noc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)n1 ZINC000065103817 462737599 /nfs/dbraw/zinc/73/75/99/462737599.db2.gz ZWEHPVOIPTZNRK-NSHDSACASA-N -1 0 332.316 2.012 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000093929274 463053289 /nfs/dbraw/zinc/05/32/89/463053289.db2.gz MFBOWZQZBZCYFT-UHFFFAOYSA-N -1 0 343.386 2.478 20 5 EEBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000093930906 463053412 /nfs/dbraw/zinc/05/34/12/463053412.db2.gz HWRAMELVBSQUAO-UHFFFAOYSA-N -1 0 341.345 2.147 20 5 EEBDRM Cc1nn(C)c2ncc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc12 ZINC000030608053 463306461 /nfs/dbraw/zinc/30/64/61/463306461.db2.gz OVINKYQKXXDQJI-UHFFFAOYSA-N -1 0 327.300 2.143 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000055556211 463331595 /nfs/dbraw/zinc/33/15/95/463331595.db2.gz SPUDGYDOCHOPMG-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000103060147 463394037 /nfs/dbraw/zinc/39/40/37/463394037.db2.gz SIJZIPUGLVRHMI-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1[O-] ZINC000032797855 463395086 /nfs/dbraw/zinc/39/50/86/463395086.db2.gz VCBDJUBXSXYICP-UHFFFAOYSA-N -1 0 334.353 2.442 20 5 EEBDRM C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164412233 463622941 /nfs/dbraw/zinc/62/29/41/463622941.db2.gz SCCRLHVZUFSXEO-LBPRGKRZSA-N -1 0 341.367 2.481 20 5 EEBDRM Cc1cc(Br)c(NC(=O)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000168621948 463667047 /nfs/dbraw/zinc/66/70/47/463667047.db2.gz RFJJGJLINUAYAL-UHFFFAOYSA-N -1 0 331.122 2.469 20 5 EEBDRM CC(=O)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000185185373 463773547 /nfs/dbraw/zinc/77/35/47/463773547.db2.gz LVFMOTCYLLJZND-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM O=C([O-])[C@H]1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000194493092 463872895 /nfs/dbraw/zinc/87/28/95/463872895.db2.gz PBYMIJZGYAIMHI-WCQYABFASA-N -1 0 335.360 2.156 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)o1 ZINC000194739424 463920074 /nfs/dbraw/zinc/92/00/74/463920074.db2.gz VMINJXDGLUFTFD-UHFFFAOYSA-N -1 0 340.361 2.348 20 5 EEBDRM C[C@H](N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000269296163 463945119 /nfs/dbraw/zinc/94/51/19/463945119.db2.gz RSPIDNIMXSKOEI-VIFPVBQESA-N -1 0 347.293 2.009 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000263389888 464097212 /nfs/dbraw/zinc/09/72/12/464097212.db2.gz CQOMWOOOECVQKV-QGZVFWFLSA-N -1 0 347.371 2.274 20 5 EEBDRM CC(C)(C)C(=O)NCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180778512 464393365 /nfs/dbraw/zinc/39/33/65/464393365.db2.gz ZDURTFKAQKMDGP-UHFFFAOYSA-N -1 0 329.740 2.055 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000237949657 464408901 /nfs/dbraw/zinc/40/89/01/464408901.db2.gz CZOWMCPJOLSDAD-LBPRGKRZSA-N -1 0 335.360 2.110 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)ccc1[N+](=O)[O-] ZINC000174769147 464449277 /nfs/dbraw/zinc/44/92/77/464449277.db2.gz HEXMJPOYZXJHNX-UHFFFAOYSA-N -1 0 336.373 2.311 20 5 EEBDRM C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C(=O)[O-])C1 ZINC000568893433 468403566 /nfs/dbraw/zinc/40/35/66/468403566.db2.gz KNIFMRVFTAVWRS-MFKMUULPSA-N -1 0 346.343 2.330 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H](C)C(=O)[O-] ZINC000294467890 464508866 /nfs/dbraw/zinc/50/88/66/464508866.db2.gz FJIIXWCXFXFSJB-VXGBXAGGSA-N -1 0 349.387 2.424 20 5 EEBDRM COc1cc(CNc2nnc([C@@H]3CCCO3)o2)cc([N+](=O)[O-])c1[O-] ZINC000272202271 464517322 /nfs/dbraw/zinc/51/73/22/464517322.db2.gz HQLBBZUYPMMBPF-JTQLQIEISA-N -1 0 336.304 2.156 20 5 EEBDRM Cc1cn2c(n1)[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CCC2 ZINC000356788506 465541809 /nfs/dbraw/zinc/54/18/09/465541809.db2.gz WUQRDHHZWPRDHG-NSHDSACASA-N -1 0 330.344 2.113 20 5 EEBDRM O=C(NCc1cccc(-n2ccnc2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353050206 465603902 /nfs/dbraw/zinc/60/39/02/465603902.db2.gz FBPQRXPWXRMUDG-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600050916 468443416 /nfs/dbraw/zinc/44/34/16/468443416.db2.gz NDUOVEZQQCFKEP-UHFFFAOYSA-N -1 0 348.315 2.231 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)C=C([O-])c2c[nH]c3ncccc23)cc1 ZINC000357062812 465737049 /nfs/dbraw/zinc/73/70/49/465737049.db2.gz YEQIDKRCBLIPGP-UHFFFAOYSA-N -1 0 345.336 2.128 20 5 EEBDRM CSc1nc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000299560614 465801533 /nfs/dbraw/zinc/80/15/33/465801533.db2.gz SDYVOCBSQZBHEZ-UHFFFAOYSA-N -1 0 348.388 2.287 20 5 EEBDRM COc1ccc2c(c1)OCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000367238780 466210337 /nfs/dbraw/zinc/21/03/37/466210337.db2.gz QGICYDKLWQSZAA-UHFFFAOYSA-N -1 0 344.323 2.344 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCOc2cc(O)ccc2C1 ZINC000367417625 466324656 /nfs/dbraw/zinc/32/46/56/466324656.db2.gz HSZRHKGINHEODM-UHFFFAOYSA-N -1 0 330.296 2.041 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)s[n-]1 ZINC000338927491 466492802 /nfs/dbraw/zinc/49/28/02/466492802.db2.gz XFLCGXPFVHWTPC-SSDOTTSWSA-N -1 0 347.356 2.309 20 5 EEBDRM CCC[C@](C)(NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000322283932 466630938 /nfs/dbraw/zinc/63/09/38/466630938.db2.gz OTQAHYAATMJOOV-AWEZNQCLSA-N -1 0 325.321 2.368 20 5 EEBDRM CN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c2ccccc2C1=O ZINC000365996119 467019878 /nfs/dbraw/zinc/01/98/78/467019878.db2.gz KTKKSORJIYVVPP-CYBMUJFWSA-N -1 0 341.323 2.108 20 5 EEBDRM CN(C)C(=O)Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000427896669 467184790 /nfs/dbraw/zinc/18/47/90/467184790.db2.gz OKGWSIDGDRCBTR-UHFFFAOYSA-N -1 0 343.339 2.183 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)ccc1[N+](=O)[O-] ZINC000451046227 467234344 /nfs/dbraw/zinc/23/43/44/467234344.db2.gz FRNSGKDWHDBMKA-UHFFFAOYSA-N -1 0 349.368 2.288 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)CC2 ZINC000488358245 468082548 /nfs/dbraw/zinc/08/25/48/468082548.db2.gz RBNDLEADVSGBAV-CYBMUJFWSA-N -1 0 344.371 2.365 20 5 EEBDRM CC[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000520340903 468243244 /nfs/dbraw/zinc/24/32/44/468243244.db2.gz RVELGZQWTOCGJQ-VXGBXAGGSA-N -1 0 327.406 2.485 20 5 EEBDRM O=C([O-])c1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000568060688 468266152 /nfs/dbraw/zinc/26/61/52/468266152.db2.gz KQLNRIJSNGXVKV-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM C[C@@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594541720 468617525 /nfs/dbraw/zinc/61/75/25/468617525.db2.gz YBOQXWXTSDVCAJ-DVVUODLYSA-N -1 0 332.360 2.440 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN1CCc2occc2[C@H]1C(=O)[O-] ZINC000600676196 468617771 /nfs/dbraw/zinc/61/77/71/468617771.db2.gz ZKJKRRJACVIOSQ-HNNXBMFYSA-N -1 0 332.312 2.380 20 5 EEBDRM C[C@H]1CC[C@@](NC(=O)NCCc2ccccc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC000594685095 468653109 /nfs/dbraw/zinc/65/31/09/468653109.db2.gz IOBHWFUKETZFRP-QASKLWRZSA-N -1 0 349.387 2.470 20 5 EEBDRM CC(C)(CO)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccnc1 ZINC000597845849 468690997 /nfs/dbraw/zinc/69/09/97/468690997.db2.gz MSDCNPKNZKVCOL-HNNXBMFYSA-N -1 0 345.355 2.185 20 5 EEBDRM CCC[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000592468886 468704713 /nfs/dbraw/zinc/70/47/13/468704713.db2.gz OOCVZZMFKBOZNU-ZDUSSCGKSA-N -1 0 349.387 2.181 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000571449051 468790222 /nfs/dbraw/zinc/79/02/22/468790222.db2.gz JRAGHPCXUWGOAZ-UHFFFAOYSA-N -1 0 348.359 2.219 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000598662919 468950504 /nfs/dbraw/zinc/95/05/04/468950504.db2.gz XDRRBGNBANEMKJ-ZDUSSCGKSA-N -1 0 346.343 2.234 20 5 EEBDRM CCC(CC)(CNc1nccc(C(=O)OC)c1[N+](=O)[O-])C(=O)[O-] ZINC000598733012 468977291 /nfs/dbraw/zinc/97/72/91/468977291.db2.gz WOPJAAMFMKPKKE-UHFFFAOYSA-N -1 0 325.321 2.079 20 5 EEBDRM CC(C)Oc1ncccc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000610876116 469099485 /nfs/dbraw/zinc/09/94/85/469099485.db2.gz GDMWYTYOFRGHHA-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM O=C(NC[C@@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000610880069 469101491 /nfs/dbraw/zinc/10/14/91/469101491.db2.gz ROKROYQQMZXXNF-HNNXBMFYSA-N -1 0 328.324 2.344 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2noc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000563134567 469180480 /nfs/dbraw/zinc/18/04/80/469180480.db2.gz GNFRREBZKRGGEL-UHFFFAOYSA-N -1 0 340.361 2.464 20 5 EEBDRM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCC[C@H]1O ZINC000563194557 469193919 /nfs/dbraw/zinc/19/39/19/469193919.db2.gz MVXFYBXHCVGRNA-ZYHUDNBSSA-N -1 0 328.752 2.329 20 5 EEBDRM CN(CC(=O)N(C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534466 469274362 /nfs/dbraw/zinc/27/43/62/469274362.db2.gz DWSPCFGZSFTIQM-UHFFFAOYSA-N -1 0 349.387 2.164 20 5 EEBDRM CN(CC(=O)N(C)C1CCCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612526414 469487286 /nfs/dbraw/zinc/48/72/86/469487286.db2.gz VOWCTIQZYOLSJU-UHFFFAOYSA-N -1 0 349.387 2.164 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000619541849 469634989 /nfs/dbraw/zinc/63/49/89/469634989.db2.gz BHRHXWPGCQUHKC-AWEZNQCLSA-N -1 0 335.360 2.176 20 5 EEBDRM COCCOc1ccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000738065577 577998098 /nfs/dbraw/zinc/99/80/98/577998098.db2.gz XOAJOUVGCJUZLP-UHFFFAOYSA-N -1 0 333.300 2.457 20 5 EEBDRM Cc1cc(C)n([C@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000738372498 578011451 /nfs/dbraw/zinc/01/14/51/578011451.db2.gz SUQGIGUTZZPFAR-SNVBAGLBSA-N -1 0 332.316 2.306 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000739369875 576009273 /nfs/dbraw/zinc/00/92/73/576009273.db2.gz AOFQDTBRZHYXBR-NSHDSACASA-N -1 0 342.279 2.490 20 5 EEBDRM COc1ccc(CC(=O)Oc2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000737984469 576020627 /nfs/dbraw/zinc/02/06/27/576020627.db2.gz MHBXLLGHERRNNN-UHFFFAOYSA-N -1 0 345.307 2.379 20 5 EEBDRM O=C([O-])c1cccc(OCCn2cc([N+](=O)[O-])cc(Cl)c2=O)c1 ZINC000740231375 576401898 /nfs/dbraw/zinc/40/18/98/576401898.db2.gz MZUOLAKYMZMCRE-UHFFFAOYSA-N -1 0 338.703 2.187 20 5 EEBDRM C[C@@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000737707668 576490242 /nfs/dbraw/zinc/49/02/42/576490242.db2.gz SOYRBMUSCKWRTC-ZCFIWIBFSA-N -1 0 336.222 2.042 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)ccc1[N+](=O)[O-] ZINC000759146358 577637939 /nfs/dbraw/zinc/63/79/39/577637939.db2.gz IMYSNMOLRXPOND-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]c1C1CC1 ZINC000760324184 577660724 /nfs/dbraw/zinc/66/07/24/577660724.db2.gz WUNHFHGNYALMLF-UHFFFAOYSA-N -1 0 340.336 2.444 20 5 EEBDRM CCCCCCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000761235567 577680172 /nfs/dbraw/zinc/68/01/72/577680172.db2.gz TYXHPIIGOSTWDC-UHFFFAOYSA-N -1 0 330.362 2.152 20 5 EEBDRM CCCCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000761415442 577683482 /nfs/dbraw/zinc/68/34/82/577683482.db2.gz CXIFSYXJVXPRME-UHFFFAOYSA-N -1 0 344.389 2.379 20 5 EEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C=C2CCC2)cc1[N+](=O)[O-] ZINC000756220768 577840465 /nfs/dbraw/zinc/84/04/65/577840465.db2.gz GCSGHTKPZKGNGG-UHFFFAOYSA-N -1 0 344.776 2.472 20 5 EEBDRM O=C([O-])c1cc(N2CCN(c3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000743329533 577883216 /nfs/dbraw/zinc/88/32/16/577883216.db2.gz AYGHKSNNUMVUDR-UHFFFAOYSA-N -1 0 343.339 2.325 20 5 EEBDRM O=C([O-])CCSCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000739743486 578066405 /nfs/dbraw/zinc/06/64/05/578066405.db2.gz IQXASAGOEOXSNJ-UHFFFAOYSA-N -1 0 332.765 2.186 20 5 EEBDRM CCC/C=C\C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000735209280 578140371 /nfs/dbraw/zinc/14/03/71/578140371.db2.gz YHSQXRNFDMEGEU-YWEYNIOJSA-N -1 0 332.765 2.409 20 5 EEBDRM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1cccc(O)c1 ZINC000736140153 578182853 /nfs/dbraw/zinc/18/28/53/578182853.db2.gz YZBXYMJVWPAMBH-QMMMGPOBSA-N -1 0 327.304 2.049 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNCc1ccc(-c2nn[nH]n2)cc1 ZINC000737115212 578238887 /nfs/dbraw/zinc/23/88/87/578238887.db2.gz NELSJPODYHLECI-UHFFFAOYSA-N -1 0 340.343 2.073 20 5 EEBDRM O=C([O-])[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000821512467 598122919 /nfs/dbraw/zinc/12/29/19/598122919.db2.gz JGNRMLPTCDXTFK-CYBMUJFWSA-N -1 0 349.368 2.004 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000832476583 601152633 /nfs/dbraw/zinc/15/26/33/601152633.db2.gz SEIQSXYPNSITSE-UHFFFAOYSA-N -1 0 348.286 2.474 20 5 EEBDRM O=C(CSc1ccccc1[N+](=O)[O-])NCC1(C(=O)[O-])CCCC1 ZINC000833116354 601707186 /nfs/dbraw/zinc/70/71/86/601707186.db2.gz RUTCUSKEOOXACK-UHFFFAOYSA-N -1 0 338.385 2.448 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000263233731 601760445 /nfs/dbraw/zinc/76/04/45/601760445.db2.gz MTKIEHBPDAWQBM-VIFPVBQESA-N -1 0 341.751 2.254 20 5 EEBDRM COCCN(CCC(=O)[O-])c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000831730110 601858639 /nfs/dbraw/zinc/85/86/39/601858639.db2.gz WKSUXOGZKYHFEK-UHFFFAOYSA-N -1 0 325.346 2.132 20 5 EEBDRM Cc1cc(N2CCN(C(=O)C(C)(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891307 602313718 /nfs/dbraw/zinc/31/37/18/602313718.db2.gz PYNIWOMMXBQMEL-UHFFFAOYSA-N -1 0 349.387 2.296 20 5 EEBDRM C[C@H]1C[C@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833599045 604718003 /nfs/dbraw/zinc/71/80/03/604718003.db2.gz VSNZLKBQMDYWBS-JGVFFNPUSA-N -1 0 325.277 2.181 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000833009088 604728495 /nfs/dbraw/zinc/72/84/95/604728495.db2.gz AXRQDJOZYJNJAF-UHFFFAOYSA-N -1 0 336.329 2.024 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)NCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000817982743 604822969 /nfs/dbraw/zinc/82/29/69/604822969.db2.gz HZBZHRQGEXWQTQ-UHFFFAOYSA-N -1 0 332.316 2.070 20 5 EEBDRM CC(C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178765401 681544231 /nfs/dbraw/zinc/54/42/31/681544231.db2.gz FEURDIFCMJMSFT-UHFFFAOYSA-N -1 0 340.279 2.082 20 5 EEBDRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000104390373 687365665 /nfs/dbraw/zinc/36/56/65/687365665.db2.gz IXWJBSHUQUJZSU-UHFFFAOYSA-N -1 0 344.258 2.330 20 5 EEBDRM CCCC[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263554690 690131726 /nfs/dbraw/zinc/13/17/26/690131726.db2.gz NNCBXBXIRRXTIS-SSDOTTSWSA-N -1 0 336.391 2.115 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cn1 ZINC000132257972 1202093669 /nfs/dbraw/zinc/09/36/69/1202093669.db2.gz SKPRZDPOVCMYCW-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119330609 1296149440 /nfs/dbraw/zinc/14/94/40/1296149440.db2.gz BLUUXPXHCLUKPQ-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1 ZINC001215380703 1296879975 /nfs/dbraw/zinc/87/99/75/1296879975.db2.gz YYYFYKODLKLXBF-UHFFFAOYSA-N -1 0 347.218 2.460 20 5 EEBDRM COc1cnc(-c2noc(-c3cc([O-])ccc3[N+](=O)[O-])n2)c(OC)c1 ZINC001216682569 1297253263 /nfs/dbraw/zinc/25/32/63/1297253263.db2.gz XMINTBFYIGXPOT-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC001226021878 1301235726 /nfs/dbraw/zinc/23/57/26/1301235726.db2.gz WEVPRDSTLFIDAX-IUCAKERBSA-N -1 0 325.321 2.225 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC001226650656 1301494879 /nfs/dbraw/zinc/49/48/79/1301494879.db2.gz AMYSEAIFLRNTTG-BRPSZJMVSA-N -1 0 325.321 2.081 20 5 EEBDRM CC[C@@H](C)C[C@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226653057 1301495774 /nfs/dbraw/zinc/49/57/74/1301495774.db2.gz QJWPYNNDOTWUFH-BDAKNGLRSA-N -1 0 327.337 2.471 20 5 EEBDRM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3cc([N+](=O)[O-])ccc3O)C2)nc1 ZINC001229396178 1302761337 /nfs/dbraw/zinc/76/13/37/1302761337.db2.gz QUGWWKDCVZXTAS-LBPRGKRZSA-N -1 0 346.299 2.261 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000797733232 1304817420 /nfs/dbraw/zinc/81/74/20/1304817420.db2.gz XVGRJXSEPOYAPH-GAFUQQFSSA-N -1 0 339.323 2.171 20 5 EEBDRM C[C@@H]1CC=C(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000835232299 1314906131 /nfs/dbraw/zinc/90/61/31/1314906131.db2.gz QJCOHAHULIVFAE-SECBINFHSA-N -1 0 342.348 2.285 20 5 EEBDRM O=C(Cc1[nH]nc2c1CCCC2)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837648786 1315099505 /nfs/dbraw/zinc/09/95/05/1315099505.db2.gz KKFKUTJIZZFJEG-UHFFFAOYSA-N -1 0 331.328 2.188 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000842407114 1315698612 /nfs/dbraw/zinc/69/86/12/1315698612.db2.gz VXJDNHCPDVISPU-SNVBAGLBSA-N -1 0 328.390 2.141 20 5 EEBDRM Cc1cc(N[C@H]2SC(=O)[N-]C2=O)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163667099 1321186842 /nfs/dbraw/zinc/18/68/42/1321186842.db2.gz XRDLJEAKMVFDHN-ZDUSSCGKSA-N -1 0 345.340 2.081 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001608488937 1351703520 /nfs/dbraw/zinc/70/35/20/1351703520.db2.gz JRJQYSNUXANVKD-SVRRBLITSA-N -1 0 330.699 2.370 20 5 EEBDRM O=C([O-])[C@]12CN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001602206620 1350465422 /nfs/dbraw/zinc/46/54/22/1350465422.db2.gz QMCXUFXCEFURCU-YMTOWFKASA-N -1 0 336.373 2.385 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001605059941 1351068934 /nfs/dbraw/zinc/06/89/34/1351068934.db2.gz HEHRJFBFXVEGHB-KGLIPLIRSA-N -1 0 334.372 2.487 20 5 EEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001608598621 1351723297 /nfs/dbraw/zinc/72/32/97/1351723297.db2.gz BUSNKCGHIIXSGU-ZSGNIPIJSA-N -1 0 343.339 2.401 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2CC[C@H](O)C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001608830713 1351773505 /nfs/dbraw/zinc/77/35/05/1351773505.db2.gz XUGIJQBSVLKMFV-QMMMGPOBSA-N -1 0 336.678 2.153 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CCc3cccnc32)c1 ZINC001608914749 1351792848 /nfs/dbraw/zinc/79/28/48/1351792848.db2.gz IBHXRRGAPLNNQD-CYBMUJFWSA-N -1 0 342.307 2.461 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2nccc(C(F)F)n2)n1 ZINC001608915524 1351793601 /nfs/dbraw/zinc/79/36/01/1351793601.db2.gz AFLKYZVWOWPDKH-UHFFFAOYSA-N -1 0 325.231 2.028 20 5 EEBDRM CSC[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001338058372 1336782987 /nfs/dbraw/zinc/78/29/87/1336782987.db2.gz CHOIHSLBSDLBKL-NSHDSACASA-N -1 0 349.416 2.428 20 5 EEBDRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC001609859454 1352104334 /nfs/dbraw/zinc/10/43/34/1352104334.db2.gz DPJNQEQAHMMQJV-KAOXEZKKSA-N -1 0 332.356 2.410 20 5 EEBDRM CNc1c(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001610148249 1352173403 /nfs/dbraw/zinc/17/34/03/1352173403.db2.gz WLJIWDTWJADDEH-CQSZACIVSA-N -1 0 344.323 2.489 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC001610214100 1352187157 /nfs/dbraw/zinc/18/71/57/1352187157.db2.gz FTPHHYPXSJTILP-MRXNPFEDSA-N -1 0 336.344 2.068 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CN2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC001610664107 1352258509 /nfs/dbraw/zinc/25/85/09/1352258509.db2.gz ROCCDOKNPHHYKB-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001610709994 1352263137 /nfs/dbraw/zinc/26/31/37/1352263137.db2.gz JVFQEGGXUDWGFA-LBPRGKRZSA-N -1 0 331.687 2.279 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC001610810705 1352278952 /nfs/dbraw/zinc/27/89/52/1352278952.db2.gz PBNDIIRZKSVYNT-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2cc(C3CC3)nn2C)n1 ZINC001600105195 1349972238 /nfs/dbraw/zinc/97/22/38/1349972238.db2.gz CBCUQECEROHASI-UHFFFAOYSA-N -1 0 331.332 2.219 20 5 EEBDRM Cc1cc(COC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)ccc1[N+](=O)[O-] ZINC001600211966 1349994486 /nfs/dbraw/zinc/99/44/86/1349994486.db2.gz KEWJGODFJZTGQA-GXTWGEPZSA-N -1 0 337.328 2.359 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC001600215697 1349994900 /nfs/dbraw/zinc/99/49/00/1349994900.db2.gz FIBOYCINTGYOFQ-DTWKUNHWSA-N -1 0 326.736 2.492 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C)o1 ZINC001600300890 1350014559 /nfs/dbraw/zinc/01/45/59/1350014559.db2.gz NPNMIEUXHPPLFT-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC001600304086 1350015691 /nfs/dbraw/zinc/01/56/91/1350015691.db2.gz OURRKNMVEZTNGN-GFCCVEGCSA-N -1 0 343.339 2.414 20 5 EEBDRM Cc1ccc(Cn2cnc3sc([N+](=O)[O-])cc3c2=O)cc1C(=O)[O-] ZINC001600427429 1350048642 /nfs/dbraw/zinc/04/86/42/1350048642.db2.gz REZLANQDYLTQJB-UHFFFAOYSA-N -1 0 345.336 2.421 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1 ZINC001600486656 1350063068 /nfs/dbraw/zinc/06/30/68/1350063068.db2.gz BYABTQMGYRGCLI-KJEVXHAQSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1nc(N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])ncc1[N+](=O)[O-] ZINC001600714235 1350119872 /nfs/dbraw/zinc/11/98/72/1350119872.db2.gz MBMYHZKLYDTWHX-GXFFZTMASA-N -1 0 330.344 2.437 20 5 EEBDRM NC(=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001601144471 1350220003 /nfs/dbraw/zinc/22/00/03/1350220003.db2.gz HQDLNGGNDOJNSB-JGVFFNPUSA-N -1 0 341.751 2.402 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC001601290170 1350250168 /nfs/dbraw/zinc/25/01/68/1350250168.db2.gz GFRXNCYUWYUVSG-MRXNPFEDSA-N -1 0 344.323 2.175 20 5 EEBDRM O=C([O-])c1ccc(CC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC001601356267 1350265100 /nfs/dbraw/zinc/26/51/00/1350265100.db2.gz LQXPRJMDPNTKBU-UHFFFAOYSA-N -1 0 328.324 2.194 20 5 EEBDRM O=C([O-])c1cc2cccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2s1 ZINC001601386760 1350271944 /nfs/dbraw/zinc/27/19/44/1350271944.db2.gz IIYDOAFWLSBRDI-UHFFFAOYSA-N -1 0 346.324 2.343 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC001601393397 1350272888 /nfs/dbraw/zinc/27/28/88/1350272888.db2.gz OKOSNXWZFUUNJX-JTQLQIEISA-N -1 0 332.234 2.207 20 5 EEBDRM O=C([O-])C1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001601470891 1350291205 /nfs/dbraw/zinc/29/12/05/1350291205.db2.gz SXQCAPSDNZQKQA-UONOGXRCSA-N -1 0 332.356 2.460 20 5 EEBDRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC001601663980 1350331971 /nfs/dbraw/zinc/33/19/71/1350331971.db2.gz AQQVWDCTHUMBBR-RBSFLKMASA-N -1 0 341.323 2.035 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](Nc3ccnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC001601864740 1350384627 /nfs/dbraw/zinc/38/46/27/1350384627.db2.gz UTTMPBRGXAGTLE-YKOVKSCGSA-N -1 0 327.340 2.476 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccon1 ZINC001602032095 1350422000 /nfs/dbraw/zinc/42/20/00/1350422000.db2.gz RXVPVSPHBLNSEC-UHFFFAOYSA-N -1 0 337.313 2.402 20 5 EEBDRM O=C([O-])CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 ZINC001602051666 1350427484 /nfs/dbraw/zinc/42/74/84/1350427484.db2.gz SDNDGAZKBOKUMZ-UHFFFAOYSA-N -1 0 336.347 2.371 20 5 EEBDRM O=C([O-])COc1ccc(CN2CCC[C@@H]2c2ncc[nH]2)cc1[N+](=O)[O-] ZINC001602081937 1350432304 /nfs/dbraw/zinc/43/23/04/1350432304.db2.gz FCULPDRRSWBVLP-GFCCVEGCSA-N -1 0 346.343 2.118 20 5 EEBDRM O=C([O-])Cc1ccccc1OC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001602149475 1350451616 /nfs/dbraw/zinc/45/16/16/1350451616.db2.gz HYLBLQYOJVRBCM-ZDUSSCGKSA-N -1 0 347.323 2.041 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001602172820 1350457366 /nfs/dbraw/zinc/45/73/66/1350457366.db2.gz UGDFTNZPHJUHBX-BARDWOONSA-N -1 0 332.356 2.458 20 5 EEBDRM O=C([O-])[C@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC001602212351 1350467363 /nfs/dbraw/zinc/46/73/63/1350467363.db2.gz BPDRMNMAPVUTQJ-ZDUSSCGKSA-N -1 0 330.344 2.212 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](O)c1ccncc1 ZINC001602298535 1350487766 /nfs/dbraw/zinc/48/77/66/1350487766.db2.gz KVNBZNDVYUUJGD-LBPRGKRZSA-N -1 0 337.719 2.487 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](O)c1ccccn1 ZINC001602298390 1350487847 /nfs/dbraw/zinc/48/78/47/1350487847.db2.gz DXGIBLJMIVMRKL-LBPRGKRZSA-N -1 0 337.719 2.487 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(C[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC001602298818 1350488288 /nfs/dbraw/zinc/48/82/88/1350488288.db2.gz GWWNPMCKZNFOMQ-UKRRQHHQSA-N -1 0 344.323 2.375 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCC2(CO)CCOCC2)cc1Cl ZINC001602298878 1350488360 /nfs/dbraw/zinc/48/83/60/1350488360.db2.gz IQLHONZOYXQMRH-UHFFFAOYSA-N -1 0 344.751 2.147 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3ncccn3)C2)c1 ZINC001602403999 1350511346 /nfs/dbraw/zinc/51/13/46/1350511346.db2.gz AVMCEIAYXBPJPE-LBPRGKRZSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1n[nH]c2c1CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001602567548 1350548314 /nfs/dbraw/zinc/54/83/14/1350548314.db2.gz QEZAQHOYMZSHHF-UHFFFAOYSA-N -1 0 336.735 2.228 20 5 EEBDRM O=C([O-])c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)o1 ZINC001602661474 1350567808 /nfs/dbraw/zinc/56/78/08/1350567808.db2.gz QYVFFCJZSBGERR-XFFZJAGNSA-N -1 0 328.236 2.231 20 5 EEBDRM C/C(=C/C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001602951502 1350609358 /nfs/dbraw/zinc/60/93/58/1350609358.db2.gz PVXVGFJECSCUNR-FDCWHWSQSA-N -1 0 330.340 2.464 20 5 EEBDRM CC(C)(C)c1nc(Sc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])n[nH]1 ZINC001603125283 1350646297 /nfs/dbraw/zinc/64/62/97/1350646297.db2.gz HCAKETZKFFBVOO-UHFFFAOYSA-N -1 0 346.376 2.342 20 5 EEBDRM CC(C)(c1nc(-c2cccc(C(=O)[O-])c2)no1)n1cc([N+](=O)[O-])cn1 ZINC001603698095 1350744819 /nfs/dbraw/zinc/74/48/19/1350744819.db2.gz YBMZKOWRDYHIGH-UHFFFAOYSA-N -1 0 343.299 2.323 20 5 EEBDRM CC(C)CCCCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001603790688 1350768953 /nfs/dbraw/zinc/76/89/53/1350768953.db2.gz ZXBFZTRSJBBKON-UHFFFAOYSA-N -1 0 344.389 2.398 20 5 EEBDRM C[C@H](OC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)[O-])o1 ZINC001604394484 1350928606 /nfs/dbraw/zinc/92/86/06/1350928606.db2.gz YJURQSLPKWRGQK-SDBXPKJASA-N -1 0 335.268 2.224 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001604635699 1350973800 /nfs/dbraw/zinc/97/38/00/1350973800.db2.gz CSFNCOVAWAQPKW-VXNVDRBHSA-N -1 0 336.735 2.491 20 5 EEBDRM COC(=O)c1ccc(CN(C)c2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001606586157 1351327234 /nfs/dbraw/zinc/32/72/34/1351327234.db2.gz PRLYDDYGACEWGQ-UHFFFAOYSA-N -1 0 345.311 2.111 20 5 EEBDRM COc1cc(CC(=O)[O-])ccc1-c1cc([N+](=O)[O-])ccc1CCO ZINC001607155237 1351439354 /nfs/dbraw/zinc/43/93/54/1351439354.db2.gz XCDKAOIJUWKNAM-UHFFFAOYSA-N -1 0 331.324 2.432 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@](C)(CCF)C(=O)[O-])c1 ZINC001607410768 1351489858 /nfs/dbraw/zinc/48/98/58/1351489858.db2.gz MZHVEZOSNVYADG-CYBMUJFWSA-N -1 0 330.337 2.249 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C(=O)[O-])O1 ZINC001607439209 1351494792 /nfs/dbraw/zinc/49/47/92/1351494792.db2.gz VJLNMTBNUZBZAP-HQJQHLMTSA-N -1 0 345.149 2.036 20 5 EEBDRM C[C@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)c1ccc([N+](=O)[O-])cc1 ZINC001607454512 1351496979 /nfs/dbraw/zinc/49/69/79/1351496979.db2.gz FZVQZKXTXNRJKY-NSHDSACASA-N -1 0 346.343 2.147 20 5 EEBDRM Cc1nn(CC(=O)c2cc(C(=O)[O-])[nH]c2C)c2ccc([N+](=O)[O-])cc12 ZINC001607494869 1351504489 /nfs/dbraw/zinc/50/44/89/1351504489.db2.gz LBQJULWUVVJXEW-UHFFFAOYSA-N -1 0 342.311 2.471 20 5 EEBDRM Cc1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cnn1CC(=O)[O-] ZINC001607549067 1351514081 /nfs/dbraw/zinc/51/40/81/1351514081.db2.gz JTRLRTCERRTIHW-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(Cc2ccccc2)C[C@H](C)O)n1 ZINC001607588887 1351520601 /nfs/dbraw/zinc/52/06/01/1351520601.db2.gz FUASUIXXXFZDPN-LBPRGKRZSA-N -1 0 345.355 2.384 20 5 EEBDRM Cc1csc(C(=O)[O-])c1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC001607924059 1351586746 /nfs/dbraw/zinc/58/67/46/1351586746.db2.gz XUAIESCJHKNMME-UHFFFAOYSA-N -1 0 338.345 2.197 20 5 EEBDRM Cc1ncc2c(n1)CC[C@@H](Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C2 ZINC001607988019 1351598293 /nfs/dbraw/zinc/59/82/93/1351598293.db2.gz XFEUVHDXSJHYRH-CYBMUJFWSA-N -1 0 342.355 2.290 20 5 EEBDRM Cn1cnc2cccc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c21 ZINC001608136076 1351632340 /nfs/dbraw/zinc/63/23/40/1351632340.db2.gz CBXPTJZMFGOZKZ-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM CN(C)c1cc(F)c(C(=O)NC(C)(C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC001606051073 1404759712 /nfs/dbraw/zinc/75/97/12/1404759712.db2.gz YFKMJNMCUGRDSW-UHFFFAOYSA-N -1 0 341.339 2.173 20 5 EEBDRM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000819936471 785732073 /nfs/dbraw/zinc/73/20/73/785732073.db2.gz PILCTXGUKGRLMW-RISCZKNCSA-N -1 0 340.401 2.367 20 5 EEBDRM C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000819953020 785738814 /nfs/dbraw/zinc/73/88/14/785738814.db2.gz IDJYEZLXYCAYAR-ZANVPECISA-N -1 0 344.364 2.365 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@]2(O)CCCc3ccccc32)n1 ZINC000844208371 788927698 /nfs/dbraw/zinc/92/76/98/788927698.db2.gz KNBYZFISSONCNO-KRWDZBQOSA-N -1 0 343.339 2.324 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@H]2CCn3ccnc3C2)c([N+](=O)[O-])c1 ZINC000844215505 788934198 /nfs/dbraw/zinc/93/41/98/788934198.db2.gz QMXXUXSYXCXUNP-QQHVMHFCSA-N -1 0 328.328 2.316 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H](O)c1ccc(F)cc1 ZINC000154156824 797868459 /nfs/dbraw/zinc/86/84/59/797868459.db2.gz LKIZIANBGFVPMN-OTYXRUKQSA-N -1 0 334.303 2.291 20 5 EEBDRM COC(=O)c1n[nH]cc1[N-]c1nccc(Br)c1[N+](=O)[O-] ZINC001169575632 803857830 /nfs/dbraw/zinc/85/78/30/803857830.db2.gz SUWFRWNWMGZFNP-UHFFFAOYSA-N -1 0 342.109 2.006 20 5 EEBDRM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000804476085 810876366 /nfs/dbraw/zinc/87/63/66/810876366.db2.gz JPXHKCFOQPLBEL-MEDUHNTESA-N -1 0 330.340 2.461 20 5 EEBDRM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000804485156 810882789 /nfs/dbraw/zinc/88/27/89/810882789.db2.gz PBWDSZPOUZDPMW-MEDUHNTESA-N -1 0 330.340 2.461 20 5 EEBDRM Cc1cc(C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000532252499 939261012 /nfs/dbraw/zinc/26/10/12/939261012.db2.gz CJWGELWVNRDADU-UHFFFAOYSA-N -1 0 340.335 2.255 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC001602815010 971612967 /nfs/dbraw/zinc/61/29/67/971612967.db2.gz SNBKEKIFBRJXHJ-SNVBAGLBSA-N -1 0 331.328 2.014 20 5 EEBDRM CCOc1cc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001592210925 951310553 /nfs/dbraw/zinc/31/05/53/951310553.db2.gz BAJQODKYTOIERJ-HNNXBMFYSA-N -1 0 337.332 2.322 20 5 EEBDRM O=C([O-])CCCOC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001595052998 951479670 /nfs/dbraw/zinc/47/96/70/951479670.db2.gz RFNWTTDACPQZIJ-UHFFFAOYSA-N -1 0 332.106 2.379 20 5 EEBDRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001602970073 971965872 /nfs/dbraw/zinc/96/58/72/971965872.db2.gz KDECOVPLQPJFKI-ZDUSSCGKSA-N -1 0 332.316 2.280 20 5 EEBDRM C[C@H](CNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001603174312 972271765 /nfs/dbraw/zinc/27/17/65/972271765.db2.gz HXCNTARNAPCCAF-OUCADQQQSA-N -1 0 349.387 2.451 20 5 EEBDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC001573382623 958672091 /nfs/dbraw/zinc/67/20/91/958672091.db2.gz BAWYLUMLHDMZCN-VMPITWQZSA-N -1 0 344.327 2.263 20 5 EEBDRM C[C@@H](C(=O)[O-])c1noc(-c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC001588603096 959453179 /nfs/dbraw/zinc/45/31/79/959453179.db2.gz MQGBGVDQNHCJMR-MRVPVSSYSA-N -1 0 329.272 2.019 20 5 EEBDRM C[C@H](CNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001573698041 959797647 /nfs/dbraw/zinc/79/76/47/959797647.db2.gz IMAIDUBPRUSZBB-UPJWGTAASA-N -1 0 349.387 2.451 20 5 EEBDRM CC[C@@H](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001327015810 961140823 /nfs/dbraw/zinc/14/08/23/961140823.db2.gz CDLWKFZHUNNWQY-SECBINFHSA-N -1 0 330.362 2.008 20 5 EEBDRM C[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001605041888 972655138 /nfs/dbraw/zinc/65/51/38/972655138.db2.gz JSNRWNPRZUNUPG-JKOKRWQUSA-N -1 0 336.344 2.042 20 5 EEBDRM O=C([O-])/C=C/c1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)co1 ZINC001606063975 973197230 /nfs/dbraw/zinc/19/72/30/973197230.db2.gz WGJQUNCDEWYVSS-AATRIKPKSA-N -1 0 346.295 2.094 20 5 EEBDRM CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001603587098 973777514 /nfs/dbraw/zinc/77/75/14/973777514.db2.gz GULJOWCODXULNT-SECBINFHSA-N -1 0 332.106 2.377 20 5 EEBDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])n1C)C(=O)[O-] ZINC001592606412 978554955 /nfs/dbraw/zinc/55/49/55/978554955.db2.gz ZFFMRLXJTPCJLF-LBPRGKRZSA-N -1 0 345.355 2.296 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H]1CC=C(C(=O)[O-])C1 ZINC000863479895 979672131 /nfs/dbraw/zinc/67/21/31/979672131.db2.gz CPONUVXVUUNTEY-JTQLQIEISA-N -1 0 329.312 2.159 20 5 EEBDRM C[C@@](NC(=O)Cc1ccccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593044147 980331174 /nfs/dbraw/zinc/33/11/74/980331174.db2.gz MXLLSEJEBCYBEV-KRWDZBQOSA-N -1 0 346.314 2.393 20 5 EEBDRM CCCc1nnc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001596094927 983416090 /nfs/dbraw/zinc/41/60/90/983416090.db2.gz APIFWSMPVUKEGD-UHFFFAOYSA-N -1 0 336.329 2.349 20 5 EEBDRM CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC001596208401 983598233 /nfs/dbraw/zinc/59/82/33/983598233.db2.gz UWJBHKCZFZQMBB-UHFFFAOYSA-N -1 0 343.767 2.372 20 5 EEBDRM CCOC(=O)[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC001596576206 984483177 /nfs/dbraw/zinc/48/31/77/984483177.db2.gz OYGMEFGPXWUFKO-LLVKDONJSA-N -1 0 336.344 2.381 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001589002360 984948264 /nfs/dbraw/zinc/94/82/64/984948264.db2.gz QGAGUTPMDVYTKD-AORWBKJGSA-N -1 0 336.369 2.027 20 5 EEBDRM CCOC(=O)c1ccnc(NCC(C)(C)CC(=O)[O-])c1[N+](=O)[O-] ZINC001596733007 985013858 /nfs/dbraw/zinc/01/38/58/985013858.db2.gz QIWMTLUDSHASGE-UHFFFAOYSA-N -1 0 325.321 2.079 20 5 EEBDRM C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC001599932239 985335506 /nfs/dbraw/zinc/33/55/06/985335506.db2.gz BWBKEDFOYVPRHU-CPCISQLKSA-N -1 0 334.250 2.292 20 5 EEBDRM CC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001589121125 985392433 /nfs/dbraw/zinc/39/24/33/985392433.db2.gz KPJKPSBECSQNKC-UHFFFAOYSA-N -1 0 341.751 2.051 20 5 EEBDRM CC(=O)NCc1ccc(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001589149645 985465441 /nfs/dbraw/zinc/46/54/41/985465441.db2.gz FBPRBRYKRCRKAF-UHFFFAOYSA-N -1 0 330.300 2.068 20 5 EEBDRM CC(=O)c1ccc(N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001589289865 986022503 /nfs/dbraw/zinc/02/25/03/986022503.db2.gz DLJBEHFTLQIFEZ-SMDDNHRTSA-N -1 0 336.344 2.479 20 5 EEBDRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])nc1)c1ccc([N+](=O)[O-])cc1F ZINC001589415120 986641283 /nfs/dbraw/zinc/64/12/83/986641283.db2.gz ODJOTFXEMAUNMH-VIFPVBQESA-N -1 0 347.302 2.247 20 5 EEBDRM CC(C)(C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001589581040 987361642 /nfs/dbraw/zinc/36/16/42/987361642.db2.gz XEIMEGXFMXRZKC-RQJABVFESA-N -1 0 332.356 2.098 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C(=O)[O-] ZINC001597320143 987446723 /nfs/dbraw/zinc/44/67/23/987446723.db2.gz DUXVFIFLONWINE-RRAGMBSWSA-N -1 0 347.730 2.199 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)c1[N+](=O)[O-] ZINC001597400319 987662504 /nfs/dbraw/zinc/66/25/04/987662504.db2.gz ZFZJPNKGPCFDMU-GFCCVEGCSA-N -1 0 346.343 2.135 20 5 EEBDRM CCn1cnc2c1ncnc2Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001597920911 989849453 /nfs/dbraw/zinc/84/94/53/989849453.db2.gz QWVFTMWWORFZLD-UHFFFAOYSA-N -1 0 329.272 2.245 20 5 EEBDRM COc1cccc([C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001599686301 990992391 /nfs/dbraw/zinc/99/23/91/990992391.db2.gz BKZLEWVNPRAWSL-INIZCTEOSA-N -1 0 344.323 2.088 20 5 EEBDRM CN(CCc1ccccn1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001598501635 992441742 /nfs/dbraw/zinc/44/17/42/992441742.db2.gz STIVNKUIWQZXDB-UHFFFAOYSA-N -1 0 346.299 2.275 20 5 EEBDRM CC(C)C[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001591450201 992556553 /nfs/dbraw/zinc/55/65/53/992556553.db2.gz IJGUPEXACOPGTG-RNCFNFMXSA-N -1 0 326.324 2.453 20 5 EEBDRM CN(Cc1cnc(C(=O)[O-])cn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001598532905 992807956 /nfs/dbraw/zinc/80/79/56/992807956.db2.gz KCIIKWXWXOHOFS-UHFFFAOYSA-N -1 0 336.735 2.368 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NCCc2ccco2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169758 994023024 /nfs/dbraw/zinc/02/30/24/994023024.db2.gz DXUAZTHKRHUNHZ-SNVBAGLBSA-N -1 0 347.327 2.045 20 5 EEBDRM C[C@](NC(=O)c1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593175878 994050723 /nfs/dbraw/zinc/05/07/23/994050723.db2.gz GEOMBBNDZXULTE-MRXNPFEDSA-N -1 0 332.287 2.464 20 5 EEBDRM C[C@](NC(=O)c1ncoc1C1CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593189455 994112942 /nfs/dbraw/zinc/11/29/42/994112942.db2.gz RIGWUYICXKSYMH-MRXNPFEDSA-N -1 0 345.311 2.190 20 5 EEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(C(=O)[O-])c(C)o1 ZINC001598656680 994533690 /nfs/dbraw/zinc/53/36/90/994533690.db2.gz GLPIEPIOMWPYSF-UHFFFAOYSA-N -1 0 333.300 2.166 20 5 EEBDRM CNc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC001598678806 994892866 /nfs/dbraw/zinc/89/28/66/994892866.db2.gz UXPXKABEDPMNJQ-CYBMUJFWSA-N -1 0 335.360 2.400 20 5 EEBDRM C[C@H](OC(=O)c1cc(C(=O)[O-])co1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001593556702 995646187 /nfs/dbraw/zinc/64/61/87/995646187.db2.gz VBRSNIVUSINBMU-QMMMGPOBSA-N -1 0 348.267 2.070 20 5 EEBDRM CON1CCC(Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001599319521 997556709 /nfs/dbraw/zinc/55/67/09/997556709.db2.gz CSXITZKLUCLEPJ-UHFFFAOYSA-N -1 0 329.740 2.384 20 5 EEBDRM C[C@@]1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CCC(=O)N1 ZINC001594033620 997621431 /nfs/dbraw/zinc/62/14/31/997621431.db2.gz ZNCOMNCZNGYJJB-ZDUSSCGKSA-N -1 0 327.724 2.027 20 5 EEBDRM COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001599427445 997701491 /nfs/dbraw/zinc/70/14/91/997701491.db2.gz SLESKMUQRAVDQN-LBPRGKRZSA-N -1 0 340.332 2.232 20 5 EEBDRM COc1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])c(C(=O)[O-])cc1OC ZINC001599430857 997755379 /nfs/dbraw/zinc/75/53/79/997755379.db2.gz DOCJZXYMGGWDPC-UHFFFAOYSA-N -1 0 340.332 2.176 20 5 EEBDRM COc1cc(OC(=O)COc2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC001599445089 997995655 /nfs/dbraw/zinc/99/56/55/997995655.db2.gz AFLYZLUUGGYOQB-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM COCC(=O)Nc1ccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599142538 998156436 /nfs/dbraw/zinc/15/64/36/998156436.db2.gz HGYVWTLAPRAYMX-UHFFFAOYSA-N -1 0 346.299 2.017 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CCCC(=O)[O-])cc1C ZINC000275010467 201275791 /nfs/dbraw/zinc/27/57/91/201275791.db2.gz PXPBHVKHJDFADZ-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C(=O)[O-])C1 ZINC000263105942 245329869 /nfs/dbraw/zinc/32/98/69/245329869.db2.gz UJTQYLVOFKYORT-BONVTDFDSA-N -1 0 345.355 2.330 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045622491 204329426 /nfs/dbraw/zinc/32/94/26/204329426.db2.gz DMFYQJMFEBPMED-SNVBAGLBSA-N -1 0 345.149 2.293 20 5 EEBDRM O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000133803454 205379452 /nfs/dbraw/zinc/37/94/52/205379452.db2.gz LVJOCXBRZINTIM-UHFFFAOYSA-N -1 0 347.293 2.057 20 5 EEBDRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492115245 246307581 /nfs/dbraw/zinc/30/75/81/246307581.db2.gz DKWMQSXCUGTZQW-NPQIQWPPSA-N -1 0 348.355 2.090 20 5 EEBDRM CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000495047106 247057301 /nfs/dbraw/zinc/05/73/01/247057301.db2.gz KXBDYPTWCGNMHV-JTQLQIEISA-N -1 0 337.332 2.107 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013278371 207378211 /nfs/dbraw/zinc/37/82/11/207378211.db2.gz AFKVMMYXGXBVAI-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM CCCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(=O)[O-] ZINC000262462319 152281558 /nfs/dbraw/zinc/28/15/58/152281558.db2.gz KWGOBFYZMAGPGV-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM COc1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000263102564 152374460 /nfs/dbraw/zinc/37/44/60/152374460.db2.gz BBPHOIITHSPUCM-JOYOIKCWSA-N -1 0 336.344 2.095 20 5 EEBDRM CCCc1cnc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])s1 ZINC000345194603 161280547 /nfs/dbraw/zinc/28/05/47/161280547.db2.gz RZCYYCILFSEQBF-UHFFFAOYSA-N -1 0 345.406 2.021 20 5 EEBDRM COCCNc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000151019007 292469115 /nfs/dbraw/zinc/46/91/15/292469115.db2.gz DTMWKDXLIZTRCH-UHFFFAOYSA-N -1 0 345.355 2.289 20 5 EEBDRM CCc1ccc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1C ZINC000354222574 162798930 /nfs/dbraw/zinc/79/89/30/162798930.db2.gz PDTUERUHQHZEJB-UHFFFAOYSA-N -1 0 338.389 2.483 20 5 EEBDRM CC(C)(NC(=O)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000359359620 164119603 /nfs/dbraw/zinc/11/96/03/164119603.db2.gz JWENKGVWUUQFBM-UHFFFAOYSA-N -1 0 343.339 2.448 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CCSC2)c1 ZINC000286156390 274842544 /nfs/dbraw/zinc/84/25/44/274842544.db2.gz XSUUPXOMVQPHLT-LURJTMIESA-N -1 0 340.785 2.171 20 5 EEBDRM O=[N+]([O-])c1ccc(C=C([O-])Nc2nc(-c3cccnc3)ns2)cc1 ZINC000339599133 274978130 /nfs/dbraw/zinc/97/81/30/274978130.db2.gz QTFCPLPFHOUQJR-UHFFFAOYSA-N -1 0 341.352 2.111 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000287656345 274980691 /nfs/dbraw/zinc/98/06/91/274980691.db2.gz BFRIUFFFLVTFNG-CYBMUJFWSA-N -1 0 348.277 2.220 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000262130146 282048456 /nfs/dbraw/zinc/04/84/56/282048456.db2.gz QNVVISHGSVMZBA-UHFFFAOYSA-N -1 0 337.376 2.181 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000263375190 300473059 /nfs/dbraw/zinc/47/30/59/300473059.db2.gz WLJFSZSHSMVGPM-IUCAKERBSA-N -1 0 326.736 2.431 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)NC(C)(C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000263563910 301197907 /nfs/dbraw/zinc/19/79/07/301197907.db2.gz UMEBPVHYPUHQSW-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1NC(N)=O ZINC000436820292 315001825 /nfs/dbraw/zinc/00/18/25/315001825.db2.gz GJSSCRSQCMRMMX-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1OC ZINC000436860424 315007529 /nfs/dbraw/zinc/00/75/29/315007529.db2.gz GFBIVBSAVOBBBF-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])CC2 ZINC000436891717 315010120 /nfs/dbraw/zinc/01/01/20/315010120.db2.gz YMPRAROKROFRIY-GFCCVEGCSA-N -1 0 344.371 2.365 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000436917380 315012852 /nfs/dbraw/zinc/01/28/52/315012852.db2.gz XLDNSKUTBDKMOE-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM O=C([O-])c1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000519637953 316804046 /nfs/dbraw/zinc/80/40/46/316804046.db2.gz DVZODEXCJLIXRW-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM Cc1ccc(CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])o1 ZINC000521772110 316930272 /nfs/dbraw/zinc/93/02/72/316930272.db2.gz NQRUVOAQYRRMHS-UHFFFAOYSA-N -1 0 328.321 2.156 20 5 EEBDRM COC(=O)CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000532029570 317836224 /nfs/dbraw/zinc/83/62/24/317836224.db2.gz YOYMDBIFJVPCPZ-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-] ZINC000548543635 318395391 /nfs/dbraw/zinc/39/53/91/318395391.db2.gz WLNVTDWYBKYSAD-LLVKDONJSA-N -1 0 344.389 2.084 20 5 EEBDRM Cn1cc([C@@H]2N(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2(C)C)cn1 ZINC000560565248 318802311 /nfs/dbraw/zinc/80/23/11/318802311.db2.gz ZLWIMGBQBULBCF-AWEZNQCLSA-N -1 0 330.344 2.257 20 5 EEBDRM O=C(N[C@H]1CCO[C@H]1C1CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563192831 318981988 /nfs/dbraw/zinc/98/19/88/318981988.db2.gz ANTCXSHUPZVKEY-GWCFXTLKSA-N -1 0 326.736 2.251 20 5 EEBDRM Cn1cc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2(C)C)cn1 ZINC000563399067 319006769 /nfs/dbraw/zinc/00/67/69/319006769.db2.gz RNWQQTNAINJFPF-CYBMUJFWSA-N -1 0 344.371 2.300 20 5 EEBDRM Cc1cc(C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000563776312 319042531 /nfs/dbraw/zinc/04/25/31/319042531.db2.gz ZYYLCHINWQLMEL-UHFFFAOYSA-N -1 0 340.335 2.255 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000565033803 319141669 /nfs/dbraw/zinc/14/16/69/319141669.db2.gz CCDAIZUOSCSBAB-ZDUSSCGKSA-N -1 0 343.339 2.136 20 5 EEBDRM C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000566179246 319256852 /nfs/dbraw/zinc/25/68/52/319256852.db2.gz KLABXSSVUZBQML-CABZTGNLSA-N -1 0 342.373 2.150 20 5 EEBDRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000567292157 319366903 /nfs/dbraw/zinc/36/69/03/319366903.db2.gz GZFQTZHZKYWKBF-MGCOHNPYSA-N -1 0 347.352 2.311 20 5 EEBDRM CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CCCCC1 ZINC000567803276 319420817 /nfs/dbraw/zinc/42/08/17/319420817.db2.gz WHXLKSHDYBBHQA-UHFFFAOYSA-N -1 0 342.373 2.294 20 5 EEBDRM COc1cccc(C(=O)N2CCC(CCC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000568719314 319511986 /nfs/dbraw/zinc/51/19/86/319511986.db2.gz WLJKSQVRZNAJPL-UHFFFAOYSA-N -1 0 336.344 2.320 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000570042402 319631191 /nfs/dbraw/zinc/63/11/91/319631191.db2.gz LAQJTRZEHYASPM-AWEZNQCLSA-N -1 0 344.389 2.071 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000573178186 319910248 /nfs/dbraw/zinc/91/02/48/319910248.db2.gz BSSOHLLXVDFALP-CQSZACIVSA-N -1 0 336.344 2.152 20 5 EEBDRM CNc1ccc(C(=O)NCC2(C(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC000574626852 320042298 /nfs/dbraw/zinc/04/22/98/320042298.db2.gz PRXWNOBAFBHUNN-UHFFFAOYSA-N -1 0 335.360 2.401 20 5 EEBDRM C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000574990478 320077590 /nfs/dbraw/zinc/07/75/90/320077590.db2.gz ALCCCOSWJWJNPM-DTWKUNHWSA-N -1 0 327.768 2.118 20 5 EEBDRM Cc1cc(N2CCO[C@@H](C(=O)[O-])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580292006 324031489 /nfs/dbraw/zinc/03/14/89/324031489.db2.gz GIRAMRUQHLINOJ-LLVKDONJSA-N -1 0 334.250 2.212 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000583027677 324577873 /nfs/dbraw/zinc/57/78/73/324577873.db2.gz YXLMUZGLPRYSJT-CQSZACIVSA-N -1 0 329.312 2.266 20 5 EEBDRM CCOC(=O)[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000339075442 465067812 /nfs/dbraw/zinc/06/78/12/465067812.db2.gz PAPFLNGVBZJHRZ-MRXNPFEDSA-N -1 0 346.339 2.400 20 5 EEBDRM C[C@H](c1ccccc1)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(N)=O ZINC000339210544 465143577 /nfs/dbraw/zinc/14/35/77/465143577.db2.gz MHYNIRYEFPZHFW-BDJLRTHQSA-N -1 0 329.356 2.048 20 5 EEBDRM O=C(NC[C@@H]1CCCC[C@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000579010413 468297173 /nfs/dbraw/zinc/29/71/73/468297173.db2.gz OSLIUYWQROFXBN-QPUJVOFHSA-N -1 0 328.752 2.235 20 5 EEBDRM COc1ccccc1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000013255314 462888464 /nfs/dbraw/zinc/88/84/64/462888464.db2.gz MHNLQIZFQFSMKJ-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cnn1C1CCOCC1 ZINC000092546141 462960785 /nfs/dbraw/zinc/96/07/85/462960785.db2.gz DUEVXLXDYPNZSJ-UHFFFAOYSA-N -1 0 346.343 2.409 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCn2cncc2C1 ZINC000097114567 463329816 /nfs/dbraw/zinc/32/98/16/463329816.db2.gz SXXJNQFHKLDHBR-MRVPVSSYSA-N -1 0 336.735 2.351 20 5 EEBDRM CC(=O)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000140198405 463339164 /nfs/dbraw/zinc/33/91/64/463339164.db2.gz MOPROKVKZJETPI-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000152049350 463636425 /nfs/dbraw/zinc/63/64/25/463636425.db2.gz LSRRYCOHPMCPRO-NWDGAFQWSA-N -1 0 349.387 2.114 20 5 EEBDRM Cc1ccsc1CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000085274075 463643599 /nfs/dbraw/zinc/64/35/99/463643599.db2.gz QEPVBAANLQGEJA-UHFFFAOYSA-N -1 0 328.371 2.149 20 5 EEBDRM CCCN(CC(=O)[O-])c1ncc([N+](=O)[O-])c(C)c1Br ZINC000165660469 463645189 /nfs/dbraw/zinc/64/51/89/463645189.db2.gz ZQDIKVHGUFRMFF-UHFFFAOYSA-N -1 0 332.154 2.362 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000194739975 463920824 /nfs/dbraw/zinc/92/08/24/463920824.db2.gz JGBRLMWSAXWOPH-UHFFFAOYSA-N -1 0 340.361 2.348 20 5 EEBDRM CC(C)CO[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000262072359 463940518 /nfs/dbraw/zinc/94/05/18/463940518.db2.gz FQYRJWPVCTVTQB-CQSZACIVSA-N -1 0 336.344 2.180 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000262147197 463957955 /nfs/dbraw/zinc/95/79/55/463957955.db2.gz LBXHZBPETBYPNV-BONVTDFDSA-N -1 0 338.385 2.399 20 5 EEBDRM Cc1nn(CCC(=O)Nc2ccc(CC(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000262275844 463988741 /nfs/dbraw/zinc/98/87/41/463988741.db2.gz JLFNIPYVJTYLSR-UHFFFAOYSA-N -1 0 346.343 2.064 20 5 EEBDRM COc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000263282838 464077079 /nfs/dbraw/zinc/07/70/79/464077079.db2.gz XOWWGOMVDOVTQA-GXSJLCMTSA-N -1 0 336.344 2.237 20 5 EEBDRM Cc1ccc(NCCCNC(=O)c2ccc(C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000237668719 464361515 /nfs/dbraw/zinc/36/15/15/464361515.db2.gz XEEVMPYWXPMWDB-UHFFFAOYSA-N -1 0 347.327 2.426 20 5 EEBDRM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180784545 464394315 /nfs/dbraw/zinc/39/43/15/464394315.db2.gz FBMYTKXTMGYDPE-SSDOTTSWSA-N -1 0 343.767 2.443 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1[N+](=O)[O-] ZINC000174769338 464448812 /nfs/dbraw/zinc/44/88/12/464448812.db2.gz ZWVFJYFHFHASOT-UHFFFAOYSA-N -1 0 336.373 2.311 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000181892130 464536097 /nfs/dbraw/zinc/53/60/97/464536097.db2.gz DEBROUIXDMIYGD-SECBINFHSA-N -1 0 341.323 2.286 20 5 EEBDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000176716540 464832272 /nfs/dbraw/zinc/83/22/72/464832272.db2.gz OZTVUDJGKXBZQN-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCOC3(CCC3)C2)cc([N+](=O)[O-])c1 ZINC000597158798 468463900 /nfs/dbraw/zinc/46/39/00/468463900.db2.gz GARNLGNALIITED-GFCCVEGCSA-N -1 0 334.328 2.125 20 5 EEBDRM CO[C@H]1C[C@@H](N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C12CCC2 ZINC000597160656 468464781 /nfs/dbraw/zinc/46/47/81/468464781.db2.gz IGOKFLLWRHIFMW-KGLIPLIRSA-N -1 0 348.355 2.323 20 5 EEBDRM C[C@H]1CCCN(c2ccc(C(=O)NCCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000357392876 466000942 /nfs/dbraw/zinc/00/09/42/466000942.db2.gz PAYASDIPYLWMAL-NSHDSACASA-N -1 0 335.360 2.036 20 5 EEBDRM Cc1ccc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000331873831 466285134 /nfs/dbraw/zinc/28/51/34/466285134.db2.gz HJLHEFHCIXBTJO-NSHDSACASA-N -1 0 331.332 2.094 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1cc(F)cc(F)c1 ZINC000346980319 466295051 /nfs/dbraw/zinc/29/50/51/466295051.db2.gz VMIBGGZXZWDAHQ-UHFFFAOYSA-N -1 0 346.286 2.491 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCOCC1CCCC1 ZINC000313348093 466538687 /nfs/dbraw/zinc/53/86/87/466538687.db2.gz HTSANPJNYFDHIX-UHFFFAOYSA-N -1 0 346.380 2.219 20 5 EEBDRM O=C([O-])c1cccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000347378366 466599137 /nfs/dbraw/zinc/59/91/37/466599137.db2.gz FRQJCDIITVJOBU-UHFFFAOYSA-N -1 0 326.308 2.425 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000435730064 467491846 /nfs/dbraw/zinc/49/18/46/467491846.db2.gz WKIAYNIGSJSLLU-UHFFFAOYSA-N -1 0 348.743 2.405 20 5 EEBDRM O=C(Nc1n[nH]c(-c2ccccc2F)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436777436 467554330 /nfs/dbraw/zinc/55/43/30/467554330.db2.gz NBJNMYKGRDNILX-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@@H](CO)Cc2ccccc21 ZINC000590407049 468247723 /nfs/dbraw/zinc/24/77/23/468247723.db2.gz NBRGVOLRTFJQHY-NSHDSACASA-N -1 0 328.324 2.112 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000583027439 468632437 /nfs/dbraw/zinc/63/24/37/468632437.db2.gz OGPKGLACNPOSSD-KRWDZBQOSA-N -1 0 345.355 2.461 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000595245410 468791656 /nfs/dbraw/zinc/79/16/56/468791656.db2.gz OIQGAFXOAUJVEE-KCQAQPDRSA-N -1 0 347.371 2.404 20 5 EEBDRM COCCN(Cc1cncs1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000584056486 468793551 /nfs/dbraw/zinc/79/35/51/468793551.db2.gz SFLWXZHFJDUFCJ-UHFFFAOYSA-N -1 0 337.357 2.403 20 5 EEBDRM C[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595280746 468799371 /nfs/dbraw/zinc/79/93/71/468799371.db2.gz ZVCVKTIOWHDACB-HTQZYQBOSA-N -1 0 349.265 2.234 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCOc3cc(O)ccc3C2)n1 ZINC000584234456 468826220 /nfs/dbraw/zinc/82/62/20/468826220.db2.gz DBGFMVZCDDUOOP-UHFFFAOYSA-N -1 0 345.311 2.101 20 5 EEBDRM Cn1ccnc1[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000592980160 468833261 /nfs/dbraw/zinc/83/32/61/468833261.db2.gz HMQVXOBGUHAFTJ-SMDDNHRTSA-N -1 0 346.343 2.359 20 5 EEBDRM CCC[C@](C)(NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000584348799 468851451 /nfs/dbraw/zinc/85/14/51/468851451.db2.gz KYOZTNILQZJAHF-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000598660973 468949627 /nfs/dbraw/zinc/94/96/27/468949627.db2.gz AUYLSEHBHJAVQL-GTNSWQLSSA-N -1 0 348.355 2.320 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000595972914 469103409 /nfs/dbraw/zinc/10/34/09/469103409.db2.gz BIAZSFGECNKZMR-JTQLQIEISA-N -1 0 346.343 2.325 20 5 EEBDRM Cc1ccc(NCCCNC(=O)[C@]2(C(=O)[O-])CC2(C)C)c([N+](=O)[O-])c1 ZINC000595989067 469107260 /nfs/dbraw/zinc/10/72/60/469107260.db2.gz LXJGMEYPYYPCSJ-KRWDZBQOSA-N -1 0 349.387 2.322 20 5 EEBDRM O=[N+]([O-])c1ccccc1CCN=c1nc(C2CCOCC2)[n-]s1 ZINC000596137692 469172124 /nfs/dbraw/zinc/17/21/24/469172124.db2.gz BURJBTWQISFULU-UHFFFAOYSA-N -1 0 334.401 2.417 20 5 EEBDRM COc1ccc(COCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000611165201 469178417 /nfs/dbraw/zinc/17/84/17/469178417.db2.gz HWDWYPRPESZAEB-UHFFFAOYSA-N -1 0 332.312 2.464 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCCc3occc32)ccc1[O-] ZINC000603492750 469403091 /nfs/dbraw/zinc/40/30/91/469403091.db2.gz FXCBGIBNPZGCAL-LLVKDONJSA-N -1 0 338.341 2.249 20 5 EEBDRM CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000604369837 469473820 /nfs/dbraw/zinc/47/38/20/469473820.db2.gz YNQWQAXJQATADP-UHFFFAOYSA-N -1 0 344.295 2.404 20 5 EEBDRM O=C([O-])CN(CC1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000617700138 469763146 /nfs/dbraw/zinc/76/31/46/469763146.db2.gz OZHFFGTZLCWKMN-UHFFFAOYSA-N -1 0 326.736 2.114 20 5 EEBDRM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000618250268 469940084 /nfs/dbraw/zinc/94/00/84/469940084.db2.gz UKDJKLGVTPQYRH-CYBMUJFWSA-N -1 0 328.324 2.293 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC000738305892 576295874 /nfs/dbraw/zinc/29/58/74/576295874.db2.gz SJJRGPHWNTVDCU-LLVKDONJSA-N -1 0 339.304 2.041 20 5 EEBDRM O=C(Nc1n[nH]c(-c2cccs2)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772809837 577298990 /nfs/dbraw/zinc/29/89/90/577298990.db2.gz ZIYBBMKKFMSXQJ-UHFFFAOYSA-N -1 0 331.313 2.399 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000734703940 577321973 /nfs/dbraw/zinc/32/19/73/577321973.db2.gz JYGQIOHTDCHLQX-JTQLQIEISA-N -1 0 328.390 2.223 20 5 EEBDRM Cc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000758430204 577624658 /nfs/dbraw/zinc/62/46/58/577624658.db2.gz XFUFDQZPEKNGIO-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCc3c2cccc3O)cc([N+](=O)[O-])c1 ZINC000738673997 578023467 /nfs/dbraw/zinc/02/34/67/578023467.db2.gz WCIZEILSZGFCFP-CQSZACIVSA-N -1 0 342.307 2.416 20 5 EEBDRM Cc1noc(CCCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000738947675 578032143 /nfs/dbraw/zinc/03/21/43/578032143.db2.gz NGAZPOGBJNDHTD-FNORWQNLSA-N -1 0 332.316 2.429 20 5 EEBDRM O=C([O-])c1cccc(CS(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000740225292 578086302 /nfs/dbraw/zinc/08/63/02/578086302.db2.gz HPPBXVKRGONFRV-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000736852636 578227032 /nfs/dbraw/zinc/22/70/32/578227032.db2.gz OATYUGXAFRTCCR-CQSZACIVSA-N -1 0 346.343 2.078 20 5 EEBDRM CC[C@@](C)(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736861295 578227188 /nfs/dbraw/zinc/22/71/88/578227188.db2.gz JDBUZPMXEACNKB-CQSZACIVSA-N -1 0 344.751 2.387 20 5 EEBDRM CCCc1[nH]nc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000737039004 578234411 /nfs/dbraw/zinc/23/44/11/578234411.db2.gz KJYAECRQMPEUSL-UHFFFAOYSA-N -1 0 347.331 2.290 20 5 EEBDRM CCO[C@H](C)c1noc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC000737156094 578241449 /nfs/dbraw/zinc/24/14/49/578241449.db2.gz CFJVURQKFYLOBG-MRVPVSSYSA-N -1 0 337.288 2.353 20 5 EEBDRM O=C([O-])CCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000821518098 598165587 /nfs/dbraw/zinc/16/55/87/598165587.db2.gz VMOKPAAOYLSAOR-UHFFFAOYSA-N -1 0 349.387 2.182 20 5 EEBDRM CC(C)[C@](C)(O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826676052 600802360 /nfs/dbraw/zinc/80/23/60/600802360.db2.gz AODXFAXPRLHUFW-CYBMUJFWSA-N -1 0 327.293 2.020 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000828634529 601134453 /nfs/dbraw/zinc/13/44/53/601134453.db2.gz RATLJYVANCFHIK-AWEZNQCLSA-N -1 0 339.304 2.185 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCCOc2ccccc2[N+](=O)[O-])C1 ZINC000833186989 601183595 /nfs/dbraw/zinc/18/35/95/601183595.db2.gz HMHJGXVNUGAWDK-NEPJUHHUSA-N -1 0 337.328 2.408 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000833111793 601184364 /nfs/dbraw/zinc/18/43/64/601184364.db2.gz GLACQTOXOSWHAU-NWDGAFQWSA-N -1 0 335.312 2.212 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(C(=O)[O-])nc1 ZINC000830094678 601188908 /nfs/dbraw/zinc/18/89/08/601188908.db2.gz XFDZRPJIELPCTD-UHFFFAOYSA-N -1 0 346.295 2.444 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)C(=O)[O-] ZINC000827890572 601712513 /nfs/dbraw/zinc/71/25/13/601712513.db2.gz URCXLVPLCBSQKT-QMMMGPOBSA-N -1 0 344.751 2.243 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000833324168 602172034 /nfs/dbraw/zinc/17/20/34/602172034.db2.gz JMEPFYDNESCULP-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM O=C([O-])c1cc(OS(=O)(=O)CC2CCCC2)ccc1[N+](=O)[O-] ZINC000833300347 602207471 /nfs/dbraw/zinc/20/74/71/602207471.db2.gz CVLQABNFSYWFPQ-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM C[C@@H]1C[C@@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833599046 604718224 /nfs/dbraw/zinc/71/82/24/604718224.db2.gz VSNZLKBQMDYWBS-SFYZADRCSA-N -1 0 325.277 2.181 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000833770093 604734349 /nfs/dbraw/zinc/73/43/49/604734349.db2.gz WKDCJJCCFBAPRG-GFCCVEGCSA-N -1 0 331.687 2.279 20 5 EEBDRM C[C@@]1(CCCO)CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833564601 604779760 /nfs/dbraw/zinc/77/97/60/604779760.db2.gz VZGBLTFZPHCDED-INIZCTEOSA-N -1 0 336.344 2.060 20 5 EEBDRM CCc1[nH]c(C(=O)NCCc2cccc([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC000833667119 604865587 /nfs/dbraw/zinc/86/55/87/604865587.db2.gz CROVWJRRQWUNBJ-UHFFFAOYSA-N -1 0 345.355 2.464 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000833423152 605293496 /nfs/dbraw/zinc/29/34/96/605293496.db2.gz MFLOKSMCILKNSD-JTQLQIEISA-N -1 0 330.287 2.302 20 5 EEBDRM O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1[N-]c1ccn(-c2ccccc2)n1 ZINC000823630111 606707538 /nfs/dbraw/zinc/70/75/38/606707538.db2.gz SBNICLPFOKGLKR-UHFFFAOYSA-N -1 0 349.314 2.099 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1C(C)(C)C1(C)C ZINC000177606948 675924482 /nfs/dbraw/zinc/92/44/82/675924482.db2.gz PVPDMSRKTCRJNC-UHFFFAOYSA-N -1 0 340.401 2.390 20 5 EEBDRM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263298041 689638774 /nfs/dbraw/zinc/63/87/74/689638774.db2.gz ZUQUADTWNOKNKW-IUCAKERBSA-N -1 0 344.751 2.195 20 5 EEBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000877774501 1200086895 /nfs/dbraw/zinc/08/68/95/1200086895.db2.gz CPVUVGNVKJYCRE-NSHDSACASA-N -1 0 337.323 2.299 20 5 EEBDRM CCC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000813061995 1201074820 /nfs/dbraw/zinc/07/48/20/1201074820.db2.gz ZJTUUBSGUVBVFG-ZYHUDNBSSA-N -1 0 326.374 2.144 20 5 EEBDRM O=C([O-])[C@@H]1COCCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000901989831 1236790627 /nfs/dbraw/zinc/79/06/27/1236790627.db2.gz ZCKZWVOWLTWVGA-JTQLQIEISA-N -1 0 335.143 2.187 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000115924390 1294038705 /nfs/dbraw/zinc/03/87/05/1294038705.db2.gz GTYRAEMVVCSDDS-UHFFFAOYSA-N -1 0 340.382 2.012 20 5 EEBDRM CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])OC2=O ZINC000860439275 1294970838 /nfs/dbraw/zinc/97/08/38/1294970838.db2.gz OPPVEFLIJGYABP-JKSUJKDBSA-N -1 0 334.328 2.361 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@](O)(c2ccccc2)C1 ZINC000862800248 1295967403 /nfs/dbraw/zinc/96/74/03/1295967403.db2.gz DDIOGGYTNZGCQQ-SFHVURJKSA-N -1 0 342.351 2.424 20 5 EEBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000005584309 1296022149 /nfs/dbraw/zinc/02/21/49/1296022149.db2.gz XSIJXDFVUUKEHK-UHFFFAOYSA-N -1 0 341.276 2.443 20 5 EEBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CCF)c1 ZINC000863422382 1296274905 /nfs/dbraw/zinc/27/49/05/1296274905.db2.gz WXINOKPDRNPIDW-UHFFFAOYSA-N -1 0 346.315 2.009 20 5 EEBDRM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3cc([O-])ccc3[N+](=O)[O-])C2)nc1 ZINC001225490768 1301021300 /nfs/dbraw/zinc/02/13/00/1301021300.db2.gz JYEMKDIWPDCQDN-LBPRGKRZSA-N -1 0 346.299 2.261 20 5 EEBDRM CCCCOC[C@@H](C)OC[C@@H](C)Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226335667 1301363453 /nfs/dbraw/zinc/36/34/53/1301363453.db2.gz KMGFPNHQSRUPPC-GHMZBOCLSA-N -1 0 329.353 2.080 20 5 EEBDRM CCC(CC)[C@@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226648464 1301492488 /nfs/dbraw/zinc/49/24/88/1301492488.db2.gz FLZQBIWPGUCRFN-SECBINFHSA-N -1 0 327.337 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CCc3cccc(C)c32)c1[N+](=O)[O-] ZINC001226651920 1301495182 /nfs/dbraw/zinc/49/51/82/1301495182.db2.gz KLYJKZIEWFEIMC-SNVBAGLBSA-N -1 0 345.311 2.252 20 5 EEBDRM C[C@@H]1[C@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001228973520 1302554335 /nfs/dbraw/zinc/55/43/35/1302554335.db2.gz KFWQTQDNRQGSBP-PRHODGIISA-N -1 0 340.332 2.393 20 5 EEBDRM CCCSc1nc(O[C@@H]2CCn3ccnc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229796577 1302948641 /nfs/dbraw/zinc/94/86/41/1302948641.db2.gz MXTAYXJTIASTGF-MRVPVSSYSA-N -1 0 337.361 2.313 20 5 EEBDRM O=C([N-]N1Cc2ccccc2C1=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000782070127 1303943715 /nfs/dbraw/zinc/94/37/15/1303943715.db2.gz BWWJGCZXZYFHAR-UHFFFAOYSA-N -1 0 347.277 2.374 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c1 ZINC000835744274 1314945120 /nfs/dbraw/zinc/94/51/20/1314945120.db2.gz OWKZJKLNYWYYTE-SUNKGSAMSA-N -1 0 338.385 2.151 20 5 EEBDRM COc1ccc(Nc2ccc(N)c([N+](=O)[O-])c2)c(S(=O)(=O)[O-])c1 ZINC001209938329 1325104745 /nfs/dbraw/zinc/10/47/45/1325104745.db2.gz ULMGXNKWHUYIPE-UHFFFAOYSA-N -1 0 339.329 2.176 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C2 ZINC001608509887 1351706934 /nfs/dbraw/zinc/70/69/34/1351706934.db2.gz DSQPRVYXLFYTTB-VFZGTOFNSA-N -1 0 337.307 2.453 20 5 EEBDRM NC(=O)c1cc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC001601162178 1350223034 /nfs/dbraw/zinc/22/30/34/1350223034.db2.gz GVRQYMNFHDFXIP-OCCSQVGLSA-N -1 0 341.323 2.419 20 5 EEBDRM Nc1c(Cl)cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC001601209947 1350231886 /nfs/dbraw/zinc/23/18/86/1350231886.db2.gz BAUJIZHNZAHALV-CYBMUJFWSA-N -1 0 349.730 2.386 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC001602391548 1350509772 /nfs/dbraw/zinc/50/97/72/1350509772.db2.gz YBECGVSYMOQIOG-ZDUSSCGKSA-N -1 0 347.323 2.250 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001607709622 1351544010 /nfs/dbraw/zinc/54/40/10/1351544010.db2.gz LZAKOJPQTJLPJU-UHFFFAOYSA-N -1 0 333.300 2.255 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1COC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001608037871 1351612012 /nfs/dbraw/zinc/61/20/12/1351612012.db2.gz LEIGSARTBOWAFZ-UHFFFAOYSA-N -1 0 335.268 2.317 20 5 EEBDRM CCO[N-]C(=O)CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001307157648 1331511660 /nfs/dbraw/zinc/51/16/60/1331511660.db2.gz HDXLMAFGSUOBIW-UHFFFAOYSA-N -1 0 334.307 2.276 20 5 EEBDRM O=C([O-])C[C@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC001608701508 1351745001 /nfs/dbraw/zinc/74/50/01/1351745001.db2.gz GACOIYPXPLDCMF-VIFPVBQESA-N -1 0 334.250 2.294 20 5 EEBDRM O=C([O-])Cc1ccc(OC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC001608781901 1351762301 /nfs/dbraw/zinc/76/23/01/1351762301.db2.gz HONYNONGGJNYLK-UHFFFAOYSA-N -1 0 345.263 2.170 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC001608816507 1351770458 /nfs/dbraw/zinc/77/04/58/1351770458.db2.gz OEWRSCXZCHPMKX-VROVMSAKSA-N -1 0 325.708 2.043 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCc2cnc(Cl)cn2)cc([N+](=O)[O-])c1 ZINC001608838838 1351775703 /nfs/dbraw/zinc/77/57/03/1351775703.db2.gz YAYDEXALNGLGBS-UHFFFAOYSA-N -1 0 337.675 2.093 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc(CO)c(F)c2)cc([N+](=O)[O-])c1 ZINC001608855882 1351779768 /nfs/dbraw/zinc/77/97/68/1351779768.db2.gz ICDFXFAKDVBECE-UHFFFAOYSA-N -1 0 334.259 2.177 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001608908667 1351791781 /nfs/dbraw/zinc/79/17/81/1351791781.db2.gz POYFPRJEEQASBW-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccccc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001608944501 1351800058 /nfs/dbraw/zinc/80/00/58/1351800058.db2.gz DWSDZPBNBGBZAL-UHFFFAOYSA-N -1 0 340.295 2.099 20 5 EEBDRM O=C([O-])c1nn(Cc2csc(Br)c2)cc1[N+](=O)[O-] ZINC001609004391 1351812265 /nfs/dbraw/zinc/81/22/65/1351812265.db2.gz FSDWMDXMSLYLBX-UHFFFAOYSA-N -1 0 332.135 2.362 20 5 EEBDRM CC(=O)N1CC[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001609591083 1352029333 /nfs/dbraw/zinc/02/93/33/1352029333.db2.gz GYAYLDSYMQTKLG-SECBINFHSA-N -1 0 341.751 2.227 20 5 EEBDRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1ccc([N+](=O)[O-])cc1F ZINC001609636277 1352047722 /nfs/dbraw/zinc/04/77/22/1352047722.db2.gz RAPFIKUVIUVKTK-QMMMGPOBSA-N -1 0 336.275 2.445 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001609831619 1352096564 /nfs/dbraw/zinc/09/65/64/1352096564.db2.gz FLXFUMOOAGWLIN-CBAPKCEASA-N -1 0 344.270 2.131 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)=C1CCCC1 ZINC001343950575 1337358373 /nfs/dbraw/zinc/35/83/73/1337358373.db2.gz SEHSJDLQBLVQDY-UHFFFAOYSA-N -1 0 328.321 2.197 20 5 EEBDRM CCC1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001609946045 1352126517 /nfs/dbraw/zinc/12/65/17/1352126517.db2.gz IACKSIPNXIUQMQ-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001610080745 1352158081 /nfs/dbraw/zinc/15/80/81/1352158081.db2.gz YEHKSKYTQXHNKS-MRXNPFEDSA-N -1 0 345.359 2.174 20 5 EEBDRM COC(=O)[C@H](C)CN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001610151025 1352173389 /nfs/dbraw/zinc/17/33/89/1352173389.db2.gz VBENVCXCMFSEMD-SSDOTTSWSA-N -1 0 330.724 2.192 20 5 EEBDRM COC(=O)CC(C)(C)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610176408 1352179291 /nfs/dbraw/zinc/17/92/91/1352179291.db2.gz RHQAREOHSBGSFV-UHFFFAOYSA-N -1 0 338.316 2.211 20 5 EEBDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000847892899 1338367321 /nfs/dbraw/zinc/36/73/21/1338367321.db2.gz JYVYONBZFWNURI-JTQLQIEISA-N -1 0 343.405 2.257 20 5 EEBDRM COc1nc(NCCOc2ccc([N+](=O)[O-])cc2)ccc1C(=O)[O-] ZINC001610370489 1352212159 /nfs/dbraw/zinc/21/21/59/1352212159.db2.gz NBWMRRLBWZKMEW-UHFFFAOYSA-N -1 0 333.300 2.188 20 5 EEBDRM C[C@H]1SCCN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)[C@H]1C ZINC001355420258 1338715279 /nfs/dbraw/zinc/71/52/79/1338715279.db2.gz OHPPIYYRKZDBOW-VHSXEESVSA-N -1 0 349.416 2.426 20 5 EEBDRM O=C([O-])c1cccc(CC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001610675658 1352259693 /nfs/dbraw/zinc/25/96/93/1352259693.db2.gz HLLBZVSPBVROSD-UHFFFAOYSA-N -1 0 343.291 2.262 20 5 EEBDRM O=C([O-])c1ccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001610819326 1352280165 /nfs/dbraw/zinc/28/01/65/1352280165.db2.gz BZEAXPPTAURJLB-UHFFFAOYSA-N -1 0 329.264 2.333 20 5 EEBDRM O=C([O-])c1ccc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cc1 ZINC001610833204 1352282378 /nfs/dbraw/zinc/28/23/78/1352282378.db2.gz PXZLZOUFXCCJOK-UHFFFAOYSA-N -1 0 328.324 2.382 20 5 EEBDRM O=C([O-])c1nccnc1N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001610872953 1352288645 /nfs/dbraw/zinc/28/86/45/1352288645.db2.gz NODHRRSYPZFSJA-GFCCVEGCSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C(COc1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC001592888172 1349723231 /nfs/dbraw/zinc/72/32/31/1349723231.db2.gz JERIOJFMJOYEBR-UHFFFAOYSA-N -1 0 343.274 2.176 20 5 EEBDRM Cc1c(NC(=O)N2CCCOC[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600036759 1349959484 /nfs/dbraw/zinc/95/94/84/1349959484.db2.gz HQVFHDBJJHTVCJ-SECBINFHSA-N -1 0 337.332 2.244 20 5 EEBDRM Cc1c(NC(=O)N[C@](C)(CO)C(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039849 1349960126 /nfs/dbraw/zinc/96/01/26/1349960126.db2.gz JHYLVWAMMHHQHX-OAHLLOKOSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)nnn1C(C)C ZINC001600048733 1349962429 /nfs/dbraw/zinc/96/24/29/1349962429.db2.gz BXQLUNVEYPKMEP-UHFFFAOYSA-N -1 0 347.331 2.335 20 5 EEBDRM Cc1cc(CCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])nn1C ZINC001600189402 1349988763 /nfs/dbraw/zinc/98/87/63/1349988763.db2.gz WVSHSWBFBMSZFQ-GQCTYLIASA-N -1 0 330.344 2.389 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC001600219084 1349995603 /nfs/dbraw/zinc/99/56/03/1349995603.db2.gz OPXIIIHBRMVTKJ-ZDUSSCGKSA-N -1 0 344.776 2.247 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccnc(C(=O)[O-])c2)c1C ZINC001600487114 1350063299 /nfs/dbraw/zinc/06/32/99/1350063299.db2.gz RAXGQUKLBSRRSC-UHFFFAOYSA-N -1 0 329.312 2.235 20 5 EEBDRM Cc1ccc2nnc(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])n2c1 ZINC001600503572 1350068353 /nfs/dbraw/zinc/06/83/53/1350068353.db2.gz WDZIKKLIFSWDDC-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM Cc1cccc(OC[C@H](O)CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001600544728 1350078597 /nfs/dbraw/zinc/07/85/97/1350078597.db2.gz PZRXIRDQEMLOFF-CYBMUJFWSA-N -1 0 346.339 2.453 20 5 EEBDRM Cc1n[nH]c([C@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])C2)n1 ZINC001600696270 1350117870 /nfs/dbraw/zinc/11/78/70/1350117870.db2.gz CENLPPAKJHHNIA-JTQLQIEISA-N -1 0 331.332 2.022 20 5 EEBDRM Cc1oc(Cn2cc([N+](=O)[O-])nc2Br)cc1C(=O)[O-] ZINC001600853914 1350152552 /nfs/dbraw/zinc/15/25/52/1350152552.db2.gz JBWWZQKOMKBESP-UHFFFAOYSA-N -1 0 330.094 2.202 20 5 EEBDRM Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCC(C)(C)C(=O)[O-] ZINC001600920976 1350168974 /nfs/dbraw/zinc/16/89/74/1350168974.db2.gz WPVPSSLKUQNYRF-UHFFFAOYSA-N -1 0 337.357 2.045 20 5 EEBDRM Nc1c(C(=O)OCCc2ccccc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001601208061 1350231279 /nfs/dbraw/zinc/23/12/79/1350231279.db2.gz FAWHYNMSJOYFJY-UHFFFAOYSA-N -1 0 330.296 2.275 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)Cc2c[nH]c3cnccc23)cc1[N+](=O)[O-] ZINC001601353701 1350264150 /nfs/dbraw/zinc/26/41/50/1350264150.db2.gz WFGJWWCSTOFYRW-UHFFFAOYSA-N -1 0 341.279 2.317 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001601362326 1350266471 /nfs/dbraw/zinc/26/64/71/1350266471.db2.gz VFYMLAQBHJQCOD-OAHLLOKOSA-N -1 0 346.314 2.089 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)Cc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC001601373609 1350269213 /nfs/dbraw/zinc/26/92/13/1350269213.db2.gz DKUUBUWGIPIZMP-UHFFFAOYSA-N -1 0 341.279 2.089 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)CCO2 ZINC001601398368 1350274689 /nfs/dbraw/zinc/27/46/89/1350274689.db2.gz MUPGCGUJTIULPP-ZDUSSCGKSA-N -1 0 348.336 2.147 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccccn1 ZINC001601401537 1350275217 /nfs/dbraw/zinc/27/52/17/1350275217.db2.gz GRTNJUVWDNHHIQ-CQSZACIVSA-N -1 0 340.295 2.027 20 5 EEBDRM O=C([O-])C1=CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001601608901 1350318682 /nfs/dbraw/zinc/31/86/82/1350318682.db2.gz FVHWNPYLBDXEJX-SNVBAGLBSA-N -1 0 342.311 2.438 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@H]1Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC001601810700 1350369575 /nfs/dbraw/zinc/36/95/75/1350369575.db2.gz WCHDFPXEJHMVSD-WCQYABFASA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])c1ccc(F)c(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC001602365059 1350504866 /nfs/dbraw/zinc/50/48/66/1350504866.db2.gz XJQPPXSDTIHZKA-UHFFFAOYSA-N -1 0 332.243 2.388 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H](Oc3ccccc3)C2)n1 ZINC001602404083 1350511456 /nfs/dbraw/zinc/51/14/56/1350511456.db2.gz FZECRVALMZGINN-LBPRGKRZSA-N -1 0 329.312 2.346 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2cccc([N+](=O)[O-])c2)n1 ZINC001602405872 1350512071 /nfs/dbraw/zinc/51/20/71/1350512071.db2.gz SPKUKLCURYETHN-UHFFFAOYSA-N -1 0 332.272 2.251 20 5 EEBDRM O=C([O-])c1ccccc1CCn1cc(Br)c([N+](=O)[O-])n1 ZINC001602468037 1350524676 /nfs/dbraw/zinc/52/46/76/1350524676.db2.gz NPHHIFSABXWZTO-UHFFFAOYSA-N -1 0 340.133 2.495 20 5 EEBDRM CC(C)(C)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C(=O)[O-])n2)cc1 ZINC001603540604 1350717855 /nfs/dbraw/zinc/71/78/55/1350717855.db2.gz XCWAGEFGORWHAL-UHFFFAOYSA-N -1 0 346.343 2.426 20 5 EEBDRM CC(C)OC(=O)[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603907927 1350799644 /nfs/dbraw/zinc/79/96/44/1350799644.db2.gz LTSUCRUVKRLEIE-AWEZNQCLSA-N -1 0 336.344 2.209 20 5 EEBDRM CC(C)c1noc(CCC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001604027706 1350833165 /nfs/dbraw/zinc/83/31/65/1350833165.db2.gz LPPBVYBYKMNLAP-UHFFFAOYSA-N -1 0 349.299 2.338 20 5 EEBDRM CC(C)n1ccnc1C(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001604036570 1350835266 /nfs/dbraw/zinc/83/52/66/1350835266.db2.gz OOAJNLOOFUNFAT-UHFFFAOYSA-N -1 0 333.300 2.332 20 5 EEBDRM CCC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)[O-] ZINC001605199218 1351101209 /nfs/dbraw/zinc/10/12/09/1351101209.db2.gz YMOGTBBLOFHWDJ-OAHLLOKOSA-N -1 0 341.339 2.173 20 5 EEBDRM C[S@@](=O)c1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001607385247 1351484894 /nfs/dbraw/zinc/48/48/94/1351484894.db2.gz GOARHBMPZKUUFS-HSZRJFAPSA-N -1 0 335.341 2.038 20 5 EEBDRM Cc1cccn2cc(CCNc3nc(C(=O)[O-])ccc3[N+](=O)[O-])nc12 ZINC001607887375 1351579311 /nfs/dbraw/zinc/57/93/11/1351579311.db2.gz GHYULXUBIITZPA-UHFFFAOYSA-N -1 0 341.327 2.299 20 5 EEBDRM Cc1nc(Cn2cc([N+](=O)[O-])c(C(=O)[O-])n2)sc1Br ZINC001607961391 1351593567 /nfs/dbraw/zinc/59/35/67/1351593567.db2.gz RJZXJMPJPVOOGW-UHFFFAOYSA-N -1 0 347.150 2.065 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001607984362 1351597903 /nfs/dbraw/zinc/59/79/03/1351597903.db2.gz DYCLPWJBDDJSPT-BDJLRTHQSA-N -1 0 333.344 2.015 20 5 EEBDRM Nc1c(C(=O)NC2(CC(=O)[O-])CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001608267397 1351659419 /nfs/dbraw/zinc/65/94/19/1351659419.db2.gz ZKDOCOFWCQRJRS-UHFFFAOYSA-N -1 0 329.312 2.067 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001608274677 1351661104 /nfs/dbraw/zinc/66/11/04/1351661104.db2.gz QFAJSRBXFCFUBI-NSHDSACASA-N -1 0 335.360 2.188 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCC(=O)OCc2ccccc2)n1 ZINC001608312089 1351668954 /nfs/dbraw/zinc/66/89/54/1351668954.db2.gz YUBRRYZKJGENKC-UHFFFAOYSA-N -1 0 345.311 2.233 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC001608389326 1351684425 /nfs/dbraw/zinc/68/44/25/1351684425.db2.gz VCNNJOIIPNAFOW-LBPRGKRZSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([O-])c1cnc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC001608456186 1351698948 /nfs/dbraw/zinc/69/89/48/1351698948.db2.gz UVASBKMXTGRPMK-UHFFFAOYSA-N -1 0 336.329 2.114 20 5 EEBDRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000796826137 1371473815 /nfs/dbraw/zinc/47/38/15/1371473815.db2.gz KBMQWRQRHCNXLL-SECBINFHSA-N -1 0 332.353 2.365 20 5 EEBDRM CN1Cc2ccccc2[C@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606260186 1404777481 /nfs/dbraw/zinc/77/74/81/1404777481.db2.gz XSTQXJAYDBKERG-CQSZACIVSA-N -1 0 328.328 2.287 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@]2(O)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000844211507 788929796 /nfs/dbraw/zinc/92/97/96/788929796.db2.gz BJGPAACVOCQILU-GOSISDBHSA-N -1 0 342.351 2.468 20 5 EEBDRM Cc1cc(C)cc([C@@H](O)CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000844212571 788930825 /nfs/dbraw/zinc/93/08/25/788930825.db2.gz JCTUNLNYMAOMLU-AWEZNQCLSA-N -1 0 331.328 2.450 20 5 EEBDRM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1ccon1 ZINC000061685479 791378269 /nfs/dbraw/zinc/37/82/69/791378269.db2.gz OCAKHSFOLORQFA-UHFFFAOYSA-N -1 0 348.134 2.146 20 5 EEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccnn2C)cc1[N+](=O)[O-] ZINC000176578836 795356176 /nfs/dbraw/zinc/35/61/76/795356176.db2.gz DHTZCDVJHZOJES-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM O=C([O-])c1ccc(NCCn2nnc3ccccc32)cc1[N+](=O)[O-] ZINC001168929812 803540304 /nfs/dbraw/zinc/54/03/04/803540304.db2.gz LGETVCSTUCTFOE-UHFFFAOYSA-N -1 0 327.300 2.150 20 5 EEBDRM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000804488895 810896880 /nfs/dbraw/zinc/89/68/80/810896880.db2.gz VUKZJSKXRXMBDH-BDJLRTHQSA-N -1 0 330.340 2.461 20 5 EEBDRM Cc1ccc(C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000583969906 939794470 /nfs/dbraw/zinc/79/44/70/939794470.db2.gz QRPNUCWNANYRLD-UHFFFAOYSA-N -1 0 340.335 2.255 20 5 EEBDRM O=C([O-])c1n[nH]cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001594798163 953717058 /nfs/dbraw/zinc/71/70/58/953717058.db2.gz FNUYOAKOBUJDTC-UHFFFAOYSA-N -1 0 332.297 2.483 20 5 EEBDRM CC[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC001589536866 955164682 /nfs/dbraw/zinc/16/46/82/955164682.db2.gz BLLMPOFAUIGVBB-MRVPVSSYSA-N -1 0 329.740 2.158 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)[O-] ZINC001603047897 972110601 /nfs/dbraw/zinc/11/06/01/972110601.db2.gz BDSMVMVACPBDFT-AWEZNQCLSA-N -1 0 346.343 2.214 20 5 EEBDRM CC(C)[C@@H](CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001589051558 955665401 /nfs/dbraw/zinc/66/54/01/955665401.db2.gz BPRZGGMOSOBSQX-DGCLKSJQSA-N -1 0 337.376 2.354 20 5 EEBDRM C[C@H](CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001589055902 955693968 /nfs/dbraw/zinc/69/39/68/955693968.db2.gz AAYMFWAPUQIAII-UTUOFQBUSA-N -1 0 335.360 2.251 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000852960581 955898250 /nfs/dbraw/zinc/89/82/50/955898250.db2.gz JKGLIONKKDAJJW-LLVKDONJSA-N -1 0 326.736 2.479 20 5 EEBDRM O=C([O-])C1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCC1 ZINC000852959733 955899035 /nfs/dbraw/zinc/89/90/35/955899035.db2.gz WBVUQBVYPGKDIP-UHFFFAOYSA-N -1 0 344.726 2.301 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001589172266 956470214 /nfs/dbraw/zinc/47/02/14/956470214.db2.gz CXWSLAFOTAECIE-SSDOTTSWSA-N -1 0 336.329 2.135 20 5 EEBDRM Cc1cc(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)cc([N+](=O)[O-])c1 ZINC001594279175 957730839 /nfs/dbraw/zinc/73/08/39/957730839.db2.gz SVJPEMONYBJFBC-KDJCLPLCSA-N -1 0 348.355 2.045 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC001574776892 957765477 /nfs/dbraw/zinc/76/54/77/957765477.db2.gz NNBLMRHIRDJVDY-QWHCGFSZSA-N -1 0 338.747 2.431 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001573559183 959269886 /nfs/dbraw/zinc/26/98/86/959269886.db2.gz GGMOUJARPLSHEI-VIFPVBQESA-N -1 0 340.380 2.451 20 5 EEBDRM CCc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC001573952860 961652742 /nfs/dbraw/zinc/65/27/42/961652742.db2.gz MDLHGEWARLPYOE-HNNXBMFYSA-N -1 0 345.355 2.423 20 5 EEBDRM COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001574185673 962829437 /nfs/dbraw/zinc/82/94/37/962829437.db2.gz YUAVRCXYVAJRLH-MWLCHTKSSA-N -1 0 326.324 2.285 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001595201138 970326693 /nfs/dbraw/zinc/32/66/93/970326693.db2.gz VAHARCMRJNPPFO-CYBMUJFWSA-N -1 0 341.323 2.346 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001610372859 970733458 /nfs/dbraw/zinc/73/34/58/970733458.db2.gz SLDSFUHUUOYYCE-LBPRGKRZSA-N -1 0 325.321 2.224 20 5 EEBDRM C[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001605041873 972655313 /nfs/dbraw/zinc/65/53/13/972655313.db2.gz GZPYCCCMHPFPJB-SRVKXCTJSA-N -1 0 336.344 2.042 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001603360744 972828660 /nfs/dbraw/zinc/82/86/60/972828660.db2.gz XZFKYLBWIATCCA-WCQYABFASA-N -1 0 348.355 2.127 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1COC(=O)c1ccc(C(=O)[O-])cn1 ZINC001604739327 973948646 /nfs/dbraw/zinc/94/86/46/973948646.db2.gz RQNJLYUVMYIHAO-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001592192149 977140892 /nfs/dbraw/zinc/14/08/92/977140892.db2.gz DWUIMPBNKWFPNM-PVNVNXCXSA-N -1 0 342.735 2.161 20 5 EEBDRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001592216797 977284981 /nfs/dbraw/zinc/28/49/81/977284981.db2.gz KEJCJDSVOJFMPV-SSJHQANKSA-N -1 0 347.352 2.477 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccn1 ZINC001592305162 977670179 /nfs/dbraw/zinc/67/01/79/977670179.db2.gz XTVYTWKPIHLKDY-MRXNPFEDSA-N -1 0 347.302 2.249 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000864191380 979845376 /nfs/dbraw/zinc/84/53/76/979845376.db2.gz FXJBZWCCOLIGMU-UHFFFAOYSA-N -1 0 347.327 2.395 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@@H]3CSC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000864216046 979903672 /nfs/dbraw/zinc/90/36/72/979903672.db2.gz AIWUFGWWIMZSCB-BXKDBHETSA-N -1 0 336.369 2.118 20 5 EEBDRM C[C@](NC(=O)[C@@H]1CCCSC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593007262 980225235 /nfs/dbraw/zinc/22/52/35/980225235.db2.gz PLVJEXAMIUTOEH-MEBBXXQBSA-N -1 0 338.385 2.154 20 5 EEBDRM CC[C@@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001595317267 980490162 /nfs/dbraw/zinc/49/01/62/980490162.db2.gz POWPDTBBHNIYFS-JOYOIKCWSA-N -1 0 335.360 2.398 20 5 EEBDRM CCO[C@@H](C)c1noc(COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001596775596 985207737 /nfs/dbraw/zinc/20/77/37/985207737.db2.gz PYZGLJHVCSNMPW-QMMMGPOBSA-N -1 0 337.288 2.353 20 5 EEBDRM CCO[C@H]1C[C@]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596837821 985498881 /nfs/dbraw/zinc/49/88/81/985498881.db2.gz KTADUSDQXLJEHH-BBRMVZONSA-N -1 0 338.360 2.048 20 5 EEBDRM C[C@@H]([C@@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1F)[N+](=O)[O-] ZINC001589554042 987296649 /nfs/dbraw/zinc/29/66/49/987296649.db2.gz VVICHUFFJWEUHT-MPXOCVNLSA-N -1 0 325.292 2.186 20 5 EEBDRM CC(C)(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001589564462 987328242 /nfs/dbraw/zinc/32/82/42/987328242.db2.gz YLWCVTCTNTZVCY-LSDHHAIUSA-N -1 0 346.383 2.442 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001597942857 989920514 /nfs/dbraw/zinc/92/05/14/989920514.db2.gz GDQLBVFIJPZCBR-UHFFFAOYSA-N -1 0 344.331 2.306 20 5 EEBDRM CC(C)(C)c1noc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001590583337 990229185 /nfs/dbraw/zinc/22/91/85/990229185.db2.gz JJTVFDVJSYOVHT-UHFFFAOYSA-N -1 0 349.299 2.331 20 5 EEBDRM CC(C)(CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(=O)[O-] ZINC001590727259 990526523 /nfs/dbraw/zinc/52/65/23/990526523.db2.gz ZKQRHMKCEBYJPB-UHFFFAOYSA-N -1 0 330.728 2.063 20 5 EEBDRM COc1ccc(C(=O)[O-])c2c1CN(c1cccnc1[N+](=O)[O-])CC2 ZINC001599498430 997062854 /nfs/dbraw/zinc/06/28/54/997062854.db2.gz PJKQBRGCNSOGHU-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM CO[C@]1(C)CCCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599085580 997091098 /nfs/dbraw/zinc/09/10/98/997091098.db2.gz IABUMALTMVPEOD-CQSZACIVSA-N -1 0 339.304 2.207 20 5 EEBDRM COC(=O)[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001598903294 997214364 /nfs/dbraw/zinc/21/43/64/997214364.db2.gz CNWBZNNBAZDUMJ-OAHLLOKOSA-N -1 0 344.323 2.297 20 5 EEBDRM COC(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)o1 ZINC001598921031 997563773 /nfs/dbraw/zinc/56/37/73/997563773.db2.gz UQOVTRKQBSGJCQ-UHFFFAOYSA-N -1 0 348.267 2.233 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)/C=C\C(=O)[O-])cc1SC ZINC001599462447 998296932 /nfs/dbraw/zinc/29/69/32/998296932.db2.gz TYXJQMFSXPSVPB-PULIVWKDSA-N -1 0 340.357 2.084 20 5 EEBDRM COc1ccc(COC(=O)c2ccc(C(=O)[O-])nc2)cc1[N+](=O)[O-] ZINC001599575742 998439411 /nfs/dbraw/zinc/43/94/11/998439411.db2.gz NPUOBOHQXZJIIT-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COC(=O)c1cnc(NCC2(C(=O)[O-])CCCCC2)c([N+](=O)[O-])c1 ZINC001599010551 998894609 /nfs/dbraw/zinc/89/46/09/998894609.db2.gz WSHPFMUJAPGWEP-UHFFFAOYSA-N -1 0 337.332 2.223 20 5 EEBDRM CC1CC(CS(=O)(=O)Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001594243594 998926116 /nfs/dbraw/zinc/92/61/16/998926116.db2.gz PKISGRPSIIFFKX-UHFFFAOYSA-N -1 0 329.330 2.048 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](C(=O)[O-])C1 ZINC001594406638 999523386 /nfs/dbraw/zinc/52/33/86/999523386.db2.gz BJGAMRQJNORSEO-OTYXRUKQSA-N -1 0 331.328 2.401 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@H]1Cn1cc([N+](=O)[O-])nc1Br ZINC001608624262 1124107106 /nfs/dbraw/zinc/10/71/06/1124107106.db2.gz FEKSPUXYQPVBLX-YUMQZZPRSA-N -1 0 332.154 2.445 20 5 EEBDRM CCCC[C@@H](NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000262411895 282919134 /nfs/dbraw/zinc/91/91/34/282919134.db2.gz SNNDNAYQCARTIN-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000026539174 201060687 /nfs/dbraw/zinc/06/06/87/201060687.db2.gz HGIZPHOGWVZTBT-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1cccc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000192997211 239971317 /nfs/dbraw/zinc/97/13/17/239971317.db2.gz HKUFSMUVHHUQFS-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000456299678 244208506 /nfs/dbraw/zinc/20/85/06/244208506.db2.gz FDQIGJIYRCCBKT-CZUORRHYSA-N -1 0 343.339 2.346 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000262435868 244976293 /nfs/dbraw/zinc/97/62/93/244976293.db2.gz PDEDQYSNGFCCQM-UHFFFAOYSA-N -1 0 333.344 2.261 20 5 EEBDRM Cc1cc([C@@](C)(O)CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(C)o1 ZINC000174671936 207043411 /nfs/dbraw/zinc/04/34/11/207043411.db2.gz RISNVBNCEQBILG-INIZCTEOSA-N -1 0 334.328 2.148 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000190848521 256003094 /nfs/dbraw/zinc/00/30/94/256003094.db2.gz ASKCKUVWLSCPAJ-ZUZCIYMTSA-N -1 0 343.339 2.490 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCC[C@@H]1CCCCO1 ZINC000273717660 256321328 /nfs/dbraw/zinc/32/13/28/256321328.db2.gz LUEZBPXJEPSEOD-NSHDSACASA-N -1 0 346.380 2.362 20 5 EEBDRM CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000117081819 292236400 /nfs/dbraw/zinc/23/64/00/292236400.db2.gz JVQLRLQZCQIJLB-CMDGGOBGSA-N -1 0 326.374 2.143 20 5 EEBDRM CCCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(=O)[O-] ZINC000262462322 152281350 /nfs/dbraw/zinc/28/13/50/152281350.db2.gz KWGOBFYZMAGPGV-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC(COc2ccccc2)C1 ZINC000377171345 154071928 /nfs/dbraw/zinc/07/19/28/154071928.db2.gz GCICLYCTLCJVRA-UHFFFAOYSA-N -1 0 328.324 2.451 20 5 EEBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c2cnn(C)c2n1 ZINC000092550029 159222622 /nfs/dbraw/zinc/22/26/22/159222622.db2.gz NMICGLKBUDNLJV-UHFFFAOYSA-N -1 0 327.300 2.143 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nn1 ZINC000345681569 161322313 /nfs/dbraw/zinc/32/23/13/161322313.db2.gz JVRGHVBIRYJUIT-UHFFFAOYSA-N -1 0 348.262 2.204 20 5 EEBDRM O=C(NC[C@H](O)CCc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000346069544 161354585 /nfs/dbraw/zinc/35/45/85/161354585.db2.gz BVBPJMXHSPZTEP-OAHLLOKOSA-N -1 0 330.340 2.024 20 5 EEBDRM O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355379579 163168636 /nfs/dbraw/zinc/16/86/36/163168636.db2.gz MCJAIPLSBZUPMO-CQSZACIVSA-N -1 0 341.323 2.156 20 5 EEBDRM Cc1noc(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000272101858 268907461 /nfs/dbraw/zinc/90/74/61/268907461.db2.gz LYWMALKSQFBOJK-UHFFFAOYSA-N -1 0 329.309 2.448 20 5 EEBDRM CC(C)(C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC000274971593 269080452 /nfs/dbraw/zinc/08/04/52/269080452.db2.gz KKZNBTFEPJGNES-JTQLQIEISA-N -1 0 344.389 2.010 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccccc2[C@H]1CO ZINC000185632353 274021650 /nfs/dbraw/zinc/02/16/50/274021650.db2.gz WMIHSCHREPBEAE-OAHLLOKOSA-N -1 0 328.324 2.032 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1[N+](=O)[O-] ZINC000191784013 274052293 /nfs/dbraw/zinc/05/22/93/274052293.db2.gz HRGPBVBRFWHTQG-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000275206439 274227147 /nfs/dbraw/zinc/22/71/47/274227147.db2.gz ZJWFGSZDJUVGDX-JOYOIKCWSA-N -1 0 344.389 2.023 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c(F)c1 ZINC000288338381 275048169 /nfs/dbraw/zinc/04/81/69/275048169.db2.gz HWDDYJUGVTUVNQ-SNVBAGLBSA-N -1 0 342.270 2.353 20 5 EEBDRM O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000292598960 275452849 /nfs/dbraw/zinc/45/28/49/275452849.db2.gz HRFYUDDWMZVEJU-MAUKXSAKSA-N -1 0 342.351 2.196 20 5 EEBDRM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000315343800 298335557 /nfs/dbraw/zinc/33/55/57/298335557.db2.gz OLYWMECCEHRYKY-ZCFIWIBFSA-N -1 0 330.259 2.353 20 5 EEBDRM Nc1c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000237877000 303491530 /nfs/dbraw/zinc/49/15/30/303491530.db2.gz JNVSBOZHSNSWIC-CDMKHQONSA-N -1 0 333.344 2.035 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000431788741 314658464 /nfs/dbraw/zinc/65/84/64/314658464.db2.gz MOCPUOHDXCTGHO-CQSZACIVSA-N -1 0 335.360 2.452 20 5 EEBDRM CCOC(=O)c1csc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000436718796 314992114 /nfs/dbraw/zinc/99/21/14/314992114.db2.gz MVLKQJSTSMHJOE-UHFFFAOYSA-N -1 0 337.313 2.186 20 5 EEBDRM CCOc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c1 ZINC000443403589 315245746 /nfs/dbraw/zinc/24/57/46/315245746.db2.gz BLDGIMJJDBZCPO-UHFFFAOYSA-N -1 0 338.341 2.500 20 5 EEBDRM O=C([O-])c1ccoc1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000516872540 316604585 /nfs/dbraw/zinc/60/45/85/316604585.db2.gz FENOWNKTVSBHSY-UHFFFAOYSA-N -1 0 331.328 2.208 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000540704346 318077344 /nfs/dbraw/zinc/07/73/44/318077344.db2.gz YFXAFQFHBUMVSE-BJOHPYRUSA-N -1 0 338.385 2.445 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000564572946 319091927 /nfs/dbraw/zinc/09/19/27/319091927.db2.gz YIVLJJMFUVEYMP-UHFFFAOYSA-N -1 0 348.359 2.219 20 5 EEBDRM CCOc1ccc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000565086661 319147410 /nfs/dbraw/zinc/14/74/10/319147410.db2.gz AWYNTIZUPSRFRE-GFCCVEGCSA-N -1 0 336.344 2.224 20 5 EEBDRM O=C([O-])c1cnc(NCCCCNc2ccccn2)c([N+](=O)[O-])c1 ZINC000566739773 319316761 /nfs/dbraw/zinc/31/67/61/319316761.db2.gz JHDBAPDNTKOGRF-UHFFFAOYSA-N -1 0 331.332 2.387 20 5 EEBDRM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CO2 ZINC000568708453 319510739 /nfs/dbraw/zinc/51/07/39/319510739.db2.gz FDENGAVPAUINAL-AWEZNQCLSA-N -1 0 342.307 2.465 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570118077 319637729 /nfs/dbraw/zinc/63/77/29/319637729.db2.gz DXBRXRNCIHFRDG-AWEZNQCLSA-N -1 0 335.360 2.175 20 5 EEBDRM C[C@H]([N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)NC(C)(C)C ZINC000486941770 447826768 /nfs/dbraw/zinc/82/67/68/447826768.db2.gz MFEYZBAIGYXDKK-VIFPVBQESA-N -1 0 333.348 2.360 20 5 EEBDRM Cc1ccnc(N2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000339022571 465033281 /nfs/dbraw/zinc/03/32/81/465033281.db2.gz PVNOGVMOTGLABX-UHFFFAOYSA-N -1 0 328.372 2.326 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000326546147 465039585 /nfs/dbraw/zinc/03/95/85/465039585.db2.gz MEBARUQAEWRFFR-UHFFFAOYSA-N -1 0 330.344 2.381 20 5 EEBDRM COc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000327148555 465048085 /nfs/dbraw/zinc/04/80/85/465048085.db2.gz AIQNDANWHOKFPM-LBPRGKRZSA-N -1 0 342.307 2.432 20 5 EEBDRM CCOC(=O)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000339075441 465068402 /nfs/dbraw/zinc/06/84/02/465068402.db2.gz PAPFLNGVBZJHRZ-INIZCTEOSA-N -1 0 346.339 2.400 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000337149054 465216191 /nfs/dbraw/zinc/21/61/91/465216191.db2.gz HRBVXLDKQORUOQ-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM O=C(CCCCc1c[nH]nn1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000118944488 462862183 /nfs/dbraw/zinc/86/21/83/462862183.db2.gz QJWLNPHJWNXJNA-UHFFFAOYSA-N -1 0 339.739 2.423 20 5 EEBDRM CCOCCC1(CNS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000156819433 463071621 /nfs/dbraw/zinc/07/16/21/463071621.db2.gz DSRBZEUHFKWHKP-UHFFFAOYSA-N -1 0 342.417 2.388 20 5 EEBDRM COc1ccc(OC)c(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000026399342 463161302 /nfs/dbraw/zinc/16/13/02/463161302.db2.gz FIGHZVNBULIBNW-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM Cc1noc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)n1 ZINC000097128534 463331405 /nfs/dbraw/zinc/33/14/05/463331405.db2.gz ZWEHPVOIPTZNRK-LLVKDONJSA-N -1 0 332.316 2.012 20 5 EEBDRM O=C(NCCN1CCc2sccc2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000097152509 463335912 /nfs/dbraw/zinc/33/59/12/463335912.db2.gz FOUSHRMEGWGAEY-UHFFFAOYSA-N -1 0 347.396 2.150 20 5 EEBDRM CCc1ccc(C(=O)NC2(C(=O)[O-])CCSCC2)cc1[N+](=O)[O-] ZINC000262164696 463963393 /nfs/dbraw/zinc/96/33/93/463963393.db2.gz NFFHCEHDBYOQJC-UHFFFAOYSA-N -1 0 338.385 2.237 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000262734209 464040355 /nfs/dbraw/zinc/04/03/55/464040355.db2.gz VCBGYNPGSVUIDS-OUAUKWLOSA-N -1 0 338.385 2.445 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000263431099 464103817 /nfs/dbraw/zinc/10/38/17/464103817.db2.gz KQQBHUOILJPSLX-AWEZNQCLSA-N -1 0 326.736 2.256 20 5 EEBDRM CC(C)c1ccc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC000263536759 464125653 /nfs/dbraw/zinc/12/56/53/464125653.db2.gz OXMQKTMHVCIHSN-INIZCTEOSA-N -1 0 336.344 2.082 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000270977483 464273052 /nfs/dbraw/zinc/27/30/52/464273052.db2.gz BAXPSSOECYGZRK-NSHDSACASA-N -1 0 344.389 2.085 20 5 EEBDRM CCO[C@H](CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000173521749 464276291 /nfs/dbraw/zinc/27/62/91/464276291.db2.gz JWVUBLYRRZEPOK-CYBMUJFWSA-N -1 0 348.396 2.463 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccon2)c(C(F)(F)F)c1 ZINC000181063485 464441194 /nfs/dbraw/zinc/44/11/94/464441194.db2.gz UNENJUGZLWFPCS-UHFFFAOYSA-N -1 0 337.235 2.402 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000174768581 464449547 /nfs/dbraw/zinc/44/95/47/464449547.db2.gz HFQGTYFWBUWMRZ-UHFFFAOYSA-N -1 0 336.373 2.311 20 5 EEBDRM CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H](COC)C(=O)[O-] ZINC000579789504 468408363 /nfs/dbraw/zinc/40/83/63/468408363.db2.gz SUOGFLGKJUFHIY-GFCCVEGCSA-N -1 0 343.311 2.077 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000282009202 464666860 /nfs/dbraw/zinc/66/68/60/464666860.db2.gz XSOWYAAXQPJERY-SJCJKPOMSA-N -1 0 348.355 2.077 20 5 EEBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000356736320 465512837 /nfs/dbraw/zinc/51/28/37/465512837.db2.gz YERDLUULVOHSGX-MRXNPFEDSA-N -1 0 330.340 2.496 20 5 EEBDRM Cc1ccnc([C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C2CC2)n1 ZINC000356738314 465514349 /nfs/dbraw/zinc/51/43/49/465514349.db2.gz ZULSQIUHKKGLCL-CQSZACIVSA-N -1 0 328.328 2.280 20 5 EEBDRM C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000593950362 468442258 /nfs/dbraw/zinc/44/22/58/468442258.db2.gz AHAHZIALNFILSQ-ZCFIWIBFSA-N -1 0 333.247 2.038 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(C)(=O)=O)o1 ZINC000362344426 465666560 /nfs/dbraw/zinc/66/65/60/465666560.db2.gz FIVFPEXYIDGLJA-UHFFFAOYSA-N -1 0 338.341 2.406 20 5 EEBDRM COCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000337985729 465730448 /nfs/dbraw/zinc/73/04/48/465730448.db2.gz VOBZJESANRJXPB-CYBMUJFWSA-N -1 0 348.396 2.463 20 5 EEBDRM Cc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)o1 ZINC000362128785 466576543 /nfs/dbraw/zinc/57/65/43/466576543.db2.gz IBALPNOGYPRRAJ-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM O=C([O-])C[C@H]1CSCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000319753817 466599235 /nfs/dbraw/zinc/59/92/35/466599235.db2.gz ABUGWDUOMYQFGE-RJNRQISESA-N -1 0 336.369 2.027 20 5 EEBDRM CCCC[C@H](NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000323211232 466636821 /nfs/dbraw/zinc/63/68/21/466636821.db2.gz NMSRDLLVAXUDMU-LBPRGKRZSA-N -1 0 344.389 2.133 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000323642632 466639843 /nfs/dbraw/zinc/63/98/43/466639843.db2.gz SDGBECYSWMFMDE-UHFFFAOYSA-N -1 0 325.321 2.226 20 5 EEBDRM O=C([O-])c1cnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000516653651 468040384 /nfs/dbraw/zinc/04/03/84/468040384.db2.gz OQWJRKOHZZCDDV-UHFFFAOYSA-N -1 0 334.357 2.076 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@@H](CO)Cc2ccccc21 ZINC000590406931 468248130 /nfs/dbraw/zinc/24/81/30/468248130.db2.gz MJRKBULGJKYOMF-NSHDSACASA-N -1 0 328.324 2.112 20 5 EEBDRM CC(C)(C)Oc1cc(NCCn2cc(C(=O)[O-])nn2)ccc1[N+](=O)[O-] ZINC000569582025 468513494 /nfs/dbraw/zinc/51/34/94/468513494.db2.gz PHGDTPXLBYSXOH-UHFFFAOYSA-N -1 0 349.347 2.174 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H](C(=O)[O-])C(C)C ZINC000594541692 468617807 /nfs/dbraw/zinc/61/78/07/468617807.db2.gz WYHVGEKLCCINNF-GFCCVEGCSA-N -1 0 333.344 2.342 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000594675910 468649788 /nfs/dbraw/zinc/64/97/88/468649788.db2.gz VYWIPBGEJMFYKE-UHFFFAOYSA-N -1 0 344.389 2.025 20 5 EEBDRM C[C@H]1[C@H](C(F)(F)F)OCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000594733941 468667807 /nfs/dbraw/zinc/66/78/07/468667807.db2.gz KSRBWWGQUVXDQX-QPUJVOFHSA-N -1 0 348.277 2.445 20 5 EEBDRM O=C([O-])c1ccnc(NCc2ccc3c(c2)OCCCO3)c1[N+](=O)[O-] ZINC000571408028 468784665 /nfs/dbraw/zinc/78/46/65/468784665.db2.gz PAAJLTQMPWTNJV-UHFFFAOYSA-N -1 0 345.311 2.461 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N(C)Cc2ccc(OCC(=O)[O-])cc2)n1 ZINC000571688022 468823935 /nfs/dbraw/zinc/82/39/35/468823935.db2.gz LSERDUCOXVNBLM-UHFFFAOYSA-N -1 0 331.328 2.398 20 5 EEBDRM C[C@H]1CC2(CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CCOCC2 ZINC000592953553 468826903 /nfs/dbraw/zinc/82/69/03/468826903.db2.gz VQOMEDPRVNRYGQ-NSHDSACASA-N -1 0 348.355 2.324 20 5 EEBDRM O=C([O-])c1ccc(N2CCN(c3ccncc3[N+](=O)[O-])CC2)s1 ZINC000592984033 468833552 /nfs/dbraw/zinc/83/35/52/468833552.db2.gz DKJCGRJIQFGGFI-UHFFFAOYSA-N -1 0 334.357 2.076 20 5 EEBDRM CCc1ccc(S(=O)(=O)N[C@H](C)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000571766255 468836936 /nfs/dbraw/zinc/83/69/36/468836936.db2.gz FIBQXGZZFVHGBA-SNVBAGLBSA-N -1 0 344.389 2.079 20 5 EEBDRM CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000598479692 468880195 /nfs/dbraw/zinc/88/01/95/468880195.db2.gz HOQDFZWJDIYMFC-MLGOLLRUSA-N -1 0 336.344 2.152 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593290094 468929360 /nfs/dbraw/zinc/92/93/60/468929360.db2.gz CZTFOCNDJVSZGX-BXKDBHETSA-N -1 0 332.316 2.082 20 5 EEBDRM COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000573000460 469039227 /nfs/dbraw/zinc/03/92/27/469039227.db2.gz DEZNQFPPLJYVHK-AAEUAGOBSA-N -1 0 338.360 2.025 20 5 EEBDRM Nc1c(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000610839586 469085924 /nfs/dbraw/zinc/08/59/24/469085924.db2.gz SZTPQDNLVBCOAJ-UHFFFAOYSA-N -1 0 343.339 2.294 20 5 EEBDRM O=C([O-])[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595989457 469107436 /nfs/dbraw/zinc/10/74/36/469107436.db2.gz PYPDCBNKRLRDDV-CQSZACIVSA-N -1 0 335.360 2.014 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc(C)cs1 ZINC000619506827 469629136 /nfs/dbraw/zinc/62/91/36/469629136.db2.gz REIDTWXIYSZAJE-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000618020644 469874131 /nfs/dbraw/zinc/87/41/31/469874131.db2.gz SBEZEOUPGVGFGB-JGVFFNPUSA-N -1 0 328.346 2.137 20 5 EEBDRM CCC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccn1 ZINC000610263042 469996405 /nfs/dbraw/zinc/99/64/05/469996405.db2.gz JRYJCRZTOPFXLY-GFCCVEGCSA-N -1 0 336.373 2.205 20 5 EEBDRM Cc1cc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)ccc1[N+](=O)[O-] ZINC000738353661 578010521 /nfs/dbraw/zinc/01/05/21/578010521.db2.gz UWEACSPQHMXFBS-UHFFFAOYSA-N -1 0 333.252 2.234 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1noc(CCCC(=O)[O-])n1 ZINC000738478680 578016646 /nfs/dbraw/zinc/01/66/46/578016646.db2.gz IWZYANDEJVXOOF-UHFFFAOYSA-N -1 0 349.299 2.051 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C2(F)CCCC2)cc([N+](=O)[O-])c1C ZINC000773936864 577374162 /nfs/dbraw/zinc/37/41/62/577374162.db2.gz FJPBWACVUZUITK-UHFFFAOYSA-N -1 0 344.364 2.299 20 5 EEBDRM CC(C)Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]n1 ZINC000768861416 577564443 /nfs/dbraw/zinc/56/44/43/577564443.db2.gz FWNZCSOZFNRXTC-UHFFFAOYSA-N -1 0 330.391 2.379 20 5 EEBDRM CON(Cc1ccccc1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000762363285 577699800 /nfs/dbraw/zinc/69/98/00/577699800.db2.gz GZXUMHLZPQQGFA-UHFFFAOYSA-N -1 0 330.296 2.497 20 5 EEBDRM CON(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000753818965 577794408 /nfs/dbraw/zinc/79/44/08/577794408.db2.gz QCEBPYXCBJCYPC-UHFFFAOYSA-N -1 0 345.311 2.186 20 5 EEBDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000755910693 577834055 /nfs/dbraw/zinc/83/40/55/577834055.db2.gz QRYNLYOWNSTQOK-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM O=C([O-])c1ccnc(NCc2ccc(-n3ccnc3)cc2)c1[N+](=O)[O-] ZINC000738693830 578024001 /nfs/dbraw/zinc/02/40/01/578024001.db2.gz PGRZFXATKGIDDH-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])c1coc(COC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000739252056 578045738 /nfs/dbraw/zinc/04/57/38/578045738.db2.gz SSRSKVZRHZZOIN-UHFFFAOYSA-N -1 0 335.268 2.398 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCOC[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000739625549 578061378 /nfs/dbraw/zinc/06/13/78/578061378.db2.gz QEBGTAICUGFSJG-CXLRFSCWSA-N -1 0 336.344 2.158 20 5 EEBDRM CCC/C=C/C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000735202799 578139904 /nfs/dbraw/zinc/13/99/04/578139904.db2.gz DUQQMZYXRLLUJW-VOTSOKGWSA-N -1 0 326.374 2.373 20 5 EEBDRM CC1(C)CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000736736824 578221278 /nfs/dbraw/zinc/22/12/78/578221278.db2.gz FIEZYGIQZYQFTL-UHFFFAOYSA-N -1 0 339.304 2.207 20 5 EEBDRM CC[C@](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000736916512 578229475 /nfs/dbraw/zinc/22/94/75/578229475.db2.gz IXFVUWVCGOCOJY-QGZVFWFLSA-N -1 0 343.339 2.297 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737095197 578237733 /nfs/dbraw/zinc/23/77/33/578237733.db2.gz WEJTUPWMROSQFW-UHFFFAOYSA-N -1 0 344.751 2.340 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737210511 578243776 /nfs/dbraw/zinc/24/37/76/578243776.db2.gz KLUXYFIRFYRTGI-CYBMUJFWSA-N -1 0 340.332 2.329 20 5 EEBDRM CN(C)C(=O)c1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000737951741 578274210 /nfs/dbraw/zinc/27/42/10/578274210.db2.gz LCRPRRNXRBZGFL-UHFFFAOYSA-N -1 0 344.327 2.002 20 5 EEBDRM O=C([O-])[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000821511637 598129794 /nfs/dbraw/zinc/12/97/94/598129794.db2.gz NUNOEUXYBZAIBD-MRVPVSSYSA-N -1 0 329.150 2.264 20 5 EEBDRM Cc1nn(CCC(=O)Nc2ccc(C)cc2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000184941687 599810344 /nfs/dbraw/zinc/81/03/44/599810344.db2.gz LUIIYTHMGFDVKU-UHFFFAOYSA-N -1 0 346.343 2.444 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000833090130 601057736 /nfs/dbraw/zinc/05/77/36/601057736.db2.gz CKISAKWOVIUDPK-ZDUSSCGKSA-N -1 0 334.259 2.299 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000833009715 601075776 /nfs/dbraw/zinc/07/57/76/601075776.db2.gz QHNZFHJGKCSPIW-ZDUSSCGKSA-N -1 0 334.259 2.420 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000828633613 601133178 /nfs/dbraw/zinc/13/31/78/601133178.db2.gz AZKYGVVCGAIRIP-CQSZACIVSA-N -1 0 339.304 2.185 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)COc2ccc([N+](=O)[O-])cc2)s1 ZINC000833115688 601997337 /nfs/dbraw/zinc/99/73/37/601997337.db2.gz YSDSBBJNVDARLH-UHFFFAOYSA-N -1 0 337.309 2.477 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000833115663 602003046 /nfs/dbraw/zinc/00/30/46/602003046.db2.gz XXBFDMFVAFVNSG-UHFFFAOYSA-N -1 0 337.309 2.477 20 5 EEBDRM CCCC(=O)N[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000829177516 602315804 /nfs/dbraw/zinc/31/58/04/602315804.db2.gz XADSAHXYFABFQI-GFCCVEGCSA-N -1 0 349.387 2.487 20 5 EEBDRM Cc1cc(C)n(C2CN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)C2)n1 ZINC000832880483 602317178 /nfs/dbraw/zinc/31/71/78/602317178.db2.gz HKVCKCWKTVZTLE-UHFFFAOYSA-N -1 0 330.344 2.476 20 5 EEBDRM C[C@@H](CC(=O)c1ccco1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827396406 602388619 /nfs/dbraw/zinc/38/86/19/602388619.db2.gz DOHRZNMLXLLKIM-VIFPVBQESA-N -1 0 346.295 2.277 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000827010156 604394049 /nfs/dbraw/zinc/39/40/49/604394049.db2.gz CHESUSKZFLTNKN-LLVKDONJSA-N -1 0 344.751 2.198 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000827006008 604452966 /nfs/dbraw/zinc/45/29/66/604452966.db2.gz IOWBVOHDIHWGEP-AWEZNQCLSA-N -1 0 349.343 2.026 20 5 EEBDRM Cc1cc([C@@H](C)OC(=O)Cn2cc([N+](=O)[O-])nc2C)oc1C(=O)[O-] ZINC000832872100 604575247 /nfs/dbraw/zinc/57/52/47/604575247.db2.gz MARMZEYDOXWFAU-MRVPVSSYSA-N -1 0 337.288 2.004 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000833324246 604816396 /nfs/dbraw/zinc/81/63/96/604816396.db2.gz QCJONTLDIXCMRJ-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120249417 674822969 /nfs/dbraw/zinc/82/29/69/674822969.db2.gz HZZOBRFWGVNWDP-FQEVSTJZSA-N -1 0 346.411 2.195 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)[N-]OCc1ccccc1 ZINC000121153198 676160609 /nfs/dbraw/zinc/16/06/09/676160609.db2.gz RELPDFIJRDPKEY-UHFFFAOYSA-N -1 0 343.339 2.398 20 5 EEBDRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000179601591 679957077 /nfs/dbraw/zinc/95/70/77/679957077.db2.gz AZIASJZGULGGRC-NSHDSACASA-N -1 0 328.390 2.472 20 5 EEBDRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013469599 682910943 /nfs/dbraw/zinc/91/09/43/682910943.db2.gz TZXNENMLKZEZKA-VXGBXAGGSA-N -1 0 335.272 2.109 20 5 EEBDRM O=C(N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1)c1ncccc1O ZINC001059201223 683200087 /nfs/dbraw/zinc/20/00/87/683200087.db2.gz WFVZAUZOKFQEBA-XYPYZODXSA-N -1 0 346.318 2.207 20 5 EEBDRM O=C(CCCC1CC1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000813057126 1201072970 /nfs/dbraw/zinc/07/29/70/1201072970.db2.gz PXQYATRQIQADRP-UHFFFAOYSA-N -1 0 326.374 2.121 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](Cc2nccs2)C1 ZINC000890227542 1204809631 /nfs/dbraw/zinc/80/96/31/1204809631.db2.gz MIARWVRSQSUZKF-SNVBAGLBSA-N -1 0 333.369 2.462 20 5 EEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000014256034 1225440590 /nfs/dbraw/zinc/44/05/90/1225440590.db2.gz LJHAQQCEDCKPCG-UHFFFAOYSA-N -1 0 341.276 2.443 20 5 EEBDRM CCc1oncc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000800844456 1234666150 /nfs/dbraw/zinc/66/61/50/1234666150.db2.gz ZQEYOIKPEXVCOK-UHFFFAOYSA-N -1 0 329.309 2.394 20 5 EEBDRM CSc1cccc(C(=O)OCc2n[n-]c(C)cc2=O)c1[N+](=O)[O-] ZINC000802169472 1237041689 /nfs/dbraw/zinc/04/16/89/1237041689.db2.gz MMKBRIGVJLAKSA-UHFFFAOYSA-N -1 0 335.341 2.478 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000802867390 1238481098 /nfs/dbraw/zinc/48/10/98/1238481098.db2.gz XNCPPEAGKWLMSM-UHFFFAOYSA-N -1 0 344.345 2.223 20 5 EEBDRM C[C@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886073 1277379921 /nfs/dbraw/zinc/37/99/21/1277379921.db2.gz ORIWSXFNTLHWDW-XPTSAGLGSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C(C=C1CCCC1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850889184 1277381688 /nfs/dbraw/zinc/38/16/88/1277381688.db2.gz TVZINVLNOMCJTC-UHFFFAOYSA-N -1 0 328.321 2.039 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001210955228 1295597998 /nfs/dbraw/zinc/59/79/98/1295597998.db2.gz YLWAXGJXLRPKBV-UHFFFAOYSA-N -1 0 333.275 2.292 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CC[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001226021141 1301235992 /nfs/dbraw/zinc/23/59/92/1301235992.db2.gz OBIZFSVNSDTVNA-IVZWLZJFSA-N -1 0 339.348 2.471 20 5 EEBDRM Cc1nc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)c(F)c(=O)[n-]1 ZINC001226423345 1301404877 /nfs/dbraw/zinc/40/48/77/1301404877.db2.gz GUGVDGIXCVYGSW-JTQLQIEISA-N -1 0 334.307 2.196 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(O[C@@H]4CCOC[C@H]4F)c3nc2cc1C ZINC001228683817 1302379104 /nfs/dbraw/zinc/37/91/04/1302379104.db2.gz DEXGNCVDKCRVEU-ZWNOBZJWSA-N -1 0 344.346 2.401 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(O[C@@H]4COC[C@H]4F)c3nc2cc1C ZINC001228685875 1302381066 /nfs/dbraw/zinc/38/10/66/1302381066.db2.gz JJZRFJONOSPORB-BXKDBHETSA-N -1 0 330.319 2.011 20 5 EEBDRM CCC[C@@H](Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-])C(=O)OCC ZINC001228811218 1302461972 /nfs/dbraw/zinc/46/19/72/1302461972.db2.gz OAXWJXHSDBBHOY-GFCCVEGCSA-N -1 0 341.316 2.198 20 5 EEBDRM CCCSc1nc(OC2CCC(=O)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229796600 1302948419 /nfs/dbraw/zinc/94/84/19/1302948419.db2.gz NKKKIRIHYJBMJP-UHFFFAOYSA-N -1 0 327.362 2.483 20 5 EEBDRM COC(=O)C[C@@H]1CCC[C@@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231077224 1303614149 /nfs/dbraw/zinc/61/41/49/1303614149.db2.gz SJDWBMACCWURDU-HTQZYQBOSA-N -1 0 345.739 2.245 20 5 EEBDRM COC(=O)[C@@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001231265109 1303712193 /nfs/dbraw/zinc/71/21/93/1303712193.db2.gz YKHBVBSCPGPPJD-ZDUSSCGKSA-N -1 0 336.275 2.436 20 5 EEBDRM O=C(C=C1CCCC1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000781844461 1303878687 /nfs/dbraw/zinc/87/86/87/1303878687.db2.gz LDFCUERKHAUCKF-UHFFFAOYSA-N -1 0 328.321 2.039 20 5 EEBDRM COCc1nsc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC000784483844 1304487924 /nfs/dbraw/zinc/48/79/24/1304487924.db2.gz BGEOFHVQMYDYTK-UHFFFAOYSA-N -1 0 330.272 2.123 20 5 EEBDRM CC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000835027901 1314894212 /nfs/dbraw/zinc/89/42/12/1314894212.db2.gz HBMRUBAFNUSFGW-WDEREUQCSA-N -1 0 326.374 2.226 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000842405057 1315698449 /nfs/dbraw/zinc/69/84/49/1315698449.db2.gz DTUPMXHFSXZPKU-UHFFFAOYSA-N -1 0 328.390 2.285 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc(Cl)c1F ZINC001608499747 1351704700 /nfs/dbraw/zinc/70/47/00/1351704700.db2.gz JDEORRXEAQUMMG-UHFFFAOYSA-N -1 0 328.643 2.061 20 5 EEBDRM O=C([O-])[C@H](c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001601691439 1350339069 /nfs/dbraw/zinc/33/90/69/1350339069.db2.gz ORTGBLXFBQLYLH-ZDUSSCGKSA-N -1 0 339.300 2.334 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001605059644 1351068851 /nfs/dbraw/zinc/06/88/51/1351068851.db2.gz FRAQKOLVVFVKKY-DYVFJYSZSA-N -1 0 334.372 2.487 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NC[C@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC001608660736 1351736877 /nfs/dbraw/zinc/73/68/77/1351736877.db2.gz AGHACPKPWKKNFH-RDNKVPPGSA-N -1 0 345.355 2.115 20 5 EEBDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC001608772270 1351759963 /nfs/dbraw/zinc/75/99/63/1351759963.db2.gz ZIWLAMKAUPTOBM-MNOVXSKESA-N -1 0 338.385 2.447 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc3[nH]ccc3n2)cc([N+](=O)[O-])c1 ZINC001608855938 1351780002 /nfs/dbraw/zinc/78/00/02/1351780002.db2.gz JQEDQFYTWSFWJS-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@@](O)(C(F)F)C2)cc1Cl ZINC001608863259 1351780759 /nfs/dbraw/zinc/78/07/59/1351780759.db2.gz ZETNAQAPVPCADK-LBPRGKRZSA-N -1 0 336.678 2.153 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CNC2(c3ncccn3)CCC2)c1 ZINC001608914493 1351792963 /nfs/dbraw/zinc/79/29/63/1351792963.db2.gz SVANTJWOQRFLIK-UHFFFAOYSA-N -1 0 328.328 2.252 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC001321075387 1333012570 /nfs/dbraw/zinc/01/25/70/1333012570.db2.gz XUQGZFNSJAPKLM-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC001322009496 1333194528 /nfs/dbraw/zinc/19/45/28/1333194528.db2.gz ZPWRSCGKVQJHFB-SECBINFHSA-N -1 0 340.382 2.265 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC001609640238 1352047917 /nfs/dbraw/zinc/04/79/17/1352047917.db2.gz BJEDJOBNVHIPCQ-NSHDSACASA-N -1 0 345.355 2.404 20 5 EEBDRM CC(C)[C@H]1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001609689861 1352060501 /nfs/dbraw/zinc/06/05/01/1352060501.db2.gz GQKAUYNLYBFBMA-ZDUSSCGKSA-N -1 0 349.387 2.282 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001609718195 1352067727 /nfs/dbraw/zinc/06/77/27/1352067727.db2.gz PQMHFSABESHMEH-ZDUSSCGKSA-N -1 0 333.300 2.424 20 5 EEBDRM C[C@@H]1SCCN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2C)[C@H]1C ZINC001338405989 1336856470 /nfs/dbraw/zinc/85/64/70/1336856470.db2.gz FEXKUEOLHMEMOM-UWVGGRQHSA-N -1 0 349.416 2.426 20 5 EEBDRM C[C@H]1COCC[C@H]1c1noc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001609879232 1352109950 /nfs/dbraw/zinc/10/99/50/1352109950.db2.gz WERLMVWEZYTQCC-QPUJVOFHSA-N -1 0 333.300 2.483 20 5 EEBDRM CCC(CC)(NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)[O-] ZINC001609915849 1352119040 /nfs/dbraw/zinc/11/90/40/1352119040.db2.gz COYROHLNNFWFIV-UHFFFAOYSA-N -1 0 341.339 2.173 20 5 EEBDRM CC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001344438294 1337393611 /nfs/dbraw/zinc/39/36/11/1337393611.db2.gz NERUIZODRKWLEV-GXFFZTMASA-N -1 0 326.374 2.226 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@](C)(COC)CC(=O)[O-] ZINC001610065372 1352153731 /nfs/dbraw/zinc/15/37/31/1352153731.db2.gz QAVGUIPCZLTYEM-OAHLLOKOSA-N -1 0 339.348 2.159 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc(OCC(=O)[O-])c1 ZINC001610088230 1352159562 /nfs/dbraw/zinc/15/95/62/1352159562.db2.gz UBSWGTVBWFCKLV-UHFFFAOYSA-N -1 0 334.332 2.195 20 5 EEBDRM COc1cc(COC(=O)c2ccc(C(=O)[O-])o2)c([N+](=O)[O-])cc1F ZINC001610297358 1352201580 /nfs/dbraw/zinc/20/15/80/1352201580.db2.gz CGNGLOSQLRSECB-UHFFFAOYSA-N -1 0 339.231 2.391 20 5 EEBDRM CSc1c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cnn1C ZINC001610385164 1352214193 /nfs/dbraw/zinc/21/41/93/1352214193.db2.gz FCLNKMDTYGEGJL-UHFFFAOYSA-N -1 0 336.329 2.001 20 5 EEBDRM Cc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(=O)[O-])cc1C ZINC001610494644 1352232759 /nfs/dbraw/zinc/23/27/59/1352232759.db2.gz DAMQZOAGDWRKAB-OAHLLOKOSA-N -1 0 343.339 2.350 20 5 EEBDRM Cc1ccccc1OC[C@H](O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001610532390 1352239998 /nfs/dbraw/zinc/23/99/98/1352239998.db2.gz RSOFUXZFCFCTDT-GFCCVEGCSA-N -1 0 347.323 2.420 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H](OC(F)F)C2)cc([N+](=O)[O-])c1 ZINC001610808543 1352278272 /nfs/dbraw/zinc/27/82/72/1352278272.db2.gz AUJRULKOTDSEPF-NSHDSACASA-N -1 0 344.270 2.137 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc([N+](=O)[O-])c1 ZINC001610809510 1352278558 /nfs/dbraw/zinc/27/85/58/1352278558.db2.gz OFWYUYSLSUTTKV-YOEHRIQHSA-N -1 0 346.339 2.077 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)cc([N+](=O)[O-])c1 ZINC001610809505 1352278658 /nfs/dbraw/zinc/27/86/58/1352278658.db2.gz OFWYUYSLSUTTKV-WMLDXEAASA-N -1 0 346.339 2.077 20 5 EEBDRM O=C([O-])[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001610875517 1352289219 /nfs/dbraw/zinc/28/92/19/1352289219.db2.gz LCOJVKAUCBDDBK-OAHLLOKOSA-N -1 0 348.355 2.218 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592197373 1349603449 /nfs/dbraw/zinc/60/34/49/1349603449.db2.gz JPRRTIGBQWDCBX-UHFFFAOYSA-N -1 0 328.288 2.237 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001599834258 1349948555 /nfs/dbraw/zinc/94/85/55/1349948555.db2.gz WYOZVHYSGBMUHM-JTQLQIEISA-N -1 0 329.312 2.250 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1 ZINC001600105042 1349972107 /nfs/dbraw/zinc/97/21/07/1349972107.db2.gz INQXCDYCCRHFFI-APPZFPTMSA-N -1 0 349.265 2.152 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Oc2ccc(C(N)=O)cc2F)n1 ZINC001600106225 1349972119 /nfs/dbraw/zinc/97/21/19/1349972119.db2.gz GLMOIHWRZLJXCC-UHFFFAOYSA-N -1 0 335.247 2.027 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc3c(c2)OCO3)n1 ZINC001600105778 1349972192 /nfs/dbraw/zinc/97/21/92/1349972192.db2.gz MHTFJBDDDMDMND-UHFFFAOYSA-N -1 0 331.284 2.337 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)OCC(=O)CCC(=O)[O-])cc1Cl ZINC001600303187 1350015310 /nfs/dbraw/zinc/01/53/10/1350015310.db2.gz ZNVGZKISNVIIST-UHFFFAOYSA-N -1 0 329.692 2.147 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)n1 ZINC001600304574 1350015761 /nfs/dbraw/zinc/01/57/61/1350015761.db2.gz ZOHGHNIHAVSAAX-UHFFFAOYSA-N -1 0 345.311 2.282 20 5 EEBDRM Cc1cccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001600550307 1350079844 /nfs/dbraw/zinc/07/98/44/1350079844.db2.gz CORMFASZRUDDHH-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(Br)n1Cc1cccc(C(=O)[O-])n1 ZINC001600717536 1350120476 /nfs/dbraw/zinc/12/04/76/1350120476.db2.gz LOBXJPYATIKLJK-UHFFFAOYSA-N -1 0 341.121 2.004 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1CC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001600748293 1350127104 /nfs/dbraw/zinc/12/71/04/1350127104.db2.gz JPGHHSMLGOWEKF-UHFFFAOYSA-N -1 0 339.691 2.057 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001600748301 1350127252 /nfs/dbraw/zinc/12/72/52/1350127252.db2.gz KASVBUNCDFKZOH-UHFFFAOYSA-N -1 0 345.311 2.273 20 5 EEBDRM Cn1c(=O)oc2cc(Nc3cc(C(=O)[O-])ccc3[N+](=O)[O-])ccc21 ZINC001600897486 1350162440 /nfs/dbraw/zinc/16/24/40/1350162440.db2.gz AEOGEQHIHOEQMO-UHFFFAOYSA-N -1 0 329.268 2.482 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC001601393631 1350272678 /nfs/dbraw/zinc/27/26/78/1350272678.db2.gz YJXXDDNCUASSKG-JTQLQIEISA-N -1 0 332.234 2.207 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccccn1 ZINC001601401536 1350275039 /nfs/dbraw/zinc/27/50/39/1350275039.db2.gz GRTNJUVWDNHHIQ-AWEZNQCLSA-N -1 0 340.295 2.027 20 5 EEBDRM O=C([O-])C1(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001601609065 1350318592 /nfs/dbraw/zinc/31/85/92/1350318592.db2.gz JGWFMGBJLFJUFE-UHFFFAOYSA-N -1 0 333.222 2.352 20 5 EEBDRM O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1CCOC1 ZINC001601655366 1350329863 /nfs/dbraw/zinc/32/98/63/1350329863.db2.gz MWGCDRRJVIYCAE-JQWIXIFHSA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])C[C@]1(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCOC1 ZINC001601931748 1350400059 /nfs/dbraw/zinc/40/00/59/1350400059.db2.gz YHKMTYGRBZYZTC-CQSZACIVSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])c1c(Cl)c(NC[C@@H](O)C2CCOCC2)ccc1[N+](=O)[O-] ZINC001602232582 1350471786 /nfs/dbraw/zinc/47/17/86/1350471786.db2.gz KMAWZFWMHUCFDL-LLVKDONJSA-N -1 0 344.751 2.146 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@@H]2COc3ccccc32)cc([N+](=O)[O-])c1 ZINC001602246246 1350475653 /nfs/dbraw/zinc/47/56/53/1350475653.db2.gz NCCFXJLNNQGCCD-GFCCVEGCSA-N -1 0 342.307 2.199 20 5 EEBDRM O=C([O-])c1cc(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC001602249462 1350476354 /nfs/dbraw/zinc/47/63/54/1350476354.db2.gz FFIDJRGPKGZZIU-UHFFFAOYSA-N -1 0 345.311 2.301 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001602299393 1350488083 /nfs/dbraw/zinc/48/80/83/1350488083.db2.gz VFLFQWXVSOUZCZ-QESKQRKVSA-N -1 0 344.751 2.023 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2nccc(Cl)c2Cl)c1=O ZINC001602301790 1350488731 /nfs/dbraw/zinc/48/87/31/1350488731.db2.gz RBLJODXJSINLRW-UHFFFAOYSA-N -1 0 344.110 2.205 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Sc2nnc(NC3CC3)s2)n1 ZINC001602409315 1350512937 /nfs/dbraw/zinc/51/29/37/1350512937.db2.gz UOFJIJBUXHULSF-UHFFFAOYSA-N -1 0 339.358 2.265 20 5 EEBDRM O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC001602428131 1350517082 /nfs/dbraw/zinc/51/70/82/1350517082.db2.gz HUGDXVOPSZJWQS-UHFFFAOYSA-N -1 0 348.336 2.389 20 5 EEBDRM O=C([O-])c1cccc(C(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC001602432552 1350518452 /nfs/dbraw/zinc/51/84/52/1350518452.db2.gz UQYICKYDWHTGIE-UHFFFAOYSA-N -1 0 342.263 2.084 20 5 EEBDRM O=C([O-])c1cccc(OCc2cnn(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC001602450667 1350521978 /nfs/dbraw/zinc/52/19/78/1350521978.db2.gz OQJNRKVEDIBJCL-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001602480409 1350528729 /nfs/dbraw/zinc/52/87/29/1350528729.db2.gz RWOKCXPHIKAOQT-UHFFFAOYSA-N -1 0 335.360 2.331 20 5 EEBDRM C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)C(C)(C)C(=O)[O-] ZINC001604409535 1350931564 /nfs/dbraw/zinc/93/15/64/1350931564.db2.gz RIWJWEOZYCLOGY-QMMMGPOBSA-N -1 0 348.311 2.301 20 5 EEBDRM CCC[C@](C)(NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001605198398 1351100688 /nfs/dbraw/zinc/10/06/88/1351100688.db2.gz OKNKAIIHRGPKDN-HNNXBMFYSA-N -1 0 326.324 2.426 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1[N+](=O)[O-] ZINC001605775761 1351222221 /nfs/dbraw/zinc/22/22/21/1351222221.db2.gz LMIZTMLFEATVEM-UHFFFAOYSA-N -1 0 332.316 2.448 20 5 EEBDRM COC(=O)c1cncc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001606628971 1351334512 /nfs/dbraw/zinc/33/45/12/1351334512.db2.gz BYICWYICTUUTJA-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM O=[N+]([O-])c1cn(Cc2c(Cl)cccc2Cl)nc1-c1nnn[n-]1 ZINC001607086224 1351412443 /nfs/dbraw/zinc/41/24/43/1351412443.db2.gz HOLRKUHQYYCRCP-UHFFFAOYSA-N -1 0 340.130 2.327 20 5 EEBDRM COc1cccc(C(=O)N2[C@H](C)CC(C(=O)[O-])C[C@H]2C)c1[N+](=O)[O-] ZINC001607303657 1351469013 /nfs/dbraw/zinc/46/90/13/1351469013.db2.gz LKEBTCQGKPHZHS-NXEZZACHSA-N -1 0 336.344 2.317 20 5 EEBDRM Cc1cc(C)nc(C2CN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC001607632728 1351529448 /nfs/dbraw/zinc/52/94/48/1351529448.db2.gz LKMIMUFXLLSVFN-UHFFFAOYSA-N -1 0 328.328 2.304 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)n1 ZINC001607710446 1351544491 /nfs/dbraw/zinc/54/44/91/1351544491.db2.gz ZBEXUVDGGZUVPI-MRXNPFEDSA-N -1 0 329.312 2.028 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001607744435 1351550626 /nfs/dbraw/zinc/55/06/26/1351550626.db2.gz FLXVRECAEOFQLG-UHFFFAOYSA-N -1 0 329.312 2.312 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NC2(C(=O)[O-])CCSCC2)c1C ZINC001607824927 1351565904 /nfs/dbraw/zinc/56/59/04/1351565904.db2.gz JLFSWNRVGIKRLO-UHFFFAOYSA-N -1 0 338.385 2.292 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 ZINC001608384256 1351683139 /nfs/dbraw/zinc/68/31/39/1351683139.db2.gz FJPSDXPDDZJMSK-INIZCTEOSA-N -1 0 336.347 2.274 20 5 EEBDRM COc1ccccc1CO[N-]C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000799098101 1371628034 /nfs/dbraw/zinc/62/80/34/1371628034.db2.gz UMJHPLMUQRZISA-UHFFFAOYSA-N -1 0 332.312 2.230 20 5 EEBDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835174157 1372599454 /nfs/dbraw/zinc/59/94/54/1372599454.db2.gz WXPNAXKNJHWSNT-NSHDSACASA-N -1 0 328.390 2.029 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-])c(C)c1 ZINC000835344787 1372613840 /nfs/dbraw/zinc/61/38/40/1372613840.db2.gz BHCQWSOFAOVBDJ-UHFFFAOYSA-N -1 0 342.417 2.085 20 5 EEBDRM CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CC ZINC000839079844 1372891396 /nfs/dbraw/zinc/89/13/96/1372891396.db2.gz VCKFGSBRQCUZNR-UHFFFAOYSA-N -1 0 329.378 2.022 20 5 EEBDRM C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000177712250 1405762271 /nfs/dbraw/zinc/76/22/71/1405762271.db2.gz YXHBCOORJXVOQJ-GHMZBOCLSA-N -1 0 326.374 2.226 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)n1 ZINC000130858811 775007475 /nfs/dbraw/zinc/00/74/75/775007475.db2.gz JTTHBJNJKUBRBD-UHFFFAOYSA-N -1 0 325.321 2.492 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000058824914 783354863 /nfs/dbraw/zinc/35/48/63/783354863.db2.gz DJKWERISBJTONY-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cncc(Cl)n2)ccc1Cl ZINC000185924216 784235622 /nfs/dbraw/zinc/23/56/22/784235622.db2.gz SKCZVISQLICQMF-UHFFFAOYSA-N -1 0 349.155 2.492 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(c2ccnc(F)c2)CC1 ZINC000824805349 788309015 /nfs/dbraw/zinc/30/90/15/788309015.db2.gz KJECFZQZISUTPU-UHFFFAOYSA-N -1 0 332.335 2.157 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000805897414 788609509 /nfs/dbraw/zinc/60/95/09/788609509.db2.gz LRRCSYXIIXREDF-UHFFFAOYSA-N -1 0 340.401 2.020 20 5 EEBDRM CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000843954327 788752977 /nfs/dbraw/zinc/75/29/77/788752977.db2.gz GNNDREXYYFQCEG-SFHVURJKSA-N -1 0 342.351 2.206 20 5 EEBDRM O=C(CNc1ccccc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092547165 792901818 /nfs/dbraw/zinc/90/18/18/792901818.db2.gz DUHQWFWZOYJTBF-UHFFFAOYSA-N -1 0 332.272 2.259 20 5 EEBDRM C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000151761516 794143694 /nfs/dbraw/zinc/14/36/94/794143694.db2.gz NNXJUPBMSLIZEO-VHSXEESVSA-N -1 0 344.364 2.365 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000345985190 939128502 /nfs/dbraw/zinc/12/85/02/939128502.db2.gz SZIDENKHNNXDDT-AWEZNQCLSA-N -1 0 330.296 2.159 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC001595164622 952203728 /nfs/dbraw/zinc/20/37/28/952203728.db2.gz LRXQQBXPWLBLQV-SECBINFHSA-N -1 0 344.270 2.133 20 5 EEBDRM CNc1c(C(=O)NCc2cccc(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001593803075 954859652 /nfs/dbraw/zinc/85/96/52/954859652.db2.gz CAAVQSTVHSSWDF-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM CC[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001589524932 955102898 /nfs/dbraw/zinc/10/28/98/955102898.db2.gz ZNMXVKJHFQIKBZ-SECBINFHSA-N -1 0 328.752 2.408 20 5 EEBDRM COCCN(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000901585847 956355244 /nfs/dbraw/zinc/35/52/44/956355244.db2.gz AOSSCTWHHBWOFN-UHFFFAOYSA-N -1 0 336.266 2.147 20 5 EEBDRM Nc1c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC001594660261 956527647 /nfs/dbraw/zinc/52/76/47/956527647.db2.gz UYXYJCUJMSZPLQ-CHWSQXEVSA-N -1 0 341.323 2.220 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC001574770674 957756729 /nfs/dbraw/zinc/75/67/29/957756729.db2.gz PPWUAVWJLPADJU-LVQVYYBASA-N -1 0 344.367 2.268 20 5 EEBDRM O=C([O-])[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162337520 959208370 /nfs/dbraw/zinc/20/83/70/959208370.db2.gz VSAGZDRAVQAZHG-SECBINFHSA-N -1 0 329.150 2.264 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CC1 ZINC001588589043 959330462 /nfs/dbraw/zinc/33/04/62/959330462.db2.gz CUJFTKXCNSPNER-LURJTMIESA-N -1 0 330.699 2.465 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001573767940 960633414 /nfs/dbraw/zinc/63/34/14/960633414.db2.gz HHRFDNHOIQDZCV-GFCCVEGCSA-N -1 0 331.328 2.265 20 5 EEBDRM CC(C)[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC001588822999 961640649 /nfs/dbraw/zinc/64/06/49/961640649.db2.gz HNBVXRZGZWEFER-ZDUSSCGKSA-N -1 0 335.360 2.019 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001574015521 961940913 /nfs/dbraw/zinc/94/09/13/961940913.db2.gz BSWPJRFUXWPSGR-OLZOCXBDSA-N -1 0 335.360 2.032 20 5 EEBDRM COc1cc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001574185672 962829854 /nfs/dbraw/zinc/82/98/54/962829854.db2.gz YUAVRCXYVAJRLH-KOLCDFICSA-N -1 0 326.324 2.285 20 5 EEBDRM COc1cc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001574185674 962830733 /nfs/dbraw/zinc/83/07/33/962830733.db2.gz YUAVRCXYVAJRLH-ONGXEEELSA-N -1 0 326.324 2.285 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1C(=O)[O-] ZINC001603425120 973143195 /nfs/dbraw/zinc/14/31/95/973143195.db2.gz DWSRBNZFYLGJQB-KOLCDFICSA-N -1 0 331.328 2.259 20 5 EEBDRM Cc1nn(CCC(=O)Nc2c(C)cccc2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC001605322527 973163608 /nfs/dbraw/zinc/16/36/08/973163608.db2.gz ZNRLJJPWBSGHMT-UHFFFAOYSA-N -1 0 346.343 2.444 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001605710095 974142605 /nfs/dbraw/zinc/14/26/05/974142605.db2.gz ZMKDECGGXCFRJG-HNNXBMFYSA-N -1 0 332.287 2.219 20 5 EEBDRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001592199556 977188729 /nfs/dbraw/zinc/18/87/29/977188729.db2.gz BMVCOARIEKVMBP-XDVGHUOJSA-N -1 0 343.133 2.116 20 5 EEBDRM C[C@@](NC(=O)Cc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593039750 980320015 /nfs/dbraw/zinc/32/00/15/980320015.db2.gz GDKBMKPVERQOFU-KRWDZBQOSA-N -1 0 346.314 2.393 20 5 EEBDRM CCN(CC)C(=O)CCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001596245992 983644842 /nfs/dbraw/zinc/64/48/42/983644842.db2.gz KYKZJEGCJHEYFW-UHFFFAOYSA-N -1 0 337.376 2.282 20 5 EEBDRM Cc1[nH]c(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC001599960664 985775836 /nfs/dbraw/zinc/77/58/36/985775836.db2.gz VQSYFLZDXMHTBS-UHFFFAOYSA-N -1 0 348.311 2.474 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nn(C)cc2C(=O)[O-])c1 ZINC001599823061 988547744 /nfs/dbraw/zinc/54/77/44/988547744.db2.gz VORXVKMZJLBMPI-UHFFFAOYSA-N -1 0 336.329 2.001 20 5 EEBDRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])c1c(F)cccc1[N+](=O)[O-] ZINC001589892908 988589597 /nfs/dbraw/zinc/58/95/97/988589597.db2.gz YEKLKWNOPSNJBL-UHFFFAOYSA-N -1 0 342.323 2.357 20 5 EEBDRM C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1CC(=O)[O-] ZINC001599868157 989304583 /nfs/dbraw/zinc/30/45/83/989304583.db2.gz GSGQERCJMQBXID-MWLCHTKSSA-N -1 0 333.344 2.027 20 5 EEBDRM CN(C)C(=O)c1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001598151873 990637707 /nfs/dbraw/zinc/63/77/07/990637707.db2.gz MDPIIHUSKIWSNH-UHFFFAOYSA-N -1 0 344.327 2.002 20 5 EEBDRM CN(CC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1[N+](=O)[O-] ZINC001598392457 991645634 /nfs/dbraw/zinc/64/56/34/991645634.db2.gz NRIFUMNDFMGEJP-UHFFFAOYSA-N -1 0 349.387 2.182 20 5 EEBDRM CN(CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001598396657 991661241 /nfs/dbraw/zinc/66/12/41/991661241.db2.gz DCBGHOJPQXLYMD-UHFFFAOYSA-N -1 0 343.339 2.364 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001599622044 994097373 /nfs/dbraw/zinc/09/73/73/994097373.db2.gz MPIYUGRZQCRYGG-DYEKYZERSA-N -1 0 348.355 2.319 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001599622445 994102477 /nfs/dbraw/zinc/10/24/77/994102477.db2.gz NGWFZMPKOUMVMA-HWKANZROSA-N -1 0 346.295 2.224 20 5 EEBDRM COC(=O)CCCCCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001598850784 996601756 /nfs/dbraw/zinc/60/17/56/996601756.db2.gz HOIQEXHCECOPQY-UHFFFAOYSA-N -1 0 325.321 2.223 20 5 EEBDRM CC1(C)C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1(=O)=O ZINC001593859850 996652388 /nfs/dbraw/zinc/65/23/88/996652388.db2.gz LSKHQPHFHGXJJG-SNVBAGLBSA-N -1 0 342.373 2.061 20 5 EEBDRM COc1ccc(C(=O)[O-])c2c1CN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001599498619 997066577 /nfs/dbraw/zinc/06/65/77/997066577.db2.gz UUEDMIRIGXUHTP-UHFFFAOYSA-N -1 0 347.302 2.398 20 5 EEBDRM C[C@]1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CCC(=O)N1 ZINC001594033619 997621512 /nfs/dbraw/zinc/62/15/12/997621512.db2.gz ZNCOMNCZNGYJJB-CYBMUJFWSA-N -1 0 327.724 2.027 20 5 EEBDRM CC1=C[C@H](C)CN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594109938 998199869 /nfs/dbraw/zinc/19/98/69/998199869.db2.gz NTQIDTIJFZGSFH-JQWIXIFHSA-N -1 0 347.371 2.200 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)/C=C\C(=O)[O-])cc1SC ZINC001599462446 998296896 /nfs/dbraw/zinc/29/68/96/998296896.db2.gz TYXJQMFSXPSVPB-LGYSABEFSA-N -1 0 340.357 2.084 20 5 EEBDRM COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599462679 998301111 /nfs/dbraw/zinc/30/11/11/998301111.db2.gz FVSDWPVNUIWECU-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM C[C@@H]1C[C@@H]1CNc1nc(NC[C@H]2C[C@@H]2C)c([N+](=O)[O-])c(C(=O)[O-])n1 ZINC001594278456 999078572 /nfs/dbraw/zinc/07/85/72/999078572.db2.gz XUGNNOYTQGHGDE-SGIHWFKDSA-N -1 0 335.364 2.219 20 5 EEBDRM O=C([O-])C1(C(=O)OCc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001608567302 1124101863 /nfs/dbraw/zinc/10/18/63/1124101863.db2.gz QXWFJNHJBDODGZ-UHFFFAOYSA-N -1 0 344.117 2.265 20 5 EEBDRM COc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000055546947 214328246 /nfs/dbraw/zinc/32/82/46/214328246.db2.gz GVTNXESSDUESFQ-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM CN(C(=O)CNc1ccccc1[N+](=O)[O-])C1(C(=O)[O-])CCCCC1 ZINC000191311143 239033949 /nfs/dbraw/zinc/03/39/49/239033949.db2.gz WKHZOQMUELZDBF-UHFFFAOYSA-N -1 0 335.360 2.253 20 5 EEBDRM Cc1noc(C)c1[C@H](C)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000191674174 239246308 /nfs/dbraw/zinc/24/63/08/239246308.db2.gz KXWZWBDTLODCDG-MRVPVSSYSA-N -1 0 347.327 2.431 20 5 EEBDRM CC(C)C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(=O)[O-] ZINC000424403104 240926938 /nfs/dbraw/zinc/92/69/38/240926938.db2.gz AOAXOGCRLSFREC-CYBMUJFWSA-N -1 0 349.387 2.409 20 5 EEBDRM Cc1oc(CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000262526984 245017640 /nfs/dbraw/zinc/01/76/40/245017640.db2.gz RVWQJLAERHQXNC-UHFFFAOYSA-N -1 0 348.311 2.232 20 5 EEBDRM CCC[C@](C)(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000262576536 245041239 /nfs/dbraw/zinc/04/12/39/245041239.db2.gz DOEUAGYHENGYNG-INIZCTEOSA-N -1 0 347.327 2.222 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H](C)C(=O)[O-])cc1SC ZINC000262897101 245239005 /nfs/dbraw/zinc/23/90/05/245239005.db2.gz AZRYTTKPBZKSJU-QMMMGPOBSA-N -1 0 342.373 2.118 20 5 EEBDRM C[C@]1(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCC[C@H]1C(=O)[O-] ZINC000262918869 245250942 /nfs/dbraw/zinc/25/09/42/245250942.db2.gz IMRYUQNSSPFFSI-ZBEGNZNMSA-N -1 0 346.343 2.234 20 5 EEBDRM C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC000262999398 245292746 /nfs/dbraw/zinc/29/27/46/245292746.db2.gz OTHQXTQUIXFEPE-DOMZBBRYSA-N -1 0 349.387 2.356 20 5 EEBDRM CCC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC000263206258 245359962 /nfs/dbraw/zinc/35/99/62/245359962.db2.gz OJRWYKNNUZJESR-SNVBAGLBSA-N -1 0 331.328 2.374 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN2CCOc3cccc1c32 ZINC000363860210 296221653 /nfs/dbraw/zinc/22/16/53/296221653.db2.gz GTLZMSTYHXCACY-UHFFFAOYSA-N -1 0 341.323 2.160 20 5 EEBDRM CCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n(C)n1 ZINC000092877059 218179069 /nfs/dbraw/zinc/17/90/69/218179069.db2.gz AUMAWJSSNSFUEW-UHFFFAOYSA-N -1 0 342.352 2.221 20 5 EEBDRM CO[C@@H](C)c1nc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cs1 ZINC000269326031 255564929 /nfs/dbraw/zinc/56/49/29/255564929.db2.gz MZTRTRWEGXBGKU-QMMMGPOBSA-N -1 0 337.357 2.394 20 5 EEBDRM Cc1ccc(NC(=O)CN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000176293571 255870088 /nfs/dbraw/zinc/87/00/88/255870088.db2.gz JNEJBTGKERUTGT-UHFFFAOYSA-N -1 0 343.339 2.320 20 5 EEBDRM COCCC(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000273623765 256312298 /nfs/dbraw/zinc/31/22/98/256312298.db2.gz RFBKISRBYZTGQZ-UHFFFAOYSA-N -1 0 334.369 2.075 20 5 EEBDRM CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000273461352 256298810 /nfs/dbraw/zinc/29/88/10/256298810.db2.gz QPYRQZJZPFGNSP-UHFFFAOYSA-N -1 0 338.360 2.494 20 5 EEBDRM O=C(NCCc1ccc2c(c1)CCO2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356584155 141021183 /nfs/dbraw/zinc/02/11/83/141021183.db2.gz WFYHLADTBFOLHK-UHFFFAOYSA-N -1 0 328.324 2.208 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCSCC(=O)[O-] ZINC000262995738 152353031 /nfs/dbraw/zinc/35/30/31/152353031.db2.gz UCEBDUORTZNBGM-UHFFFAOYSA-N -1 0 344.414 2.254 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000263224816 152403999 /nfs/dbraw/zinc/40/39/99/152403999.db2.gz PURPHCPDBXAEKM-UHFFFAOYSA-N -1 0 346.343 2.480 20 5 EEBDRM Cn1cnc(-c2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2)n1 ZINC000357743290 153319021 /nfs/dbraw/zinc/31/90/21/153319021.db2.gz JUPQNUNFKLEUJF-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM C[S@](=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000125328044 292295784 /nfs/dbraw/zinc/29/57/84/292295784.db2.gz AHTBBLNKEZPLKG-HSZRJFAPSA-N -1 0 334.353 2.431 20 5 EEBDRM O=C([N-]c1nnc(C=Cc2ccco2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000135259975 292444180 /nfs/dbraw/zinc/44/41/80/292444180.db2.gz YKLJVHDONXRYJX-ONEGZZNKSA-N -1 0 332.301 2.185 20 5 EEBDRM CNC(=O)Nc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC000341935358 161025283 /nfs/dbraw/zinc/02/52/83/161025283.db2.gz NMQUUPCOWUGIGY-UHFFFAOYSA-N -1 0 348.290 2.443 20 5 EEBDRM O=C(Nc1cccc(N2CCC2=O)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000344896757 161254692 /nfs/dbraw/zinc/25/46/92/161254692.db2.gz SKOKAAAAPGTAPG-UHFFFAOYSA-N -1 0 327.296 2.289 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345637845 161318792 /nfs/dbraw/zinc/31/87/92/161318792.db2.gz XGVIMJZLWVUVDG-UHFFFAOYSA-N -1 0 328.687 2.237 20 5 EEBDRM O=C([O-])Cn1ccc2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc21 ZINC000345859004 161337929 /nfs/dbraw/zinc/33/79/29/161337929.db2.gz FMPRWTBMGXQPBF-UHFFFAOYSA-N -1 0 328.284 2.215 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2c(C)cccc2O)ccc1[N+](=O)[O-] ZINC000346410552 161370327 /nfs/dbraw/zinc/37/03/27/161370327.db2.gz NWWZDCRUMDSWPW-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM COc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000347346046 161445129 /nfs/dbraw/zinc/44/51/29/161445129.db2.gz LBGKXBZPQKFCRT-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000358596424 163939285 /nfs/dbraw/zinc/93/92/85/163939285.db2.gz VRQRUUOVNFDKLM-UHFFFAOYSA-N -1 0 347.302 2.274 20 5 EEBDRM COCCC1(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCC1 ZINC000360376931 164295650 /nfs/dbraw/zinc/29/56/50/164295650.db2.gz KHHYTSIKVLTRCX-UHFFFAOYSA-N -1 0 342.417 2.449 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC000281757058 269443653 /nfs/dbraw/zinc/44/36/53/269443653.db2.gz FIWXBDRQCYFNJW-KDQQEYKFSA-N -1 0 330.340 2.321 20 5 EEBDRM Cc1nncn1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000185759009 274022520 /nfs/dbraw/zinc/02/25/20/274022520.db2.gz DITYUQJUAPXTLS-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-] ZINC000275286266 274234973 /nfs/dbraw/zinc/23/49/73/274234973.db2.gz SQZGCZQWXCMRLB-VIFPVBQESA-N -1 0 344.389 2.071 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237026254 289613342 /nfs/dbraw/zinc/61/33/42/289613342.db2.gz FLCFIQLUPKBILO-UHFFFAOYSA-N -1 0 335.360 2.132 20 5 EEBDRM CN1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c2ccccc2C1=O ZINC000365996123 290302035 /nfs/dbraw/zinc/30/20/35/290302035.db2.gz KTKKSORJIYVVPP-ZDUSSCGKSA-N -1 0 341.323 2.108 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000282084387 292809093 /nfs/dbraw/zinc/80/90/93/292809093.db2.gz UURKRNIHLZJJEO-UHFFFAOYSA-N -1 0 341.345 2.399 20 5 EEBDRM CC(C)(C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1)C(N)=O ZINC000295614541 293768918 /nfs/dbraw/zinc/76/89/18/293768918.db2.gz JCAWPKUIWSSMIX-NSHDSACASA-N -1 0 349.387 2.054 20 5 EEBDRM C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000326096598 311603218 /nfs/dbraw/zinc/60/32/18/311603218.db2.gz UPBZVRGLSPZWNX-SMDDNHRTSA-N -1 0 335.360 2.032 20 5 EEBDRM CC(C)[C@]1(C(=O)[O-])CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000327658754 311605237 /nfs/dbraw/zinc/60/52/37/311605237.db2.gz GJXPQCYMODWZGP-INIZCTEOSA-N -1 0 346.343 2.181 20 5 EEBDRM CC(C)O[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000416532985 313248517 /nfs/dbraw/zinc/24/85/17/313248517.db2.gz YOAOSWSXUZXXDR-JGZJWPJOSA-N -1 0 348.808 2.483 20 5 EEBDRM Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)C(=O)[O-])cc1 ZINC000431526109 314639445 /nfs/dbraw/zinc/63/94/45/314639445.db2.gz RWPIEWOTEXUKFM-HNNXBMFYSA-N -1 0 343.339 2.205 20 5 EEBDRM COC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])nc1C ZINC000436734500 314993521 /nfs/dbraw/zinc/99/35/21/314993521.db2.gz AFNLIDOINCLWAY-UHFFFAOYSA-N -1 0 337.313 2.104 20 5 EEBDRM CCOC(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436776144 314997639 /nfs/dbraw/zinc/99/76/39/314997639.db2.gz UEISIFCUSIVYNF-UHFFFAOYSA-N -1 0 344.323 2.407 20 5 EEBDRM COc1ccc2c(c1)OC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000436890177 315009699 /nfs/dbraw/zinc/00/96/99/315009699.db2.gz DUFSSNXIXQEDCS-LLVKDONJSA-N -1 0 344.323 2.043 20 5 EEBDRM O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436918908 315012812 /nfs/dbraw/zinc/01/28/12/315012812.db2.gz LANATDGBFUUGJK-UHFFFAOYSA-N -1 0 325.280 2.394 20 5 EEBDRM CCCOc1ncccc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436967635 315018043 /nfs/dbraw/zinc/01/80/43/315018043.db2.gz QTGVZIBOKSTJHZ-UHFFFAOYSA-N -1 0 331.328 2.414 20 5 EEBDRM COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc21 ZINC000436970622 315018115 /nfs/dbraw/zinc/01/81/15/315018115.db2.gz FHCWUQQMWNJIGB-CYBMUJFWSA-N -1 0 342.307 2.217 20 5 EEBDRM COC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436990184 315020543 /nfs/dbraw/zinc/02/05/43/315020543.db2.gz PIPQGNJEODCLNL-CYBMUJFWSA-N -1 0 330.340 2.288 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000541881992 318115302 /nfs/dbraw/zinc/11/53/02/318115302.db2.gz VAJNGSSKFQLVEY-GFCCVEGCSA-N -1 0 348.277 2.076 20 5 EEBDRM O=C([O-])c1occc1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000564217895 319073014 /nfs/dbraw/zinc/07/30/14/319073014.db2.gz HZZGBLPPSCYQDN-UHFFFAOYSA-N -1 0 331.328 2.208 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2n[nH]cc2SC)cc1[N+](=O)[O-] ZINC000565480274 319186907 /nfs/dbraw/zinc/18/69/07/319186907.db2.gz BXQYLRCHZBNWIE-UHFFFAOYSA-N -1 0 342.402 2.403 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@H](CO)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000565483438 319187182 /nfs/dbraw/zinc/18/71/82/319187182.db2.gz ITNDVXLRWUGFCW-GFCCVEGCSA-N -1 0 334.328 2.078 20 5 EEBDRM O=C(NCCOC(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565777344 319213637 /nfs/dbraw/zinc/21/36/37/319213637.db2.gz KLKYENINYFYLFO-UHFFFAOYSA-N -1 0 328.630 2.220 20 5 EEBDRM Cc1cc(N2CCN(c3ccccn3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566295049 319271055 /nfs/dbraw/zinc/27/10/55/319271055.db2.gz PFXMROHEZIRYJF-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000572360313 319839148 /nfs/dbraw/zinc/83/91/48/319839148.db2.gz RKJADVWOCBWYHZ-GFCCVEGCSA-N -1 0 342.373 2.150 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCN(CC2CC2)CC1 ZINC000573686802 319957464 /nfs/dbraw/zinc/95/74/64/319957464.db2.gz VMXYHXBAUBFFDM-UHFFFAOYSA-N -1 0 339.779 2.122 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000391698385 323547865 /nfs/dbraw/zinc/54/78/65/323547865.db2.gz PSQDXSSCSKOIRA-LLVKDONJSA-N -1 0 336.344 2.320 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@]1(C)C(=O)[O-] ZINC000580567724 324090279 /nfs/dbraw/zinc/09/02/79/324090279.db2.gz IZVBZPOHURKKKN-XLKFXECMSA-N -1 0 326.736 2.431 20 5 EEBDRM CC(C)CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000581308543 324227265 /nfs/dbraw/zinc/22/72/65/324227265.db2.gz SEWAQTWLEPDYMT-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000083955545 463569235 /nfs/dbraw/zinc/56/92/35/463569235.db2.gz AGWQJULYJYGMBB-UHFFFAOYSA-N -1 0 340.386 2.433 20 5 EEBDRM O=C(CCCNC(=O)[C@H]1CC=CCC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000337046983 465164185 /nfs/dbraw/zinc/16/41/85/465164185.db2.gz MWGRCRKCXRTGIV-LBPRGKRZSA-N -1 0 347.371 2.492 20 5 EEBDRM CCn1cc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cn1 ZINC000590598306 468283756 /nfs/dbraw/zinc/28/37/56/468283756.db2.gz VDPINQVLJKCYAT-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc3ccccn3n2)c1C ZINC000552036854 468301337 /nfs/dbraw/zinc/30/13/37/468301337.db2.gz FFPKSLMFIJKWLT-UHFFFAOYSA-N -1 0 346.368 2.660 20 5 EEBDRM Cc1noc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)n1 ZINC000065104118 462737441 /nfs/dbraw/zinc/73/74/41/462737441.db2.gz GTMQAQJDFCSNDE-UHFFFAOYSA-N -1 0 332.316 2.012 20 5 EEBDRM CC1(C(=O)[O-])CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000093433618 463036548 /nfs/dbraw/zinc/03/65/48/463036548.db2.gz KNBNIMLDOYCXPG-UHFFFAOYSA-N -1 0 344.165 2.443 20 5 EEBDRM O=C1CCCCN1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000093741445 463045887 /nfs/dbraw/zinc/04/58/87/463045887.db2.gz QCXFLXHJKFUXCT-UHFFFAOYSA-N -1 0 333.388 2.277 20 5 EEBDRM CC[C@@H](C)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000521869846 468336465 /nfs/dbraw/zinc/33/64/65/468336465.db2.gz UOQFQDJCQSURFJ-BDAKNGLRSA-N -1 0 330.362 2.006 20 5 EEBDRM Cc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])no1 ZINC000147064640 463391131 /nfs/dbraw/zinc/39/11/31/463391131.db2.gz OUFQDUXUJHJYAA-UHFFFAOYSA-N -1 0 331.737 2.023 20 5 EEBDRM CCc1ncc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cn1 ZINC000161909043 463467727 /nfs/dbraw/zinc/46/77/27/463467727.db2.gz WHQXCBKRCWEYTB-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM Cc1cc(C)cc(C(=O)NCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000194053656 463781456 /nfs/dbraw/zinc/78/14/56/463781456.db2.gz IBXFJHQMTFEOJJ-UHFFFAOYSA-N -1 0 343.339 2.286 20 5 EEBDRM O=C(NCCN1CCc2sccc2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269188473 463903353 /nfs/dbraw/zinc/90/33/53/463903353.db2.gz NLCATFCUOCEZLQ-UHFFFAOYSA-N -1 0 347.396 2.150 20 5 EEBDRM COCCC1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC000262099664 463947285 /nfs/dbraw/zinc/94/72/85/463947285.db2.gz IVPXBSAXPNFVSZ-UHFFFAOYSA-N -1 0 336.344 2.230 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000262136355 463956557 /nfs/dbraw/zinc/95/65/57/463956557.db2.gz LLHITGLUUKMHAN-LBPRGKRZSA-N -1 0 349.387 2.376 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000262236159 463979234 /nfs/dbraw/zinc/97/92/34/463979234.db2.gz ZFSHHRRCUBMDHM-AWEZNQCLSA-N -1 0 332.356 2.241 20 5 EEBDRM CCO[C@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C12CCC2 ZINC000262345247 464006833 /nfs/dbraw/zinc/00/68/33/464006833.db2.gz AHSQFNVAKKZSFG-KBPBESRZSA-N -1 0 348.355 2.371 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000262373885 464012912 /nfs/dbraw/zinc/01/29/12/464012912.db2.gz BIXFAOHTBCDLGW-CQSZACIVSA-N -1 0 331.328 2.015 20 5 EEBDRM C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000179387258 464125786 /nfs/dbraw/zinc/12/57/86/464125786.db2.gz UAXBIVQGWCCQAE-HNNXBMFYSA-N -1 0 329.356 2.333 20 5 EEBDRM CCC[C@@](C)(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000236956366 464244666 /nfs/dbraw/zinc/24/46/66/464244666.db2.gz FNKVMCVRKQEPHM-MRXNPFEDSA-N -1 0 333.344 2.378 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000237027828 464253193 /nfs/dbraw/zinc/25/31/93/464253193.db2.gz IMIJHFUZINBUQV-ABAIWWIYSA-N -1 0 349.387 2.424 20 5 EEBDRM CC(C)(C)OC(=O)NC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000271429613 464309237 /nfs/dbraw/zinc/30/92/37/464309237.db2.gz GEBXMDSPGHBAFX-UHFFFAOYSA-N -1 0 337.332 2.296 20 5 EEBDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000180756531 464388179 /nfs/dbraw/zinc/38/81/79/464388179.db2.gz JAKUCIWFKBJHGV-UHFFFAOYSA-N -1 0 335.341 2.302 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000246525022 464595128 /nfs/dbraw/zinc/59/51/28/464595128.db2.gz DVPOWUBOMJNMIZ-MNDBLIDSSA-N -1 0 340.401 2.110 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000282253375 464753686 /nfs/dbraw/zinc/75/36/86/464753686.db2.gz VWKSFNWTMCDORK-OAGGEKHMSA-N -1 0 334.372 2.456 20 5 EEBDRM CCCC[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000192723756 464984481 /nfs/dbraw/zinc/98/44/81/464984481.db2.gz PSSIUWYBKGAACP-GFCCVEGCSA-N -1 0 346.343 2.154 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000569224820 468459518 /nfs/dbraw/zinc/45/95/18/468459518.db2.gz FUQFJBCBONUUOQ-MEDUHNTESA-N -1 0 336.344 2.067 20 5 EEBDRM Nc1c(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000362677410 465931044 /nfs/dbraw/zinc/93/10/44/465931044.db2.gz XZGPQXUQBQQXIT-OAHLLOKOSA-N -1 0 341.323 2.001 20 5 EEBDRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000354209216 466378165 /nfs/dbraw/zinc/37/81/65/466378165.db2.gz SIKIBHQVPBJKGN-UHFFFAOYSA-N -1 0 326.268 2.190 20 5 EEBDRM NC(=O)Nc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1F ZINC000350401088 466482433 /nfs/dbraw/zinc/48/24/33/466482433.db2.gz KYWOGKIOSAXJQR-UHFFFAOYSA-N -1 0 334.263 2.182 20 5 EEBDRM CN(c1ccc(F)cc1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000315209548 466559570 /nfs/dbraw/zinc/55/95/70/466559570.db2.gz FSDZDBHIRJVAKO-UHFFFAOYSA-N -1 0 326.305 2.265 20 5 EEBDRM O=C([O-])c1cccc(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000347386375 466603912 /nfs/dbraw/zinc/60/39/12/466603912.db2.gz XVCVFATWZARRQT-UHFFFAOYSA-N -1 0 326.308 2.425 20 5 EEBDRM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000363799934 466623448 /nfs/dbraw/zinc/62/34/48/466623448.db2.gz LXFVSOQLJJBGSG-ZDUSSCGKSA-N -1 0 330.344 2.320 20 5 EEBDRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000324536823 466647950 /nfs/dbraw/zinc/64/79/50/466647950.db2.gz IURKHUFWMIDPSS-AWEZNQCLSA-N -1 0 329.312 2.412 20 5 EEBDRM Cc1noc(C2(C)CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000374737835 466730150 /nfs/dbraw/zinc/73/01/50/466730150.db2.gz UMPUFRDJPVAPTB-UHFFFAOYSA-N -1 0 346.343 2.186 20 5 EEBDRM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c1 ZINC000436515815 467542783 /nfs/dbraw/zinc/54/27/83/467542783.db2.gz TUZUPAQVZPTUEM-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000493697823 467966234 /nfs/dbraw/zinc/96/62/34/467966234.db2.gz VSPDMNHSWOWSEA-CEBVKENUSA-N -1 0 336.319 2.316 20 5 EEBDRM CC[C@]1(C)CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000516648487 468040095 /nfs/dbraw/zinc/04/00/95/468040095.db2.gz YKDZBGHWYKLHNK-CQSZACIVSA-N -1 0 342.373 2.104 20 5 EEBDRM CNc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000516799866 468047685 /nfs/dbraw/zinc/04/76/85/468047685.db2.gz JLVONUKUTCBSDZ-NSHDSACASA-N -1 0 335.360 2.354 20 5 EEBDRM O=C(Nc1ncn(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000532659365 468129881 /nfs/dbraw/zinc/12/98/81/468129881.db2.gz IHEUAPYXQKXYEN-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CO[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])Cc1ccccc1 ZINC000567976962 468247019 /nfs/dbraw/zinc/24/70/19/468247019.db2.gz WNNUEUIZARYYMP-LBPRGKRZSA-N -1 0 331.328 2.358 20 5 EEBDRM Cn1ncc2ccc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21 ZINC000520471025 468251981 /nfs/dbraw/zinc/25/19/81/468251981.db2.gz YZDKPWDPRHEMML-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000600866715 468671185 /nfs/dbraw/zinc/67/11/85/468671185.db2.gz NTQLUWLIOSRKND-LBPRGKRZSA-N -1 0 332.356 2.340 20 5 EEBDRM C[C@@](NC(=O)CCC(F)(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876452 468673621 /nfs/dbraw/zinc/67/36/21/468673621.db2.gz QSRHSWOIWAIVHD-LBPRGKRZSA-N -1 0 334.250 2.353 20 5 EEBDRM COc1cc(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000595248741 468792951 /nfs/dbraw/zinc/79/29/51/468792951.db2.gz CFWBPKBKGDJWPV-XJKSGUPXSA-N -1 0 336.344 2.285 20 5 EEBDRM CC1(C)C(=O)N[C@@H]1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000571817095 468844004 /nfs/dbraw/zinc/84/40/04/468844004.db2.gz FJUQENZCARIFGG-OAHLLOKOSA-N -1 0 333.388 2.037 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593290527 468930089 /nfs/dbraw/zinc/93/00/89/468930089.db2.gz MBORVYMHIJQIHA-PRHODGIISA-N -1 0 341.751 2.124 20 5 EEBDRM COc1cc(CCNc2ccnc(C(=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000593324593 468939338 /nfs/dbraw/zinc/93/93/38/468939338.db2.gz LHBJNMUWJGUASP-UHFFFAOYSA-N -1 0 347.327 2.360 20 5 EEBDRM O=C([O-])[C@]12CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000598662506 468950666 /nfs/dbraw/zinc/95/06/66/468950666.db2.gz PVDODJWQQXPRDK-CXAGYDPISA-N -1 0 332.356 2.241 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-])c1 ZINC000562643519 469017081 /nfs/dbraw/zinc/01/70/81/469017081.db2.gz WAGSZSWZAHQQNW-LLVKDONJSA-N -1 0 344.389 2.084 20 5 EEBDRM O=C([O-])CCN(CC1CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000610844406 469087567 /nfs/dbraw/zinc/08/75/67/469087567.db2.gz OTKSMPMTGJTMTM-UHFFFAOYSA-N -1 0 347.371 2.496 20 5 EEBDRM CCOC(=O)c1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC000610908368 469108852 /nfs/dbraw/zinc/10/88/52/469108852.db2.gz FXWAGFZUIOFALQ-UHFFFAOYSA-N -1 0 334.284 2.000 20 5 EEBDRM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C(=O)[O-])O1 ZINC000593755326 469125507 /nfs/dbraw/zinc/12/55/07/469125507.db2.gz BWBKEDFOYVPRHU-RDDDGLTNSA-N -1 0 334.250 2.292 20 5 EEBDRM CCOc1cccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000612735340 469539092 /nfs/dbraw/zinc/53/90/92/469539092.db2.gz QWSMSPSIWWAUKQ-UHFFFAOYSA-N -1 0 337.357 2.330 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000613896368 469812474 /nfs/dbraw/zinc/81/24/74/469812474.db2.gz XDKOTRHGJJRXNK-MRVPVSSYSA-N -1 0 342.311 2.373 20 5 EEBDRM CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000592129917 485597744 /nfs/dbraw/zinc/59/77/44/485597744.db2.gz BITNUIDWMINHER-SECBINFHSA-N -1 0 330.362 2.102 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000158436242 534533089 /nfs/dbraw/zinc/53/30/89/534533089.db2.gz BZUWJNXBFZYMMI-GFCCVEGCSA-N -1 0 332.316 2.084 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165086338 529107634 /nfs/dbraw/zinc/10/76/34/529107634.db2.gz FXBIGANRNDRPNO-JTQLQIEISA-N -1 0 345.149 2.196 20 5 EEBDRM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cs1 ZINC000438786549 536585838 /nfs/dbraw/zinc/58/58/38/536585838.db2.gz SCWIYSBBUQQTLO-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCCCCC(=O)[O-])C1=O ZINC000737734682 576168168 /nfs/dbraw/zinc/16/81/68/576168168.db2.gz LPINLEMDGRTZMD-INIZCTEOSA-N -1 0 349.343 2.007 20 5 EEBDRM O=C([O-])NCCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000739976986 576336725 /nfs/dbraw/zinc/33/67/25/576336725.db2.gz GZIPKXCTJXIENM-UHFFFAOYSA-N -1 0 337.313 2.143 20 5 EEBDRM CS[C@H](CO)[C@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000738180869 576711968 /nfs/dbraw/zinc/71/19/68/576711968.db2.gz FZMHKKNSRAOQAY-YWVMRYDCSA-N -1 0 326.374 2.217 20 5 EEBDRM CCNC(=O)c1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000737858820 577080516 /nfs/dbraw/zinc/08/05/16/577080516.db2.gz XVAQJKLJUGPRED-UHFFFAOYSA-N -1 0 344.327 2.050 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000732906095 577196768 /nfs/dbraw/zinc/19/67/68/577196768.db2.gz LPMOCZCDEBRKHH-MQGYJPLLSA-N -1 0 340.401 2.490 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000734703941 577321943 /nfs/dbraw/zinc/32/19/43/577321943.db2.gz JYGQIOHTDCHLQX-SNVBAGLBSA-N -1 0 328.390 2.223 20 5 EEBDRM COc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000776194409 577454263 /nfs/dbraw/zinc/45/42/63/577454263.db2.gz JCUKJIXJUSXUND-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM CCCCCC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)[O-] ZINC000777369211 577477377 /nfs/dbraw/zinc/47/73/77/577477377.db2.gz JRDVOQGAOJBSDW-HNNXBMFYSA-N -1 0 325.365 2.477 20 5 EEBDRM O=C(NC[C@@H](O)c1ccccc1Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769504378 577579343 /nfs/dbraw/zinc/57/93/43/577579343.db2.gz WXLLCNAVNORPCY-CQSZACIVSA-N -1 0 336.731 2.417 20 5 EEBDRM O=C([O-])NCCC(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000738655739 578023012 /nfs/dbraw/zinc/02/30/12/578023012.db2.gz NCZQECTWMSFCAL-UHFFFAOYSA-N -1 0 347.121 2.058 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C(=O)[O-])c1ccccc1 ZINC000738664688 578023218 /nfs/dbraw/zinc/02/32/18/578023218.db2.gz LTWLBPKHWQDEOQ-INIZCTEOSA-N -1 0 343.339 2.257 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccc3nccn3c2)cc([N+](=O)[O-])c1 ZINC000738672439 578023412 /nfs/dbraw/zinc/02/34/12/578023412.db2.gz GIHBOKCMHBDHOA-UHFFFAOYSA-N -1 0 326.268 2.193 20 5 EEBDRM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738908820 578030686 /nfs/dbraw/zinc/03/06/86/578030686.db2.gz NGJWLCOEOQCFDF-QMMMGPOBSA-N -1 0 346.343 2.386 20 5 EEBDRM Nc1c(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc(F)cc1[N+](=O)[O-] ZINC000739205705 578043928 /nfs/dbraw/zinc/04/39/28/578043928.db2.gz XWVQLPLBVMSCIK-UHFFFAOYSA-N -1 0 348.290 2.336 20 5 EEBDRM O=C([O-])NCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000739972022 578076058 /nfs/dbraw/zinc/07/60/58/578076058.db2.gz CPJGDCKDTBAOHC-UHFFFAOYSA-N -1 0 337.332 2.010 20 5 EEBDRM O=C([O-])c1cc(OCc2nc(CC(F)(F)F)no2)ccc1[N+](=O)[O-] ZINC000740086920 578080332 /nfs/dbraw/zinc/08/03/32/578080332.db2.gz DKRQTBGHBDREGI-UHFFFAOYSA-N -1 0 347.205 2.360 20 5 EEBDRM CC(C)(CC(=O)[O-])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000736309657 578194787 /nfs/dbraw/zinc/19/47/87/578194787.db2.gz FLONMDCAAGQINB-UHFFFAOYSA-N -1 0 349.387 2.181 20 5 EEBDRM COC(=O)N1CCC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737632736 578267694 /nfs/dbraw/zinc/26/76/94/578267694.db2.gz IGLMAMPSKOUUQU-HWPRWLFBSA-N -1 0 349.343 2.335 20 5 EEBDRM O=C([O-])C1(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCCC1 ZINC000821399677 597709225 /nfs/dbraw/zinc/70/92/25/597709225.db2.gz JXWAGGUUPJSQDH-UHFFFAOYSA-N -1 0 344.270 2.323 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)c1 ZINC000832957388 600707052 /nfs/dbraw/zinc/70/70/52/600707052.db2.gz CEODPCGMJUKNAF-UHFFFAOYSA-N -1 0 333.252 2.234 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCCOc2cccc([N+](=O)[O-])c2)C1 ZINC000833190414 601180935 /nfs/dbraw/zinc/18/09/35/601180935.db2.gz WZZPBKVVSLQWAT-RYUDHWBXSA-N -1 0 337.328 2.408 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@](F)(C(=O)[O-])C1 ZINC000827058285 601439922 /nfs/dbraw/zinc/43/99/22/601439922.db2.gz AHSVNANSOCWTGL-OAHLLOKOSA-N -1 0 326.324 2.381 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000828672178 601480691 /nfs/dbraw/zinc/48/06/91/601480691.db2.gz OIARZYBWNPPDED-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C(=O)[O-] ZINC000828360902 601680066 /nfs/dbraw/zinc/68/00/66/601680066.db2.gz DDWPPDZEJHFXGP-LDYMZIIASA-N -1 0 341.751 2.110 20 5 EEBDRM CCCc1[nH]nc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1[N+](=O)[O-] ZINC000829550093 601878769 /nfs/dbraw/zinc/87/87/69/601878769.db2.gz NKNSSWNRHNNVCC-UHFFFAOYSA-N -1 0 336.279 2.360 20 5 EEBDRM CC[C@@]1(C)CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829050905 602152248 /nfs/dbraw/zinc/15/22/48/602152248.db2.gz XIBWTDQKDHIVCH-GTNSWQLSSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@H](O)C(F)(F)F)cc1Cl ZINC000833307853 602254095 /nfs/dbraw/zinc/25/40/95/602254095.db2.gz QOBDYUVHAZMPNK-QMMMGPOBSA-N -1 0 328.630 2.282 20 5 EEBDRM Cc1cc(N2CCC[C@H]2Cn2cccn2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889957 602317060 /nfs/dbraw/zinc/31/70/60/602317060.db2.gz BXSSCBACVPHRPN-LBPRGKRZSA-N -1 0 330.344 2.467 20 5 EEBDRM Cc1cc(N2CCC[C@H](N3CCCC3=O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889992 602318067 /nfs/dbraw/zinc/31/80/67/602318067.db2.gz CJODPRXKIDWOGG-LBPRGKRZSA-N -1 0 347.371 2.193 20 5 EEBDRM CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)C(=O)[O-] ZINC000165175307 604655101 /nfs/dbraw/zinc/65/51/01/604655101.db2.gz MPVUNBNKQFPPHE-UHFFFAOYSA-N -1 0 345.149 2.293 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000833100677 604906809 /nfs/dbraw/zinc/90/68/09/604906809.db2.gz KOMZWEXVXUGNBX-UHFFFAOYSA-N -1 0 330.300 2.129 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)NC2(CC(=O)[O-])CCCCC2)c1[N+](=O)[O-] ZINC000827097205 604930272 /nfs/dbraw/zinc/93/02/72/604930272.db2.gz HUSLQQZWSKRSNK-UHFFFAOYSA-N -1 0 338.364 2.349 20 5 EEBDRM C[C@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000833533026 605009525 /nfs/dbraw/zinc/00/95/25/605009525.db2.gz LGONROXWEIAMSA-QMMMGPOBSA-N -1 0 339.300 2.180 20 5 EEBDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833466838 605296692 /nfs/dbraw/zinc/29/66/92/605296692.db2.gz AZPVCOMHBRKQTN-GFCCVEGCSA-N -1 0 343.767 2.199 20 5 EEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1F ZINC000177805062 681529338 /nfs/dbraw/zinc/52/93/38/681529338.db2.gz KELOLRXYWJSCRZ-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM O=C([O-])C1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCSCC1 ZINC000262264474 684946080 /nfs/dbraw/zinc/94/60/80/684946080.db2.gz ZIXMPWDUIJQEIL-UHFFFAOYSA-N -1 0 349.368 2.156 20 5 EEBDRM CCN(CC(=O)[O-])C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000263285143 689622384 /nfs/dbraw/zinc/62/23/84/689622384.db2.gz UDGYSAVQYIPTIY-UHFFFAOYSA-N -1 0 332.765 2.273 20 5 EEBDRM O=C([O-])CCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000263414688 689814278 /nfs/dbraw/zinc/81/42/78/689814278.db2.gz VSAXKGUNIMSJKE-UHFFFAOYSA-N -1 0 349.265 2.278 20 5 EEBDRM O=[N+]([O-])c1ccc([C@@H](OCCS(=O)(=O)[O-])C(F)(F)F)cc1 ZINC001224571418 1188827735 /nfs/dbraw/zinc/82/77/35/1188827735.db2.gz LEHHZKKJLZWGPA-SECBINFHSA-N -1 0 329.252 2.103 20 5 EEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000879767750 1201249045 /nfs/dbraw/zinc/24/90/45/1201249045.db2.gz OLDNKMYOWUEZSN-CYBMUJFWSA-N -1 0 349.284 2.377 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC(F)(F)C1 ZINC000800383433 1234091711 /nfs/dbraw/zinc/09/17/11/1234091711.db2.gz YJLGIZMXGOGEQH-SECBINFHSA-N -1 0 348.327 2.225 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C1CCC2(CC2)CC1 ZINC000850836981 1277362223 /nfs/dbraw/zinc/36/22/23/1277362223.db2.gz FUEWERGBXXDWSB-UHFFFAOYSA-N -1 0 344.414 2.432 20 5 EEBDRM CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850885263 1277380307 /nfs/dbraw/zinc/38/03/07/1277380307.db2.gz BSIOJRYMHSZACN-VIFPVBQESA-N -1 0 344.364 2.365 20 5 EEBDRM O=C(O[C@@H]1CCN(C2CCCCC2)C1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000859597111 1294538755 /nfs/dbraw/zinc/53/87/55/1294538755.db2.gz DKXMDIREQXHLRS-OAHLLOKOSA-N -1 0 348.355 2.391 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(OC2CCC(C)(C)CC2)c1[N+](=O)[O-] ZINC001226652854 1301495892 /nfs/dbraw/zinc/49/58/92/1301495892.db2.gz OMULVJRYRNXHMN-UHFFFAOYSA-N -1 0 325.321 2.225 20 5 EEBDRM CCOC(=O)[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227097039 1301685526 /nfs/dbraw/zinc/68/55/26/1301685526.db2.gz WKFSJTSIHOXUIG-ZWNOBZJWSA-N -1 0 347.327 2.354 20 5 EEBDRM Cc1nnc(=S)[n-]c1O[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001227600492 1301903416 /nfs/dbraw/zinc/90/34/16/1301903416.db2.gz DHHLXOSDDOVYAG-JTQLQIEISA-N -1 0 333.373 2.035 20 5 EEBDRM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3ncc(Cl)cc3O)C2)nc1 ZINC001227983863 1302040760 /nfs/dbraw/zinc/04/07/60/1302040760.db2.gz VBAFZWJBJBKWLH-NSHDSACASA-N -1 0 336.735 2.402 20 5 EEBDRM COC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(F)(F)F ZINC001228676131 1302374407 /nfs/dbraw/zinc/37/44/07/1302374407.db2.gz WMCQIHKSKBCILN-SECBINFHSA-N -1 0 333.222 2.262 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(O[C@H]4CCOC[C@@H]4F)c3nc2cc1C ZINC001228683813 1302378414 /nfs/dbraw/zinc/37/84/14/1302378414.db2.gz DEXGNCVDKCRVEU-GWCFXTLKSA-N -1 0 344.346 2.401 20 5 EEBDRM CCOC(=O)[C@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001229376711 1302753309 /nfs/dbraw/zinc/75/33/09/1302753309.db2.gz XNJULJGFFUVVSG-GFCCVEGCSA-N -1 0 333.300 2.082 20 5 EEBDRM CCOC(=O)C[C@@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001231258608 1303707967 /nfs/dbraw/zinc/70/79/67/1303707967.db2.gz AUMJPBZJPYQAPL-MRVPVSSYSA-N -1 0 338.238 2.267 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000797023319 1304622698 /nfs/dbraw/zinc/62/26/98/1304622698.db2.gz JDWPNTYCIRIREX-LLVKDONJSA-N -1 0 342.417 2.328 20 5 EEBDRM O=C([O-])CCC(=O)CNc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001160876400 1320301298 /nfs/dbraw/zinc/30/12/98/1320301298.db2.gz JZFIYSDWKPADFH-UHFFFAOYSA-N -1 0 348.290 2.037 20 5 EEBDRM Cc1cnc([N-]C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)c(=O)[nH]1 ZINC001162713679 1320937272 /nfs/dbraw/zinc/93/72/72/1320937272.db2.gz NMLYDLDPFYMHAH-UHFFFAOYSA-N -1 0 331.666 2.196 20 5 EEBDRM O=C([O-])c1cc(C(=O)N(CC(F)(F)F)C2CC2)cc([N+](=O)[O-])c1 ZINC001602241869 1350474165 /nfs/dbraw/zinc/47/41/65/1350474165.db2.gz BVRDLXQTQUWMRV-UHFFFAOYSA-N -1 0 332.234 2.460 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)[C@@H]2Cc3cc(F)ccc3O2)cc1[N+](=O)[O-] ZINC001602389316 1350508532 /nfs/dbraw/zinc/50/85/32/1350508532.db2.gz VRRORBNCDWCEQF-AWEZNQCLSA-N -1 0 347.254 2.341 20 5 EEBDRM C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C(C)(C)C ZINC001604192159 1350889582 /nfs/dbraw/zinc/88/95/82/1350889582.db2.gz WCJFSHIOJVGAEV-SECBINFHSA-N -1 0 344.389 2.254 20 5 EEBDRM COc1cc(C(=O)OCC2(CC(=O)[O-])CC2)c([N+](=O)[O-])cc1OC ZINC001607145020 1351437547 /nfs/dbraw/zinc/43/75/47/1351437547.db2.gz ATIDCSGPFITXAB-UHFFFAOYSA-N -1 0 339.300 2.024 20 5 EEBDRM Cc1cc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])ccc1OCCO ZINC001607700357 1351541946 /nfs/dbraw/zinc/54/19/46/1351541946.db2.gz XIPSVXTYQADXFB-UHFFFAOYSA-N -1 0 333.300 2.111 20 5 EEBDRM O=C([O-])CCN1CCC[C@H](SCc2ccc([N+](=O)[O-])cc2)C1=O ZINC001608726192 1351750174 /nfs/dbraw/zinc/75/01/74/1351750174.db2.gz FQFBONSPWDPTNX-ZDUSSCGKSA-N -1 0 338.385 2.294 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@H](O)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC001608780542 1351761850 /nfs/dbraw/zinc/76/18/50/1351761850.db2.gz OSQHYKATMKAFCX-CYBMUJFWSA-N -1 0 348.330 2.377 20 5 EEBDRM O=C([O-])c1ccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001608879871 1351784890 /nfs/dbraw/zinc/78/48/90/1351784890.db2.gz AIBVQMXIJVIYAZ-UHFFFAOYSA-N -1 0 340.335 2.420 20 5 EEBDRM O=C([O-])c1ccc(F)cc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001608897932 1351789677 /nfs/dbraw/zinc/78/96/77/1351789677.db2.gz ZIAFOBQWIDXQDH-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc2c(c1)N(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001608924507 1351795885 /nfs/dbraw/zinc/79/58/85/1351795885.db2.gz IJTDDOUVFQAOKR-MRXNPFEDSA-N -1 0 328.324 2.389 20 5 EEBDRM O=C([O-])c1ccnc(NCCOc2ccc(Cl)cn2)c1[N+](=O)[O-] ZINC001608953775 1351802328 /nfs/dbraw/zinc/80/23/28/1351802328.db2.gz NQZBQJWCBNJJHW-UHFFFAOYSA-N -1 0 338.707 2.227 20 5 EEBDRM O=C([O-])c1cnc(COc2cc(F)c(Cl)cc2[N+](=O)[O-])cn1 ZINC001608973202 1351805647 /nfs/dbraw/zinc/80/56/47/1351805647.db2.gz HWNAMNJXSJXUCD-UHFFFAOYSA-N -1 0 327.655 2.455 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320538843 1332905564 /nfs/dbraw/zinc/90/55/64/1332905564.db2.gz WOEKZOSQZBFSII-UHFFFAOYSA-N -1 0 329.268 2.365 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001609673791 1352055824 /nfs/dbraw/zinc/05/58/24/1352055824.db2.gz FREMRGYNLKGCKG-UHFFFAOYSA-N -1 0 336.344 2.317 20 5 EEBDRM C[C@@H](C(=O)O[C@@H](C)C(=O)C(C)(C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001609789947 1352086008 /nfs/dbraw/zinc/08/60/08/1352086008.db2.gz MEYDFJVWUNIUPB-ZJUUUORDSA-N -1 0 337.328 2.310 20 5 EEBDRM COc1ccc(CNC(=O)Nc2cncc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001610334696 1352207330 /nfs/dbraw/zinc/20/73/30/1352207330.db2.gz GFWHFGBGXIQGIL-UHFFFAOYSA-N -1 0 346.299 2.018 20 5 EEBDRM Cc1ccc([C@H]2COCCN2c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])o1 ZINC001610437295 1352222202 /nfs/dbraw/zinc/22/22/02/1352222202.db2.gz PEZJCMWYALJJFM-GFCCVEGCSA-N -1 0 347.327 2.476 20 5 EEBDRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001610485696 1352230694 /nfs/dbraw/zinc/23/06/94/1352230694.db2.gz MXTIMGHIXFVXBL-UHFFFAOYSA-N -1 0 346.295 2.325 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1cccnc1[N+](=O)[O-] ZINC001610487770 1352230903 /nfs/dbraw/zinc/23/09/03/1352230903.db2.gz MMJYVZDUGZDOLG-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM Cc1c(NC(=O)NC[C@](C)(O)C(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600040856 1349960153 /nfs/dbraw/zinc/96/01/53/1349960153.db2.gz VEDHUKQQEUJNGY-HNNXBMFYSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1c(NC(=O)NC[C@H]2CC[C@@H](C)O2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043547 1349960933 /nfs/dbraw/zinc/96/09/33/1349960933.db2.gz UMCPJOXSZUZFLY-LDYMZIIASA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001600289969 1350011994 /nfs/dbraw/zinc/01/19/94/1350011994.db2.gz POFDGNSPKJKUNG-UHFFFAOYSA-N -1 0 345.311 2.201 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)OCc2cccc(C(=O)[O-])n2)c1F ZINC001600304179 1350015638 /nfs/dbraw/zinc/01/56/38/1350015638.db2.gz JYLYDLBUCTZBDI-UHFFFAOYSA-N -1 0 334.259 2.493 20 5 EEBDRM Cc1ccccc1[C@H](CO)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600570948 1350085722 /nfs/dbraw/zinc/08/57/22/1350085722.db2.gz TWTZIWGFSGMODN-HNNXBMFYSA-N -1 0 344.323 2.065 20 5 EEBDRM Cc1ccn([C@@H](C)CC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001600594759 1350092781 /nfs/dbraw/zinc/09/27/81/1350092781.db2.gz NDXYFVSKZVIWRT-JTQLQIEISA-N -1 0 333.300 2.355 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC001600748619 1350127285 /nfs/dbraw/zinc/12/72/85/1350127285.db2.gz XQHBVBYBTWYDHH-CQSZACIVSA-N -1 0 330.296 2.151 20 5 EEBDRM Cc1nn(C)c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1C(=O)[O-] ZINC001600773543 1350132932 /nfs/dbraw/zinc/13/29/32/1350132932.db2.gz DELYGWWNRVQPSZ-NWDGAFQWSA-N -1 0 344.327 2.077 20 5 EEBDRM Cc1sc(C(=O)O[C@@H](C)C(=O)C(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001600873949 1350157390 /nfs/dbraw/zinc/15/73/90/1350157390.db2.gz IYQHAJQBFKRYDY-LURJTMIESA-N -1 0 329.330 2.190 20 5 EEBDRM NC(=O)c1ccnc(SCc2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC001601170741 1350224388 /nfs/dbraw/zinc/22/43/88/1350224388.db2.gz CEKQSFZVHGBTFR-UHFFFAOYSA-N -1 0 333.325 2.079 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001601216499 1350233631 /nfs/dbraw/zinc/23/36/31/1350233631.db2.gz DACFYSCKEJIUIX-GFCCVEGCSA-N -1 0 327.296 2.006 20 5 EEBDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001601240557 1350239476 /nfs/dbraw/zinc/23/94/76/1350239476.db2.gz OEGVOEGMPLYXCM-ANRDLHARSA-N -1 0 330.340 2.224 20 5 EEBDRM O=C([O-])c1c(Cl)c(NCC(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC001601328669 1350258821 /nfs/dbraw/zinc/25/88/21/1350258821.db2.gz AKXASUJDEUNVNU-UHFFFAOYSA-N -1 0 341.751 2.417 20 5 EEBDRM O=C([O-])c1ccccc1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001601361217 1350266395 /nfs/dbraw/zinc/26/63/95/1350266395.db2.gz IGNBDGKRVKPCAT-UHFFFAOYSA-N -1 0 346.314 2.334 20 5 EEBDRM O=C([O-])[C@@H](CCF)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001601413449 1350279324 /nfs/dbraw/zinc/27/93/24/1350279324.db2.gz OOEGHKVWHKPWCX-SECBINFHSA-N -1 0 338.213 2.156 20 5 EEBDRM O=C([O-])c1cnc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC001601549794 1350306414 /nfs/dbraw/zinc/30/64/14/1350306414.db2.gz BDLPYONJQBWALF-UHFFFAOYSA-N -1 0 341.732 2.333 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC001601649044 1350328195 /nfs/dbraw/zinc/32/81/95/1350328195.db2.gz GPUHPSAXAJYHSN-NWANDNLSSA-N -1 0 332.356 2.315 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCCC2=CCCC2)c([N+](=O)[O-])c1 ZINC001602074647 1350431303 /nfs/dbraw/zinc/43/13/03/1350431303.db2.gz FNZRBMPAZIMXTH-UHFFFAOYSA-N -1 0 333.344 2.322 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@H](O)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001602126699 1350445559 /nfs/dbraw/zinc/44/55/59/1350445559.db2.gz MHMHVEHTGHXTKB-CQSZACIVSA-N -1 0 348.330 2.377 20 5 EEBDRM O=C([O-])c1ccc(F)c2c1CN(C(=O)c1ccc([N+](=O)[O-])cn1)CC2 ZINC001602366571 1350505009 /nfs/dbraw/zinc/50/50/09/1350505009.db2.gz FBHUMROVDSTLMW-UHFFFAOYSA-N -1 0 345.286 2.026 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Cn2cnc(C3CCC3)cc2=O)c1 ZINC001602403933 1350511559 /nfs/dbraw/zinc/51/15/59/1350511559.db2.gz WAAIMUZCORUNGX-UHFFFAOYSA-N -1 0 329.312 2.166 20 5 EEBDRM O=C([O-])c1cncc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001602535494 1350540709 /nfs/dbraw/zinc/54/07/09/1350540709.db2.gz IEDIMAZVSTZZCT-UHFFFAOYSA-N -1 0 343.339 2.441 20 5 EEBDRM O=C([O-])c1nccc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001602576003 1350549911 /nfs/dbraw/zinc/54/99/11/1350549911.db2.gz KZOLIOWNPHHKSY-UHFFFAOYSA-N -1 0 342.233 2.136 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC001602598725 1350553958 /nfs/dbraw/zinc/55/39/58/1350553958.db2.gz QXSMJBPQWKCLMQ-JTQLQIEISA-N -1 0 331.227 2.216 20 5 EEBDRM O=C([O-])[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)CC1CC1 ZINC001602647753 1350565504 /nfs/dbraw/zinc/56/55/04/1350565504.db2.gz OVWSRLJBCMUZFF-LLVKDONJSA-N -1 0 333.344 2.392 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001603933993 1350804970 /nfs/dbraw/zinc/80/49/70/1350804970.db2.gz ASOVYEGDCOIRSP-GFCCVEGCSA-N -1 0 336.344 2.461 20 5 EEBDRM C[C@@H](c1ccccc1)[C@H](O)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604467461 1350943719 /nfs/dbraw/zinc/94/37/19/1350943719.db2.gz DLMNGBWXPYDARD-GXFFZTMASA-N -1 0 331.328 2.265 20 5 EEBDRM C[C@H]1SCCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)[C@H]1C ZINC001604841173 1351018497 /nfs/dbraw/zinc/01/84/97/1351018497.db2.gz DSHDCEXRDAUNLV-WDEREUQCSA-N -1 0 340.401 2.384 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC001604986701 1351046379 /nfs/dbraw/zinc/04/63/79/1351046379.db2.gz ZVASMOJKAYVPDH-UHFFFAOYSA-N -1 0 341.291 2.351 20 5 EEBDRM CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(C)(C)C(=O)[O-] ZINC001605396633 1351153289 /nfs/dbraw/zinc/15/32/89/1351153289.db2.gz PLMGEALUZXZNDX-UHFFFAOYSA-N -1 0 333.344 2.261 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)n1 ZINC001605925525 1351255060 /nfs/dbraw/zinc/25/50/60/1351255060.db2.gz GVFCDJJCDRPPCY-GFCCVEGCSA-N -1 0 346.343 2.065 20 5 EEBDRM CN(CCC(C)(C)C)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001606111395 1351272788 /nfs/dbraw/zinc/27/27/88/1351272788.db2.gz XPMQHZQFQMBOEL-UHFFFAOYSA-N -1 0 337.376 2.282 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001606139838 1351278035 /nfs/dbraw/zinc/27/80/35/1351278035.db2.gz QLZFOGMHSIFMDY-KGLIPLIRSA-N -1 0 349.387 2.422 20 5 EEBDRM COCc1cc([N+](=O)[O-])ccc1N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001606952058 1351383045 /nfs/dbraw/zinc/38/30/45/1351383045.db2.gz FFPSHAPJYLZWBK-UHFFFAOYSA-N -1 0 343.339 2.397 20 5 EEBDRM COCc1cc(NC2CC(n3cc([N+](=O)[O-])cn3)C2)cc(C(=O)[O-])c1 ZINC001606952179 1351383084 /nfs/dbraw/zinc/38/30/84/1351383084.db2.gz WHEHOADGUVIDNQ-UHFFFAOYSA-N -1 0 346.343 2.452 20 5 EEBDRM COCc1ccnc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001606968750 1351387907 /nfs/dbraw/zinc/38/79/07/1351387907.db2.gz NCSDJOCAYCZLQR-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM CON(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@@H](C)CC(=O)[O-] ZINC001606988930 1351393519 /nfs/dbraw/zinc/39/35/19/1351393519.db2.gz YBGNCZNJPMZVQE-QMMMGPOBSA-N -1 0 328.346 2.184 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCCCCC(=O)[O-] ZINC001607377927 1351484087 /nfs/dbraw/zinc/48/40/87/1351484087.db2.gz VBXBUPWEMDVBSO-UHFFFAOYSA-N -1 0 344.389 2.445 20 5 EEBDRM Cc1cc(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)c(N)c([N+](=O)[O-])c1 ZINC001607581543 1351519158 /nfs/dbraw/zinc/51/91/58/1351519158.db2.gz GOQWYGLKMZAAFN-UHFFFAOYSA-N -1 0 344.327 2.448 20 5 EEBDRM Cc1cc(C2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])CC2)n[nH]1 ZINC001607635071 1351530044 /nfs/dbraw/zinc/53/00/44/1351530044.db2.gz OFFADVTVFHNEME-UHFFFAOYSA-N -1 0 331.332 2.104 20 5 EEBDRM Cc1cc(CCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)no1 ZINC001607637606 1351530810 /nfs/dbraw/zinc/53/08/10/1351530810.db2.gz JWZRCGRPATWFSU-UHFFFAOYSA-N -1 0 333.300 2.469 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001607655936 1351534396 /nfs/dbraw/zinc/53/43/96/1351534396.db2.gz MESZNCGVIXAUER-WPRPVWTQSA-N -1 0 330.699 2.194 20 5 EEBDRM Cc1cc(F)cc(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c1[N+](=O)[O-] ZINC001607663249 1351535315 /nfs/dbraw/zinc/53/53/15/1351535315.db2.gz OLBSJATVCGLXGU-PFWNZEGQSA-N -1 0 336.319 2.271 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@](C)(CC(=O)[O-])c1cccnc1 ZINC001607826640 1351566542 /nfs/dbraw/zinc/56/65/42/1351566542.db2.gz VHWUUSZFAAUJQR-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM Cn1c2ccccc2c(N[C@@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])c1=O ZINC001608076463 1351620345 /nfs/dbraw/zinc/62/03/45/1351620345.db2.gz WBLGJDDSDMDMOF-NSHDSACASA-N -1 0 331.328 2.112 20 5 EEBDRM Nc1c(C(=O)O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001608267056 1351659443 /nfs/dbraw/zinc/65/94/43/1351659443.db2.gz AKYNCMOJGVQDRF-ZDUSSCGKSA-N -1 0 348.286 2.169 20 5 EEBDRM COc1ccc2c(=O)[nH]n(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2c1 ZINC000819967485 785723655 /nfs/dbraw/zinc/72/36/55/785723655.db2.gz HHXNOMRGVRBYHN-UHFFFAOYSA-N -1 0 329.268 2.053 20 5 EEBDRM Cc1ccn2cnnc2c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000820799903 786479359 /nfs/dbraw/zinc/47/93/59/786479359.db2.gz MURHIAQNSAFQTK-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM O=C(NC[C@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000028075108 786496475 /nfs/dbraw/zinc/49/64/75/786496475.db2.gz GBKCLDXJDAURID-NSHDSACASA-N -1 0 328.324 2.282 20 5 EEBDRM Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000821090011 786595987 /nfs/dbraw/zinc/59/59/87/786595987.db2.gz PKJXLVUOFAPZJP-UHFFFAOYSA-N -1 0 349.271 2.293 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@](C)(O)c2ccc(F)cc2)n1 ZINC000844209739 788928468 /nfs/dbraw/zinc/92/84/68/788928468.db2.gz MRXGEGNYOWSUDG-INIZCTEOSA-N -1 0 349.318 2.455 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000151457296 788973805 /nfs/dbraw/zinc/97/38/05/788973805.db2.gz XMIVGBKDKOBUMA-UHFFFAOYSA-N -1 0 348.380 2.206 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 ZINC001175905704 798284009 /nfs/dbraw/zinc/28/40/09/798284009.db2.gz UQLGHJRLXSSDJE-MDZDMXLPSA-N -1 0 341.323 2.492 20 5 EEBDRM CS(=O)(=O)c1ccccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176677296 798524867 /nfs/dbraw/zinc/52/48/67/798524867.db2.gz QVZWDFVJOKGLAL-UHFFFAOYSA-N -1 0 336.325 2.440 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000809062681 812951847 /nfs/dbraw/zinc/95/18/47/812951847.db2.gz VIUQOXSCQUUZSK-UHFFFAOYSA-N -1 0 348.380 2.092 20 5 EEBDRM O=C([O-])Cn1cc(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC001595148829 952131222 /nfs/dbraw/zinc/13/12/22/952131222.db2.gz ZZEKWWMJHABJPO-UHFFFAOYSA-N -1 0 331.210 2.033 20 5 EEBDRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)O2 ZINC001594747847 953397929 /nfs/dbraw/zinc/39/79/29/953397929.db2.gz DYTBSWSTGCTMMF-QCIACWGRSA-N -1 0 349.343 2.129 20 5 EEBDRM O=C([O-])[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001594795448 953714649 /nfs/dbraw/zinc/71/46/49/953714649.db2.gz TZJQDWYPXZPGDD-HAQNSBGRSA-N -1 0 333.344 2.132 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001589303996 953719874 /nfs/dbraw/zinc/71/98/74/953719874.db2.gz KQJVZHNYCBVXNK-BDAKNGLRSA-N -1 0 325.296 2.451 20 5 EEBDRM C[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C(=O)[O-] ZINC001589325135 953896605 /nfs/dbraw/zinc/89/66/05/953896605.db2.gz IIZWQZNBRPRVKR-QFYYESIMSA-N -1 0 345.355 2.330 20 5 EEBDRM O=C([O-])c1ccsc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001594822546 953913954 /nfs/dbraw/zinc/91/39/54/953913954.db2.gz YWXJUUJFZSUWJU-UHFFFAOYSA-N -1 0 336.281 2.336 20 5 EEBDRM C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC001589344022 954036087 /nfs/dbraw/zinc/03/60/87/954036087.db2.gz KFLDOUQZCJZWIP-BSLXNSKLSA-N -1 0 332.356 2.268 20 5 EEBDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)[C@@H]3CC3[N+](=O)[O-])sc2[C@H](C)O1 ZINC001589412493 954528805 /nfs/dbraw/zinc/52/88/05/954528805.db2.gz ZBYVMDDSCBYFFE-JVZYCSMKSA-N -1 0 340.357 2.072 20 5 EEBDRM Nc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001594665858 956574102 /nfs/dbraw/zinc/57/41/02/956574102.db2.gz SEDGKWBEGAMCBL-JTQLQIEISA-N -1 0 336.348 2.286 20 5 EEBDRM C[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001603174314 972271918 /nfs/dbraw/zinc/27/19/18/972271918.db2.gz HXCNTARNAPCCAF-SCRDCRAPSA-N -1 0 349.387 2.451 20 5 EEBDRM O=C([O-])c1ccc(/C=C\C(=O)N2CCc3c2cccc3[N+](=O)[O-])o1 ZINC001574799312 957829792 /nfs/dbraw/zinc/82/97/92/957829792.db2.gz GKFHJLXALDDCKE-ALCCZGGFSA-N -1 0 328.280 2.489 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1F ZINC001594329878 958208804 /nfs/dbraw/zinc/20/88/04/958208804.db2.gz SBIYSPPQWIVTQB-SECBINFHSA-N -1 0 342.298 2.412 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1C ZINC001594377686 958607219 /nfs/dbraw/zinc/60/72/19/958607219.db2.gz JHIHUJVDBSBJPK-QWHCGFSZSA-N -1 0 332.356 2.394 20 5 EEBDRM C[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC001588554033 959044191 /nfs/dbraw/zinc/04/41/91/959044191.db2.gz LDQFSXDFOITQLD-TVQRCGJNSA-N -1 0 338.335 2.455 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001116489556 969661212 /nfs/dbraw/zinc/66/12/12/969661212.db2.gz IYTIAXUQXGWVIQ-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[C@H]1C(=O)[O-] ZINC001603470397 973336226 /nfs/dbraw/zinc/33/62/26/973336226.db2.gz HSLKPJSHCDGHTN-ZWNOBZJWSA-N -1 0 347.371 2.034 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@](C)(CCF)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591751696 975807692 /nfs/dbraw/zinc/80/76/92/975807692.db2.gz ZHSPESXIOCORHI-OAHLLOKOSA-N -1 0 342.323 2.315 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001592290673 977615564 /nfs/dbraw/zinc/61/55/64/977615564.db2.gz QPTWZGMRDNRBEU-QGZVFWFLSA-N -1 0 343.339 2.039 20 5 EEBDRM C[C@H](CNC(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592665459 979070003 /nfs/dbraw/zinc/07/00/03/979070003.db2.gz MDPXFHMQNAWPFN-VOMCLLRMSA-N -1 0 335.360 2.251 20 5 EEBDRM C[C@H](Cc1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592884005 979764781 /nfs/dbraw/zinc/76/47/81/979764781.db2.gz XTSHQMZVTIUZGY-SECBINFHSA-N -1 0 344.327 2.096 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ocnc1C(=O)[O-] ZINC001595211888 979995896 /nfs/dbraw/zinc/99/58/96/979995896.db2.gz KKKURBKQSFZEFY-NSHDSACASA-N -1 0 347.327 2.166 20 5 EEBDRM CCC[C@@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001595573295 981487307 /nfs/dbraw/zinc/48/73/07/981487307.db2.gz JOEWLLUCJJOLJJ-SNVBAGLBSA-N -1 0 344.389 2.398 20 5 EEBDRM C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001599913744 985024679 /nfs/dbraw/zinc/02/46/79/985024679.db2.gz IBUBIECXKLJABZ-CJYSPXJISA-N -1 0 332.356 2.268 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)n1 ZINC001597899389 989769862 /nfs/dbraw/zinc/76/98/62/989769862.db2.gz JOPPAQBWXXPUNQ-JTQLQIEISA-N -1 0 344.327 2.030 20 5 EEBDRM CC(C)CN(CC(=O)[O-])Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001591303484 992252240 /nfs/dbraw/zinc/25/22/40/992252240.db2.gz ZZXOGCFOKWWMPF-UHFFFAOYSA-N -1 0 334.332 2.187 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001599622444 994102853 /nfs/dbraw/zinc/10/28/53/994102853.db2.gz NGIUIDBFXKQXIX-MRXNPFEDSA-N -1 0 344.323 2.456 20 5 EEBDRM COC(=O)Cc1cccc(Oc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001598872591 996743905 /nfs/dbraw/zinc/74/39/05/996743905.db2.gz BJJKOARIXUYPGS-UHFFFAOYSA-N -1 0 332.268 2.196 20 5 EEBDRM COc1cc(CN(C)c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])ccc1O ZINC001599404807 997277720 /nfs/dbraw/zinc/27/77/20/997277720.db2.gz AKPCNWVBKDBYTJ-UHFFFAOYSA-N -1 0 347.327 2.347 20 5 EEBDRM COc1c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC001599328219 997702253 /nfs/dbraw/zinc/70/22/53/997702253.db2.gz FVLMOCGUZFLMPF-GVXVVHGQSA-N -1 0 348.355 2.319 20 5 EEBDRM CC1=C(C(=O)[O-])[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1CC1CC1 ZINC001594098331 998081717 /nfs/dbraw/zinc/08/17/17/998081717.db2.gz SGYMXHBFSWCSDY-AWEZNQCLSA-N -1 0 331.328 2.430 20 5 EEBDRM COC(=O)c1ccnc(NCCCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC001599005350 998850426 /nfs/dbraw/zinc/85/04/26/998850426.db2.gz ZLGJOZUWVZJVHU-UHFFFAOYSA-N -1 0 325.321 2.223 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001608575589 1124103564 /nfs/dbraw/zinc/10/35/64/1124103564.db2.gz LLEKFFZPHQATME-LBPRGKRZSA-N -1 0 347.140 2.356 20 5 EEBDRM CCC(CC)(CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(=O)[O-] ZINC000336872270 282122626 /nfs/dbraw/zinc/12/26/26/282122626.db2.gz PAKMHORYDMNBDE-UHFFFAOYSA-N -1 0 344.389 2.301 20 5 EEBDRM O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261766671 304087031 /nfs/dbraw/zinc/08/70/31/304087031.db2.gz VNIIMSPLSLPPFZ-VIFPVBQESA-N -1 0 344.776 2.281 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000238079029 304113625 /nfs/dbraw/zinc/11/36/25/304113625.db2.gz FPZZTQDAHCYKTN-JTQLQIEISA-N -1 0 343.133 2.047 20 5 EEBDRM Cc1noc(C)c1C[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000192969569 239958533 /nfs/dbraw/zinc/95/85/33/239958533.db2.gz DWYITNSSNUIYLG-MRVPVSSYSA-N -1 0 347.327 2.259 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(CC(C)C)o2)cc1[N+](=O)[O-] ZINC000194860760 240745080 /nfs/dbraw/zinc/74/50/80/240745080.db2.gz PZTGPSDXDRUKRN-UHFFFAOYSA-N -1 0 340.361 2.286 20 5 EEBDRM CC(C)C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000424243314 240877871 /nfs/dbraw/zinc/87/78/71/240877871.db2.gz IFUXZXCSAFKXQO-LBPRGKRZSA-N -1 0 338.360 2.227 20 5 EEBDRM O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000456335328 244217306 /nfs/dbraw/zinc/21/73/06/244217306.db2.gz VYRNHCVXQFPPAP-BLLLJJGKSA-N -1 0 343.339 2.346 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000262934043 245258872 /nfs/dbraw/zinc/25/88/72/245258872.db2.gz HEAQKHHUUXVDSA-MEBBXXQBSA-N -1 0 347.371 2.494 20 5 EEBDRM COC(=O)NCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000494676813 247003309 /nfs/dbraw/zinc/00/33/09/247003309.db2.gz MCARQIJLRUGKID-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM COC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000354297611 522626628 /nfs/dbraw/zinc/62/66/28/522626628.db2.gz UEYZPJDYRUQJCY-LURJTMIESA-N -1 0 343.188 2.215 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCO[C@@H](Cc2ccccc2)C1 ZINC000118974101 221214730 /nfs/dbraw/zinc/21/47/30/221214730.db2.gz ZSFAFRCJRWDKTQ-HNNXBMFYSA-N -1 0 342.351 2.384 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000271061146 256203808 /nfs/dbraw/zinc/20/38/08/256203808.db2.gz KLRPZPLVYWYSEX-SNVBAGLBSA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1nn(CCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC000273261770 256281564 /nfs/dbraw/zinc/28/15/64/256281564.db2.gz FZUVLONWUKWZIO-UHFFFAOYSA-N -1 0 349.303 2.051 20 5 EEBDRM O=C(CCOC1CCOCC1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000273641131 256314324 /nfs/dbraw/zinc/31/43/24/256314324.db2.gz ULRSOJDTYJZMFZ-UHFFFAOYSA-N -1 0 344.751 2.478 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262875500 152332667 /nfs/dbraw/zinc/33/26/67/152332667.db2.gz BIKLZBZXEDCJGZ-WCQYABFASA-N -1 0 347.371 2.130 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262343872 160451462 /nfs/dbraw/zinc/45/14/62/160451462.db2.gz GMSDIPRIGHODQU-GDLCADMTSA-N -1 0 333.344 2.156 20 5 EEBDRM COc1cc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000263546530 160470941 /nfs/dbraw/zinc/47/09/41/160470941.db2.gz HIMBPYFNIDZGNG-RKDXNWHRSA-N -1 0 334.250 2.303 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000342473679 161068104 /nfs/dbraw/zinc/06/81/04/161068104.db2.gz MSIQBZUDFCFGDR-UHFFFAOYSA-N -1 0 340.295 2.499 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000345776175 161331427 /nfs/dbraw/zinc/33/14/27/161331427.db2.gz LPKOYKROUJRLOB-UHFFFAOYSA-N -1 0 329.312 2.273 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cnn(Cc3ccccc3)c2)[nH]1 ZINC000352012330 162027037 /nfs/dbraw/zinc/02/70/37/162027037.db2.gz ATDSMFDGEQPQHJ-SREVYHEPSA-N -1 0 339.311 2.211 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(Cc2ccncc2)CC1 ZINC000355319191 163143316 /nfs/dbraw/zinc/14/33/16/163143316.db2.gz SENWNLLCEWLZQN-UHFFFAOYSA-N -1 0 328.372 2.013 20 5 EEBDRM COc1cccc2c1OC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000368314919 166087021 /nfs/dbraw/zinc/08/70/21/166087021.db2.gz GJCPDPKGRHCNNK-GFCCVEGCSA-N -1 0 344.323 2.043 20 5 EEBDRM Cn1nccc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000374883370 167060057 /nfs/dbraw/zinc/06/00/57/167060057.db2.gz WGTLJMHVEVSEKK-LBPRGKRZSA-N -1 0 330.344 2.054 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)C[C@@H](C)C(=O)[O-] ZINC000275027361 269086397 /nfs/dbraw/zinc/08/63/97/269086397.db2.gz BZVSCHFQQJKJPR-SNVBAGLBSA-N -1 0 344.389 2.071 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)[C@@H](C)CC(=O)[O-] ZINC000275250478 269104403 /nfs/dbraw/zinc/10/44/03/269104403.db2.gz HTZRFTSWXGFPBD-JTQLQIEISA-N -1 0 344.389 2.031 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000282253364 269475704 /nfs/dbraw/zinc/47/57/04/269475704.db2.gz VWKSFNWTMCDORK-ARFHVFGLSA-N -1 0 334.372 2.456 20 5 EEBDRM CCc1cccc(NC(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000181945397 274009792 /nfs/dbraw/zinc/00/97/92/274009792.db2.gz ZJQVOPGSOLXOKF-UHFFFAOYSA-N -1 0 343.339 2.231 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(O)(c2ccccc2)CC1 ZINC000274533718 274204455 /nfs/dbraw/zinc/20/44/55/274204455.db2.gz ZVGOELUEHSXLBN-UHFFFAOYSA-N -1 0 342.351 2.424 20 5 EEBDRM O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000290924582 275252948 /nfs/dbraw/zinc/25/29/48/275252948.db2.gz MVKMLELNRQGUFW-KDOFPFPSSA-N -1 0 342.351 2.196 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000292710010 275468420 /nfs/dbraw/zinc/46/84/20/275468420.db2.gz YCDIMCYKGZFEJJ-ZFWWWQNUSA-N -1 0 332.356 2.474 20 5 EEBDRM Cc1cccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000254925711 292683516 /nfs/dbraw/zinc/68/35/16/292683516.db2.gz CLXUPKBZFFBNER-YFHOEESVSA-N -1 0 346.364 2.422 20 5 EEBDRM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1(C)C ZINC000262836292 294030980 /nfs/dbraw/zinc/03/09/80/294030980.db2.gz QUMKOULMCCRFKI-OXHMUOHRSA-N -1 0 336.344 2.082 20 5 EEBDRM COc1cc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000262876265 294943766 /nfs/dbraw/zinc/94/37/66/294943766.db2.gz XCROWJSASSGKAW-MEDUHNTESA-N -1 0 336.344 2.367 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000263144234 297216380 /nfs/dbraw/zinc/21/63/80/297216380.db2.gz GYTFBNVRGBWWTG-HTQZYQBOSA-N -1 0 344.165 2.299 20 5 EEBDRM Cc1cccc2c1OC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000366279791 302062461 /nfs/dbraw/zinc/06/24/61/302062461.db2.gz ASOHSDKLBSUYQC-ZDUSSCGKSA-N -1 0 328.324 2.342 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000414616399 313049712 /nfs/dbraw/zinc/04/97/12/313049712.db2.gz HXNZTVJOOAKQRJ-UHFFFAOYSA-N -1 0 347.371 2.306 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)o1 ZINC000431525257 314639430 /nfs/dbraw/zinc/63/94/30/314639430.db2.gz OXZBTOYJZWAIPY-UHFFFAOYSA-N -1 0 341.279 2.364 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c([N+](=O)[O-])n1 ZINC000435730138 314920869 /nfs/dbraw/zinc/92/08/69/314920869.db2.gz XFFIGTVHMLVFTD-UHFFFAOYSA-N -1 0 348.743 2.405 20 5 EEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000436624760 314981522 /nfs/dbraw/zinc/98/15/22/314981522.db2.gz AEXDBNOSFQSKJO-VIFPVBQESA-N -1 0 344.327 2.282 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccsc1 ZINC000436824590 315002582 /nfs/dbraw/zinc/00/25/82/315002582.db2.gz HRMXLQDOGHXLAH-GFCCVEGCSA-N -1 0 336.325 2.006 20 5 EEBDRM COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1O ZINC000436884631 315009299 /nfs/dbraw/zinc/00/92/99/315009299.db2.gz LCKDWUUFUKKERT-UHFFFAOYSA-N -1 0 332.312 2.287 20 5 EEBDRM O=C(NCc1ccc(OCC2CC2)nc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436924391 315013465 /nfs/dbraw/zinc/01/34/65/315013465.db2.gz GQYGXYSPGFSBJA-UHFFFAOYSA-N -1 0 343.339 2.414 20 5 EEBDRM CCc1ccc([C@H](CO)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436958541 315016880 /nfs/dbraw/zinc/01/68/80/315016880.db2.gz IHRFYKALGZKRDZ-HNNXBMFYSA-N -1 0 330.340 2.326 20 5 EEBDRM COc1ccc([C@H](CCO)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436963501 315017633 /nfs/dbraw/zinc/01/76/33/315017633.db2.gz ZOADGFJASIQBHD-HNNXBMFYSA-N -1 0 346.339 2.163 20 5 EEBDRM COc1cccc(COCCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436974343 315018920 /nfs/dbraw/zinc/01/89/20/315018920.db2.gz XZTREYVHBLSCQW-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c(C(F)(F)F)n1 ZINC000436987313 315020217 /nfs/dbraw/zinc/02/02/17/315020217.db2.gz ITSPJNSKBLWCMA-UHFFFAOYSA-N -1 0 330.222 2.305 20 5 EEBDRM COCC[C@H](Cc1ccco1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436988361 315020273 /nfs/dbraw/zinc/02/02/73/315020273.db2.gz LZXIEDYZRVWBSN-GFCCVEGCSA-N -1 0 334.328 2.271 20 5 EEBDRM Cn1cccc1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000439225611 315070151 /nfs/dbraw/zinc/07/01/51/315070151.db2.gz OKXSRUXOWUBGJM-UHFFFAOYSA-N -1 0 329.765 2.065 20 5 EEBDRM CN1C[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])Cc2ccccc21 ZINC000444546984 315306910 /nfs/dbraw/zinc/30/69/10/315306910.db2.gz MQSQMSYKGPZYPN-LBPRGKRZSA-N -1 0 341.367 2.339 20 5 EEBDRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000493204879 315908983 /nfs/dbraw/zinc/90/89/83/315908983.db2.gz JQGWDDKJEUTTDA-IPYAHZMVSA-N -1 0 336.319 2.459 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000515386219 316488539 /nfs/dbraw/zinc/48/85/39/316488539.db2.gz JHALTQLXSHPCKO-QGZVFWFLSA-N -1 0 345.355 2.461 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@H]2CCC[C@H]21 ZINC000516295422 316551379 /nfs/dbraw/zinc/55/13/79/316551379.db2.gz QAOYGZLBVLGLAW-PWSUYJOCSA-N -1 0 326.736 2.347 20 5 EEBDRM O=C(NCCc1ccc2n[nH]cc2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000521415554 316912275 /nfs/dbraw/zinc/91/22/75/316912275.db2.gz KNEOXHFLLFYPFG-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM COc1cc(/C=C/c2cc(C(=O)[O-])ncn2)c([N+](=O)[O-])cc1OC ZINC000535593646 317973393 /nfs/dbraw/zinc/97/33/93/317973393.db2.gz XOEIUZXUXWZHHA-ONEGZZNKSA-N -1 0 331.284 2.271 20 5 EEBDRM Cc1nc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc2ccccc12 ZINC000544490922 318188470 /nfs/dbraw/zinc/18/84/70/318188470.db2.gz GZMIXMSGOVAIMF-UHFFFAOYSA-N -1 0 338.323 2.482 20 5 EEBDRM CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000545558659 318222651 /nfs/dbraw/zinc/22/26/51/318222651.db2.gz VVJUZXKCJRZTGD-ONGXEEELSA-N -1 0 342.373 2.102 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000548240573 318367520 /nfs/dbraw/zinc/36/75/20/318367520.db2.gz DVGNAXDVSBIVJO-SECBINFHSA-N -1 0 330.362 2.471 20 5 EEBDRM C[C@H]1CCC[C@@]1(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563194561 318982287 /nfs/dbraw/zinc/98/22/87/318982287.db2.gz MWZPJGBJZMWZNE-RMLUDKJBSA-N -1 0 328.752 2.235 20 5 EEBDRM Cn1cc(C[C@@H]2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)cn1 ZINC000563207652 318984125 /nfs/dbraw/zinc/98/41/25/318984125.db2.gz WNYKWWISWXSYDV-NSHDSACASA-N -1 0 330.344 2.096 20 5 EEBDRM Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2(C)C)cn1 ZINC000563399069 319006899 /nfs/dbraw/zinc/00/68/99/319006899.db2.gz RNWQQTNAINJFPF-ZDUSSCGKSA-N -1 0 344.371 2.300 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](CO)Cc2ccc(F)cc2)n1 ZINC000563622340 319031792 /nfs/dbraw/zinc/03/17/92/319031792.db2.gz DCCHPAYZJUQWOP-LLVKDONJSA-N -1 0 349.318 2.090 20 5 EEBDRM COC(=O)CCC(C)(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565012245 319138191 /nfs/dbraw/zinc/13/81/91/319138191.db2.gz NKFUYRDLSCFBKY-UHFFFAOYSA-N -1 0 344.751 2.415 20 5 EEBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000565281941 319168049 /nfs/dbraw/zinc/16/80/49/319168049.db2.gz DGEMTPIVFMUOTP-HZMBPMFUSA-N -1 0 329.312 2.182 20 5 EEBDRM CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000566178806 319256876 /nfs/dbraw/zinc/25/68/76/319256876.db2.gz AFMHFNGHNYTMKP-JTQLQIEISA-N -1 0 342.373 2.246 20 5 EEBDRM O=C([O-])c1cc(N2CCN(Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000569851371 319614326 /nfs/dbraw/zinc/61/43/26/319614326.db2.gz KMRFTRQGCWZGAA-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000570969796 319714780 /nfs/dbraw/zinc/71/47/80/319714780.db2.gz KOLMANAATNGOTI-KOLCDFICSA-N -1 0 342.373 2.061 20 5 EEBDRM C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@H]1C ZINC000574036478 319989374 /nfs/dbraw/zinc/98/93/74/319989374.db2.gz RZMCJCQGUNLJLB-ZJUUUORDSA-N -1 0 342.373 2.102 20 5 EEBDRM Cn1cc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2(C)C)cn1 ZINC000575933083 320126678 /nfs/dbraw/zinc/12/66/78/320126678.db2.gz BRLULVCSOZUKTG-ZDUSSCGKSA-N -1 0 344.371 2.300 20 5 EEBDRM CSC1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCOCC1 ZINC000580775602 324126704 /nfs/dbraw/zinc/12/67/04/324126704.db2.gz CAOPHJRPLYDAOW-UHFFFAOYSA-N -1 0 327.362 2.012 20 5 EEBDRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000582856250 324544377 /nfs/dbraw/zinc/54/43/77/324544377.db2.gz FZLJZAQNUHYMQO-MGCOHNPYSA-N -1 0 347.352 2.311 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](O)Cc2cccc(F)c2)n1 ZINC000514605816 448171296 /nfs/dbraw/zinc/17/12/96/448171296.db2.gz QTLZSNNDYDVQLA-GFCCVEGCSA-N -1 0 349.318 2.151 20 5 EEBDRM CO[C@H]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578893128 468275499 /nfs/dbraw/zinc/27/54/99/468275499.db2.gz AUXJBCHHWCCAFE-PELKAZGASA-N -1 0 328.752 2.499 20 5 EEBDRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000066250031 462867791 /nfs/dbraw/zinc/86/77/91/462867791.db2.gz PUYHHLRPHGJPHE-UHFFFAOYSA-N -1 0 342.352 2.387 20 5 EEBDRM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092704177 462974702 /nfs/dbraw/zinc/97/47/02/462974702.db2.gz TYXGJYGHVDWUHT-GFCCVEGCSA-N -1 0 337.376 2.399 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)CC1CC1 ZINC000579363589 468349735 /nfs/dbraw/zinc/34/97/35/468349735.db2.gz YRJOTMHBWUUSNS-GFCCVEGCSA-N -1 0 347.371 2.400 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000030953424 463318656 /nfs/dbraw/zinc/31/86/56/463318656.db2.gz QQWWSDVRARSCIW-UHFFFAOYSA-N -1 0 328.375 2.118 20 5 EEBDRM CC(C)c1nnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000040945610 463465635 /nfs/dbraw/zinc/46/56/35/463465635.db2.gz PRQSNGIYGKSIEA-UHFFFAOYSA-N -1 0 328.375 2.371 20 5 EEBDRM O=C(NCCOc1ccc(F)c(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164555390 463627073 /nfs/dbraw/zinc/62/70/73/463627073.db2.gz UQVLICSYMQMQON-UHFFFAOYSA-N -1 0 338.266 2.387 20 5 EEBDRM Cc1cccc2nc(CNC(=O)c3ccc([N+](=O)[O-])cc3[O-])n(C)c21 ZINC000184876799 463711342 /nfs/dbraw/zinc/71/13/42/463711342.db2.gz FLQRZNNPGMODMS-UHFFFAOYSA-N -1 0 340.339 2.426 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](O)Cc1ccccc1 ZINC000185378150 463811844 /nfs/dbraw/zinc/81/18/44/463811844.db2.gz VBDUPFNYORJLMK-NHYWBVRUSA-N -1 0 330.340 2.022 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)o1 ZINC000194790640 463928950 /nfs/dbraw/zinc/92/89/50/463928950.db2.gz DLNWTVOMFRTKES-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM O=C(Nc1cnn(Cc2ccccn2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000195229322 464020121 /nfs/dbraw/zinc/02/01/21/464020121.db2.gz XBZWKDJRGXABAM-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000263358706 464091145 /nfs/dbraw/zinc/09/11/45/464091145.db2.gz XVIHOLSKMQGZEI-INIZCTEOSA-N -1 0 335.360 2.110 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000263430642 464104186 /nfs/dbraw/zinc/10/41/86/464104186.db2.gz KNTILRPGGMQGLW-UHFFFAOYSA-N -1 0 347.352 2.313 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H](C)C(=O)[O-] ZINC000294465774 464507939 /nfs/dbraw/zinc/50/79/39/464507939.db2.gz CXUBMVVGGIKRBD-QWRGUYRKSA-N -1 0 335.360 2.034 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000192723174 464983925 /nfs/dbraw/zinc/98/39/25/464983925.db2.gz RKXZBOMLIURJCI-GFCCVEGCSA-N -1 0 346.343 2.010 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1nc(C(F)(F)F)no1 ZINC000600029380 468439416 /nfs/dbraw/zinc/43/94/16/468439416.db2.gz HCURHWAXISZDOH-RXMQYKEDSA-N -1 0 346.221 2.193 20 5 EEBDRM CC[C@@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000362745466 465995494 /nfs/dbraw/zinc/99/54/94/465995494.db2.gz BZUQBSGDSPBIGY-WCQYABFASA-N -1 0 349.387 2.424 20 5 EEBDRM CC(C)C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000362785202 466026259 /nfs/dbraw/zinc/02/62/59/466026259.db2.gz JHFHQRCJIJJJFF-ZDUSSCGKSA-N -1 0 347.371 2.413 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000353960479 466284167 /nfs/dbraw/zinc/28/41/67/466284167.db2.gz OXRRWKHGJIGSMQ-RYUDHWBXSA-N -1 0 335.360 2.014 20 5 EEBDRM Cn1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000331880933 466287135 /nfs/dbraw/zinc/28/71/35/466287135.db2.gz IHMMVUXJOQJYRD-CYBMUJFWSA-N -1 0 330.344 2.401 20 5 EEBDRM O=C([O-])c1cccc(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000347358839 466588766 /nfs/dbraw/zinc/58/87/66/466588766.db2.gz GHKNPUYJOOGHLU-UHFFFAOYSA-N -1 0 343.339 2.064 20 5 EEBDRM CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000322548324 466632941 /nfs/dbraw/zinc/63/29/41/466632941.db2.gz MDAQUHYHWGTWOS-UHFFFAOYSA-N -1 0 336.325 2.118 20 5 EEBDRM C[C@H](CC(=O)[O-])Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000416429362 466734129 /nfs/dbraw/zinc/73/41/29/466734129.db2.gz YDUXZTBGFQWVRX-LLVKDONJSA-N -1 0 331.328 2.844 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000428004708 467192807 /nfs/dbraw/zinc/19/28/07/467192807.db2.gz HTSJVRCNNMWJSR-MRVPVSSYSA-N -1 0 334.332 2.472 20 5 EEBDRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000435711996 467489527 /nfs/dbraw/zinc/48/95/27/467489527.db2.gz WBKXYXUAIQNXOP-JOCQHMNTSA-N -1 0 332.356 2.371 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)C2 ZINC000492540091 467667600 /nfs/dbraw/zinc/66/76/00/467667600.db2.gz VMBOXWDXLUBKFI-WEHFYCOYSA-N -1 0 330.340 2.321 20 5 EEBDRM CC(C)(CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C(=O)[O-] ZINC000497053692 467808608 /nfs/dbraw/zinc/80/86/08/467808608.db2.gz KPKYIHIVMWDGOS-UHFFFAOYSA-N -1 0 337.332 2.464 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493672221 467961273 /nfs/dbraw/zinc/96/12/73/467961273.db2.gz GCGBYWAKKZETNY-SIIXBRRKSA-N -1 0 336.319 2.316 20 5 EEBDRM O=C([O-])c1ccnc(NC2CCN(c3nccs3)CC2)c1[N+](=O)[O-] ZINC000517033533 468067081 /nfs/dbraw/zinc/06/70/81/468067081.db2.gz URIDUJCCKSJVNU-UHFFFAOYSA-N -1 0 349.372 2.225 20 5 EEBDRM Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578535939 468215296 /nfs/dbraw/zinc/21/52/96/468215296.db2.gz RFQQDYTWEBSIFQ-ZETCQYMHSA-N -1 0 338.751 2.487 20 5 EEBDRM C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C(=O)[O-] ZINC000567970071 468245939 /nfs/dbraw/zinc/24/59/39/468245939.db2.gz GBUBRBFNGRMDGL-SJKOYZFVSA-N -1 0 349.387 2.356 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000600668428 468615768 /nfs/dbraw/zinc/61/57/68/468615768.db2.gz VMMJTWQJBOMBFU-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM Cc1nc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000600875254 468672782 /nfs/dbraw/zinc/67/27/82/468672782.db2.gz KOYYKOADNXNVDT-OAHLLOKOSA-N -1 0 349.368 2.398 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000597945162 468721228 /nfs/dbraw/zinc/72/12/28/468721228.db2.gz XJWFQMZCFIZLTR-WCABBAIRSA-N -1 0 340.763 2.187 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](O)[C@H](C3CCCC3)C2)n1 ZINC000571093369 468738794 /nfs/dbraw/zinc/73/87/94/468738794.db2.gz MQVAFNRDGCDSKW-UONOGXRCSA-N -1 0 349.387 2.374 20 5 EEBDRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)CCC2 ZINC000595246059 468791616 /nfs/dbraw/zinc/79/16/16/468791616.db2.gz UWGJGIIASWCNEG-LBPRGKRZSA-N -1 0 343.339 2.471 20 5 EEBDRM O=C([O-])C1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC2(CCC2)C1 ZINC000595244070 468792198 /nfs/dbraw/zinc/79/21/98/468792198.db2.gz UDCJNJCBAGGADZ-UHFFFAOYSA-N -1 0 332.356 2.289 20 5 EEBDRM O=C([O-])c1ccnc(N2CC[C@H](Oc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000592976927 468832909 /nfs/dbraw/zinc/83/29/09/468832909.db2.gz HAMAVBYZHOQKBN-LBPRGKRZSA-N -1 0 347.302 2.485 20 5 EEBDRM CNC(=O)CC1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCCC1 ZINC000598385341 468849299 /nfs/dbraw/zinc/84/92/99/468849299.db2.gz JTMBBAZSFQSHHG-UHFFFAOYSA-N -1 0 349.387 2.117 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(CC(C)C)[n-]s1 ZINC000598770103 468997309 /nfs/dbraw/zinc/99/73/09/468997309.db2.gz JGIIHCAUJNGHRX-UHFFFAOYSA-N -1 0 336.373 2.328 20 5 EEBDRM O=C1N[C@@H](c2ccc([N+](=O)[O-])c([O-])c2)N2CCc3ccccc3[C@H]12 ZINC000602759262 469056152 /nfs/dbraw/zinc/05/61/52/469056152.db2.gz SGLJWJVJCZZFBI-HZPDHXFCSA-N -1 0 325.324 2.028 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000610765988 469066386 /nfs/dbraw/zinc/06/63/86/469066386.db2.gz NTZTYPDGLBAZBU-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C([O-])CN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000610846017 469087220 /nfs/dbraw/zinc/08/72/20/469087220.db2.gz SQQPXMDBQDQFLN-UHFFFAOYSA-N -1 0 335.360 2.253 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000611535406 469273837 /nfs/dbraw/zinc/27/38/37/469273837.db2.gz MLGYPLUOBSXZSZ-HQJQHLMTSA-N -1 0 334.250 2.092 20 5 EEBDRM Cc1n[nH]c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1[O-] ZINC000618872548 469460276 /nfs/dbraw/zinc/46/02/76/469460276.db2.gz XWVZTOLPRBGOCH-UHFFFAOYSA-N -1 0 344.249 2.281 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000619467092 469615728 /nfs/dbraw/zinc/61/57/28/469615728.db2.gz NGSCTAPTMKNMAS-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000614035537 469836198 /nfs/dbraw/zinc/83/61/98/469836198.db2.gz NWYPXIKDVRQACU-LLVKDONJSA-N -1 0 336.250 2.442 20 5 EEBDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000193821452 534919836 /nfs/dbraw/zinc/91/98/36/534919836.db2.gz TWRVEFDJNQWDQU-UHFFFAOYSA-N -1 0 342.352 2.387 20 5 EEBDRM C[C@H](NC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000738220045 578004293 /nfs/dbraw/zinc/00/42/93/578004293.db2.gz NWWJRKRLYJKLNX-BQBZGAKWSA-N -1 0 349.265 2.003 20 5 EEBDRM Cc1c(C(=O)NCc2ccc(C(=O)[O-])o2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000738260654 578006569 /nfs/dbraw/zinc/00/65/69/578006569.db2.gz VYTQUMJTCZWKID-UHFFFAOYSA-N -1 0 349.255 2.033 20 5 EEBDRM Cc1nn(Cc2ccc(C(=O)O[C@@H](C)C(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000738378593 576357963 /nfs/dbraw/zinc/35/79/63/576357963.db2.gz KCXQGFSBFYDLAF-NSHDSACASA-N -1 0 347.327 2.086 20 5 EEBDRM O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N-]OCc1ccccc1 ZINC000731528985 577105523 /nfs/dbraw/zinc/10/55/23/577105523.db2.gz SEXZLHURYNKAOM-UHFFFAOYSA-N -1 0 348.286 2.139 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2cccnc2Cl)ccc1[N+](=O)[O-] ZINC000766049536 577511869 /nfs/dbraw/zinc/51/18/69/577511869.db2.gz WCEAHWJXFUTTFJ-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]c1C1CC1 ZINC000768862246 577564434 /nfs/dbraw/zinc/56/44/34/577564434.db2.gz QPUOYXUPYSFYON-UHFFFAOYSA-N -1 0 328.375 2.366 20 5 EEBDRM O=C([O-])c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(F)c1 ZINC000768886384 577565051 /nfs/dbraw/zinc/56/50/51/577565051.db2.gz CMNUYFUOPKNWIL-UHFFFAOYSA-N -1 0 346.317 2.294 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H](F)c1ccccc1 ZINC000769299413 577574461 /nfs/dbraw/zinc/57/44/61/577574461.db2.gz QQSUXLLHSVSANS-NSHDSACASA-N -1 0 344.345 2.172 20 5 EEBDRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770621865 577600133 /nfs/dbraw/zinc/60/01/33/577600133.db2.gz LSSHVRILKQBCQS-UHFFFAOYSA-N -1 0 332.297 2.378 20 5 EEBDRM O=C([O-])CCCCCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000760103155 577657099 /nfs/dbraw/zinc/65/70/99/577657099.db2.gz COVDENXSDHLCHK-UHFFFAOYSA-N -1 0 344.389 2.049 20 5 EEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc(C(=O)[O-])n1)CC2 ZINC000762346234 577699537 /nfs/dbraw/zinc/69/95/37/577699537.db2.gz GMTXERNDJMJCIR-UHFFFAOYSA-N -1 0 327.296 2.199 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc2nonc21 ZINC000753014585 577780113 /nfs/dbraw/zinc/78/01/13/577780113.db2.gz INBYDZPNHUQTMT-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000749023459 577970153 /nfs/dbraw/zinc/97/01/53/577970153.db2.gz OSRRCJUESXUQCC-ZETCQYMHSA-N -1 0 346.792 2.408 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N(C)c2nc(CC(=O)[O-])cs2)c1 ZINC000738667911 578023275 /nfs/dbraw/zinc/02/32/75/578023275.db2.gz LAILMKVXJGAPHO-UHFFFAOYSA-N -1 0 335.341 2.263 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cs1 ZINC000740089897 578080403 /nfs/dbraw/zinc/08/04/03/578080403.db2.gz MUJNFKSTJPOEMA-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000736241660 578189361 /nfs/dbraw/zinc/18/93/61/578189361.db2.gz FAJWFDDMXNCVCG-GFCCVEGCSA-N -1 0 326.374 2.302 20 5 EEBDRM C[C@@H](CN(C(=O)CSc1ccccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736561436 578211421 /nfs/dbraw/zinc/21/14/21/578211421.db2.gz DFRPWMSBESZEDO-JTQLQIEISA-N -1 0 338.385 2.399 20 5 EEBDRM CN(C[C@H]1CCCOC1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000737414049 578256239 /nfs/dbraw/zinc/25/62/39/578256239.db2.gz WRIVHDKUCKAFHT-SECBINFHSA-N -1 0 339.304 2.064 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C(=O)[O-] ZINC000255190545 597223517 /nfs/dbraw/zinc/22/35/17/597223517.db2.gz XXMYOPWQZLWLRO-LLVKDONJSA-N -1 0 343.339 2.410 20 5 EEBDRM C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000828199848 600825726 /nfs/dbraw/zinc/82/57/26/600825726.db2.gz AJERFBZTSUJNMN-YPLMAAFVSA-N -1 0 345.355 2.114 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CCCOc2cccnc2)cc([N+](=O)[O-])c1 ZINC000833097973 600889753 /nfs/dbraw/zinc/88/97/53/600889753.db2.gz ARQMQRZEIASPLZ-UHFFFAOYSA-N -1 0 345.311 2.486 20 5 EEBDRM O=C([O-])c1cccc(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000833332002 601247291 /nfs/dbraw/zinc/24/72/91/601247291.db2.gz WZVCHFKWKQOULZ-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM NC(=NOCc1ccc([N+](=O)[O-])cc1F)c1cccc(C(=O)[O-])c1 ZINC000833078143 601351377 /nfs/dbraw/zinc/35/13/77/601351377.db2.gz IYJYSGLDBXWPLN-UHFFFAOYSA-N -1 0 333.275 2.479 20 5 EEBDRM C[C@@H](CN1CCCC1=O)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000827455649 602251624 /nfs/dbraw/zinc/25/16/24/602251624.db2.gz OCWZTYNGXCGYDV-QMMMGPOBSA-N -1 0 341.751 2.369 20 5 EEBDRM Cc1cc(N2CCC[C@@H](CCC(N)=O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891428 602315758 /nfs/dbraw/zinc/31/57/58/602315758.db2.gz RAZCOESXANWCEH-NSHDSACASA-N -1 0 335.360 2.083 20 5 EEBDRM Cc1cc(N2CCO[C@@H](C(F)(F)F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891583 602319349 /nfs/dbraw/zinc/31/93/49/602319349.db2.gz ZHPBDLZIMFVBOC-SNVBAGLBSA-N -1 0 334.250 2.369 20 5 EEBDRM Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896977 602320290 /nfs/dbraw/zinc/32/02/90/602320290.db2.gz IRTUPYKJDPGWNV-XTWCZFFVSA-N -1 0 333.344 2.023 20 5 EEBDRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000833383897 605351224 /nfs/dbraw/zinc/35/12/24/605351224.db2.gz VQVQYSRXLINORU-BLIJAFNYSA-N -1 0 341.323 2.335 20 5 EEBDRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000833383900 605351295 /nfs/dbraw/zinc/35/12/95/605351295.db2.gz VQVQYSRXLINORU-SNGWPZLWSA-N -1 0 341.323 2.335 20 5 EEBDRM O=C([O-])N1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000831985281 605626544 /nfs/dbraw/zinc/62/65/44/605626544.db2.gz IHSGKXUVTIJXKO-ZETCQYMHSA-N -1 0 345.153 2.307 20 5 EEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CC1 ZINC000176115818 676871090 /nfs/dbraw/zinc/87/10/90/676871090.db2.gz UZJFLCKPMFBIDH-DTWKUNHWSA-N -1 0 344.776 2.099 20 5 EEBDRM Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000072071308 678229251 /nfs/dbraw/zinc/22/92/51/678229251.db2.gz SXKVKLAPUBDDNQ-UHFFFAOYSA-N -1 0 329.284 2.256 20 5 EEBDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc([N+](=O)[O-])s1 ZINC000262352973 685588004 /nfs/dbraw/zinc/58/80/04/685588004.db2.gz BRCIWOGVUCFSTD-JTQLQIEISA-N -1 0 344.389 2.246 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)CC2(C)CC2)cccc1[N+](=O)[O-] ZINC000842403416 1189580839 /nfs/dbraw/zinc/58/08/39/1189580839.db2.gz BRAMDERZKBMEEA-UHFFFAOYSA-N -1 0 326.374 2.039 20 5 EEBDRM O=C(CCCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000813076683 1201101371 /nfs/dbraw/zinc/10/13/71/1201101371.db2.gz OOFMTNZLWUGOAM-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM Cn1ccnc1S(=O)(=O)[N-]c1cc2cccnc2c2ncccc12 ZINC001193597404 1282624550 /nfs/dbraw/zinc/62/45/50/1282624550.db2.gz AQWJOGCAMXHJDZ-UHFFFAOYSA-N -1 0 339.380 2.317 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000115924586 1294038873 /nfs/dbraw/zinc/03/88/73/1294038873.db2.gz MOYLSVBFHGBWGZ-UHFFFAOYSA-N -1 0 326.355 2.083 20 5 EEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cnn(CCF)c2)cc1[N+](=O)[O-] ZINC000863421040 1296273675 /nfs/dbraw/zinc/27/36/75/1296273675.db2.gz DVSQYMOVQIOGIW-UHFFFAOYSA-N -1 0 346.315 2.009 20 5 EEBDRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000179601353 1296510521 /nfs/dbraw/zinc/51/05/21/1296510521.db2.gz PKMXAPIWXRCHSE-ZDUSSCGKSA-N -1 0 328.390 2.472 20 5 EEBDRM O=c1ncc(F)c(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)[n-]1 ZINC001225885079 1301189067 /nfs/dbraw/zinc/18/90/67/1301189067.db2.gz LDJWGMBYNRBEHI-UHFFFAOYSA-N -1 0 334.307 2.277 20 5 EEBDRM Cc1cc(=O)[n-]c(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC001226157812 1301280312 /nfs/dbraw/zinc/28/03/12/1301280312.db2.gz GCJUHDSNGZYHEI-UHFFFAOYSA-N -1 0 330.344 2.447 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2C[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC001226653807 1301495989 /nfs/dbraw/zinc/49/59/89/1301495989.db2.gz ZOUSVTDWISDMFJ-IWSPIJDZSA-N -1 0 325.321 2.081 20 5 EEBDRM Cc1nnc(=S)[n-]c1OC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001227599929 1301903809 /nfs/dbraw/zinc/90/38/09/1301903809.db2.gz BGRODPKVDUDPRU-UHFFFAOYSA-N -1 0 347.400 2.425 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(OC[C@H]2Cc3ccccc3O2)cc1[O-] ZINC001228810973 1302462130 /nfs/dbraw/zinc/46/21/30/1302462130.db2.gz MAWPPSPIVWQUGB-LLVKDONJSA-N -1 0 345.307 2.470 20 5 EEBDRM CC1=C(Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C(=O)O[C@@H]1C ZINC001228860572 1302488441 /nfs/dbraw/zinc/48/84/41/1302488441.db2.gz WHONSLNDWIYUJD-RXMQYKEDSA-N -1 0 334.206 2.312 20 5 EEBDRM O=[N+]([O-])c1c([O-])cc(O)cc1OC[C@H]1CC[C@]2(CCCCO2)O1 ZINC001228972520 1302554274 /nfs/dbraw/zinc/55/42/74/1302554274.db2.gz XLQWJUPCQQIIQI-ABAIWWIYSA-N -1 0 325.317 2.461 20 5 EEBDRM COC(=O)[C@@H]1CCC[C@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231225526 1303689797 /nfs/dbraw/zinc/68/97/97/1303689797.db2.gz ZECPFADBEDKCQM-BDAKNGLRSA-N -1 0 340.288 2.319 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)C ZINC000781837056 1303877076 /nfs/dbraw/zinc/87/70/76/1303877076.db2.gz IWWPKHKOBWQIQO-MRVPVSSYSA-N -1 0 332.353 2.221 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000784593280 1304508900 /nfs/dbraw/zinc/50/89/00/1304508900.db2.gz JGIWPCGVDKGLCG-UHFFFAOYSA-N -1 0 345.336 2.195 20 5 EEBDRM O=C(N[C@@H](CCO)Cc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000799807629 1305445174 /nfs/dbraw/zinc/44/51/74/1305445174.db2.gz GCDNEWPOMVSPHB-AWEZNQCLSA-N -1 0 330.340 2.024 20 5 EEBDRM C[C@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000835232092 1314906014 /nfs/dbraw/zinc/90/60/14/1314906014.db2.gz RKXGTAGTSQLARN-XPTSAGLGSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C(Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)CCC1CCCC1 ZINC000835944534 1314963000 /nfs/dbraw/zinc/96/30/00/1314963000.db2.gz BRDYTQCXRGCLLK-UHFFFAOYSA-N -1 0 340.401 2.164 20 5 EEBDRM Cc1cc(N[C@@H]2SC(=O)[N-]C2=O)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163667097 1321186815 /nfs/dbraw/zinc/18/68/15/1321186815.db2.gz XRDLJEAKMVFDHN-CYBMUJFWSA-N -1 0 345.340 2.081 20 5 EEBDRM Cc1cc(OCC(=O)N(CC(=O)[O-])C2CCCC2)ccc1[N+](=O)[O-] ZINC001607700524 1351541863 /nfs/dbraw/zinc/54/18/63/1351541863.db2.gz AYMBANCPPMLKIM-UHFFFAOYSA-N -1 0 336.344 2.138 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC2CC(CC(=O)[O-])C2)c1F ZINC001607708687 1351543831 /nfs/dbraw/zinc/54/38/31/1351543831.db2.gz KOHYECXOXMFILW-UHFFFAOYSA-N -1 0 328.271 2.165 20 5 EEBDRM Nc1c(NC(=O)NC2CC(CC(=O)[O-])C2)cc(Cl)cc1[N+](=O)[O-] ZINC001608269881 1351659820 /nfs/dbraw/zinc/65/98/20/1351659820.db2.gz FBOXYXQIVYWXLM-UHFFFAOYSA-N -1 0 342.739 2.205 20 5 EEBDRM O=C([O-])C1(C2(O)CCN(c3sccc3[N+](=O)[O-])CC2)CCC1 ZINC001608568060 1351717959 /nfs/dbraw/zinc/71/79/59/1351717959.db2.gz KWUUXRLLHUZWAI-UHFFFAOYSA-N -1 0 326.374 2.243 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc21 ZINC001608643188 1351731986 /nfs/dbraw/zinc/73/19/86/1351731986.db2.gz YNDRVBSNQXEJKY-CYBMUJFWSA-N -1 0 344.298 2.491 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@H](CO)c2cccnc2)c([N+](=O)[O-])c1 ZINC001608661270 1351736645 /nfs/dbraw/zinc/73/66/45/1351736645.db2.gz QPFQCGCGHVEVTE-KXQLTZBTSA-N -1 0 329.312 2.233 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1 ZINC001608758638 1351756362 /nfs/dbraw/zinc/75/63/62/1351756362.db2.gz VALIWQPGTMAZNT-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@H](c3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC001608835749 1351774892 /nfs/dbraw/zinc/77/48/92/1351774892.db2.gz UPLCCKAYNZLWAV-LBPRGKRZSA-N -1 0 341.323 2.318 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC001608914138 1351792876 /nfs/dbraw/zinc/79/28/76/1351792876.db2.gz BMKVBPBFDNSAEE-CABZTGNLSA-N -1 0 348.277 2.038 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3ccccn3)C2)n1 ZINC001608915019 1351793599 /nfs/dbraw/zinc/79/35/99/1351793599.db2.gz YXNUHOGVTJNXFI-LLVKDONJSA-N -1 0 328.328 2.467 20 5 EEBDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cc1 ZINC001322273706 1333240355 /nfs/dbraw/zinc/24/03/55/1333240355.db2.gz PLFZRMBGNRKFIC-UHFFFAOYSA-N -1 0 341.370 2.416 20 5 EEBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)C(C)(C)C(=O)[O-] ZINC001609798478 1352087811 /nfs/dbraw/zinc/08/78/11/1352087811.db2.gz WHCWDWRHRWBSRR-ZETCQYMHSA-N -1 0 343.719 2.473 20 5 EEBDRM CC1(C(=O)[O-])CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC001609811839 1352091405 /nfs/dbraw/zinc/09/14/05/1352091405.db2.gz HIFAKAPLFWXMLD-UHFFFAOYSA-N -1 0 336.347 2.228 20 5 EEBDRM COc1cc([C@@H]2C(C(=O)[O-])=C(C)N(C)C(=O)N2C)ccc1[N+](=O)[O-] ZINC001610290680 1352200727 /nfs/dbraw/zinc/20/07/27/1352200727.db2.gz AWOHJYINFXXBQK-CYBMUJFWSA-N -1 0 335.316 2.000 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001610347881 1352209096 /nfs/dbraw/zinc/20/90/96/1352209096.db2.gz NDAQHDQTIDVTKR-LRDDRELGSA-N -1 0 336.344 2.367 20 5 EEBDRM Cc1c(CNC(=O)c2cccc(CC(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001610415274 1352219116 /nfs/dbraw/zinc/21/91/16/1352219116.db2.gz MRCYWNMYHYIMAB-UHFFFAOYSA-N -1 0 328.324 2.460 20 5 EEBDRM Cc1cc(NCC(C)(C)[C@]2(O)CCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610474845 1352228704 /nfs/dbraw/zinc/22/87/04/1352228704.db2.gz WEKVAGIYCVSYKZ-INIZCTEOSA-N -1 0 338.360 2.191 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001610479624 1352229782 /nfs/dbraw/zinc/22/97/82/1352229782.db2.gz HRIAMUHGTQBWDU-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1C(=O)[O-] ZINC001610557101 1352244038 /nfs/dbraw/zinc/24/40/38/1352244038.db2.gz BQCOQBRJIOVVOD-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM Cn1c(Cl)cnc1COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610598181 1352251573 /nfs/dbraw/zinc/25/15/73/1352251573.db2.gz AZJMMCAIVNODCP-UHFFFAOYSA-N -1 0 339.691 2.037 20 5 EEBDRM Cn1ncc(CCCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])n1 ZINC001610613810 1352254306 /nfs/dbraw/zinc/25/43/06/1352254306.db2.gz GSCRSCPKUIKIRF-UHFFFAOYSA-N -1 0 339.739 2.120 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001610794405 1352275851 /nfs/dbraw/zinc/27/58/51/1352275851.db2.gz XGDAWFNSJGWSON-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2cc(F)ccc2Cl)c1 ZINC001610817452 1352280033 /nfs/dbraw/zinc/28/00/33/1352280033.db2.gz JMROLCLMXXKXGC-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594806280 1349877703 /nfs/dbraw/zinc/87/77/03/1349877703.db2.gz DFIXHDGEPBWGFZ-KYZUINATSA-N -1 0 330.300 2.128 20 5 EEBDRM Cc1cc(N2CCC[C@H](C(=O)NC3CC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240532 1349999654 /nfs/dbraw/zinc/99/96/54/1349999654.db2.gz VVSNPFPXWUZRNV-NSHDSACASA-N -1 0 347.371 2.096 20 5 EEBDRM Cc1cc(N2CCO[C@@H](COC(C)C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600241187 1350000034 /nfs/dbraw/zinc/00/00/34/1350000034.db2.gz YBFCNBCSUYESNR-GFCCVEGCSA-N -1 0 338.360 2.232 20 5 EEBDRM Cc1cc(N2CCO[C@H](C(F)F)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600241088 1350000334 /nfs/dbraw/zinc/00/03/34/1350000334.db2.gz NCNLGWPVRIRNHV-NSHDSACASA-N -1 0 330.287 2.462 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001600304768 1350015558 /nfs/dbraw/zinc/01/55/58/1350015558.db2.gz LJJFYVVPZPYBRK-KJEVXHAQSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)n1 ZINC001600304436 1350015743 /nfs/dbraw/zinc/01/57/43/1350015743.db2.gz QNVIAVSQUYSUAM-UHFFFAOYSA-N -1 0 345.311 2.404 20 5 EEBDRM Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001600339927 1350024333 /nfs/dbraw/zinc/02/43/33/1350024333.db2.gz HHGRTDYWANTWFK-UHFFFAOYSA-N -1 0 343.339 2.443 20 5 EEBDRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001600344396 1350025018 /nfs/dbraw/zinc/02/50/18/1350025018.db2.gz HUEQMPZDZDYHKO-UHFFFAOYSA-N -1 0 330.296 2.488 20 5 EEBDRM Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C(=O)[O-])cc1 ZINC001600378927 1350034765 /nfs/dbraw/zinc/03/47/65/1350034765.db2.gz RCFUWZXIMWRTCQ-CQSZACIVSA-N -1 0 343.339 2.282 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC001600487543 1350063389 /nfs/dbraw/zinc/06/33/89/1350063389.db2.gz BZOVRPMSDHGUMG-UHFFFAOYSA-N -1 0 336.344 2.186 20 5 EEBDRM Cc1cnc(NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001600623304 1350100309 /nfs/dbraw/zinc/10/03/09/1350100309.db2.gz AUIQMYFMFACTCH-ZDUSSCGKSA-N -1 0 335.291 2.381 20 5 EEBDRM Cc1cnc(COC(=O)c2ccoc2CC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC001600621562 1350100405 /nfs/dbraw/zinc/10/04/05/1350100405.db2.gz DZIFRUVEWJRRPY-UHFFFAOYSA-N -1 0 334.284 2.184 20 5 EEBDRM Cc1nn(C)c(C)c1CCC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001600771894 1350132597 /nfs/dbraw/zinc/13/25/97/1350132597.db2.gz ZOZXMBGNMKZAFU-UHFFFAOYSA-N -1 0 347.327 2.182 20 5 EEBDRM Cc1sc(C)c(C(=O)[O-])c1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001600875083 1350157902 /nfs/dbraw/zinc/15/79/02/1350157902.db2.gz WDNFTGWJULDREH-UHFFFAOYSA-N -1 0 338.345 2.197 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001600970380 1350179330 /nfs/dbraw/zinc/17/93/30/1350179330.db2.gz GGSGBBDPLPNYAE-UHFFFAOYSA-N -1 0 340.238 2.267 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2F)c1 ZINC001601342532 1350262010 /nfs/dbraw/zinc/26/20/10/1350262010.db2.gz GFVBCJIIIFCANU-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC001601365622 1350267864 /nfs/dbraw/zinc/26/78/64/1350267864.db2.gz XOPXFLIZGWLANH-AWEZNQCLSA-N -1 0 338.335 2.426 20 5 EEBDRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001601409237 1350277695 /nfs/dbraw/zinc/27/76/95/1350277695.db2.gz PTQMMVXRAHMONZ-KOLCDFICSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)nc1C1CC1 ZINC001601532817 1350302242 /nfs/dbraw/zinc/30/22/42/1350302242.db2.gz LKDQHZASHFDUFM-UHFFFAOYSA-N -1 0 341.323 2.495 20 5 EEBDRM O=C([O-])[C@H]1[C@@H](O)CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001601752419 1350356864 /nfs/dbraw/zinc/35/68/64/1350356864.db2.gz KBVLQTRTEUBWKQ-NWDGAFQWSA-N -1 0 348.277 2.024 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC001601894540 1350391948 /nfs/dbraw/zinc/39/19/48/1350391948.db2.gz GTYLECLKYVCVKL-SECBINFHSA-N -1 0 342.298 2.033 20 5 EEBDRM O=C([O-])C[C@]1(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCOC1 ZINC001601928502 1350399047 /nfs/dbraw/zinc/39/90/47/1350399047.db2.gz RFTWODHKQQYWLE-CYBMUJFWSA-N -1 0 343.723 2.004 20 5 EEBDRM O=C([O-])C[C@@]1(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCOC1 ZINC001601931747 1350400287 /nfs/dbraw/zinc/40/02/87/1350400287.db2.gz YHKMTYGRBZYZTC-AWEZNQCLSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@@H](c3ccncc3)C2)cc([N+](=O)[O-])c1 ZINC001602242386 1350474688 /nfs/dbraw/zinc/47/46/88/1350474688.db2.gz KNVSNQIGKHLEND-GFCCVEGCSA-N -1 0 341.323 2.318 20 5 EEBDRM O=C([O-])c1cc(C(=O)Oc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 ZINC001602251129 1350476918 /nfs/dbraw/zinc/47/69/18/1350476918.db2.gz SRUXAKBBSJRHDO-UHFFFAOYSA-N -1 0 331.236 2.241 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cnc3[nH]ccc3c2)cc([N+](=O)[O-])c1 ZINC001602286202 1350486263 /nfs/dbraw/zinc/48/62/63/1350486263.db2.gz LDJBNFIVAODSAF-UHFFFAOYSA-N -1 0 326.268 2.373 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001602379107 1350507402 /nfs/dbraw/zinc/50/74/02/1350507402.db2.gz HVGGUIUGXOCTPV-UHFFFAOYSA-N -1 0 328.284 2.236 20 5 EEBDRM O=C([O-])c1ccc(OC[C@H](O)COc2ccccc2)c([N+](=O)[O-])c1 ZINC001602390167 1350509210 /nfs/dbraw/zinc/50/92/10/1350509210.db2.gz VMMUNHBXDXVHJJ-GFCCVEGCSA-N -1 0 333.296 2.112 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Cn2ncc(Cl)c(Cl)c2=O)c1 ZINC001602403722 1350511566 /nfs/dbraw/zinc/51/15/66/1350511566.db2.gz PJLSYNVGTKBFAZ-UHFFFAOYSA-N -1 0 344.110 2.205 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCN2Cc3ccccc3C2)n1 ZINC001602405760 1350511991 /nfs/dbraw/zinc/51/19/91/1350511991.db2.gz KNPYHYJPPPLPTM-UHFFFAOYSA-N -1 0 328.328 2.116 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001602408885 1350512956 /nfs/dbraw/zinc/51/29/56/1350512956.db2.gz UYDIGXQCGRFXOH-UHFFFAOYSA-N -1 0 346.251 2.463 20 5 EEBDRM O=C([O-])c1cncc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC001602540468 1350542177 /nfs/dbraw/zinc/54/21/77/1350542177.db2.gz UVEWVPNOXXBTFB-UHFFFAOYSA-N -1 0 327.300 2.219 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001602605578 1350555169 /nfs/dbraw/zinc/55/51/69/1350555169.db2.gz GKRXOYIAQXQCOL-KXUCPTDWSA-N -1 0 333.218 2.462 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001602625212 1350560367 /nfs/dbraw/zinc/56/03/67/1350560367.db2.gz VEAABBDEJRKWBM-ABKXIKBNSA-N -1 0 329.312 2.155 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2NC(=O)C[C@@H]2c2ccccc2)c1 ZINC001602634630 1350562942 /nfs/dbraw/zinc/56/29/42/1350562942.db2.gz GNHZNHIRXLVJTM-OAHLLOKOSA-N -1 0 341.323 2.271 20 5 EEBDRM C/C(=C/C(=O)N1CCSC[C@@H]1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001602951461 1350609399 /nfs/dbraw/zinc/60/93/99/1350609399.db2.gz NPWNEZUZXWGERL-CHOZFAJLSA-N -1 0 336.369 2.027 20 5 EEBDRM CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC001603306494 1350684541 /nfs/dbraw/zinc/68/45/41/1350684541.db2.gz CCCVGBYQKQZJBF-JTQLQIEISA-N -1 0 348.363 2.324 20 5 EEBDRM CC(C)(CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C(=O)[O-] ZINC001603613476 1350728181 /nfs/dbraw/zinc/72/81/81/1350728181.db2.gz PKOZYBIKJSPPBU-UHFFFAOYSA-N -1 0 348.315 2.386 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001603934290 1350806067 /nfs/dbraw/zinc/80/60/67/1350806067.db2.gz ORYRISDWROTMOU-OAHLLOKOSA-N -1 0 340.307 2.021 20 5 EEBDRM C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@H](C)C1O ZINC001604808456 1351011520 /nfs/dbraw/zinc/01/15/20/1351011520.db2.gz WVRXXPOJYJCUPC-YUMQZZPRSA-N -1 0 328.752 2.400 20 5 EEBDRM CCCC[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC001605251634 1351115921 /nfs/dbraw/zinc/11/59/21/1351115921.db2.gz QEPGKWDLFYCUJG-NSHDSACASA-N -1 0 339.300 2.166 20 5 EEBDRM CCCOCCOC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001605337355 1351139801 /nfs/dbraw/zinc/13/98/01/1351139801.db2.gz SMTRRUBMLYLDJZ-OAHLLOKOSA-N -1 0 340.332 2.047 20 5 EEBDRM CCc1ccc(S(=O)(=O)N(CC)C(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001605822333 1351229180 /nfs/dbraw/zinc/22/91/80/1351229180.db2.gz APFKEIFPLMFDLC-UHFFFAOYSA-N -1 0 344.389 2.031 20 5 EEBDRM CCn1cccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1=O ZINC001605928167 1351255386 /nfs/dbraw/zinc/25/53/86/1351255386.db2.gz UPBBSIZMWXSWAR-SOFGYWHQSA-N -1 0 343.339 2.486 20 5 EEBDRM CCn1cccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1=O ZINC001605928169 1351255553 /nfs/dbraw/zinc/25/55/53/1351255553.db2.gz UPBBSIZMWXSWAR-VURMDHGXSA-N -1 0 343.339 2.486 20 5 EEBDRM COC(=O)[C@H]1CC12CCN(c1ccc(CC(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001606381732 1351299152 /nfs/dbraw/zinc/29/91/52/1351299152.db2.gz MQMGEFSYFUIPCX-GFCCVEGCSA-N -1 0 348.355 2.001 20 5 EEBDRM c1nnc(-c2nnn[n-]2)n1Cc1nc2ccccc2c2ccccc21 ZINC001607131606 1351433009 /nfs/dbraw/zinc/43/30/09/1351433009.db2.gz GHFPZLGWQFOOAZ-UHFFFAOYSA-N -1 0 328.339 2.208 20 5 EEBDRM COc1cc(C)cnc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607150186 1351438442 /nfs/dbraw/zinc/43/84/42/1351438442.db2.gz VKENTZBTSDODRC-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COc1ccc(C(=O)[O-])c(NC(=O)CCC(C)(C)[N+](=O)[O-])c1F ZINC001607210005 1351449576 /nfs/dbraw/zinc/44/95/76/1351449576.db2.gz USHCQYROWOKWHE-UHFFFAOYSA-N -1 0 328.296 2.307 20 5 EEBDRM COc1cccc([C@](C)(CC(=O)[O-])NCc2onc(C)c2[N+](=O)[O-])c1 ZINC001607312960 1351470926 /nfs/dbraw/zinc/47/09/26/1351470926.db2.gz KLXYRVVKQZPAGQ-INIZCTEOSA-N -1 0 349.343 2.380 20 5 EEBDRM Cc1c(NC(=O)N(C)CCCCCO)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607540379 1351512801 /nfs/dbraw/zinc/51/28/01/1351512801.db2.gz FCAGDCZLRWHKRI-UHFFFAOYSA-N -1 0 339.348 2.228 20 5 EEBDRM Cc1cc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC001607578017 1351518781 /nfs/dbraw/zinc/51/87/81/1351518781.db2.gz GGLDXQNBUZGWHA-LBPRGKRZSA-N -1 0 349.387 2.496 20 5 EEBDRM Cc1cc(N(C)Cc2nnc3ccccn32)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607670349 1351536872 /nfs/dbraw/zinc/53/68/72/1351536872.db2.gz VNPKANYHHAMKMM-UHFFFAOYSA-N -1 0 341.327 2.281 20 5 EEBDRM Cc1cccc(OC[C@@H](O)COc2cccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001607859106 1351573294 /nfs/dbraw/zinc/57/32/94/1351573294.db2.gz ORSRFVXKCLCDNM-GFCCVEGCSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1nn(C)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C(=O)[O-] ZINC001607997928 1351600289 /nfs/dbraw/zinc/60/02/89/1351600289.db2.gz BRYNKWDLCNDVJL-UHFFFAOYSA-N -1 0 344.283 2.333 20 5 EEBDRM Nc1c(C(=O)NCc2ccc(C(=O)[O-])s2)cc(F)cc1[N+](=O)[O-] ZINC001608267032 1351659478 /nfs/dbraw/zinc/65/94/78/1351659478.db2.gz RRNVFPLWFDLSKD-UHFFFAOYSA-N -1 0 339.304 2.006 20 5 EEBDRM O=C([O-])c1ccc(CC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cn1 ZINC001608362341 1351679016 /nfs/dbraw/zinc/67/90/16/1351679016.db2.gz VJDUNAQJCMBADK-UHFFFAOYSA-N -1 0 337.238 2.147 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001608363235 1351679138 /nfs/dbraw/zinc/67/91/38/1351679138.db2.gz VXNYDZYQYWOUSI-UHFFFAOYSA-N -1 0 349.730 2.200 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H]1CC2CCC1CC2 ZINC000815946264 1368078111 /nfs/dbraw/zinc/07/81/11/1368078111.db2.gz JZUFQCOWWROJEX-NWGYLPEXSA-N -1 0 344.414 2.288 20 5 EEBDRM O=C(NCc1ccc(-c2cn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001578014189 1403710811 /nfs/dbraw/zinc/71/08/11/1403710811.db2.gz GMKQPLZXIRXYBP-UHFFFAOYSA-N -1 0 339.311 2.016 20 5 EEBDRM COC(=O)[C@H](CCC(=O)[O-])N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001606332669 1404795150 /nfs/dbraw/zinc/79/51/50/1404795150.db2.gz QWGUISXTXYKXRC-LBPRGKRZSA-N -1 0 344.751 2.086 20 5 EEBDRM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606371848 1404805567 /nfs/dbraw/zinc/80/55/67/1404805567.db2.gz PNAMMBOKQLBTSI-LNSITVRQSA-N -1 0 348.355 2.067 20 5 EEBDRM CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000918479320 769135177 /nfs/dbraw/zinc/13/51/77/769135177.db2.gz LVCVEPJKJGLBDF-SNVBAGLBSA-N -1 0 346.430 2.322 20 5 EEBDRM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160475 775442003 /nfs/dbraw/zinc/44/20/03/775442003.db2.gz ZNLVKOLHKJMKSI-UHFFFAOYSA-N -1 0 332.384 2.145 20 5 EEBDRM COc1ccc2c(=O)[nH]n(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)c2c1 ZINC000819950900 785736919 /nfs/dbraw/zinc/73/69/19/785736919.db2.gz MZGSLNMJLCNZNL-UHFFFAOYSA-N -1 0 329.268 2.053 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cccc3nonc32)ccc1[N+](=O)[O-] ZINC000820800674 786477701 /nfs/dbraw/zinc/47/77/01/786477701.db2.gz AGDPZTKVEONJCV-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM COc1cccc([C@H](O)CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000844207774 788926697 /nfs/dbraw/zinc/92/66/97/788926697.db2.gz FZZGSLQURJLLDO-CYBMUJFWSA-N -1 0 347.327 2.151 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@H]2Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000844211002 788928702 /nfs/dbraw/zinc/92/87/02/788928702.db2.gz DOOOLWGOAHTOLV-LLVKDONJSA-N -1 0 329.316 2.276 20 5 EEBDRM CCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000844883220 789430426 /nfs/dbraw/zinc/43/04/26/789430426.db2.gz CNCQAXHBUMASIX-UHFFFAOYSA-N -1 0 330.362 2.152 20 5 EEBDRM CCCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001118198595 789697092 /nfs/dbraw/zinc/69/70/92/789697092.db2.gz XISGTTDXLICVQG-UHFFFAOYSA-N -1 0 330.362 2.152 20 5 EEBDRM CCC(=CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)CC ZINC000152263396 794731214 /nfs/dbraw/zinc/73/12/14/794731214.db2.gz QKNCRFJNIMCMJK-UHFFFAOYSA-N -1 0 326.374 2.455 20 5 EEBDRM O=C([O-])c1cc(Nc2cc3n(n2)CC(F)(F)CO3)cc([N+](=O)[O-])c1 ZINC001176678557 798525961 /nfs/dbraw/zinc/52/59/61/798525961.db2.gz UBTTXMQEKFWLAV-UHFFFAOYSA-N -1 0 340.242 2.261 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)cc1 ZINC000790645191 808862593 /nfs/dbraw/zinc/86/25/93/808862593.db2.gz VTOHEOQXJMAPIU-UHFFFAOYSA-N -1 0 330.325 2.339 20 5 EEBDRM O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000610846106 939807756 /nfs/dbraw/zinc/80/77/56/939807756.db2.gz KKJJZKFGFZYTQE-SFHVURJKSA-N -1 0 340.335 2.180 20 5 EEBDRM CCNc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001589960461 950737872 /nfs/dbraw/zinc/73/78/72/950737872.db2.gz YZWLZSOQMKRAGC-YGRLFVJLSA-N -1 0 335.360 2.352 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001595196928 952302919 /nfs/dbraw/zinc/30/29/19/952302919.db2.gz MGHTZKZCGCMCHN-ZETCQYMHSA-N -1 0 330.699 2.324 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001589343313 954030448 /nfs/dbraw/zinc/03/04/48/954030448.db2.gz DEKNWBCPHWZPSG-GYSYKLTISA-N -1 0 335.360 2.408 20 5 EEBDRM CC[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001589537912 955173450 /nfs/dbraw/zinc/17/34/50/955173450.db2.gz NIOFGCKMGYMKPJ-ZETCQYMHSA-N -1 0 347.274 2.429 20 5 EEBDRM Nc1c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc2ccccc2c1[N+](=O)[O-] ZINC001594659932 956524396 /nfs/dbraw/zinc/52/43/96/956524396.db2.gz SCWULSHTXONXRG-LLVKDONJSA-N -1 0 343.339 2.267 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)[O-])CC1 ZINC001594308241 957990491 /nfs/dbraw/zinc/99/04/91/957990491.db2.gz UCWWEVYJZXCFCX-UHFFFAOYSA-N -1 0 326.736 2.493 20 5 EEBDRM Cc1cc(OCc2nc(C3(C(=O)[O-])CCC3)no2)ccc1[N+](=O)[O-] ZINC001594328631 958197501 /nfs/dbraw/zinc/19/75/01/958197501.db2.gz ZAVNASAJJIMLEB-UHFFFAOYSA-N -1 0 333.300 2.372 20 5 EEBDRM C[C@H](C(=O)NCCC(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001588557435 959068165 /nfs/dbraw/zinc/06/81/65/959068165.db2.gz RAMOLVSHIINGLB-VIFPVBQESA-N -1 0 326.324 2.455 20 5 EEBDRM C[C@@H](OC(=O)CCC(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001603270830 972478780 /nfs/dbraw/zinc/47/87/80/972478780.db2.gz CDGWSKZUBXGXGH-MRVPVSSYSA-N -1 0 335.272 2.114 20 5 EEBDRM CN(CC(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001573998473 961861703 /nfs/dbraw/zinc/86/17/03/961861703.db2.gz WPKRIRPGQNRCGZ-UHFFFAOYSA-N -1 0 345.311 2.074 20 5 EEBDRM O=C([O-])c1c(NC(=O)c2csc([N+](=O)[O-])c2)nc2ccccn21 ZINC001574608988 962196274 /nfs/dbraw/zinc/19/62/74/962196274.db2.gz IUIWJUJQHDVEQK-UHFFFAOYSA-N -1 0 332.297 2.255 20 5 EEBDRM CC(C)Oc1cc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)ccc1[N+](=O)[O-] ZINC001588935191 962489952 /nfs/dbraw/zinc/48/99/52/962489952.db2.gz NHGQODUKNLFEOY-UHFFFAOYSA-N -1 0 334.288 2.056 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001588957967 962605616 /nfs/dbraw/zinc/60/56/16/962605616.db2.gz JJDMYCRHJRKQBC-JTQLQIEISA-N -1 0 334.250 2.453 20 5 EEBDRM C[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001605041869 972654897 /nfs/dbraw/zinc/65/48/97/972654897.db2.gz GZPYCCCMHPFPJB-SDDRHHMPSA-N -1 0 336.344 2.042 20 5 EEBDRM COc1ccc(CNc2cnn(C(C)(C)C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001604799932 974040499 /nfs/dbraw/zinc/04/04/99/974040499.db2.gz XKIDYJMPENSJSU-UHFFFAOYSA-N -1 0 334.332 2.232 20 5 EEBDRM O=C([O-])c1ccsc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001606533828 974051925 /nfs/dbraw/zinc/05/19/25/974051925.db2.gz IFYACCCMLJIHDX-UHFFFAOYSA-N -1 0 332.297 2.483 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC001591751779 975808734 /nfs/dbraw/zinc/80/87/34/975808734.db2.gz FXMZIDOZJNHOOP-UHFFFAOYSA-N -1 0 336.344 2.319 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)NCCCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC001591921291 976394785 /nfs/dbraw/zinc/39/47/85/976394785.db2.gz XHFIREDUGUPUKB-UHFFFAOYSA-N -1 0 326.353 2.206 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001592298194 977645905 /nfs/dbraw/zinc/64/59/05/977645905.db2.gz WYVCCXKFGTUXDX-JJRVBVJISA-N -1 0 332.356 2.458 20 5 EEBDRM C[C@H](CC(=O)[O-])C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001592371806 977898513 /nfs/dbraw/zinc/89/85/13/977898513.db2.gz UCTVMXOHNDYYCC-SECBINFHSA-N -1 0 334.284 2.404 20 5 EEBDRM CC[C@H](C[C@H](C)O)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595036601 979197928 /nfs/dbraw/zinc/19/79/28/979197928.db2.gz WCVHWXXRZDEKBP-GZMMTYOYSA-N -1 0 339.348 2.272 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@H]3CSC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000864216050 979903734 /nfs/dbraw/zinc/90/37/34/979903734.db2.gz AIWUFGWWIMZSCB-JOYOIKCWSA-N -1 0 336.369 2.118 20 5 EEBDRM CC[C@H](C(=O)[O-])C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001594756584 981675617 /nfs/dbraw/zinc/67/56/17/981675617.db2.gz SDFQKBFBSPPUAC-JTQLQIEISA-N -1 0 334.250 2.341 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001594974361 982745391 /nfs/dbraw/zinc/74/53/91/982745391.db2.gz FGNJRRJZPCDFKE-QMMMGPOBSA-N -1 0 330.287 2.127 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCSCC(=O)[O-] ZINC001597143038 986895759 /nfs/dbraw/zinc/89/57/59/986895759.db2.gz RLNHAGZNYTVWFR-UHFFFAOYSA-N -1 0 328.346 2.140 20 5 EEBDRM CC[C@@H](NC(=O)CCc1ocnc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597286243 987367337 /nfs/dbraw/zinc/36/73/37/987367337.db2.gz RSGKZBAIJRFQOT-GFCCVEGCSA-N -1 0 347.327 2.481 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC001599822504 988538481 /nfs/dbraw/zinc/53/84/81/988538481.db2.gz JHZQCKQJWNGRMV-ZDUSSCGKSA-N -1 0 347.352 2.267 20 5 EEBDRM C[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H]1C(=O)[O-] ZINC001599868528 989310468 /nfs/dbraw/zinc/31/04/68/989310468.db2.gz AKMXXSMBGPWWBF-GMSGAONNSA-N -1 0 336.735 2.348 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)O[C@H]1C(=O)[O-] ZINC001599874326 989398556 /nfs/dbraw/zinc/39/85/56/989398556.db2.gz CTSAHTXVYGECCS-VCTAVGKDSA-N -1 0 348.355 2.142 20 5 EEBDRM CC(C)(/C=C\Cl)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001590615090 990286719 /nfs/dbraw/zinc/28/67/19/990286719.db2.gz IYPYKULQBSAVDJ-WAYWQWQTSA-N -1 0 348.764 2.102 20 5 EEBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC001598072731 990372275 /nfs/dbraw/zinc/37/22/75/990372275.db2.gz FZDZOWHPQOXMDS-ZDUSSCGKSA-N -1 0 338.360 2.162 20 5 EEBDRM COc1nc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccc1C ZINC001599730708 991705231 /nfs/dbraw/zinc/70/52/31/991705231.db2.gz UUKHPOWJUWXTEP-KRWDZBQOSA-N -1 0 345.355 2.396 20 5 EEBDRM COc1nc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccc1C ZINC001599730710 991706750 /nfs/dbraw/zinc/70/67/50/991706750.db2.gz UUKHPOWJUWXTEP-QGZVFWFLSA-N -1 0 345.355 2.396 20 5 EEBDRM C[S@](=O)[C@@H]1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001599775799 992300958 /nfs/dbraw/zinc/30/09/58/992300958.db2.gz SNIMGZGUJFZRTO-RUYXUOGBSA-N -1 0 326.374 2.395 20 5 EEBDRM CN(CCOc1ccc(F)cc1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598499134 992406092 /nfs/dbraw/zinc/40/60/92/992406092.db2.gz ALCDTIVHADNLRL-UHFFFAOYSA-N -1 0 335.291 2.342 20 5 EEBDRM COc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c([N+](=O)[O-])c1 ZINC001599594073 993725776 /nfs/dbraw/zinc/72/57/76/993725776.db2.gz KOGFCPFEQFQABS-MRGUHSIWSA-N -1 0 349.343 2.224 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC001599621383 994088524 /nfs/dbraw/zinc/08/85/24/994088524.db2.gz HALWFVJTMIENGD-GFCCVEGCSA-N -1 0 336.325 2.221 20 5 EEBDRM C[C@](NCc1nccn1C1CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593316714 994813483 /nfs/dbraw/zinc/81/34/83/994813483.db2.gz JPHNLLPUVAIGCH-MRXNPFEDSA-N -1 0 330.344 2.216 20 5 EEBDRM COc1cc([N+](=O)[O-])cn(Cc2ccc(C(=O)[O-])c(Cl)c2)c1=O ZINC001599462637 998300893 /nfs/dbraw/zinc/30/08/93/998300893.db2.gz CTARYMTWJRTRKB-UHFFFAOYSA-N -1 0 338.703 2.165 20 5 EEBDRM COc1ccc(C(=O)N2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cc1[N+](=O)[O-] ZINC001599480053 998592689 /nfs/dbraw/zinc/59/26/89/998592689.db2.gz LXIUXVHUUYTBBN-PEGIJTEDSA-N -1 0 336.344 2.317 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000191446652 239117940 /nfs/dbraw/zinc/11/79/40/239117940.db2.gz VTUVRUIPHQLBLR-VIFPVBQESA-N -1 0 346.343 2.152 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000073435961 216386813 /nfs/dbraw/zinc/38/68/13/216386813.db2.gz GLLFPQFRXOCCIA-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(=O)[O-] ZINC000236732290 242337526 /nfs/dbraw/zinc/33/75/26/242337526.db2.gz WMOFQOPUDTXRLV-LLVKDONJSA-N -1 0 335.360 2.034 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]C(=O)/C=C/C(C)(C)C)ccc1[N+](=O)[O-] ZINC000492141889 246322822 /nfs/dbraw/zinc/32/28/22/246322822.db2.gz CGROMCBPVAJSHH-BQYQJAHWSA-N -1 0 342.373 2.011 20 5 EEBDRM O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000120172966 142381229 /nfs/dbraw/zinc/38/12/29/142381229.db2.gz QPQHPLSTWSCHMN-LBPRGKRZSA-N -1 0 341.323 2.156 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000119752098 292248232 /nfs/dbraw/zinc/24/82/32/292248232.db2.gz ZEKDRTSXUUMUPV-LBPRGKRZSA-N -1 0 348.277 2.076 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000262701663 152307822 /nfs/dbraw/zinc/30/78/22/152307822.db2.gz CJTDZKRTACPBSX-AWEZNQCLSA-N -1 0 338.316 2.448 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263008573 152356732 /nfs/dbraw/zinc/35/67/32/152356732.db2.gz HGNTXTWHKLOQEP-OAHLLOKOSA-N -1 0 337.332 2.322 20 5 EEBDRM COc1cc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)cc([N+](=O)[O-])c1C ZINC000263074273 152370411 /nfs/dbraw/zinc/37/04/11/152370411.db2.gz GIRBZPFQRUZRIR-UHFFFAOYSA-N -1 0 348.311 2.441 20 5 EEBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000356005932 153240124 /nfs/dbraw/zinc/24/01/24/153240124.db2.gz TTYPBLLRLOLFRC-UHFFFAOYSA-N -1 0 339.311 2.267 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000359422011 153354656 /nfs/dbraw/zinc/35/46/56/153354656.db2.gz YNMZXSSUIGCSTE-UHFFFAOYSA-N -1 0 331.712 2.005 20 5 EEBDRM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1n[nH]c(-c2ccccn2)n1 ZINC000125505379 292297472 /nfs/dbraw/zinc/29/74/72/292297472.db2.gz SCNFLJCCFPLGLS-UHFFFAOYSA-N -1 0 338.327 2.346 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000237676286 160223980 /nfs/dbraw/zinc/22/39/80/160223980.db2.gz SCEWKAVHGIQESL-MEBBXXQBSA-N -1 0 343.339 2.369 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])s1 ZINC000238039811 160227564 /nfs/dbraw/zinc/22/75/64/160227564.db2.gz RHSCMNUOZJPDFB-UHFFFAOYSA-N -1 0 335.341 2.196 20 5 EEBDRM COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc2c1OCCO2 ZINC000340547368 160937854 /nfs/dbraw/zinc/93/78/54/160937854.db2.gz RLNYDJMKMGXZPY-UHFFFAOYSA-N -1 0 346.295 2.333 20 5 EEBDRM CCCc1nc(=NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s[n-]1 ZINC000341948070 161026599 /nfs/dbraw/zinc/02/65/99/161026599.db2.gz RCZRSAGAPIRYOQ-UHFFFAOYSA-N -1 0 342.327 2.280 20 5 EEBDRM CCn1nc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000352014684 162028466 /nfs/dbraw/zinc/02/84/66/162028466.db2.gz RRPJJNOKVMFLAK-FPLPWBNLSA-N -1 0 327.300 2.336 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1[N+](=O)[O-] ZINC000359827203 164179342 /nfs/dbraw/zinc/17/93/42/164179342.db2.gz DDFKAASEDVWHEA-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C(N)=O ZINC000359986191 164209725 /nfs/dbraw/zinc/20/97/25/164209725.db2.gz OXHMJQYQBDZUBW-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CC(=O)N1Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2C1 ZINC000373123493 166832272 /nfs/dbraw/zinc/83/22/72/166832272.db2.gz IWDKKCVFLYWAOM-UHFFFAOYSA-N -1 0 341.323 2.415 20 5 EEBDRM Cc1n[nH]cc1C1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000375971470 167237634 /nfs/dbraw/zinc/23/76/34/167237634.db2.gz BLOXZOQPLNQAJU-UHFFFAOYSA-N -1 0 330.344 2.352 20 5 EEBDRM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272659164 269005166 /nfs/dbraw/zinc/00/51/66/269005166.db2.gz HBCLKXWPRVRBRJ-RRFJBIMHSA-N -1 0 332.356 2.378 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000275035957 269086854 /nfs/dbraw/zinc/08/68/54/269086854.db2.gz JGHIYRDYNAMSCD-BMIGLBTASA-N -1 0 338.385 2.085 20 5 EEBDRM O=C(Nc1ccc(-n2ccnn2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181962659 274010061 /nfs/dbraw/zinc/01/00/61/274010061.db2.gz SVTRWYSXONBADL-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000290844418 275245607 /nfs/dbraw/zinc/24/56/07/275245607.db2.gz HNRCOBKDSNKBKP-QAPCUYQASA-N -1 0 342.351 2.196 20 5 EEBDRM CCn1nc(C)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000293563567 293240061 /nfs/dbraw/zinc/24/00/61/293240061.db2.gz UYVVRUNOBCLTGP-UHFFFAOYSA-N -1 0 325.712 2.126 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC)CCC(=O)[O-] ZINC000297183755 294174201 /nfs/dbraw/zinc/17/42/01/294174201.db2.gz LJYPWFMWLLXOEB-LLVKDONJSA-N -1 0 344.389 2.079 20 5 EEBDRM NC(=O)CCN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339020570 295039717 /nfs/dbraw/zinc/03/97/17/295039717.db2.gz HRHIQUPLMMAXCR-UHFFFAOYSA-N -1 0 329.356 2.178 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000263254191 300408211 /nfs/dbraw/zinc/40/82/11/300408211.db2.gz TXUFROOHRXRZQE-JGVFFNPUSA-N -1 0 344.165 2.299 20 5 EEBDRM Cn1cnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2)n1 ZINC000120754937 303012645 /nfs/dbraw/zinc/01/26/45/303012645.db2.gz DPUGFAAJQCXZNM-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM CC(C)n1ncc2c1C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC2 ZINC000332646052 312039851 /nfs/dbraw/zinc/03/98/51/312039851.db2.gz MJVULUPFANFYKH-ZDUSSCGKSA-N -1 0 344.371 2.365 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@]3(CCCOC3)C2)cc([N+](=O)[O-])c1 ZINC000432107975 314679226 /nfs/dbraw/zinc/67/92/26/314679226.db2.gz NYCAPIPTNNJYLX-KRWDZBQOSA-N -1 0 348.355 2.326 20 5 EEBDRM COC(=O)c1ccc(O)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436503562 314968935 /nfs/dbraw/zinc/96/89/35/314968935.db2.gz IAHVKAWMTITJCI-UHFFFAOYSA-N -1 0 332.268 2.045 20 5 EEBDRM O=C(Nc1ccccc1Cn1cncn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436628367 314981216 /nfs/dbraw/zinc/98/12/16/314981216.db2.gz PPACCCZTUFMYKC-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CC(=O)c1ccc([O-])c(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000436868304 315007981 /nfs/dbraw/zinc/00/79/81/315007981.db2.gz HAPHIYDKAGWGAO-UHFFFAOYSA-N -1 0 346.343 2.345 20 5 EEBDRM CCOC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436962943 315017059 /nfs/dbraw/zinc/01/70/59/315017059.db2.gz GABRXJPIVFHPSZ-UHFFFAOYSA-N -1 0 344.323 2.407 20 5 EEBDRM COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000436967260 315017403 /nfs/dbraw/zinc/01/74/03/315017403.db2.gz QAOSTLYSOYWANG-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(OC)c1 ZINC000444377903 315297521 /nfs/dbraw/zinc/29/75/21/315297521.db2.gz ZFMWVBUOJCIWDT-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540785004 318077878 /nfs/dbraw/zinc/07/78/78/318077878.db2.gz RVMOJXYIFMQKCM-UHFFFAOYSA-N -1 0 330.296 2.102 20 5 EEBDRM COC(=O)CC1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCCC1 ZINC000543590930 318163005 /nfs/dbraw/zinc/16/30/05/318163005.db2.gz ZYSVLBLSIINRLD-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000548129845 318358047 /nfs/dbraw/zinc/35/80/47/318358047.db2.gz VNMQUBAUHHXQAF-GFCCVEGCSA-N -1 0 348.277 2.076 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548217768 318365768 /nfs/dbraw/zinc/36/57/68/318365768.db2.gz VXBIBGDHHGETCA-JTQLQIEISA-N -1 0 344.389 2.071 20 5 EEBDRM CCCN(CC1CC1)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565060787 319145002 /nfs/dbraw/zinc/14/50/02/319145002.db2.gz MWIOZAVHEMXMDK-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM CO[C@H]([C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000567738627 319413552 /nfs/dbraw/zinc/41/35/52/319413552.db2.gz TVLFZCDCRIOXBI-FUXBKTLASA-N -1 0 328.752 2.497 20 5 EEBDRM COc1cccc2c1C[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000567978997 319440872 /nfs/dbraw/zinc/44/08/72/319440872.db2.gz ZKFFNJYDPLDEEO-JTQLQIEISA-N -1 0 329.312 2.276 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000576691623 320195512 /nfs/dbraw/zinc/19/55/12/320195512.db2.gz SZOCRMMCHNWZAD-NSHDSACASA-N -1 0 337.332 2.463 20 5 EEBDRM Cc1cc(N(C)CCN(C)CC(F)F)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000577400563 320253939 /nfs/dbraw/zinc/25/39/39/320253939.db2.gz ZJDXXSCPHXQOAZ-UHFFFAOYSA-N -1 0 331.319 2.235 20 5 EEBDRM CN(CCOCc1ccccc1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000383699924 323527471 /nfs/dbraw/zinc/52/74/71/323527471.db2.gz NEYCYHPPWNFXNR-UHFFFAOYSA-N -1 0 331.328 2.341 20 5 EEBDRM CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H](COC)C(=O)[O-] ZINC000579789505 323925414 /nfs/dbraw/zinc/92/54/14/323925414.db2.gz SUOGFLGKJUFHIY-LBPRGKRZSA-N -1 0 343.311 2.077 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C)[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000582961856 324565596 /nfs/dbraw/zinc/56/55/96/324565596.db2.gz DPOPVYPVDPAJCU-SNVBAGLBSA-N -1 0 344.389 2.266 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000583027676 324578072 /nfs/dbraw/zinc/57/80/72/324578072.db2.gz YXLMUZGLPRYSJT-AWEZNQCLSA-N -1 0 329.312 2.266 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)/C=C\C(C)(C)C ZINC000255137981 465026882 /nfs/dbraw/zinc/02/68/82/465026882.db2.gz SDXCPQQRDPPMBE-FPLPWBNLSA-N -1 0 326.374 2.310 20 5 EEBDRM COc1cc(C(=O)NCCc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000336887586 465083417 /nfs/dbraw/zinc/08/34/17/465083417.db2.gz ILWGXLSCYOBVQG-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM Cc1nc2ccccc2n1CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356316593 465308650 /nfs/dbraw/zinc/30/86/50/465308650.db2.gz UIGVLLSIPRTDOW-UHFFFAOYSA-N -1 0 340.339 2.389 20 5 EEBDRM CO[C@H]1CCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578893131 468275772 /nfs/dbraw/zinc/27/57/72/468275772.db2.gz AUXJBCHHWCCAFE-UFBFGSQYSA-N -1 0 328.752 2.499 20 5 EEBDRM O=C(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)Nc1ccc(Cl)cc1 ZINC000065125670 462738073 /nfs/dbraw/zinc/73/80/73/462738073.db2.gz PHIWJHXITQCNII-UHFFFAOYSA-N -1 0 349.730 2.322 20 5 EEBDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000014371516 462925253 /nfs/dbraw/zinc/92/52/53/462925253.db2.gz UJIGWGBFZIOVIJ-UHFFFAOYSA-N -1 0 344.352 2.165 20 5 EEBDRM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000092472060 462954985 /nfs/dbraw/zinc/95/49/85/462954985.db2.gz FTCISCAIMYZMBM-KRWDZBQOSA-N -1 0 346.383 2.310 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000158820877 463253864 /nfs/dbraw/zinc/25/38/64/463253864.db2.gz PODZPIQICOYJIW-NSHDSACASA-N -1 0 345.359 2.280 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000069709638 463309740 /nfs/dbraw/zinc/30/97/40/463309740.db2.gz RQGOSDAQQNRAHR-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM Cc1c(Br)c(N(C)C[C@H](C)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000165661953 463645706 /nfs/dbraw/zinc/64/57/06/463645706.db2.gz URBGIECMQRBIKM-LURJTMIESA-N -1 0 332.154 2.218 20 5 EEBDRM O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000269155656 463891981 /nfs/dbraw/zinc/89/19/81/463891981.db2.gz RNETXECMXXZQLN-NHYWBVRUSA-N -1 0 338.385 2.085 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000194739703 463919953 /nfs/dbraw/zinc/91/99/53/463919953.db2.gz ZMEYBMJAZQDGKC-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000263282839 464077711 /nfs/dbraw/zinc/07/77/11/464077711.db2.gz XOWWGOMVDOVTQA-KOLCDFICSA-N -1 0 336.344 2.237 20 5 EEBDRM CCO[C@@H](CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(C)C ZINC000263573850 464133115 /nfs/dbraw/zinc/13/31/15/464133115.db2.gz MYNAAQSLYQSKPZ-AWEZNQCLSA-N -1 0 338.360 2.474 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236969226 464247075 /nfs/dbraw/zinc/24/70/75/464247075.db2.gz NJGAXACFIMUFGU-LKFCYVNXSA-N -1 0 335.360 2.398 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000237584492 464343695 /nfs/dbraw/zinc/34/36/95/464343695.db2.gz GMSDIPRIGHODQU-SWHYSGLUSA-N -1 0 333.344 2.156 20 5 EEBDRM CC(C)(C)C1=N/C(=C/c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C(=O)O1 ZINC000264593245 464387114 /nfs/dbraw/zinc/38/71/14/464387114.db2.gz XTHBMOKJIZTLAL-UXBLZVDNSA-N -1 0 348.311 2.401 20 5 EEBDRM Cc1ccc([C@@H]2COCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC000272581571 464668831 /nfs/dbraw/zinc/66/88/31/464668831.db2.gz UJRLKEQRRKAWNK-AWEZNQCLSA-N -1 0 332.312 2.416 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]OC[C@@H]1CCOC1 ZINC000276215659 464849934 /nfs/dbraw/zinc/84/99/34/464849934.db2.gz BKUCRYWJPWXZKY-WDEREUQCSA-N -1 0 326.374 2.160 20 5 EEBDRM Cc1noc(C)c1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000282778033 464944813 /nfs/dbraw/zinc/94/48/13/464944813.db2.gz WSYCQUFTWFGLRZ-UHFFFAOYSA-N -1 0 329.309 2.448 20 5 EEBDRM Cc1nc2ccccc2n1CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184603483 465006813 /nfs/dbraw/zinc/00/68/13/465006813.db2.gz PJBCJMSEOQEHJW-UHFFFAOYSA-N -1 0 340.339 2.389 20 5 EEBDRM C[C@H]1Cc2ccccc2N1CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356454572 465392004 /nfs/dbraw/zinc/39/20/04/465392004.db2.gz DEWIQKLIQQLPRY-LBPRGKRZSA-N -1 0 341.367 2.481 20 5 EEBDRM O=C(Nc1cc(CSCCO)ccn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356772731 465531553 /nfs/dbraw/zinc/53/15/53/465531553.db2.gz NJVGYLJTGLXISU-UHFFFAOYSA-N -1 0 349.368 2.173 20 5 EEBDRM CC[C@@](NC(=O)c1ccc([N+](=O)[O-])cn1)(C(=O)[O-])c1ccccc1 ZINC000569182244 468450370 /nfs/dbraw/zinc/45/03/70/468450370.db2.gz WRTHULBNHOJZKP-INIZCTEOSA-N -1 0 329.312 2.110 20 5 EEBDRM Cc1ccc(C(=O)NCc2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000362809352 466044762 /nfs/dbraw/zinc/04/47/62/466044762.db2.gz QMBOUHHCYIDRFY-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1nn(-c2ccccc2)cc1[N-]c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357454083 466050748 /nfs/dbraw/zinc/05/07/48/466050748.db2.gz NYLRBLUGLXCMEJ-UHFFFAOYSA-N -1 0 338.327 2.326 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1[N+](=O)[O-] ZINC000320639198 466611193 /nfs/dbraw/zinc/61/11/93/466611193.db2.gz GVZJURRHQIPCRE-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)Cc2ccccc21 ZINC000321347088 466621430 /nfs/dbraw/zinc/62/14/30/466621430.db2.gz ROZVTUFRAOTLFR-LLVKDONJSA-N -1 0 332.337 2.481 20 5 EEBDRM O=C(NCCOc1cncc(Cl)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436557767 467545207 /nfs/dbraw/zinc/54/52/07/467545207.db2.gz VMAXQFAHROJEBU-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM Cc1nn(C)c2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])ccc12 ZINC000436700975 467550951 /nfs/dbraw/zinc/55/09/51/467550951.db2.gz BFOCMTJLYCCTFY-UHFFFAOYSA-N -1 0 327.300 2.143 20 5 EEBDRM O=C(NCCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000436772895 467554145 /nfs/dbraw/zinc/55/41/45/467554145.db2.gz HAHMAMWYWCUQRO-UHFFFAOYSA-N -1 0 326.312 2.080 20 5 EEBDRM CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H](CC)CN1C(C)=O ZINC000436791449 467554594 /nfs/dbraw/zinc/55/45/94/467554594.db2.gz JNYMUNRIIJAACW-STQMWFEESA-N -1 0 349.387 2.162 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1noc(C(F)F)n1 ZINC000591784681 468522149 /nfs/dbraw/zinc/52/21/49/468522149.db2.gz VDYDVSPRRSXRRQ-RXMQYKEDSA-N -1 0 328.231 2.112 20 5 EEBDRM C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCCO1 ZINC000569726523 468534754 /nfs/dbraw/zinc/53/47/54/468534754.db2.gz BGEHIZSMUCPCKE-GFCCVEGCSA-N -1 0 337.376 2.206 20 5 EEBDRM COc1cccc([C@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])OC)c1 ZINC000600678051 468618891 /nfs/dbraw/zinc/61/88/91/468618891.db2.gz KCVUTHNXRAFQJZ-ZDUSSCGKSA-N -1 0 347.327 2.496 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@H]([C@@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000594735636 468668197 /nfs/dbraw/zinc/66/81/97/468668197.db2.gz LXJCSTDNHIFINB-FZMZJTMJSA-N -1 0 335.360 2.474 20 5 EEBDRM C[C@H]1C[C@H](CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000600871726 468672191 /nfs/dbraw/zinc/67/21/91/468672191.db2.gz IJJPGJCKPGBWOA-WDEREUQCSA-N -1 0 336.344 2.228 20 5 EEBDRM CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC000595283870 468800228 /nfs/dbraw/zinc/80/02/28/468800228.db2.gz YWAOAUHXMWAECT-NSHDSACASA-N -1 0 335.360 2.130 20 5 EEBDRM Cc1cc(NCCN2CCOCC2(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584116378 468803389 /nfs/dbraw/zinc/80/33/89/468803389.db2.gz VSFPEQWUFCLNKT-UHFFFAOYSA-N -1 0 337.376 2.124 20 5 EEBDRM Cc1noc(CN(C)Cc2nc(=O)c3sccc3[n-]2)c1[N+](=O)[O-] ZINC000595438223 468852734 /nfs/dbraw/zinc/85/27/34/468852734.db2.gz DEMVGIVUDJWFLT-UHFFFAOYSA-N -1 0 335.345 2.234 20 5 EEBDRM CN(Cc1n[n-]c(=O)o1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000595547861 468897650 /nfs/dbraw/zinc/89/76/50/468897650.db2.gz XOHALEAERQFMHV-UHFFFAOYSA-N -1 0 332.238 2.334 20 5 EEBDRM O=C([O-])CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000598657260 468948451 /nfs/dbraw/zinc/94/84/51/468948451.db2.gz CJBWZIQFGBEUHU-UHFFFAOYSA-N -1 0 345.355 2.405 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@H](c3ccco3)C2)c1 ZINC000593740340 469119177 /nfs/dbraw/zinc/11/91/77/469119177.db2.gz UWXITOJIZAKNFE-HNNXBMFYSA-N -1 0 332.312 2.460 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@@]2(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000596092361 469152359 /nfs/dbraw/zinc/15/23/59/469152359.db2.gz UUVGZUBSTNKIMC-AWEZNQCLSA-N -1 0 342.373 2.068 20 5 EEBDRM Cn1cc([C@@H]2N(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000588870098 469174328 /nfs/dbraw/zinc/17/43/28/469174328.db2.gz GAFLCZRBVKCGJH-AWEZNQCLSA-N -1 0 330.344 2.257 20 5 EEBDRM COc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000611278331 469218019 /nfs/dbraw/zinc/21/80/19/469218019.db2.gz LZDOXTAPZSZMBS-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000611535408 469274265 /nfs/dbraw/zinc/27/42/65/469274265.db2.gz MLGYPLUOBSXZSZ-WRWORJQWSA-N -1 0 334.250 2.092 20 5 EEBDRM CCC(CC)(CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC000424380667 534988755 /nfs/dbraw/zinc/98/87/55/534988755.db2.gz XIFHLCDSQADDTA-UHFFFAOYSA-N -1 0 325.321 2.079 20 5 EEBDRM CC(C)[C@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000262766928 535247785 /nfs/dbraw/zinc/24/77/85/535247785.db2.gz KYBSBEXAUANABP-GXTWGEPZSA-N -1 0 336.344 2.226 20 5 EEBDRM COc1cccc(OCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000738109922 577999755 /nfs/dbraw/zinc/99/97/55/577999755.db2.gz WMCLPOBYNZCUNV-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM Cc1ccccc1[C@H](O)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738318900 578009217 /nfs/dbraw/zinc/00/92/17/578009217.db2.gz BCCHSSVRJXNHED-OAHLLOKOSA-N -1 0 344.323 2.065 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738478134 578016583 /nfs/dbraw/zinc/01/65/83/578016583.db2.gz BMEGMUCYEXVDAH-CYBMUJFWSA-N -1 0 347.371 2.028 20 5 EEBDRM Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)[O-])[nH]1 ZINC000738448158 578015606 /nfs/dbraw/zinc/01/56/06/578015606.db2.gz ATSZQAOJJSFAAD-UHFFFAOYSA-N -1 0 334.244 2.090 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737964905 575972759 /nfs/dbraw/zinc/97/27/59/575972759.db2.gz QEKWWZIJEHPTII-CQSZACIVSA-N -1 0 330.296 2.159 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC000737663098 576301906 /nfs/dbraw/zinc/30/19/06/576301906.db2.gz BHJDSFQASSZCSX-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM COC(=O)c1cccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000737710068 576521628 /nfs/dbraw/zinc/52/16/28/576521628.db2.gz VFEMMXUXDBIZJU-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM Cc1cccc(C(=O)Nc2nnc(CCC(=O)[O-])s2)c1[N+](=O)[O-] ZINC000738691554 577109288 /nfs/dbraw/zinc/10/92/88/577109288.db2.gz DJPYHBSBTIUDDW-UHFFFAOYSA-N -1 0 336.329 2.024 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000732904934 577196841 /nfs/dbraw/zinc/19/68/41/577196841.db2.gz MNQUFTDZMMIMSF-SNVBAGLBSA-N -1 0 344.389 2.099 20 5 EEBDRM CN(CC(F)F)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000773197806 577322337 /nfs/dbraw/zinc/32/23/37/577322337.db2.gz AZAJQMABGNWVIN-UHFFFAOYSA-N -1 0 343.330 2.102 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccoc1Cl ZINC000774094277 577382940 /nfs/dbraw/zinc/38/29/40/577382940.db2.gz JOJNODLFYUYWHS-UHFFFAOYSA-N -1 0 336.734 2.021 20 5 EEBDRM Cc1cc(F)cc(C(=O)[N-]N2CCc3ccccc3C2=O)c1[N+](=O)[O-] ZINC000762649219 577705225 /nfs/dbraw/zinc/70/52/25/577705225.db2.gz QVVIYHQONOHDNH-UHFFFAOYSA-N -1 0 343.314 2.386 20 5 EEBDRM O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1cccc([N+](=O)[O-])c1[O-] ZINC000763224837 577717202 /nfs/dbraw/zinc/71/72/02/577717202.db2.gz PUMOQYJJJAHOSD-XWIASGKRSA-N -1 0 340.426 2.410 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000750083418 577986824 /nfs/dbraw/zinc/98/68/24/577986824.db2.gz VQOVHOQTHCWNEG-MADCSZMMSA-N -1 0 339.304 2.041 20 5 EEBDRM Cc1cccc(N(CC(=O)[O-])C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000738720534 578024819 /nfs/dbraw/zinc/02/48/19/578024819.db2.gz QZLPWVCSROWJPX-YFHOEESVSA-N -1 0 341.323 2.429 20 5 EEBDRM O=C([O-])COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000739833206 578069308 /nfs/dbraw/zinc/06/93/08/578069308.db2.gz NVWHNXFPXPLGRL-UHFFFAOYSA-N -1 0 348.286 2.127 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2Cc3ccccc3O2)cc([N+](=O)[O-])c1 ZINC000740082467 578080189 /nfs/dbraw/zinc/08/01/89/578080189.db2.gz YWOZLIUTOCRPKW-AWEZNQCLSA-N -1 0 328.280 2.235 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC000740089467 578080426 /nfs/dbraw/zinc/08/04/26/578080426.db2.gz XWVQKAQKDTVEGE-UHFFFAOYSA-N -1 0 331.240 2.454 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H]1CCCC[C@@H]1O ZINC000740096630 578080666 /nfs/dbraw/zinc/08/06/66/578080666.db2.gz NYAUUWLEAHKUOB-PELKAZGASA-N -1 0 339.304 2.164 20 5 EEBDRM CC(C)C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736428495 578203355 /nfs/dbraw/zinc/20/33/55/578203355.db2.gz XQKIRBUEJVYLGA-AWEZNQCLSA-N -1 0 347.327 2.437 20 5 EEBDRM CC(C)N1C[C@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000736474411 578206599 /nfs/dbraw/zinc/20/65/99/578206599.db2.gz MDCKBYZZPZBSII-MRVPVSSYSA-N -1 0 341.751 2.368 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCCC(C)(C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657463 578216856 /nfs/dbraw/zinc/21/68/56/578216856.db2.gz SGEZSAOQZFKKFZ-LLVKDONJSA-N -1 0 349.387 2.424 20 5 EEBDRM CCC1=C(C(=O)[O-])[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=S)N1 ZINC000736932219 578229849 /nfs/dbraw/zinc/22/98/49/578229849.db2.gz NLLCSEAWGIFBBQ-NSHDSACASA-N -1 0 343.311 2.141 20 5 EEBDRM CCO[C@@H](C)c1noc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC000737156095 578241424 /nfs/dbraw/zinc/24/14/24/578241424.db2.gz CFJVURQKFYLOBG-QMMMGPOBSA-N -1 0 337.288 2.353 20 5 EEBDRM CCc1ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000737268214 578247204 /nfs/dbraw/zinc/24/72/04/578247204.db2.gz WFEGGHBBWBBADY-LBPRGKRZSA-N -1 0 338.360 2.152 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013171141 600014837 /nfs/dbraw/zinc/01/48/37/600014837.db2.gz RQUBRQNIANTVLT-GHMZBOCLSA-N -1 0 338.385 2.399 20 5 EEBDRM CC[C@@H](NC(=O)NCCSCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000828951764 601334262 /nfs/dbraw/zinc/33/42/62/601334262.db2.gz QZYYBBNGZUSOIH-GFCCVEGCSA-N -1 0 341.389 2.163 20 5 EEBDRM CCCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000829347970 601405046 /nfs/dbraw/zinc/40/50/46/601405046.db2.gz NNIYHYWUNOUDOB-LBPRGKRZSA-N -1 0 344.389 2.215 20 5 EEBDRM CC(C)[C@H]1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000827702899 601561692 /nfs/dbraw/zinc/56/16/92/601561692.db2.gz CECHVYVBDIZPFZ-YPMHNXCESA-N -1 0 349.387 2.280 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000833009386 601719595 /nfs/dbraw/zinc/71/95/95/601719595.db2.gz KDFNFGUDSVPTFP-UHFFFAOYSA-N -1 0 334.259 2.493 20 5 EEBDRM O=C([O-])C1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000263217274 601760553 /nfs/dbraw/zinc/76/05/53/601760553.db2.gz JUEWLJBPFOQTDH-UHFFFAOYSA-N -1 0 341.751 2.254 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@@H]2CCCn3ncnc32)c([N+](=O)[O-])c1 ZINC000833195322 601787014 /nfs/dbraw/zinc/78/70/14/601787014.db2.gz FMDWIPDIZZIZMI-FVOPLDGLSA-N -1 0 329.316 2.231 20 5 EEBDRM Cc1n[nH]c(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC000832847856 604389126 /nfs/dbraw/zinc/38/91/26/604389126.db2.gz ZEAPCCGPICOWPE-ZDUSSCGKSA-N -1 0 346.343 2.208 20 5 EEBDRM CC(C)C(=O)NCCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000833467330 604635232 /nfs/dbraw/zinc/63/52/32/604635232.db2.gz OHYJLVHXAGLFOS-FNORWQNLSA-N -1 0 335.360 2.267 20 5 EEBDRM C[C@@H](NC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000833522683 605048635 /nfs/dbraw/zinc/04/86/35/605048635.db2.gz PYQAPDFSDHHBJY-MNOVXSKESA-N -1 0 336.348 2.097 20 5 EEBDRM CC(=CC(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000833382690 605336923 /nfs/dbraw/zinc/33/69/23/605336923.db2.gz PNPZDDMKWQKUCU-RMKNXTFCSA-N -1 0 343.295 2.436 20 5 EEBDRM CC[C@@H](C)n1nc([N-]c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1C ZINC000825082389 608586854 /nfs/dbraw/zinc/58/68/54/608586854.db2.gz SSPKZVUXCIYTIS-MRVPVSSYSA-N -1 0 343.351 2.389 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000262104209 683709941 /nfs/dbraw/zinc/70/99/41/683709941.db2.gz CSXATWGORQTXPI-ZANVPECISA-N -1 0 338.385 2.445 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000262755677 688352855 /nfs/dbraw/zinc/35/28/55/688352855.db2.gz DGAAJDQTCXXGAR-LLVKDONJSA-N -1 0 333.344 2.261 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000263326323 689678887 /nfs/dbraw/zinc/67/88/87/689678887.db2.gz KPTMVFLYISTLAP-RKDXNWHRSA-N -1 0 326.736 2.431 20 5 EEBDRM COc1cccc(N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000866283935 1201483202 /nfs/dbraw/zinc/48/32/02/1201483202.db2.gz GPHZVSQNDNQRLO-CYBMUJFWSA-N -1 0 347.293 2.251 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](C)CCCC(C)C)c1[N+](=O)[O-] ZINC001226650424 1301494671 /nfs/dbraw/zinc/49/46/71/1301494671.db2.gz XZTVGRFJRCAWBE-SECBINFHSA-N -1 0 327.337 2.471 20 5 EEBDRM CC(=O)N1CCC[C@@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1 ZINC001228860631 1302488841 /nfs/dbraw/zinc/48/88/41/1302488841.db2.gz WQDJIYUZQCYLOV-MRVPVSSYSA-N -1 0 349.265 2.104 20 5 EEBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CCCC3(C2)OCCO3)cc1[O-] ZINC001231227849 1303691432 /nfs/dbraw/zinc/69/14/32/1303691432.db2.gz NXHKLAOHTTTYQE-SECBINFHSA-N -1 0 340.288 2.273 20 5 EEBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[n-]1 ZINC001231260006 1303707652 /nfs/dbraw/zinc/70/76/52/1303707652.db2.gz QQFAXBBNOYSTAA-LBPRGKRZSA-N -1 0 331.284 2.458 20 5 EEBDRM CCCCC[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000797710942 1304809558 /nfs/dbraw/zinc/80/95/58/1304809558.db2.gz BJPOJRUABAHNIB-AWEZNQCLSA-N -1 0 337.376 2.470 20 5 EEBDRM CCCCC[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000797727295 1304815417 /nfs/dbraw/zinc/81/54/17/1304815417.db2.gz KYQSYMJXICYPNH-CYBMUJFWSA-N -1 0 337.376 2.470 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000835028048 1314894171 /nfs/dbraw/zinc/89/41/71/1314894171.db2.gz ITMLVOSEKSSIRJ-IJLUTSLNSA-N -1 0 340.401 2.472 20 5 EEBDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835464009 1314921737 /nfs/dbraw/zinc/92/17/37/1314921737.db2.gz DJLWXGBDNXUGSU-CYBMUJFWSA-N -1 0 342.417 2.419 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC2(CCC2)C1 ZINC000842737844 1315765155 /nfs/dbraw/zinc/76/51/55/1315765155.db2.gz UBDNFOMUAIWKBY-UHFFFAOYSA-N -1 0 342.348 2.119 20 5 EEBDRM CCc1[nH]nc(C(=O)[N-]c2nnc(-c3ccncc3)s2)c1[N+](=O)[O-] ZINC001255909193 1318564600 /nfs/dbraw/zinc/56/46/00/1318564600.db2.gz NTQWTMFNKXYDDH-UHFFFAOYSA-N -1 0 345.344 2.046 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H](O)CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001601768058 1350359259 /nfs/dbraw/zinc/35/92/59/1350359259.db2.gz GWTBTMCAZBUPEC-PSASIEDQSA-N -1 0 349.170 2.169 20 5 EEBDRM O=C([O-])c1ccc(OCc2nncn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC001602392351 1350509672 /nfs/dbraw/zinc/50/96/72/1350509672.db2.gz CFWLRUSKSFGYLC-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM CC(C)(NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nocc1C(=O)[O-] ZINC001603671269 1350739050 /nfs/dbraw/zinc/73/90/50/1350739050.db2.gz AQFYVAWWXUUITN-UHFFFAOYSA-N -1 0 347.327 2.265 20 5 EEBDRM O=C([O-])CN(CCC(F)(F)F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001608745023 1351754927 /nfs/dbraw/zinc/75/49/27/1351754927.db2.gz LMOPGXNMIQPEJT-UHFFFAOYSA-N -1 0 334.250 2.003 20 5 EEBDRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001608801934 1351766929 /nfs/dbraw/zinc/76/69/29/1351766929.db2.gz LBOYOFBLZYREAX-VIFPVBQESA-N -1 0 334.662 2.183 20 5 EEBDRM O=C([O-])c1ccc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)nc1 ZINC001608869722 1351782063 /nfs/dbraw/zinc/78/20/63/1351782063.db2.gz ZLNWVWNEAMDDJV-UHFFFAOYSA-N -1 0 342.267 2.317 20 5 EEBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC001318447916 1332537850 /nfs/dbraw/zinc/53/78/50/1332537850.db2.gz FKLQRVOQAFYOLX-UHFFFAOYSA-N -1 0 342.354 2.028 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC(CO)(c3ccccc3)C2)c1 ZINC001608914741 1351792945 /nfs/dbraw/zinc/79/29/45/1351792945.db2.gz HQMISOMZQOSZQC-UHFFFAOYSA-N -1 0 328.324 2.043 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCC3(CCOCC3)O2)c1 ZINC001608915356 1351793495 /nfs/dbraw/zinc/79/34/95/1351793495.db2.gz QVJZMNDRIUXESI-GFCCVEGCSA-N -1 0 336.344 2.433 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CCN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC001608921105 1351794978 /nfs/dbraw/zinc/79/49/78/1351794978.db2.gz CTGCCXINHIALQB-UHFFFAOYSA-N -1 0 326.308 2.492 20 5 EEBDRM O=C([O-])c1cccc(COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)n1 ZINC001608931569 1351797128 /nfs/dbraw/zinc/79/71/28/1351797128.db2.gz FBMMEMIHRKXSCV-UHFFFAOYSA-N -1 0 338.222 2.323 20 5 EEBDRM O=C([O-])c1ccnc(NCc2cccc3c2CCOC3)c1[N+](=O)[O-] ZINC001608953569 1351802279 /nfs/dbraw/zinc/80/22/79/1351802279.db2.gz FMCQPXFFUCISFF-UHFFFAOYSA-N -1 0 329.312 2.373 20 5 EEBDRM O=C(NC1CCC(O)(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001320381441 1332871451 /nfs/dbraw/zinc/87/14/51/1332871451.db2.gz QDEYPJJHOQYVIJ-UHFFFAOYSA-N -1 0 348.277 2.266 20 5 EEBDRM O=C(/C=C\c1ccsc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001330815224 1334908276 /nfs/dbraw/zinc/90/82/76/1334908276.db2.gz KDTQAVVQUIJIJN-PLNGDYQASA-N -1 0 338.366 2.175 20 5 EEBDRM CC(=O)NCC[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001609621573 1352043497 /nfs/dbraw/zinc/04/34/97/1352043497.db2.gz PDPFWRNZHRKBIN-ZDUSSCGKSA-N -1 0 349.387 2.344 20 5 EEBDRM CN(CC(F)(F)F)c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C ZINC001339090283 1336957410 /nfs/dbraw/zinc/95/74/10/1336957410.db2.gz ZKMPGESCAIRHAH-UHFFFAOYSA-N -1 0 331.254 2.094 20 5 EEBDRM CSC[C@H]1CCCN1c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001339916072 1337095884 /nfs/dbraw/zinc/09/58/84/1337095884.db2.gz IAUPRYVOGQWJKR-LLVKDONJSA-N -1 0 349.416 2.428 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001609925207 1352121292 /nfs/dbraw/zinc/12/12/92/1352121292.db2.gz PETXEWBVHIMZMR-KYOSRNDESA-N -1 0 334.372 2.485 20 5 EEBDRM C[C@@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892945 1338366868 /nfs/dbraw/zinc/36/68/68/1338366868.db2.gz MDYIIASCUCHYOH-JTQLQIEISA-N -1 0 343.405 2.257 20 5 EEBDRM C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892877 1338366928 /nfs/dbraw/zinc/36/69/28/1338366928.db2.gz JGOLISLMEOBUSK-JTQLQIEISA-N -1 0 341.389 2.011 20 5 EEBDRM CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CCC(F)(F)C1 ZINC001356349400 1338818099 /nfs/dbraw/zinc/81/80/99/1338818099.db2.gz RKNIOCSMEBVYDI-UHFFFAOYSA-N -1 0 339.302 2.424 20 5 EEBDRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)cc1[N+](=O)[O-] ZINC001610484410 1352230645 /nfs/dbraw/zinc/23/06/45/1352230645.db2.gz YTNXZKTZRJFKSI-CQSZACIVSA-N -1 0 330.296 2.165 20 5 EEBDRM O=C([O-])c1occc1COC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001610658483 1352258166 /nfs/dbraw/zinc/25/81/66/1352258166.db2.gz INJXMSRDKMBZJE-UHFFFAOYSA-N -1 0 335.268 2.398 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001610671652 1352259310 /nfs/dbraw/zinc/25/93/10/1352259310.db2.gz QWUQNWGPNOKGED-HNNXBMFYSA-N -1 0 331.280 2.343 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001610748753 1352268097 /nfs/dbraw/zinc/26/80/97/1352268097.db2.gz MGVWZOZEZRBVJP-SECBINFHSA-N -1 0 341.414 2.041 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccn(CC(F)F)n2)cc([N+](=O)[O-])c1 ZINC001610813645 1352279159 /nfs/dbraw/zinc/27/91/59/1352279159.db2.gz OYRYEEXRRDGASU-UHFFFAOYSA-N -1 0 340.242 2.007 20 5 EEBDRM O=C([O-])c1coc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001610871148 1352288411 /nfs/dbraw/zinc/28/84/11/1352288411.db2.gz VGXKLKRFWROFSH-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001600020352 1349956927 /nfs/dbraw/zinc/95/69/27/1349956927.db2.gz AUJJVKPPRGUPPB-CYBMUJFWSA-N -1 0 346.314 2.468 20 5 EEBDRM Cc1c(NC(=O)c2cnn(CC3CC3)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600049095 1349962268 /nfs/dbraw/zinc/96/22/68/1349962268.db2.gz LCYOYDBZDGZBMH-UHFFFAOYSA-N -1 0 344.327 2.460 20 5 EEBDRM Cc1c(NC(=O)c2nn(C)cc2Cl)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600049691 1349962278 /nfs/dbraw/zinc/96/22/78/1349962278.db2.gz VMUPTODQHLKSND-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CCCN2CC(F)F)n1 ZINC001600107203 1349972729 /nfs/dbraw/zinc/97/27/29/1349972729.db2.gz RNOACNLSVRDZGW-VIFPVBQESA-N -1 0 344.318 2.138 20 5 EEBDRM Cc1cc(C)c(C(=O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)c(C)c1 ZINC001600146279 1349979778 /nfs/dbraw/zinc/97/97/78/1349979778.db2.gz CREIEYBXGFGJIE-UHFFFAOYSA-N -1 0 344.323 2.263 20 5 EEBDRM Cc1cc(C)nc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001600181044 1349987158 /nfs/dbraw/zinc/98/71/58/1349987158.db2.gz KYVHBJYENFQFEG-QGZVFWFLSA-N -1 0 343.339 2.336 20 5 EEBDRM Cc1cc(N2CC[C@@H](Nc3ncccn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600238951 1349999102 /nfs/dbraw/zinc/99/91/02/1349999102.db2.gz MJKZWMICRGAFTH-LLVKDONJSA-N -1 0 343.343 2.082 20 5 EEBDRM Cc1cc(N[C@H]2CCN(C3CCC3)C2=O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600278535 1350009683 /nfs/dbraw/zinc/00/96/83/1350009683.db2.gz UJVAVJSEBDQLSD-ZDUSSCGKSA-N -1 0 333.344 2.167 20 5 EEBDRM Cc1cc(OS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(=O)[O-])s1 ZINC001600292092 1350012544 /nfs/dbraw/zinc/01/25/44/1350012544.db2.gz PGKWSZKGNYMIAK-UHFFFAOYSA-N -1 0 349.367 2.492 20 5 EEBDRM Cc1c(NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cnn1CC(=O)[O-] ZINC001600486778 1350063463 /nfs/dbraw/zinc/06/34/63/1350063463.db2.gz DKSWMCKONYJVJJ-UHFFFAOYSA-N -1 0 347.331 2.445 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1cccc(C(=O)[O-])c1 ZINC001600555281 1350081735 /nfs/dbraw/zinc/08/17/35/1350081735.db2.gz OEVCKQOGPLLLCC-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1cn2c(n1)CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)CC2 ZINC001600613423 1350097679 /nfs/dbraw/zinc/09/76/79/1350097679.db2.gz HMJFKUIPEDBVPM-UHFFFAOYSA-N -1 0 336.735 2.472 20 5 EEBDRM Cc1nc(N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)ncc1[N+](=O)[O-] ZINC001600710183 1350119539 /nfs/dbraw/zinc/11/95/39/1350119539.db2.gz NFTRDTSHDBDJLK-VIFPVBQESA-N -1 0 349.372 2.232 20 5 EEBDRM Cn1c(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC001600901406 1350163211 /nfs/dbraw/zinc/16/32/11/1350163211.db2.gz FMVMGAYKDXGZKO-UHFFFAOYSA-N -1 0 336.329 2.218 20 5 EEBDRM Nc1ccc(C(=O)O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001601214908 1350233235 /nfs/dbraw/zinc/23/32/35/1350233235.db2.gz PIOUVSQJIOPPDW-AWEZNQCLSA-N -1 0 348.286 2.169 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001601349284 1350263497 /nfs/dbraw/zinc/26/34/97/1350263497.db2.gz AQLLUECIOHSEIQ-BMIGLBTASA-N -1 0 336.369 2.153 20 5 EEBDRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001601575652 1350310685 /nfs/dbraw/zinc/31/06/85/1350310685.db2.gz BQNIVKQMZBTDNZ-FKQCQYRASA-N -1 0 332.234 2.207 20 5 EEBDRM O=C([O-])C1=NO[C@]2(CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])C2)C1 ZINC001601743320 1350353615 /nfs/dbraw/zinc/35/36/15/1350353615.db2.gz ICNJSCKQJHQDCR-CQSZACIVSA-N -1 0 341.270 2.342 20 5 EEBDRM O=C([O-])/C=C\c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001601875677 1350387342 /nfs/dbraw/zinc/38/73/42/1350387342.db2.gz VVYWRPGUHLEDNJ-XQRVVYSFSA-N -1 0 342.307 2.484 20 5 EEBDRM O=C([O-])/C=C/c1ccc(SCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC001601886475 1350390805 /nfs/dbraw/zinc/39/08/05/1350390805.db2.gz SVUWGRONMREWOC-DUXPYHPUSA-N -1 0 338.385 2.117 20 5 EEBDRM O=C([O-])CC1(COC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC001601922140 1350398086 /nfs/dbraw/zinc/39/80/86/1350398086.db2.gz MYRTZMGCOHHSSV-UHFFFAOYSA-N -1 0 345.311 2.397 20 5 EEBDRM O=C([O-])COc1ccc(CN2CC(CC(F)F)C2)cc1[N+](=O)[O-] ZINC001602082429 1350432434 /nfs/dbraw/zinc/43/24/34/1350432434.db2.gz BBTKMOPKUKEBRB-UHFFFAOYSA-N -1 0 330.287 2.145 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H]2CCCC23CCOCC3)cc([N+](=O)[O-])c1 ZINC001602246639 1350475645 /nfs/dbraw/zinc/47/56/45/1350475645.db2.gz KOUQENPXUXIDIV-AWEZNQCLSA-N -1 0 348.355 2.372 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCCN(CC(F)(F)F)C2)n1 ZINC001602404537 1350511892 /nfs/dbraw/zinc/51/18/92/1350511892.db2.gz OROBFXSRINUKJV-QMMMGPOBSA-N -1 0 348.281 2.127 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2cnn(-c3ccccc3)n2)c1 ZINC001602408012 1350513002 /nfs/dbraw/zinc/51/30/02/1350513002.db2.gz LRWXUQXHJJEILI-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1cccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001602431503 1350518107 /nfs/dbraw/zinc/51/81/07/1350518107.db2.gz JEMOZNKMWCDLFY-UHFFFAOYSA-N -1 0 329.264 2.333 20 5 EEBDRM O=C([O-])c1cccnc1Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1 ZINC001602476426 1350527977 /nfs/dbraw/zinc/52/79/77/1350527977.db2.gz TZKBVKIRIPVXIP-UHFFFAOYSA-N -1 0 343.274 2.134 20 5 EEBDRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC001602625550 1350561105 /nfs/dbraw/zinc/56/11/05/1350561105.db2.gz SCACYPDWAKXPLK-INIZCTEOSA-N -1 0 330.296 2.056 20 5 EEBDRM O=C([O-])/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)CN1CCC(=O)CC1 ZINC001602646217 1350565014 /nfs/dbraw/zinc/56/50/14/1350565014.db2.gz CUUPITREJTWZTG-XFFZJAGNSA-N -1 0 338.747 2.381 20 5 EEBDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC001603290131 1350680862 /nfs/dbraw/zinc/68/08/62/1350680862.db2.gz MNHMDKSRUYDQBZ-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001604493296 1350949194 /nfs/dbraw/zinc/94/91/94/1350949194.db2.gz HGIWNRUNGBYIMA-VBQJREDUSA-N -1 0 332.356 2.412 20 5 EEBDRM CN(C)c1ccccc1CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001604701997 1350988183 /nfs/dbraw/zinc/98/81/83/1350988183.db2.gz CTUAVAIDNKRXRU-UHFFFAOYSA-N -1 0 339.359 2.453 20 5 EEBDRM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)o1 ZINC001606979182 1351391101 /nfs/dbraw/zinc/39/11/01/1351391101.db2.gz ZXUYNNUGMAXDKO-UHFFFAOYSA-N -1 0 349.690 2.378 20 5 EEBDRM COc1cc(CN(C)[C@H](COC(C)C)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607156444 1351439600 /nfs/dbraw/zinc/43/96/00/1351439600.db2.gz XUQVYRBRKGPDMZ-CYBMUJFWSA-N -1 0 344.339 2.053 20 5 EEBDRM COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)ccc1C(=O)[O-] ZINC001607162790 1351440622 /nfs/dbraw/zinc/44/06/22/1351440622.db2.gz DIQPOBFEAWLZNP-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM COc1cccc(C(=O)N2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)c1[N+](=O)[O-] ZINC001607303656 1351469147 /nfs/dbraw/zinc/46/91/47/1351469147.db2.gz LKEBTCQGKPHZHS-JGPRNRPPSA-N -1 0 336.344 2.317 20 5 EEBDRM Cn1nc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001608149074 1351635521 /nfs/dbraw/zinc/63/55/21/1351635521.db2.gz USFKMTFABGFMCU-UHFFFAOYSA-N -1 0 345.237 2.052 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cn2cc(C3CC3)cn2)cc([N+](=O)[O-])c1 ZINC001608377630 1351682178 /nfs/dbraw/zinc/68/21/78/1351682178.db2.gz WVJQVJVZGIBMEV-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC=CCC1 ZINC000835275137 1372609091 /nfs/dbraw/zinc/60/90/91/1372609091.db2.gz AJHOXTJIVDNIEQ-CQSZACIVSA-N -1 0 342.348 2.285 20 5 EEBDRM CCc1nn(C)c(CC)c1CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837661893 1372796351 /nfs/dbraw/zinc/79/63/51/1372796351.db2.gz GCTAHPYAKUKALN-UHFFFAOYSA-N -1 0 347.371 2.445 20 5 EEBDRM O=C(C=C1CCCC1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000918489656 769128080 /nfs/dbraw/zinc/12/80/80/769128080.db2.gz IYJUVWWVHOPFRQ-UHFFFAOYSA-N -1 0 328.321 2.039 20 5 EEBDRM Cc1n[nH]c(C(=O)NCC=CCNc2cc(C)ccc2[N+](=O)[O-])c1[O-] ZINC001107127605 785288666 /nfs/dbraw/zinc/28/86/66/785288666.db2.gz OCTKAAAKBSSIRW-ONEGZZNKSA-N -1 0 345.359 2.038 20 5 EEBDRM CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1O ZINC000819354105 785517580 /nfs/dbraw/zinc/51/75/80/785517580.db2.gz FDUMAEHSNIWSMD-UHFFFAOYSA-N -1 0 346.295 2.435 20 5 EEBDRM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000819953018 785739126 /nfs/dbraw/zinc/73/91/26/785739126.db2.gz IDJYEZLXYCAYAR-RNCFNFMXSA-N -1 0 344.364 2.365 20 5 EEBDRM CC1([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)C2)OCCO1 ZINC000844207759 788926043 /nfs/dbraw/zinc/92/60/43/788926043.db2.gz FLDVULSPVRRVDO-LLVKDONJSA-N -1 0 336.344 2.272 20 5 EEBDRM Cc1cc(N2CCC[C@@H](C3OCCO3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844209896 788927154 /nfs/dbraw/zinc/92/71/54/788927154.db2.gz YXOYPYGEKDOYEG-LLVKDONJSA-N -1 0 336.344 2.191 20 5 EEBDRM CCc1ccc([C@H](O)CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000844213129 788930185 /nfs/dbraw/zinc/93/01/85/788930185.db2.gz UTRLWLBSWKFQID-CYBMUJFWSA-N -1 0 331.328 2.396 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845435344 789774175 /nfs/dbraw/zinc/77/41/75/789774175.db2.gz BQXGEBVQPWMTKW-GRYCIOLGSA-N -1 0 336.369 2.002 20 5 EEBDRM Cc1cc(C)c(C(N)=O)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001174503027 797784254 /nfs/dbraw/zinc/78/42/54/797784254.db2.gz TULQRUGNEHGIHA-UHFFFAOYSA-N -1 0 330.300 2.147 20 5 EEBDRM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000804471946 810891520 /nfs/dbraw/zinc/89/15/20/810891520.db2.gz SDJOFBSMIAKHBC-MEDUHNTESA-N -1 0 330.340 2.461 20 5 EEBDRM O=C([O-])[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCc2ccccc21 ZINC000610846151 939808005 /nfs/dbraw/zinc/80/80/05/939808005.db2.gz MXPOEVMMNUHZCY-KRWDZBQOSA-N -1 0 326.308 2.251 20 5 EEBDRM O=C([O-])c1ccc(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cn1 ZINC001595215183 949210259 /nfs/dbraw/zinc/21/02/59/949210259.db2.gz JHDGHYRTVWKDAM-UHFFFAOYSA-N -1 0 331.259 2.030 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001589271726 953413985 /nfs/dbraw/zinc/41/39/85/953413985.db2.gz GBGTVZCKVJRUCS-ZJUUUORDSA-N -1 0 331.328 2.259 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001589298386 953666208 /nfs/dbraw/zinc/66/62/08/953666208.db2.gz LNKFOGPZLQQIPJ-PWSUYJOCSA-N -1 0 338.335 2.378 20 5 EEBDRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001594794806 953706018 /nfs/dbraw/zinc/70/60/18/953706018.db2.gz XLLYXOHDIIVANL-KNVOCYPGSA-N -1 0 332.234 2.207 20 5 EEBDRM CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001593657449 953757999 /nfs/dbraw/zinc/75/79/99/953757999.db2.gz CMVDKXBTVSQQSR-UHFFFAOYSA-N -1 0 345.359 2.174 20 5 EEBDRM C[C@@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C(=O)[O-] ZINC001589332965 953959793 /nfs/dbraw/zinc/95/97/93/953959793.db2.gz IEGFBTSIFSAHDO-QMTHXVAHSA-N -1 0 346.343 2.330 20 5 EEBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589136246 956227987 /nfs/dbraw/zinc/22/79/87/956227987.db2.gz IYXGJALKYGESID-KPXOXKRLSA-N -1 0 335.360 2.241 20 5 EEBDRM Cc1nn(CCC(=O)Nc2ccc(C(=O)[O-])cc2C)c(C)c1[N+](=O)[O-] ZINC001319327529 960942464 /nfs/dbraw/zinc/94/24/64/960942464.db2.gz CCNFSSRHBFVRBA-UHFFFAOYSA-N -1 0 346.343 2.444 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C(=O)[O-])cn2)c1 ZINC001574382528 961116601 /nfs/dbraw/zinc/11/66/01/961116601.db2.gz TWVWCAQWGDQNRP-UHFFFAOYSA-N -1 0 345.311 2.404 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000852911816 969291865 /nfs/dbraw/zinc/29/18/65/969291865.db2.gz FLBOBIPXTFDNBW-GXSJLCMTSA-N -1 0 333.344 2.169 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCC1 ZINC000852960347 969303808 /nfs/dbraw/zinc/30/38/08/969303808.db2.gz FNJKQPYPQUJJQY-JTQLQIEISA-N -1 0 326.736 2.479 20 5 EEBDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001603320157 972634024 /nfs/dbraw/zinc/63/40/24/972634024.db2.gz BRWDETUAYJLCCJ-HNNXBMFYSA-N -1 0 340.763 2.408 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2C(=O)[O-])n1 ZINC001604390204 973114247 /nfs/dbraw/zinc/11/42/47/973114247.db2.gz NYOPDWCQDRPOJC-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM COc1cc(C(=O)NCc2ccccc2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001604686925 973884841 /nfs/dbraw/zinc/88/48/41/973884841.db2.gz TWWHTDWGSGLLIC-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1[N+](=O)[O-] ZINC001591921049 976392391 /nfs/dbraw/zinc/39/23/91/976392391.db2.gz OANWOYMPTANFJJ-QMMMGPOBSA-N -1 0 326.353 2.061 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccncc1 ZINC001592304676 977666349 /nfs/dbraw/zinc/66/63/49/977666349.db2.gz UBXAKDAYOWZDGQ-MRXNPFEDSA-N -1 0 347.302 2.249 20 5 EEBDRM C[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001592730498 979249502 /nfs/dbraw/zinc/24/95/02/979249502.db2.gz WNROFYXHADFOLP-MRVPVSSYSA-N -1 0 325.321 2.078 20 5 EEBDRM CO[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000849349060 979500188 /nfs/dbraw/zinc/50/01/88/979500188.db2.gz OINHXBSEXFDXAQ-RFCFBSKUSA-N -1 0 336.344 2.156 20 5 EEBDRM CC[C@@]1(C)CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC001595370454 980841832 /nfs/dbraw/zinc/84/18/32/980841832.db2.gz LUMBEMUSHMMWRH-AWEZNQCLSA-N -1 0 339.304 2.207 20 5 EEBDRM CCOC(=O)/C(=C/c1c[nH]c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cn1 ZINC001596509225 984269272 /nfs/dbraw/zinc/26/92/72/984269272.db2.gz DUVUIICOECFAMY-VZUCSPMQSA-N -1 0 331.284 2.120 20 5 EEBDRM CCOC(=O)/C(=C\c1ccc(C(=O)[O-])o1)c1ccc([N+](=O)[O-])cn1 ZINC001596509523 984271486 /nfs/dbraw/zinc/27/14/86/984271486.db2.gz PGCNLGDEMTVFSE-XFFZJAGNSA-N -1 0 332.268 2.385 20 5 EEBDRM CCOC(=O)C1=CC[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001596565639 984450882 /nfs/dbraw/zinc/45/08/82/984450882.db2.gz ROXDOMISQLKATF-GFCCVEGCSA-N -1 0 334.328 2.286 20 5 EEBDRM CCOC(=O)CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(C)C ZINC001596622016 984597316 /nfs/dbraw/zinc/59/73/16/984597316.db2.gz FJAYQILHHVYEBJ-UHFFFAOYSA-N -1 0 338.360 2.314 20 5 EEBDRM C/C(=C/CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588978389 984841495 /nfs/dbraw/zinc/84/14/95/984841495.db2.gz GSJIMOXWZOCGKO-DAXSKMNVSA-N -1 0 332.234 2.374 20 5 EEBDRM CCO[C@H]1C[C@@]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596837827 985499126 /nfs/dbraw/zinc/49/91/26/985499126.db2.gz KTADUSDQXLJEHH-XJKSGUPXSA-N -1 0 338.360 2.048 20 5 EEBDRM CCOC[C@@H](C(=O)[O-])N(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001596883609 985756257 /nfs/dbraw/zinc/75/62/57/985756257.db2.gz FNJWVTHPDCIQTB-AWEZNQCLSA-N -1 0 340.376 2.304 20 5 EEBDRM CCOc1cc(NC(=O)N[C@H](CC(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC001597041866 986489689 /nfs/dbraw/zinc/48/96/89/986489689.db2.gz GQJZDIIMIFEPRG-LLVKDONJSA-N -1 0 337.332 2.368 20 5 EEBDRM C[C@@H]1N(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCOC1(C)C ZINC001594627542 986699564 /nfs/dbraw/zinc/69/95/64/986699564.db2.gz VPQJQYXJCCQIPY-NSHDSACASA-N -1 0 338.360 2.058 20 5 EEBDRM CCc1[nH]c(CNCc2cc([N+](=O)[O-])ccc2OC)cc1C(=O)[O-] ZINC001597395277 987646095 /nfs/dbraw/zinc/64/60/95/987646095.db2.gz QHKPXFPNGPYTSC-UHFFFAOYSA-N -1 0 333.344 2.482 20 5 EEBDRM CC(C)(C(=O)OCc1oncc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001589681801 987714746 /nfs/dbraw/zinc/71/47/46/987714746.db2.gz GFJVFOKVCYKASR-UHFFFAOYSA-N -1 0 334.284 2.302 20 5 EEBDRM CSc1ccc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599809647 988311715 /nfs/dbraw/zinc/31/17/15/988311715.db2.gz OMSLLNQQINFJHZ-SECBINFHSA-N -1 0 346.311 2.251 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001597563682 988317386 /nfs/dbraw/zinc/31/73/86/988317386.db2.gz UKCLIJHGWTYHCX-UHFFFAOYSA-N -1 0 344.389 2.031 20 5 EEBDRM CC(C)(CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC001590749451 990549103 /nfs/dbraw/zinc/54/91/03/990549103.db2.gz YOBJMXMPHHNFII-UHFFFAOYSA-N -1 0 346.343 2.011 20 5 EEBDRM CC(C)(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(C(=O)[O-])on1 ZINC001590874354 990784463 /nfs/dbraw/zinc/78/44/63/990784463.db2.gz CUYKZIXCZQLCKR-UHFFFAOYSA-N -1 0 345.315 2.182 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C(=O)[O-] ZINC001591018883 991299264 /nfs/dbraw/zinc/29/92/64/991299264.db2.gz MACDLEAGCXQUJJ-ZDUSSCGKSA-N -1 0 331.328 2.169 20 5 EEBDRM CC(C)[C@@]1(C)C[C@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001591061170 991498282 /nfs/dbraw/zinc/49/82/82/991498282.db2.gz FEFBFJZLHBSBED-CZUORRHYSA-N -1 0 335.360 2.256 20 5 EEBDRM CC(C)Cn1cc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001591522487 992694653 /nfs/dbraw/zinc/69/46/53/992694653.db2.gz AMJKAAGFKYQDPE-UHFFFAOYSA-N -1 0 333.300 2.365 20 5 EEBDRM COc1ccc(OC)c(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001599602187 993831790 /nfs/dbraw/zinc/83/17/90/993831790.db2.gz IHDKRBUAMMQSRN-UHFFFAOYSA-N -1 0 333.300 2.317 20 5 EEBDRM C[C@](NC(=O)c1ccc(Cl)[nH]1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593164040 994004481 /nfs/dbraw/zinc/00/44/81/994004481.db2.gz WLSFTNUYLHCNRT-CQSZACIVSA-N -1 0 337.719 2.306 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599622235 994100265 /nfs/dbraw/zinc/10/02/65/994100265.db2.gz DVPUJNAIAOVHGS-CJNGLKHVSA-N -1 0 349.343 2.465 20 5 EEBDRM COc1cccc(C(=O)[O-])c1OC(=O)COc1ccccc1[N+](=O)[O-] ZINC001599643945 994397761 /nfs/dbraw/zinc/39/77/61/994397761.db2.gz KNWDVJFNANLPPH-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM CNc1ccc(C(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC001598678271 994883525 /nfs/dbraw/zinc/88/35/25/994883525.db2.gz CUUFZHXYFASBPQ-UHFFFAOYSA-N -1 0 336.329 2.352 20 5 EEBDRM CO[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@](C)(C(=O)[O-])C1 ZINC001599129208 997909595 /nfs/dbraw/zinc/90/95/95/997909595.db2.gz FCCQKEUJLMRKIW-ZBEGNZNMSA-N -1 0 348.311 2.045 20 5 EEBDRM COc1ccc(CC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1[N+](=O)[O-] ZINC001599547501 997949134 /nfs/dbraw/zinc/94/91/34/997949134.db2.gz RDUKYXVYXJWVPL-PBHICJAKSA-N -1 0 348.355 2.002 20 5 EEBDRM COc1cc([N+](=O)[O-])cn(Cc2cc(C(=O)[O-])ccc2Cl)c1=O ZINC001599462688 998302154 /nfs/dbraw/zinc/30/21/54/998302154.db2.gz GKDQANPJPDSINO-UHFFFAOYSA-N -1 0 338.703 2.165 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C(C)C)o1 ZINC000153598350 529731044 /nfs/dbraw/zinc/73/10/44/529731044.db2.gz DCKAQJGLBYPEQV-UHFFFAOYSA-N -1 0 340.361 2.464 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000192996727 239971373 /nfs/dbraw/zinc/97/13/73/239971373.db2.gz MVQYDSQBCHPVLP-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236829738 242375071 /nfs/dbraw/zinc/37/50/71/242375071.db2.gz FYOPBDGQQXPRTE-UHFFFAOYSA-N -1 0 335.360 2.132 20 5 EEBDRM COc1cccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000450521097 242839947 /nfs/dbraw/zinc/83/99/47/242839947.db2.gz SIWHCKQEWGSNEU-LLVKDONJSA-N -1 0 336.344 2.320 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000456256210 244200792 /nfs/dbraw/zinc/20/07/92/244200792.db2.gz BLPMFEUJJXOFEE-IUODEOHRSA-N -1 0 343.339 2.346 20 5 EEBDRM CN(CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000262835049 245202718 /nfs/dbraw/zinc/20/27/18/245202718.db2.gz QTPZKAKCBVGEPN-SJKOYZFVSA-N -1 0 349.387 2.181 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000263017121 245298870 /nfs/dbraw/zinc/29/88/70/245298870.db2.gz XNZXXWWBKFYHFS-QMMMGPOBSA-N -1 0 344.776 2.273 20 5 EEBDRM C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000263157322 245348382 /nfs/dbraw/zinc/34/83/82/245348382.db2.gz XUHRQOBEIAIOCM-BXUZGUMPSA-N -1 0 335.360 2.109 20 5 EEBDRM CCCc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n(C)n1 ZINC000092866076 218177552 /nfs/dbraw/zinc/17/75/52/218177552.db2.gz GZJJYUCKIRSSPI-UHFFFAOYSA-N -1 0 338.389 2.390 20 5 EEBDRM O=C(NCc1nc(-c2cccs2)no1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000068465944 292162632 /nfs/dbraw/zinc/16/26/32/292162632.db2.gz OAPQRJDGXHNNEG-UHFFFAOYSA-N -1 0 346.324 2.342 20 5 EEBDRM CCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262974460 152348843 /nfs/dbraw/zinc/34/88/43/152348843.db2.gz MYBHDVJCYBXJOZ-CMPLNLGQSA-N -1 0 336.344 2.176 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000263001464 152354852 /nfs/dbraw/zinc/35/48/52/152354852.db2.gz VALKWTVXIVMTAY-JSGCOSHPSA-N -1 0 335.360 2.452 20 5 EEBDRM C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC000263162033 152391438 /nfs/dbraw/zinc/39/14/38/152391438.db2.gz YCPGQRNKFBINHP-DOMZBBRYSA-N -1 0 349.387 2.499 20 5 EEBDRM O=C(Nc1ccn(CC(F)(F)F)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000127358025 292323780 /nfs/dbraw/zinc/32/37/80/292323780.db2.gz COXIWVNOVAZFLH-UHFFFAOYSA-N -1 0 330.222 2.312 20 5 EEBDRM O=C([O-])COc1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000325608857 160542657 /nfs/dbraw/zinc/54/26/57/160542657.db2.gz QDUIRSQFCWLBOF-UHFFFAOYSA-N -1 0 330.296 2.239 20 5 EEBDRM Cc1nn(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C ZINC000107037460 159326351 /nfs/dbraw/zinc/32/63/51/159326351.db2.gz CIWMQQUBHZIXCC-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000342523390 161071626 /nfs/dbraw/zinc/07/16/26/161071626.db2.gz JPVABXXVHQZTAZ-QMMMGPOBSA-N -1 0 335.341 2.263 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)c2cccc(C(=O)[O-])n2)cc1[N+](=O)[O-] ZINC000345780739 161331677 /nfs/dbraw/zinc/33/16/77/161331677.db2.gz GEYAGUGJGVWSDB-SNVBAGLBSA-N -1 0 329.312 2.487 20 5 EEBDRM Cc1cccc(N(CCC(N)=O)C(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000136753203 292458162 /nfs/dbraw/zinc/45/81/62/292458162.db2.gz IIDIQJZGZLJUBO-UHFFFAOYSA-N -1 0 343.339 2.131 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCC1 ZINC000355470227 163200963 /nfs/dbraw/zinc/20/09/63/163200963.db2.gz GOIMOPLWCVTCOM-UHFFFAOYSA-N -1 0 342.373 2.212 20 5 EEBDRM O=C1C[C@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)CN1CC1CC1 ZINC000278180888 269213879 /nfs/dbraw/zinc/21/38/79/269213879.db2.gz UHDDHAJJVLPXHK-NSHDSACASA-N -1 0 344.327 2.076 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000275289873 274235727 /nfs/dbraw/zinc/23/57/27/274235727.db2.gz LWXVVVNLBFCSFC-NSHDSACASA-N -1 0 342.373 2.003 20 5 EEBDRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000277337441 274285138 /nfs/dbraw/zinc/28/51/38/274285138.db2.gz WAUYDMJIRGVLNL-NSHDSACASA-N -1 0 344.389 2.085 20 5 EEBDRM COc1cc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000262876268 294942318 /nfs/dbraw/zinc/94/23/18/294942318.db2.gz XCROWJSASSGKAW-ZBEGNZNMSA-N -1 0 336.344 2.367 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C(=O)[O-])C1 ZINC000263033048 299955270 /nfs/dbraw/zinc/95/52/70/299955270.db2.gz ORODGLLKEZJKCI-TVQRCGJNSA-N -1 0 331.328 2.401 20 5 EEBDRM O=C([O-])C[C@H]1CSCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000320638694 311595471 /nfs/dbraw/zinc/59/54/71/311595471.db2.gz HQRJSZLEQGHKMJ-FYJFLYSWSA-N -1 0 336.369 2.027 20 5 EEBDRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000323418795 311599542 /nfs/dbraw/zinc/59/95/42/311599542.db2.gz RZXFZYKGMXZMAP-MRVPVSSYSA-N -1 0 339.201 2.261 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000435954455 314934513 /nfs/dbraw/zinc/93/45/13/314934513.db2.gz QRSCYFKXLYDBKW-LDYMZIIASA-N -1 0 342.373 2.068 20 5 EEBDRM CC(C)c1nnc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000436770829 314996887 /nfs/dbraw/zinc/99/68/87/314996887.db2.gz QNLOPQGPGMNTFF-UHFFFAOYSA-N -1 0 336.373 2.248 20 5 EEBDRM CN(C)C(=O)c1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436942628 315015318 /nfs/dbraw/zinc/01/53/18/315015318.db2.gz WDIKGZDEMONROQ-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM CCOC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436962577 315017289 /nfs/dbraw/zinc/01/72/89/315017289.db2.gz XOKOPUHNYZOTBA-UHFFFAOYSA-N -1 0 344.323 2.407 20 5 EEBDRM COc1ccc(COCCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436968031 315017867 /nfs/dbraw/zinc/01/78/67/315017867.db2.gz ZZBZQCJUCYJPCT-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM CN1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)Cc2ccccc21 ZINC000444549290 315307221 /nfs/dbraw/zinc/30/72/21/315307221.db2.gz PLIKQGVFICGRHO-LBPRGKRZSA-N -1 0 341.367 2.339 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)C=Cc2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000492805237 315820747 /nfs/dbraw/zinc/82/07/47/315820747.db2.gz JACZGNQJZYSMBR-XCODYQFDSA-N -1 0 334.357 2.228 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493086619 315873895 /nfs/dbraw/zinc/87/38/95/315873895.db2.gz ACVQQXUEOQZNBY-MIISXNGMSA-N -1 0 336.319 2.459 20 5 EEBDRM O=C(Nc1cnn(-c2ccccn2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000541880797 318115298 /nfs/dbraw/zinc/11/52/98/318115298.db2.gz ZHNDCBVIRVSJRF-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM COC(=O)CCC1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000547858948 318329719 /nfs/dbraw/zinc/32/97/19/318329719.db2.gz CPMSNPKFWXRKLG-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])C1 ZINC000564100082 319067849 /nfs/dbraw/zinc/06/78/49/319067849.db2.gz SFPKSNUMDIOLBI-SBMIAAHKSA-N -1 0 342.373 2.045 20 5 EEBDRM COc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000565508196 319188657 /nfs/dbraw/zinc/18/86/57/319188657.db2.gz HBBICHKMIAHWFY-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM COCC1=CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000566276640 319268069 /nfs/dbraw/zinc/26/80/69/319268069.db2.gz OBCGOMHOGUZCLM-UHFFFAOYSA-N -1 0 326.736 2.373 20 5 EEBDRM Cc1cc(N[C@@H](C)[C@@H](C)N2CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566291537 319270068 /nfs/dbraw/zinc/27/00/68/319270068.db2.gz LTEMZOGMRFKHJF-NWDGAFQWSA-N -1 0 337.376 2.123 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000566297874 319271440 /nfs/dbraw/zinc/27/14/40/319271440.db2.gz VCMWKHNQDPRLFA-QGZVFWFLSA-N -1 0 345.355 2.461 20 5 EEBDRM C[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC000571204289 319734963 /nfs/dbraw/zinc/73/49/63/319734963.db2.gz SJDYIEJJADXMHN-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000574572995 320037864 /nfs/dbraw/zinc/03/78/64/320037864.db2.gz OYGMQAMRHWFXKE-MWLCHTKSSA-N -1 0 337.332 2.178 20 5 EEBDRM CC(C)(CCCO)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000576827141 320207712 /nfs/dbraw/zinc/20/77/12/320207712.db2.gz VZXGGCLYRUIARB-UHFFFAOYSA-N -1 0 330.768 2.482 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C[N@H+](CCC(=O)[O-])C1CCOCC1 ZINC000577869311 320281442 /nfs/dbraw/zinc/28/14/42/320281442.db2.gz DDZZDJDHSVRQTH-UHFFFAOYSA-N -1 0 338.360 2.059 20 5 EEBDRM O=C([O-])c1cc(N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000581075202 324181316 /nfs/dbraw/zinc/18/13/16/324181316.db2.gz WMVRONOWJYMQCA-QPUJVOFHSA-N -1 0 348.277 2.433 20 5 EEBDRM O=C([O-])CC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000581434652 324253326 /nfs/dbraw/zinc/25/33/26/324253326.db2.gz HBTXTYRAPFYHBD-UHFFFAOYSA-N -1 0 346.343 2.332 20 5 EEBDRM Cc1ccnc(N(C)Cc2ccc(OCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000583384216 324653169 /nfs/dbraw/zinc/65/31/69/324653169.db2.gz LBOBKMVYYZILGZ-UHFFFAOYSA-N -1 0 331.328 2.398 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000583810591 324738130 /nfs/dbraw/zinc/73/81/30/324738130.db2.gz WWPSPHPNODGIDS-UHFFFAOYSA-N -1 0 344.389 2.215 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000336877217 465070532 /nfs/dbraw/zinc/07/05/32/465070532.db2.gz OIVPYRWKZVBHBI-LBPRGKRZSA-N -1 0 335.360 2.253 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1C ZINC000060441760 462549957 /nfs/dbraw/zinc/54/99/57/462549957.db2.gz MRMYAIFQIQHNLB-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CCOC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000065709374 462820212 /nfs/dbraw/zinc/82/02/12/462820212.db2.gz UWZJDSJKISYGDY-UHFFFAOYSA-N -1 0 344.323 2.407 20 5 EEBDRM Cn1ccnc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000119124548 462877463 /nfs/dbraw/zinc/87/74/63/462877463.db2.gz SSXJEJRZMUKLHS-UHFFFAOYSA-N -1 0 345.340 2.410 20 5 EEBDRM O=C(NCc1nc2cc(F)ccc2[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000155451424 462893877 /nfs/dbraw/zinc/89/38/77/462893877.db2.gz KDUJSGLOKALBCO-UHFFFAOYSA-N -1 0 330.275 2.246 20 5 EEBDRM Cc1csc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)n1 ZINC000030702741 463309498 /nfs/dbraw/zinc/30/94/98/463309498.db2.gz HIVWFSYETVUISO-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000161972977 463473157 /nfs/dbraw/zinc/47/31/57/463473157.db2.gz DAGPSVZIMVOWMJ-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(C(C)C)o1 ZINC000163229533 463574279 /nfs/dbraw/zinc/57/42/79/463574279.db2.gz ZKQBGJOBNSFCMJ-UHFFFAOYSA-N -1 0 326.334 2.210 20 5 EEBDRM C[S@@](=O)Cc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164664347 463629669 /nfs/dbraw/zinc/62/96/69/463629669.db2.gz GTSOCMSTEVNLOC-QHCPKHFHSA-N -1 0 334.353 2.431 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(COC)ns2)c1 ZINC000283030658 463740111 /nfs/dbraw/zinc/74/01/11/463740111.db2.gz FYUJITGKSUQAMI-UHFFFAOYSA-N -1 0 338.345 2.244 20 5 EEBDRM O=C(COc1ccccc1[N+](=O)[O-])NC1(C(=O)[O-])CCCCCC1 ZINC000261636233 463810854 /nfs/dbraw/zinc/81/08/54/463810854.db2.gz DODVXQFPRITGQA-UHFFFAOYSA-N -1 0 336.344 2.267 20 5 EEBDRM O=C(NC[C@@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000178537678 463917462 /nfs/dbraw/zinc/91/74/62/463917462.db2.gz FUAHVGKGXURFKH-CYBMUJFWSA-N -1 0 330.340 2.196 20 5 EEBDRM COC1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000263572208 464131802 /nfs/dbraw/zinc/13/18/02/464131802.db2.gz KPUNESFEAFFQMD-UHFFFAOYSA-N -1 0 336.344 2.372 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(O)(c2ccccc2)CC1 ZINC000187533699 464138915 /nfs/dbraw/zinc/13/89/15/464138915.db2.gz AIYDHXKTZVMGMW-UHFFFAOYSA-N -1 0 342.351 2.424 20 5 EEBDRM O=C(NC[C@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187854916 464168967 /nfs/dbraw/zinc/16/89/67/464168967.db2.gz SNLOZUNWOPUMJA-ZDUSSCGKSA-N -1 0 330.340 2.196 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000237287068 464297390 /nfs/dbraw/zinc/29/73/90/464297390.db2.gz HCJBQVJAAWYGCN-UHFFFAOYSA-N -1 0 335.360 2.132 20 5 EEBDRM Cc1csc([C@@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000189024918 464416869 /nfs/dbraw/zinc/41/68/69/464416869.db2.gz LFPAWSJPMCHOPF-LBPRGKRZSA-N -1 0 349.368 2.279 20 5 EEBDRM C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)CC(=O)[O-] ZINC000271956058 464427080 /nfs/dbraw/zinc/42/70/80/464427080.db2.gz LEWOYFZWJYMNOS-NSHDSACASA-N -1 0 335.360 2.036 20 5 EEBDRM NC(=O)CN(CCC1CCCCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356511578 465427284 /nfs/dbraw/zinc/42/72/84/465427284.db2.gz KVLPFBPAVKGGHD-UHFFFAOYSA-N -1 0 349.387 2.198 20 5 EEBDRM COc1ccc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC000356513483 465428886 /nfs/dbraw/zinc/42/88/86/465428886.db2.gz NVAYWSVJFHMOSX-UHFFFAOYSA-N -1 0 334.303 2.421 20 5 EEBDRM C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000593950357 468442567 /nfs/dbraw/zinc/44/25/67/468442567.db2.gz AHAHZIALNFILSQ-LURJTMIESA-N -1 0 333.247 2.038 20 5 EEBDRM CC[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000330780123 465802118 /nfs/dbraw/zinc/80/21/18/465802118.db2.gz NHTYKWGIXCBVHM-KBPBESRZSA-N -1 0 349.387 2.162 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000569224821 468458942 /nfs/dbraw/zinc/45/89/42/468458942.db2.gz FUQFJBCBONUUOQ-ZBEGNZNMSA-N -1 0 336.344 2.067 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3nccnc3c2)ccc1[O-] ZINC000340243609 465914724 /nfs/dbraw/zinc/91/47/24/465914724.db2.gz BVQUDGNQRSSQJT-UHFFFAOYSA-N -1 0 346.324 2.044 20 5 EEBDRM O=C([O-])c1csc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000362808169 466043038 /nfs/dbraw/zinc/04/30/38/466043038.db2.gz XTXSIOHRJJFQRC-UHFFFAOYSA-N -1 0 346.324 2.161 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000353960478 466283887 /nfs/dbraw/zinc/28/38/87/466283887.db2.gz OXRRWKHGJIGSMQ-NWDGAFQWSA-N -1 0 335.360 2.014 20 5 EEBDRM CC(C)CCN(C1CC1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000314615078 466553724 /nfs/dbraw/zinc/55/37/24/466553724.db2.gz JFEUIJQMGSDSMB-UHFFFAOYSA-N -1 0 328.390 2.500 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000325070628 466652477 /nfs/dbraw/zinc/65/24/77/466652477.db2.gz FDLILKNAMBBRHJ-UHFFFAOYSA-N -1 0 334.284 2.133 20 5 EEBDRM COC(=O)Cc1ccc(NC[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424377729 467036377 /nfs/dbraw/zinc/03/63/77/467036377.db2.gz RSFKAOJHDWYUFY-GFCCVEGCSA-N -1 0 338.360 2.469 20 5 EEBDRM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000451096442 467246308 /nfs/dbraw/zinc/24/63/08/467246308.db2.gz OJLUGDDUBIRCMJ-GFCCVEGCSA-N -1 0 343.405 2.336 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000449006287 467611729 /nfs/dbraw/zinc/61/17/29/467611729.db2.gz YIPZBYKEYLHWQE-CQSZACIVSA-N -1 0 335.360 2.452 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000455613213 467692042 /nfs/dbraw/zinc/69/20/42/467692042.db2.gz BLMSVKDPLPSAHT-VIFPVBQESA-N -1 0 343.767 2.372 20 5 EEBDRM O=C(/C=C\c1ccco1)NCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000492717503 467724919 /nfs/dbraw/zinc/72/49/19/467724919.db2.gz QQJQHYLBLBTEND-XQRVVYSFSA-N -1 0 345.311 2.052 20 5 EEBDRM CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000569579485 468513707 /nfs/dbraw/zinc/51/37/07/468513707.db2.gz NOIWKSYRMIXUQI-PELKAZGASA-N -1 0 328.752 2.187 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1noc(C(F)F)n1 ZINC000591784394 468521345 /nfs/dbraw/zinc/52/13/45/468521345.db2.gz SHJGXJOWKAHSHV-YFKPBYRVSA-N -1 0 328.231 2.112 20 5 EEBDRM CC(C)[C@@]1(C(=O)[O-])CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000582488705 468548199 /nfs/dbraw/zinc/54/81/99/468548199.db2.gz OBLUHNRLEVYTMM-MRXNPFEDSA-N -1 0 346.343 2.181 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2nc(C3CC3)ncc2C1 ZINC000600421499 468552749 /nfs/dbraw/zinc/55/27/49/468552749.db2.gz XGUZUFAGYPXOOD-UHFFFAOYSA-N -1 0 340.339 2.166 20 5 EEBDRM CC(C)OC(=O)C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000594406593 468575069 /nfs/dbraw/zinc/57/50/69/468575069.db2.gz CVGADGQIEJXXSJ-LBPRGKRZSA-N -1 0 338.360 2.397 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@H](OC)C(C)C ZINC000592353338 468681490 /nfs/dbraw/zinc/68/14/90/468681490.db2.gz QMTKYFHPYQGPML-AWEZNQCLSA-N -1 0 346.405 2.406 20 5 EEBDRM CC(C)(CO)[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccnc1 ZINC000597845131 468690673 /nfs/dbraw/zinc/69/06/73/468690673.db2.gz FVAADOOECYFVCM-HNNXBMFYSA-N -1 0 345.355 2.185 20 5 EEBDRM CCc1cc(N[C@@H](CC)C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592420363 468694798 /nfs/dbraw/zinc/69/47/98/468694798.db2.gz BQYPZLHHFPNCRK-ZDUSSCGKSA-N -1 0 330.344 2.311 20 5 EEBDRM CCN(C[C@H]1CCOC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592753181 468775618 /nfs/dbraw/zinc/77/56/18/468775618.db2.gz HTFRJZIADWWJLU-SECBINFHSA-N -1 0 328.752 2.452 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@]2(CCOC2)C1 ZINC000592773810 468781957 /nfs/dbraw/zinc/78/19/57/468781957.db2.gz ZQUUTYBUEKMZEP-AWEZNQCLSA-N -1 0 326.736 2.206 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000595246308 468791637 /nfs/dbraw/zinc/79/16/37/468791637.db2.gz ZBVAPFNPRMUUNV-AVGNSLFASA-N -1 0 335.360 2.039 20 5 EEBDRM COc1ccc(CN(C)c2ncc(C(=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000592966664 468830509 /nfs/dbraw/zinc/83/05/09/468830509.db2.gz LPQZBHLZMQSUSH-UHFFFAOYSA-N -1 0 347.327 2.342 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CCCO[C@@H]2C(C)C)n1 ZINC000592977216 468832470 /nfs/dbraw/zinc/83/24/70/468832470.db2.gz SVNCTCLRDRCHFU-SMDDNHRTSA-N -1 0 337.376 2.860 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H](Oc3cccc(F)c3)C2)n1 ZINC000592977030 468832817 /nfs/dbraw/zinc/83/28/17/468832817.db2.gz VOYMLZXKKFDVMG-LBPRGKRZSA-N -1 0 347.302 2.485 20 5 EEBDRM O=C([O-])c1cnc(N2CC[C@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000592976854 468832835 /nfs/dbraw/zinc/83/28/35/468832835.db2.gz BWXUBEALNPDTFV-ZDUSSCGKSA-N -1 0 347.302 2.485 20 5 EEBDRM O=C([O-])c1ccc(N2CCN(c3ncc([N+](=O)[O-])s3)CC2)s1 ZINC000592984505 468834526 /nfs/dbraw/zinc/83/45/26/468834526.db2.gz NSOQENMDKCSMLV-UHFFFAOYSA-N -1 0 340.386 2.138 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCCc3c2cnn3C)n1 ZINC000572648608 468964777 /nfs/dbraw/zinc/96/47/77/468964777.db2.gz KJQWPKFEQCAWKZ-LLVKDONJSA-N -1 0 331.332 2.219 20 5 EEBDRM CCOc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000610483455 468981282 /nfs/dbraw/zinc/98/12/82/468981282.db2.gz LJRNMDMVHPZLLY-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM COC(=O)Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000614633816 468998381 /nfs/dbraw/zinc/99/83/81/468998381.db2.gz FWQROZCEZYIKLA-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM CO[C@]1(C(F)(F)F)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000614898120 469087155 /nfs/dbraw/zinc/08/71/55/469087155.db2.gz NIMJJKOTPRSPTB-CYBMUJFWSA-N -1 0 348.277 2.484 20 5 EEBDRM CO[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000573375356 469117241 /nfs/dbraw/zinc/11/72/41/469117241.db2.gz VWFFXHDACRBUNN-ZDUSSCGKSA-N -1 0 331.328 2.358 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000611558519 469279816 /nfs/dbraw/zinc/27/98/16/469279816.db2.gz AOEJYYKHHICJBO-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000611739125 469312339 /nfs/dbraw/zinc/31/23/39/469312339.db2.gz XNZMMIOAUBSRQQ-UHFFFAOYSA-N -1 0 340.361 2.251 20 5 EEBDRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000618939760 469477251 /nfs/dbraw/zinc/47/72/51/469477251.db2.gz MTSNYACIBVBRQS-NSHDSACASA-N -1 0 345.739 2.202 20 5 EEBDRM COC(=O)c1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000619868961 469692147 /nfs/dbraw/zinc/69/21/47/469692147.db2.gz LTUGNJQUYGHNRI-UHFFFAOYSA-N -1 0 330.296 2.017 20 5 EEBDRM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc(C)cs1 ZINC000610262940 469996458 /nfs/dbraw/zinc/99/64/58/469996458.db2.gz IKVXXFFWGJLPTE-VIFPVBQESA-N -1 0 342.402 2.184 20 5 EEBDRM CC(C)(C)CS(=O)(=O)[N-]C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491882431 534615656 /nfs/dbraw/zinc/61/56/56/534615656.db2.gz DJJSBZOSUWMDBR-FPLPWBNLSA-N -1 0 326.374 2.100 20 5 EEBDRM Cc1cc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(N)c([N+](=O)[O-])c1 ZINC000738326411 578009658 /nfs/dbraw/zinc/00/96/58/578009658.db2.gz SUIPADSYXAROFA-UHFFFAOYSA-N -1 0 341.323 2.340 20 5 EEBDRM O=c1c(-c2nnn[n-]2)cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000738372813 578011460 /nfs/dbraw/zinc/01/14/60/578011460.db2.gz WIAHYPUOJXCYBE-UHFFFAOYSA-N -1 0 348.322 2.138 20 5 EEBDRM C[C@@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000737713907 576594378 /nfs/dbraw/zinc/59/43/78/576594378.db2.gz NDUIHCIIDYALID-ZCFIWIBFSA-N -1 0 337.206 2.166 20 5 EEBDRM O=C(NC[C@H](O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773353757 577335909 /nfs/dbraw/zinc/33/59/09/577335909.db2.gz SSVAMAGCGSHYJL-AWEZNQCLSA-N -1 0 336.731 2.417 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000775294027 577434313 /nfs/dbraw/zinc/43/43/13/577434313.db2.gz ZQDPCVIYZPJSCI-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000767075373 577530291 /nfs/dbraw/zinc/53/02/91/577530291.db2.gz RFGVVKWIGRCNGT-ZDUSSCGKSA-N -1 0 347.371 2.178 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC000767700194 577543171 /nfs/dbraw/zinc/54/31/71/577543171.db2.gz DZFPWTSJUQRFFM-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM Cn1cnc2cc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)ccc21 ZINC000768862194 577564508 /nfs/dbraw/zinc/56/45/08/577564508.db2.gz ITCDLIQGMGNJDR-UHFFFAOYSA-N -1 0 338.370 2.344 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000747264533 577942067 /nfs/dbraw/zinc/94/20/67/577942067.db2.gz VCBIMXFQNCRNAN-UHFFFAOYSA-N -1 0 341.345 2.218 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOC[C@@H]2c2ccco2)cc([N+](=O)[O-])c1 ZINC000738672930 578023407 /nfs/dbraw/zinc/02/34/07/578023407.db2.gz NKPWFVDQFSKTEE-CYBMUJFWSA-N -1 0 346.295 2.100 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCNc2ccccc2)cc([N+](=O)[O-])c1 ZINC000738673742 578023441 /nfs/dbraw/zinc/02/34/41/578023441.db2.gz WBOCFXKQBFLBSS-UHFFFAOYSA-N -1 0 329.312 2.135 20 5 EEBDRM NC(=O)c1ccc(CNc2ccc(CNC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000739176026 578042561 /nfs/dbraw/zinc/04/25/61/578042561.db2.gz FWMVJDUXSNUVGW-UHFFFAOYSA-N -1 0 344.327 2.073 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CSCC(=O)[O-] ZINC000739704538 578064826 /nfs/dbraw/zinc/06/48/26/578064826.db2.gz LZAOSPJXVGNVTP-UHFFFAOYSA-N -1 0 332.765 2.024 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cccc3c2OCO3)cc([N+](=O)[O-])c1 ZINC000740089429 578080432 /nfs/dbraw/zinc/08/04/32/578080432.db2.gz VOWSHAHFHTWXRB-UHFFFAOYSA-N -1 0 330.252 2.274 20 5 EEBDRM CC(C)(C)OC(=O)NCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000736284030 578193431 /nfs/dbraw/zinc/19/34/31/578193431.db2.gz SWJKIINOZBIASA-UHFFFAOYSA-N -1 0 326.305 2.197 20 5 EEBDRM CC(C)c1nnc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000736533160 578209800 /nfs/dbraw/zinc/20/98/00/578209800.db2.gz RQBPVXSUABKUBM-UHFFFAOYSA-N -1 0 335.272 2.156 20 5 EEBDRM C[C@H](CN1CCOCC1)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000736585410 578213356 /nfs/dbraw/zinc/21/33/56/578213356.db2.gz JCRVCYCGYYQWOQ-SECBINFHSA-N -1 0 343.767 2.079 20 5 EEBDRM CCC[C@](C)(NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)[O-] ZINC000736958792 578231194 /nfs/dbraw/zinc/23/11/94/578231194.db2.gz IKIHLGJUMOBOTP-HNNXBMFYSA-N -1 0 334.332 2.378 20 5 EEBDRM CCn1nc(C)c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC000737310579 578249657 /nfs/dbraw/zinc/24/96/57/578249657.db2.gz ZGWJZVMOEXCLBO-UHFFFAOYSA-N -1 0 332.316 2.379 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C(=O)[O-] ZINC000737339100 578251361 /nfs/dbraw/zinc/25/13/61/578251361.db2.gz PSTXLNCYUULBFC-UHFFFAOYSA-N -1 0 345.149 2.293 20 5 EEBDRM CN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000255190438 598036650 /nfs/dbraw/zinc/03/66/50/598036650.db2.gz XFFLSELGEVKUOH-UHFFFAOYSA-N -1 0 343.339 2.364 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C(=O)[O-] ZINC000831310136 600940722 /nfs/dbraw/zinc/94/07/22/600940722.db2.gz UAIISPXZIBEUHA-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000830398892 601388736 /nfs/dbraw/zinc/38/87/36/601388736.db2.gz XQJPMCKFKWIPSR-UHFFFAOYSA-N -1 0 332.268 2.405 20 5 EEBDRM CCNc1ccc(C(=O)N(CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC000829809150 602400954 /nfs/dbraw/zinc/40/09/54/602400954.db2.gz QKOWXGPRZRVRAB-UHFFFAOYSA-N -1 0 335.360 2.496 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000827007028 604392793 /nfs/dbraw/zinc/39/27/93/604392793.db2.gz RVGUIDWMVSBBFJ-LBPRGKRZSA-N -1 0 344.751 2.198 20 5 EEBDRM CCn1c(SC[C@H](F)C(=O)[O-])nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000830415928 604752793 /nfs/dbraw/zinc/75/27/93/604752793.db2.gz FQYRHTKWZTURQM-JTQLQIEISA-N -1 0 340.336 2.388 20 5 EEBDRM CC(C)N1C(=O)CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(C)C ZINC000833501186 605187338 /nfs/dbraw/zinc/18/73/38/605187338.db2.gz RYIWTUJCJMMDSD-UHFFFAOYSA-N -1 0 335.360 2.129 20 5 EEBDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc1 ZINC000810515331 1199556153 /nfs/dbraw/zinc/55/61/53/1199556153.db2.gz BYISZHQRWXBOCU-UHFFFAOYSA-N -1 0 349.368 2.232 20 5 EEBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000866284081 1201483381 /nfs/dbraw/zinc/48/33/81/1201483381.db2.gz JJIOTPZAZYTXPZ-LBPRGKRZSA-N -1 0 335.257 2.381 20 5 EEBDRM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)[N-]OC1CCCCC1 ZINC000779321282 1209950331 /nfs/dbraw/zinc/95/03/31/1209950331.db2.gz WXFJTUCDDMBYFL-LBPRGKRZSA-N -1 0 339.396 2.208 20 5 EEBDRM O=C(CSc1n[n-]c(=S)s1)Nc1cccc([N+](=O)[O-])c1 ZINC000080463921 1210920573 /nfs/dbraw/zinc/92/05/73/1210920573.db2.gz TVMTYSVTGJZFTB-UHFFFAOYSA-N -1 0 328.400 2.466 20 5 EEBDRM Cc1cc(C)cc([C@@H](O)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000801539277 1235802532 /nfs/dbraw/zinc/80/25/32/1235802532.db2.gz WGAKZKFHQYKSNA-HNNXBMFYSA-N -1 0 330.340 2.381 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000850151377 1277066108 /nfs/dbraw/zinc/06/61/08/1277066108.db2.gz UIVVOESEJJAAEI-RDBSUJKOSA-N -1 0 348.355 2.039 20 5 EEBDRM COc1cc(OC)c(-c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)cn1 ZINC001216925822 1297334385 /nfs/dbraw/zinc/33/43/85/1297334385.db2.gz VVOSWDHSRXAWHU-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM Cc1nc(O[C@@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)c(F)c(=O)[n-]1 ZINC001226420547 1301402676 /nfs/dbraw/zinc/40/26/76/1301402676.db2.gz KSMULBUUIYWMAN-LURJTMIESA-N -1 0 337.263 2.407 20 5 EEBDRM O=c1[n-]c(C2CC2)nc(OC[C@@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC001228604994 1302334642 /nfs/dbraw/zinc/33/46/42/1302334642.db2.gz ZLZFVEJLLPMRLK-NSHDSACASA-N -1 0 329.312 2.350 20 5 EEBDRM CCOC(=O)C[C@@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228862161 1302488741 /nfs/dbraw/zinc/48/87/41/1302488741.db2.gz LPOANENRKBLOEY-ZCFIWIBFSA-N -1 0 338.238 2.435 20 5 EEBDRM CC1(C)OC[C@H](CCOc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])O1 ZINC001231225012 1303690253 /nfs/dbraw/zinc/69/02/53/1303690253.db2.gz UQGUZBRQRCUCJL-QMMMGPOBSA-N -1 0 328.277 2.129 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)C ZINC000781837071 1303876776 /nfs/dbraw/zinc/87/67/76/1303876776.db2.gz IWWPKHKOBWQIQO-QMMMGPOBSA-N -1 0 332.353 2.221 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCC1 ZINC000781843613 1303878849 /nfs/dbraw/zinc/87/88/49/1303878849.db2.gz FIBSNHOWTQVIFU-SECBINFHSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000835028571 1314894185 /nfs/dbraw/zinc/89/41/85/1314894185.db2.gz MMDVQWUYAXJOIM-YGRLFVJLSA-N -1 0 326.374 2.226 20 5 EEBDRM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000835276166 1314908808 /nfs/dbraw/zinc/90/88/08/1314908808.db2.gz KXBQHDPZWBRGMP-YMTOWFKASA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1c(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)cccc1[N+](=O)[O-] ZINC000835749426 1314945975 /nfs/dbraw/zinc/94/59/75/1314945975.db2.gz RNWNTZLFEBVQDR-SUNKGSAMSA-N -1 0 338.385 2.151 20 5 EEBDRM C[C@H]1SCCN(c2nnc(-c3cccc([O-])c3[N+](=O)[O-])n2C)[C@@H]1C ZINC001262891954 1322390778 /nfs/dbraw/zinc/39/07/78/1322390778.db2.gz LQMLFAXSMBZTNO-NXEZZACHSA-N -1 0 349.416 2.426 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccc(C(=O)[O-])o1 ZINC001601007150 1350187864 /nfs/dbraw/zinc/18/78/64/1350187864.db2.gz PEEKGXGSBGQFTB-UHFFFAOYSA-N -1 0 334.210 2.250 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC(F)(F)C(F)(F)C2)cc([N+](=O)[O-])c1 ZINC001602241893 1350474225 /nfs/dbraw/zinc/47/42/25/1350474225.db2.gz DFDYRSLKXKOOGL-UHFFFAOYSA-N -1 0 336.197 2.019 20 5 EEBDRM CC(C)(CCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)[N+](=O)[O-] ZINC001603591690 1350726328 /nfs/dbraw/zinc/72/63/28/1350726328.db2.gz PBXXVJGKAMKAQL-AGIUHOORSA-N -1 0 326.393 2.314 20 5 EEBDRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001605301814 1351130378 /nfs/dbraw/zinc/13/03/78/1351130378.db2.gz DMWGUAVRIOEZAU-NSHDSACASA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1cc(OC[C@H](O)COc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001607703259 1351542772 /nfs/dbraw/zinc/54/27/72/1351542772.db2.gz UBXZQEJFUWEJTK-CYBMUJFWSA-N -1 0 347.323 2.420 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCc2cnc3n2CCOC3)c([N+](=O)[O-])c1 ZINC001608661326 1351736769 /nfs/dbraw/zinc/73/67/69/1351736769.db2.gz SIZOLZPHFAWDTG-DUXPYHPUSA-N -1 0 344.327 2.031 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC001608905736 1351790990 /nfs/dbraw/zinc/79/09/90/1351790990.db2.gz OXSXPBITNZYTES-QWHCGFSZSA-N -1 0 328.280 2.397 20 5 EEBDRM O=C([O-])c1cnc(N2CCCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001608974592 1351806149 /nfs/dbraw/zinc/80/61/49/1351806149.db2.gz CICJFIHUVVYREJ-VXGBXAGGSA-N -1 0 335.360 2.331 20 5 EEBDRM O=C([O-])c1cnc(N2CCOc3cccc(F)c3C2)c([N+](=O)[O-])c1 ZINC001608974885 1351805911 /nfs/dbraw/zinc/80/59/11/1351805911.db2.gz CKCUAHDGCYNZRD-UHFFFAOYSA-N -1 0 333.275 2.226 20 5 EEBDRM O=C([O-])c1ncccc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001609000067 1351811465 /nfs/dbraw/zinc/81/14/65/1351811465.db2.gz IFTKCJCGWXUZSQ-NEPJUHHUSA-N -1 0 327.296 2.430 20 5 EEBDRM CN(C(=O)c1csc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC001609262959 1351914869 /nfs/dbraw/zinc/91/48/69/1351914869.db2.gz GIKLJTBPGOGCSV-UHFFFAOYSA-N -1 0 330.329 2.113 20 5 EEBDRM C[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001609848119 1352100563 /nfs/dbraw/zinc/10/05/63/1352100563.db2.gz SETVLKUMCGJTMR-VHSXEESVSA-N -1 0 342.373 2.008 20 5 EEBDRM CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CCSCC1 ZINC001352440004 1337947551 /nfs/dbraw/zinc/94/75/51/1337947551.db2.gz LVPLIPLSQJOYNW-UHFFFAOYSA-N -1 0 335.389 2.132 20 5 EEBDRM COc1cccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001610353815 1352209768 /nfs/dbraw/zinc/20/97/68/1352209768.db2.gz UDXOOXFPGRJYMX-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM Cc1cc(F)cc(C(=O)Nc2cccc(CC(=O)[O-])n2)c1[N+](=O)[O-] ZINC001610467176 1352227393 /nfs/dbraw/zinc/22/73/93/1352227393.db2.gz OZYHTQUBKFTMHS-UHFFFAOYSA-N -1 0 333.275 2.317 20 5 EEBDRM Cc1cnc(CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)o1 ZINC001610539471 1352241385 /nfs/dbraw/zinc/24/13/85/1352241385.db2.gz DZHQICHQIFUOCL-UHFFFAOYSA-N -1 0 334.288 2.220 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001610648691 1352257533 /nfs/dbraw/zinc/25/75/33/1352257533.db2.gz AJSJHGPVJAHFST-AWEZNQCLSA-N -1 0 348.286 2.169 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C[C@@H]21 ZINC001610803225 1352277697 /nfs/dbraw/zinc/27/76/97/1352277697.db2.gz JOLDMFJJKLZPLQ-HALDLXJZSA-N -1 0 348.358 2.084 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2cnn(-c3ncccn3)c2)c1 ZINC001610841480 1352283590 /nfs/dbraw/zinc/28/35/90/1352283590.db2.gz OFVWZRSELHZNFP-UHFFFAOYSA-N -1 0 326.272 2.012 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCN2C(=O)Cc3ccccc32)c1 ZINC001610841201 1352283641 /nfs/dbraw/zinc/28/36/41/1352283641.db2.gz NQIGKZUHWHLSSE-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNc2ncnc3cccc([N+](=O)[O-])c32)n1C ZINC001599998285 1349952478 /nfs/dbraw/zinc/95/24/78/1349952478.db2.gz OICAYDPNKWAHGJ-UHFFFAOYSA-N -1 0 341.327 2.495 20 5 EEBDRM Cc1c(NC(=O)NC[C@@H]2CC[C@H](C)O2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043546 1349961031 /nfs/dbraw/zinc/96/10/31/1349961031.db2.gz UMCPJOXSZUZFLY-KWQFWETISA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Oc2cccc(-n3ccnn3)c2)n1 ZINC001600107064 1349972705 /nfs/dbraw/zinc/97/27/05/1349972705.db2.gz XLGNOPNURAZZNR-UHFFFAOYSA-N -1 0 341.283 2.369 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001600304770 1350015748 /nfs/dbraw/zinc/01/57/48/1350015748.db2.gz LJJFYVVPZPYBRK-RABLLNBGSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1nn(C)c(N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)c1[N+](=O)[O-] ZINC001600774138 1350133538 /nfs/dbraw/zinc/13/35/38/1350133538.db2.gz GQYDNMQXIFMZJQ-XIRUVYRFSA-N -1 0 340.405 2.178 20 5 EEBDRM Cn1nc2ccccc2c1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001601019912 1350191935 /nfs/dbraw/zinc/19/19/35/1350191935.db2.gz ROGSMWNMUNQWCG-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM Nc1c(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc2ccccc2c1[N+](=O)[O-] ZINC001601207852 1350231235 /nfs/dbraw/zinc/23/12/35/1350231235.db2.gz WJVFIHHTALESLT-NSHDSACASA-N -1 0 341.323 2.233 20 5 EEBDRM O=C([O-])[C@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC001601342488 1350262140 /nfs/dbraw/zinc/26/21/40/1350262140.db2.gz BUEPAQNMYBINHY-OAHLLOKOSA-N -1 0 349.270 2.482 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001601856907 1350381746 /nfs/dbraw/zinc/38/17/46/1350381746.db2.gz AUFZIWJDINBBQN-VIFPVBQESA-N -1 0 348.739 2.030 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC001601894543 1350392009 /nfs/dbraw/zinc/39/20/09/1350392009.db2.gz GTYLECLKYVCVKL-VIFPVBQESA-N -1 0 342.298 2.033 20 5 EEBDRM O=C([O-])CC1CC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001601945275 1350402922 /nfs/dbraw/zinc/40/29/22/1350402922.db2.gz GVTYEHPSPTWWFH-UHFFFAOYSA-N -1 0 344.270 2.179 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC001601956066 1350405497 /nfs/dbraw/zinc/40/54/97/1350405497.db2.gz DSPXDRTXPOLKKM-LSDHHAIUSA-N -1 0 332.356 2.412 20 5 EEBDRM O=C([O-])Cc1ccccc1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001602145702 1350450659 /nfs/dbraw/zinc/45/06/59/1350450659.db2.gz WSNDTGYTVIITOC-UHFFFAOYSA-N -1 0 346.314 2.220 20 5 EEBDRM O=C([O-])c1cc(C(=O)NOCCOc2ccccc2)cc([N+](=O)[O-])c1 ZINC001602247475 1350476064 /nfs/dbraw/zinc/47/60/64/1350476064.db2.gz UCQYOVABMBWCLQ-UHFFFAOYSA-N -1 0 346.295 2.033 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1Cl ZINC001602298670 1350487578 /nfs/dbraw/zinc/48/75/78/1350487578.db2.gz DAFBEGUBQFBKLK-HBSDOPKDSA-N -1 0 326.736 2.154 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1cccc(F)n1 ZINC001602299054 1350488318 /nfs/dbraw/zinc/48/83/18/1350488318.db2.gz FGYJMOUBYZKKCC-UHFFFAOYSA-N -1 0 336.235 2.347 20 5 EEBDRM O=C([O-])c1cncc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)c1 ZINC001602540297 1350541702 /nfs/dbraw/zinc/54/17/02/1350541702.db2.gz OQTJBQGDBQUZEM-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM CC(C)(CCC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)[N+](=O)[O-] ZINC001603593342 1350727091 /nfs/dbraw/zinc/72/70/91/1350727091.db2.gz XZXNFTFXDPTKFD-UHFFFAOYSA-N -1 0 327.362 2.493 20 5 EEBDRM C[C@@](NC(=O)c1ccc(O)cc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604312621 1350913443 /nfs/dbraw/zinc/91/34/43/1350913443.db2.gz ATKTZQKBIPKAMP-INIZCTEOSA-N -1 0 348.286 2.169 20 5 EEBDRM CC1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC(F)(F)C1 ZINC001604579723 1350964317 /nfs/dbraw/zinc/96/43/17/1350964317.db2.gz YNBZTDNJDHOMFX-UHFFFAOYSA-N -1 0 328.271 2.458 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001604929167 1351033431 /nfs/dbraw/zinc/03/34/31/1351033431.db2.gz BXASHZQMLUBINF-IGJMFERPSA-N -1 0 326.324 2.453 20 5 EEBDRM CC[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)C(=O)[O-] ZINC001605120561 1351081388 /nfs/dbraw/zinc/08/13/88/1351081388.db2.gz RYUNRERZCAZVHJ-HZMBPMFUSA-N -1 0 347.327 2.437 20 5 EEBDRM CCNC(=O)c1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001605495745 1351171173 /nfs/dbraw/zinc/17/11/73/1351171173.db2.gz HTLCVYHLJFUXJG-UHFFFAOYSA-N -1 0 344.327 2.050 20 5 EEBDRM COC(=O)CC1(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCCC1 ZINC001606445631 1351303171 /nfs/dbraw/zinc/30/31/71/1351303171.db2.gz PIMNCJCODIYRIY-UHFFFAOYSA-N -1 0 337.332 2.223 20 5 EEBDRM CON(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(=O)[O-] ZINC001606984733 1351392284 /nfs/dbraw/zinc/39/22/84/1351392284.db2.gz NDLGCRAOXJPAHP-VHSXEESVSA-N -1 0 342.373 2.329 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC001607115467 1351425005 /nfs/dbraw/zinc/42/50/05/1351425005.db2.gz KLAVWCGZQSTVSO-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM Cc1cncc([N+](=O)[O-])c1N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001607911388 1351584892 /nfs/dbraw/zinc/58/48/92/1351584892.db2.gz IRKAHNLQOIXUCU-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM Cc1nccnc1CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001607991723 1351599382 /nfs/dbraw/zinc/59/93/82/1351599382.db2.gz VZHPZNIIUBWVHO-HYXAFXHYSA-N -1 0 328.328 2.446 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cn1 ZINC001608313796 1351669286 /nfs/dbraw/zinc/66/92/86/1351669286.db2.gz ZJLRYKGUNSQGJK-UHFFFAOYSA-N -1 0 331.284 2.096 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC001608363959 1351679710 /nfs/dbraw/zinc/67/97/10/1351679710.db2.gz PJWCFDSKFRSXOF-CQSZACIVSA-N -1 0 349.730 2.128 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780523328 1371164385 /nfs/dbraw/zinc/16/43/85/1371164385.db2.gz XYFRCXWIVWXLCK-OAHLLOKOSA-N -1 0 328.328 2.206 20 5 EEBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)CCC1CCCCC1)[N+](=O)[O-] ZINC000835942350 1372667141 /nfs/dbraw/zinc/66/71/41/1372667141.db2.gz RGPVVIMTVAHHSG-UHFFFAOYSA-N -1 0 334.438 2.238 20 5 EEBDRM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000910388516 786731596 /nfs/dbraw/zinc/73/15/96/786731596.db2.gz IXUWJPLCEQTTPJ-GFCCVEGCSA-N -1 0 342.355 2.403 20 5 EEBDRM CC(C)[C@@]1(CO)CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844218877 788907584 /nfs/dbraw/zinc/90/75/84/788907584.db2.gz SFPCISVKHBVMMS-KRWDZBQOSA-N -1 0 336.388 2.457 20 5 EEBDRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000797150152 800557894 /nfs/dbraw/zinc/55/78/94/800557894.db2.gz KVBCQOPBZWVMRU-SECBINFHSA-N -1 0 332.353 2.365 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)ccn1 ZINC000793112445 810149129 /nfs/dbraw/zinc/14/91/29/810149129.db2.gz MSEDQGIPYIWAGI-UHFFFAOYSA-N -1 0 349.368 2.034 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)C1(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000806027829 811723462 /nfs/dbraw/zinc/72/34/62/811723462.db2.gz SZRHONWSDKEWIC-UHFFFAOYSA-N -1 0 344.364 2.010 20 5 EEBDRM COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000324039583 939125682 /nfs/dbraw/zinc/12/56/82/939125682.db2.gz QYYRKCBHUVTVKM-CQSZACIVSA-N -1 0 330.296 2.159 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000324356044 939125737 /nfs/dbraw/zinc/12/57/37/939125737.db2.gz PVYOZTXRHJYRKG-CQSZACIVSA-N -1 0 329.312 2.220 20 5 EEBDRM O=C([O-])COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001602077182 971142151 /nfs/dbraw/zinc/14/21/51/971142151.db2.gz PPFAKVZQGQLNJJ-UHFFFAOYSA-N -1 0 330.296 2.448 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001589272621 953426501 /nfs/dbraw/zinc/42/65/01/953426501.db2.gz XBTFVKFXQLESLD-DTWKUNHWSA-N -1 0 325.296 2.308 20 5 EEBDRM CC(C)Oc1cc(C(=O)NC[C@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC001603080463 972151766 /nfs/dbraw/zinc/15/17/66/972151766.db2.gz QONGGVKJSTWJAE-LBPRGKRZSA-N -1 0 338.360 2.469 20 5 EEBDRM Cc1cc(NC(=O)CCCC(=O)[O-])n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594317171 958079464 /nfs/dbraw/zinc/07/94/64/958079464.db2.gz RBDYQDLYVZGQKQ-UHFFFAOYSA-N -1 0 332.316 2.282 20 5 EEBDRM COc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001594103873 958453225 /nfs/dbraw/zinc/45/32/25/958453225.db2.gz HICPVYPVFNESME-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001594217817 959342530 /nfs/dbraw/zinc/34/25/30/959342530.db2.gz AYJCNIZHFLUGIX-YMTOWFKASA-N -1 0 331.328 2.083 20 5 EEBDRM O=C([O-])c1ccsc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001574614177 962206270 /nfs/dbraw/zinc/20/62/70/962206270.db2.gz GZKBAQOJBLQOJR-UHFFFAOYSA-N -1 0 336.281 2.336 20 5 EEBDRM O=C([O-])c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccn21 ZINC001574609466 969866542 /nfs/dbraw/zinc/86/65/42/969866542.db2.gz URCBXIHPKTYXFM-UHFFFAOYSA-N -1 0 326.268 2.193 20 5 EEBDRM O=C([O-])c1c(NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccn21 ZINC001574609389 969866551 /nfs/dbraw/zinc/86/65/51/969866551.db2.gz RYUJKNUQJQDGPI-UHFFFAOYSA-N -1 0 326.268 2.193 20 5 EEBDRM Cc1cccc([C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001605327685 973169972 /nfs/dbraw/zinc/16/99/72/973169972.db2.gz FUWJENRXLGVXAU-INIZCTEOSA-N -1 0 343.339 2.257 20 5 EEBDRM CCOc1cc(NC(=O)N([C@H](C)C(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC001603860127 974361212 /nfs/dbraw/zinc/36/12/12/974361212.db2.gz OPVLGZWWIQDBFX-SECBINFHSA-N -1 0 337.332 2.463 20 5 EEBDRM CC(C)O[C@]1(COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CCOC1 ZINC001591697219 975544399 /nfs/dbraw/zinc/54/43/99/975544399.db2.gz XCTSTTNBMZMWAR-OAHLLOKOSA-N -1 0 325.317 2.256 20 5 EEBDRM CC(C)Oc1cc(C(=O)Nc2cc(C(=O)[O-])no2)ccc1[N+](=O)[O-] ZINC001591751517 975805477 /nfs/dbraw/zinc/80/54/77/975805477.db2.gz VRFGUXICAMBDDX-UHFFFAOYSA-N -1 0 335.272 2.321 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@@](C)(CCF)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591751694 975807264 /nfs/dbraw/zinc/80/72/64/975807264.db2.gz ZHSPESXIOCORHI-HNNXBMFYSA-N -1 0 342.323 2.315 20 5 EEBDRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001592192145 977141083 /nfs/dbraw/zinc/14/10/83/977141083.db2.gz DWUIMPBNKWFPNM-CTXMHQRVSA-N -1 0 342.735 2.161 20 5 EEBDRM C[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])N1CCCCC1=O ZINC001592729729 979245393 /nfs/dbraw/zinc/24/53/93/979245393.db2.gz PYTVCOQYSRHFQF-NSHDSACASA-N -1 0 335.360 2.035 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000864200409 979877172 /nfs/dbraw/zinc/87/71/72/979877172.db2.gz XRKPWCNKZKQHPB-KRWDZBQOSA-N -1 0 345.355 2.378 20 5 EEBDRM C[C@](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001593044552 980333003 /nfs/dbraw/zinc/33/30/03/980333003.db2.gz PXOUMVGWTPRQKI-QGZVFWFLSA-N -1 0 346.314 2.393 20 5 EEBDRM CCC[C@H](NC(=O)Cn1cc([N+](=O)[O-])c(C(=O)[O-])n1)c1ccccc1 ZINC001595598808 981569635 /nfs/dbraw/zinc/56/96/35/981569635.db2.gz OAJWBLUPYUJTRF-LBPRGKRZSA-N -1 0 346.343 2.147 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594901815 982358830 /nfs/dbraw/zinc/35/88/30/982358830.db2.gz JSINPFJYNXUOBA-ISVAXAHUSA-N -1 0 344.751 2.243 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001595849062 982778891 /nfs/dbraw/zinc/77/88/91/982778891.db2.gz FLZNFWDPQZEYSR-UHFFFAOYSA-N -1 0 332.259 2.133 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC001589000635 984940919 /nfs/dbraw/zinc/94/09/19/984940919.db2.gz CJCDQOOEZGQZGI-NKSUMMKUSA-N -1 0 341.323 2.335 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001589000819 984941553 /nfs/dbraw/zinc/94/15/53/984941553.db2.gz DTAAIUYHKSHDMD-FDCWHWSQSA-N -1 0 330.340 2.464 20 5 EEBDRM Cc1[nH]c(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC001599959784 985759176 /nfs/dbraw/zinc/75/91/76/985759176.db2.gz IAJSBWGLDXVZHO-UHFFFAOYSA-N -1 0 346.295 2.278 20 5 EEBDRM CCOc1cc(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC001597041868 986489883 /nfs/dbraw/zinc/48/98/83/986489883.db2.gz GQJZDIIMIFEPRG-NSHDSACASA-N -1 0 337.332 2.368 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CCC1 ZINC001589476670 986976464 /nfs/dbraw/zinc/97/64/64/986976464.db2.gz FQYQVAQKYZYVCI-ZETCQYMHSA-N -1 0 328.271 2.341 20 5 EEBDRM CC[C@@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1cccc([N+](=O)[O-])c1 ZINC001597286158 987366200 /nfs/dbraw/zinc/36/62/00/987366200.db2.gz NQZWTPWGTCTFMT-CQSZACIVSA-N -1 0 343.339 2.498 20 5 EEBDRM CCc1[nH]nc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c1[N+](=O)[O-] ZINC001597399940 987659324 /nfs/dbraw/zinc/65/93/24/987659324.db2.gz PQKRFPAISABFDC-UHFFFAOYSA-N -1 0 329.272 2.296 20 5 EEBDRM CCc1[nH]nc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1[N+](=O)[O-] ZINC001597400010 987660511 /nfs/dbraw/zinc/66/05/11/987660511.db2.gz RCBHYRROGDDFDU-SSDOTTSWSA-N -1 0 337.288 2.398 20 5 EEBDRM CC(C)(C)c1ccc(NC(=O)NCCOCC(=O)[O-])cc1[N+](=O)[O-] ZINC001590494623 990102342 /nfs/dbraw/zinc/10/23/42/990102342.db2.gz YJLSMSGIXGVDRC-UHFFFAOYSA-N -1 0 339.348 2.115 20 5 EEBDRM COc1ccccc1C[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)C(=O)[O-] ZINC001599710594 991364174 /nfs/dbraw/zinc/36/41/74/991364174.db2.gz PUVXPFOVDONWGW-LBPRGKRZSA-N -1 0 346.343 2.057 20 5 EEBDRM CN(C)c1cccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n1 ZINC001598340851 991398246 /nfs/dbraw/zinc/39/82/46/991398246.db2.gz RJIVWUGIYJPPMF-KRWDZBQOSA-N -1 0 344.371 2.145 20 5 EEBDRM C[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599774548 992285639 /nfs/dbraw/zinc/28/56/39/992285639.db2.gz BDSLXWOMRZWOGK-BAGVQZLWSA-N -1 0 340.401 2.324 20 5 EEBDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC001591428903 992521496 /nfs/dbraw/zinc/52/14/96/992521496.db2.gz TVNMVUKBOAVLEG-VIFPVBQESA-N -1 0 326.353 2.013 20 5 EEBDRM CC(C)C[C@@H]1C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001591448513 992552593 /nfs/dbraw/zinc/55/25/93/992552593.db2.gz NQCBRZYOUHZGHX-BXKDBHETSA-N -1 0 342.373 2.006 20 5 EEBDRM CN1C(=O)COc2ccc(Nc3cc(C(=O)[O-])ccc3[N+](=O)[O-])cc21 ZINC001598553755 993032051 /nfs/dbraw/zinc/03/20/51/993032051.db2.gz VUSWCJPECVGMJV-UHFFFAOYSA-N -1 0 343.295 2.392 20 5 EEBDRM COc1ccc(OC(=O)c2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001599600408 993807900 /nfs/dbraw/zinc/80/79/00/993807900.db2.gz KAHPAXMPZLOYOO-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NCCc2ccco2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169757 994022647 /nfs/dbraw/zinc/02/26/47/994022647.db2.gz DXUAZTHKRHUNHZ-JTQLQIEISA-N -1 0 347.327 2.045 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccc[nH]2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170748 994027862 /nfs/dbraw/zinc/02/78/62/994027862.db2.gz OOVMNJWOXRGFOW-NXEZZACHSA-N -1 0 346.343 2.299 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001599622494 994102802 /nfs/dbraw/zinc/10/28/02/994102802.db2.gz PSCPDOFAJXUMBJ-KRWDZBQOSA-N -1 0 345.355 2.478 20 5 EEBDRM COC(=O)[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC001598702779 995245790 /nfs/dbraw/zinc/24/57/90/995245790.db2.gz AAOAYSPDKGFLJI-GFCCVEGCSA-N -1 0 338.360 2.469 20 5 EEBDRM CC1(C)CC[C@@H](CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)OC1 ZINC001593878419 996704050 /nfs/dbraw/zinc/70/40/50/996704050.db2.gz QSFGMEWWEVHRBM-ZDUSSCGKSA-N -1 0 336.344 2.228 20 5 EEBDRM CON(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CC(=O)[O-] ZINC001599310577 997408392 /nfs/dbraw/zinc/40/83/92/997408392.db2.gz TZAGVJLDPHDUHV-SECBINFHSA-N -1 0 344.751 2.434 20 5 EEBDRM COc1ccc([C@H](NCc2csc([N+](=O)[O-])c2)C(=O)[O-])cc1O ZINC001599532380 997680392 /nfs/dbraw/zinc/68/03/92/997680392.db2.gz SLNDJDHHCMMBJN-ZDUSSCGKSA-N -1 0 338.341 2.286 20 5 EEBDRM COc1c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC001599328222 997702498 /nfs/dbraw/zinc/70/24/98/997702498.db2.gz FVLMOCGUZFLMPF-NTZNESFSSA-N -1 0 348.355 2.319 20 5 EEBDRM CO[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@](C)(C(=O)[O-])C1 ZINC001599135585 998035704 /nfs/dbraw/zinc/03/57/04/998035704.db2.gz VVDMMQFEVKBBOT-BXUZGUMPSA-N -1 0 328.752 2.312 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001599461839 998285306 /nfs/dbraw/zinc/28/53/06/998285306.db2.gz CYFJVVMTEOJTIX-AWEZNQCLSA-N -1 0 338.360 2.058 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)CC(=O)[O-])cc1SC ZINC001599462035 998289800 /nfs/dbraw/zinc/28/98/00/998289800.db2.gz HQUMZJOXZWBILX-ZETCQYMHSA-N -1 0 329.330 2.345 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001594156593 998570835 /nfs/dbraw/zinc/57/08/35/998570835.db2.gz NHOYVJUDFUMJEZ-UWVGGRQHSA-N -1 0 344.327 2.470 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCCC[C@H]2C(=O)[O-])c1 ZINC001598987950 998711485 /nfs/dbraw/zinc/71/14/85/998711485.db2.gz LAATTZHRQSZKHM-AWEZNQCLSA-N -1 0 336.344 2.211 20 5 EEBDRM C[C@H]1C[C@H](CO)CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594243249 998924445 /nfs/dbraw/zinc/92/44/45/998924445.db2.gz NFVFPFACTWYICG-IUCAKERBSA-N -1 0 328.752 2.401 20 5 EEBDRM Cn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CCCC(F)(F)C1 ZINC001519613988 1119093008 /nfs/dbraw/zinc/09/30/08/1119093008.db2.gz JTGYNUAFCKREHC-UHFFFAOYSA-N -1 0 339.302 2.331 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C)c(C)nn2)c1C ZINC000446824251 242224200 /nfs/dbraw/zinc/22/42/00/242224200.db2.gz SNZOSIKWJGWJCK-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1 ZINC000447341816 242269617 /nfs/dbraw/zinc/26/96/17/242269617.db2.gz QTZLMNFLTUGSED-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM C[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H](C(=O)[O-])C1 ZINC000263046010 245308399 /nfs/dbraw/zinc/30/83/99/245308399.db2.gz PPJINBLCIGOKKH-ABAIWWIYSA-N -1 0 345.355 2.261 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@@H]1C(=O)[O-] ZINC000263071030 245318917 /nfs/dbraw/zinc/31/89/17/245318917.db2.gz UFEKBDMLMAHSLM-MNOVXSKESA-N -1 0 343.339 2.326 20 5 EEBDRM CCn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000078982778 217164385 /nfs/dbraw/zinc/16/43/85/217164385.db2.gz QJCJLAHAUDUYBH-UHFFFAOYSA-N -1 0 330.753 2.265 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)OC(C)C ZINC000265139996 247241822 /nfs/dbraw/zinc/24/18/22/247241822.db2.gz LJNDONPKNFXMAI-LBPRGKRZSA-N -1 0 338.360 2.397 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)Cc1ccccc1 ZINC000179547734 255924822 /nfs/dbraw/zinc/92/48/22/255924822.db2.gz ORYKFPKCMYATBX-BZNIZROVSA-N -1 0 330.340 2.022 20 5 EEBDRM O=C(COCC(F)(F)F)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000154597111 224277225 /nfs/dbraw/zinc/27/72/25/224277225.db2.gz BXCHOFALATWWBF-UHFFFAOYSA-N -1 0 328.630 2.471 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000273363382 256290343 /nfs/dbraw/zinc/29/03/43/256290343.db2.gz BGBRYOHXPPAJGL-UHFFFAOYSA-N -1 0 339.304 2.057 20 5 EEBDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000262831893 152325051 /nfs/dbraw/zinc/32/50/51/152325051.db2.gz BRXARNCYKVPRSY-SNVBAGLBSA-N -1 0 346.343 2.353 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000263161268 152390899 /nfs/dbraw/zinc/39/08/99/152390899.db2.gz JRUFQXGLEGOTLV-KCJUWKMLSA-N -1 0 326.736 2.112 20 5 EEBDRM CCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1[N+](=O)[O-] ZINC000263186590 152397246 /nfs/dbraw/zinc/39/72/46/152397246.db2.gz KUBNGSRTNUZPBB-PWSUYJOCSA-N -1 0 336.344 2.319 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1cc(F)ccc1F ZINC000104752676 159291070 /nfs/dbraw/zinc/29/10/70/159291070.db2.gz ZHIURHSBXHRVTE-UHFFFAOYSA-N -1 0 346.286 2.491 20 5 EEBDRM CCc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc(=O)[nH]1 ZINC000182678627 159961600 /nfs/dbraw/zinc/96/16/00/159961600.db2.gz FRRNDEMEGVCNQC-UHFFFAOYSA-N -1 0 337.719 2.457 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)Cc2cccc([N+](=O)[O-])c2C)s[n-]1 ZINC000338017997 160694290 /nfs/dbraw/zinc/69/42/90/160694290.db2.gz LMVMFPOZHKVNFB-SECBINFHSA-N -1 0 336.373 2.065 20 5 EEBDRM COCC[C@@H](Cc1ccco1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000345324858 161292298 /nfs/dbraw/zinc/29/22/98/161292298.db2.gz RNXMKBFWBKYKFD-LBPRGKRZSA-N -1 0 334.328 2.271 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c(F)c1 ZINC000359647003 164144461 /nfs/dbraw/zinc/14/44/61/164144461.db2.gz LAXPDCDBILVWGJ-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000359654896 164146171 /nfs/dbraw/zinc/14/61/71/164146171.db2.gz XIJMABLEJOSKTI-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1nccn1-c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000360665602 164360168 /nfs/dbraw/zinc/36/01/68/164360168.db2.gz WZWCBUSJPVYMGH-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM O=C(NC[C@@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000369289384 166229163 /nfs/dbraw/zinc/22/91/63/166229163.db2.gz ZKPZXCVCZZRWBH-INIZCTEOSA-N -1 0 328.324 2.344 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000261665592 287583250 /nfs/dbraw/zinc/58/32/50/287583250.db2.gz LAYPAOXWDDIMRG-NSHDSACASA-N -1 0 346.343 2.106 20 5 EEBDRM Cn1nc([C@H]2CCCO2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000279267438 269265192 /nfs/dbraw/zinc/26/51/92/269265192.db2.gz IZVLWHCXHITGOD-CYBMUJFWSA-N -1 0 332.316 2.138 20 5 EEBDRM O=C(NC1CCN(c2nccs2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000281787378 269445630 /nfs/dbraw/zinc/44/56/30/269445630.db2.gz VJNXBSSPLFPIRO-UHFFFAOYSA-N -1 0 348.384 2.156 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000287924796 275006532 /nfs/dbraw/zinc/00/65/32/275006532.db2.gz QLSWHTVIOIGKEC-CYBMUJFWSA-N -1 0 348.277 2.220 20 5 EEBDRM CN(CC(F)(F)Br)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000288396076 275053990 /nfs/dbraw/zinc/05/39/90/275053990.db2.gz WGXWVLCVKCVEGA-UHFFFAOYSA-N -1 0 339.092 2.360 20 5 EEBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000237557556 300484424 /nfs/dbraw/zinc/48/44/24/300484424.db2.gz PQSIBUZPMYSMIS-RYUDHWBXSA-N -1 0 349.387 2.282 20 5 EEBDRM Cc1c(CNC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000326629968 311604175 /nfs/dbraw/zinc/60/41/75/311604175.db2.gz UOPHCYBKSKLALO-SECBINFHSA-N -1 0 349.265 2.108 20 5 EEBDRM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000416503148 313240565 /nfs/dbraw/zinc/24/05/65/313240565.db2.gz OLTDEBIYODZWSD-JTQLQIEISA-N -1 0 346.380 2.217 20 5 EEBDRM CCOC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000436721182 314992181 /nfs/dbraw/zinc/99/21/81/314992181.db2.gz VQYKSFWEZPFJHA-UHFFFAOYSA-N -1 0 337.313 2.186 20 5 EEBDRM O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436963887 315017359 /nfs/dbraw/zinc/01/73/59/315017359.db2.gz DWMXEUGOFUQCEX-UHFFFAOYSA-N -1 0 342.307 2.448 20 5 EEBDRM CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](CC)CN1C(C)=O ZINC000436967529 315018075 /nfs/dbraw/zinc/01/80/75/315018075.db2.gz PUASRQWMJLLXOT-STQMWFEESA-N -1 0 349.387 2.162 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC2 ZINC000436977730 315018651 /nfs/dbraw/zinc/01/86/51/315018651.db2.gz SKGFCLYZCIMBQW-ZDUSSCGKSA-N -1 0 344.371 2.365 20 5 EEBDRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000493204881 315909257 /nfs/dbraw/zinc/90/92/57/315909257.db2.gz JQGWDDKJEUTTDA-YKDCJXRZSA-N -1 0 336.319 2.459 20 5 EEBDRM O=C([O-])CC1(NC(=O)CNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000532000134 317833672 /nfs/dbraw/zinc/83/36/72/317833672.db2.gz FHKOYUWBLZLNAR-UHFFFAOYSA-N -1 0 335.360 2.301 20 5 EEBDRM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000547922547 318333983 /nfs/dbraw/zinc/33/39/83/318333983.db2.gz GCPFDLUDHUCQGC-MFKMUULPSA-N -1 0 344.389 2.023 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@]3(CCCOC3)C2)n1 ZINC000563887929 319052788 /nfs/dbraw/zinc/05/27/88/319052788.db2.gz DQCDZVODVXCDSV-INIZCTEOSA-N -1 0 335.360 2.393 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000566294256 319270801 /nfs/dbraw/zinc/27/08/01/319270801.db2.gz BRSLYPDYIPRBQL-ZDUSSCGKSA-N -1 0 329.312 2.266 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000567984992 319441776 /nfs/dbraw/zinc/44/17/76/319441776.db2.gz GOARRFKTSPDPOC-SNVBAGLBSA-N -1 0 333.369 2.397 20 5 EEBDRM CC[C@H](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000567990459 319442183 /nfs/dbraw/zinc/44/21/83/319442183.db2.gz MWXOEVYGELMGMR-CABZTGNLSA-N -1 0 344.389 2.071 20 5 EEBDRM O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000575408761 320104753 /nfs/dbraw/zinc/10/47/53/320104753.db2.gz ZIXGGNCCXCMYKC-MKPLZMMCSA-N -1 0 326.736 2.251 20 5 EEBDRM C[C@@H]1[C@H](CO)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578535280 323649773 /nfs/dbraw/zinc/64/97/73/323649773.db2.gz HBSPWVMITCGIMM-BDAKNGLRSA-N -1 0 328.752 2.187 20 5 EEBDRM C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000580649081 324104773 /nfs/dbraw/zinc/10/47/73/324104773.db2.gz NSVJIUGDLSWQKG-JTQLQIEISA-N -1 0 329.312 2.476 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCSC[C@@H]1C(=O)[O-] ZINC000581500088 324267283 /nfs/dbraw/zinc/26/72/83/324267283.db2.gz FFRFLVUUBWXFGA-CYBMUJFWSA-N -1 0 340.401 2.384 20 5 EEBDRM CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581862696 324330272 /nfs/dbraw/zinc/33/02/72/324330272.db2.gz VECQCLHNZJCNMI-UHFFFAOYSA-N -1 0 336.325 2.118 20 5 EEBDRM Cc1cc(N[C@@H](C)[C@@H](C)N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582124503 324385727 /nfs/dbraw/zinc/38/57/27/324385727.db2.gz HTPPUWHKZGJMSB-NWDGAFQWSA-N -1 0 337.376 2.123 20 5 EEBDRM CCc1ccc(S(=O)(=O)N(CC)[C@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000582731063 324515509 /nfs/dbraw/zinc/51/55/09/324515509.db2.gz QGSXJPAYGPNPJJ-SNVBAGLBSA-N -1 0 344.389 2.031 20 5 EEBDRM CS(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000356322897 465311200 /nfs/dbraw/zinc/31/12/00/465311200.db2.gz PREZFNUSRAAXCU-UHFFFAOYSA-N -1 0 342.354 2.018 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(c2ccncn2)CC1 ZINC000298510151 465416405 /nfs/dbraw/zinc/41/64/05/465416405.db2.gz VWMFFRSEQUNLBF-UHFFFAOYSA-N -1 0 328.328 2.110 20 5 EEBDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007708609 462747263 /nfs/dbraw/zinc/74/72/63/462747263.db2.gz NBNBRPZAWZDOJF-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM Cc1ccnc([C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C2CC2)n1 ZINC000134317579 463025416 /nfs/dbraw/zinc/02/54/16/463025416.db2.gz KTYCCBSBICLVAI-CQSZACIVSA-N -1 0 328.328 2.280 20 5 EEBDRM CCOc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000021363262 463036024 /nfs/dbraw/zinc/03/60/24/463036024.db2.gz NPYUPYAMZXSOHF-UHFFFAOYSA-N -1 0 338.341 2.500 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1onc(C)c1C ZINC000151386936 463522782 /nfs/dbraw/zinc/52/27/82/463522782.db2.gz QNYYNVRRECNTAM-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000164615379 463627924 /nfs/dbraw/zinc/62/79/24/463627924.db2.gz BSTUTRCDYNBXJY-JTQLQIEISA-N -1 0 329.312 2.057 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccccc2[C@H]1CO ZINC000170084049 463675604 /nfs/dbraw/zinc/67/56/04/463675604.db2.gz VPTJJVMCAZHBKE-OAHLLOKOSA-N -1 0 328.324 2.032 20 5 EEBDRM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cncc(O)c1 ZINC000111588487 463680018 /nfs/dbraw/zinc/68/00/18/463680018.db2.gz KFYAPDUSWBVWKF-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM O=C(CNC(=O)c1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000194053792 463781144 /nfs/dbraw/zinc/78/11/44/463781144.db2.gz SWKSYZYTARQYHE-UHFFFAOYSA-N -1 0 349.730 2.322 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(O)(c2ccccc2)CC1 ZINC000185855580 463892317 /nfs/dbraw/zinc/89/23/17/463892317.db2.gz AZLUCEKSYCAXHR-UHFFFAOYSA-N -1 0 342.351 2.424 20 5 EEBDRM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[nH]1 ZINC000278039530 463942217 /nfs/dbraw/zinc/94/22/17/463942217.db2.gz ZEELIJFPYDYQOC-BDAKNGLRSA-N -1 0 333.348 2.423 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cn2)ccc1[N+](=O)[O-] ZINC000172213121 464018557 /nfs/dbraw/zinc/01/85/57/464018557.db2.gz CPADGKVBFINHTK-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM CCc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262409968 464020471 /nfs/dbraw/zinc/02/04/71/464020471.db2.gz IWHIZXINMHGPHM-ZDUSSCGKSA-N -1 0 332.356 2.484 20 5 EEBDRM CC(C)c1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000263520665 464122617 /nfs/dbraw/zinc/12/26/17/464122617.db2.gz HCKROHIVYWLOBG-GFCCVEGCSA-N -1 0 336.344 2.034 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1nc(C(C)(C)C)no1 ZINC000179526514 464152746 /nfs/dbraw/zinc/15/27/46/464152746.db2.gz KLINQXLVVOALSD-QMMMGPOBSA-N -1 0 334.332 2.472 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1n1ccnc1 ZINC000182106704 464572336 /nfs/dbraw/zinc/57/23/36/464572336.db2.gz RCRAMAMZRLUTTR-BXUZGUMPSA-N -1 0 330.344 2.220 20 5 EEBDRM CN1C(=O)CCc2cc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc21 ZINC000183571306 464879925 /nfs/dbraw/zinc/87/99/25/464879925.db2.gz DLZZCALBRTYCSF-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM CCOC(=O)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000298387810 465381124 /nfs/dbraw/zinc/38/11/24/465381124.db2.gz QBZFEUGECWRRII-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM COc1ccc2c(c1)C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000362315693 465652124 /nfs/dbraw/zinc/65/21/24/465652124.db2.gz DAOMJLXJTIQXAR-LLVKDONJSA-N -1 0 344.323 2.499 20 5 EEBDRM O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000357099620 465771690 /nfs/dbraw/zinc/77/16/90/465771690.db2.gz LZXMENXCGYSPCS-UHFFFAOYSA-N -1 0 325.280 2.394 20 5 EEBDRM C[C@H]1CCCN(c2ccc(C(=O)N(C)CCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000362599271 465868367 /nfs/dbraw/zinc/86/83/67/465868367.db2.gz AOBBSFDWSPSUDH-LBPRGKRZSA-N -1 0 349.387 2.378 20 5 EEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccco2)c(C)c([N+](=O)[O-])c1 ZINC000362661675 465918770 /nfs/dbraw/zinc/91/87/70/465918770.db2.gz GILCOGSOAXDLFJ-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM CCOC1CC2(C1)CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC000597160894 468464940 /nfs/dbraw/zinc/46/49/40/468464940.db2.gz FKEMSIDTCQKZKG-UHFFFAOYSA-N -1 0 348.355 2.324 20 5 EEBDRM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000357554168 466128642 /nfs/dbraw/zinc/12/86/42/466128642.db2.gz VRICROKHFIXNFY-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM CCOc1ccc(OC)cc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000362108083 466562304 /nfs/dbraw/zinc/56/23/04/466562304.db2.gz ZJZWNCZZVAYTBQ-UHFFFAOYSA-N -1 0 333.300 2.355 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2noc(C)c2C)ccc1[N+](=O)[O-] ZINC000451052661 467235506 /nfs/dbraw/zinc/23/55/06/467235506.db2.gz YDXMCNWRRIXEGP-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H](CC)CN1C(C)=O ZINC000436791445 467554735 /nfs/dbraw/zinc/55/47/35/467554735.db2.gz JNYMUNRIIJAACW-OLZOCXBDSA-N -1 0 349.387 2.162 20 5 EEBDRM CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493466920 467917564 /nfs/dbraw/zinc/91/75/64/467917564.db2.gz ODKOFIQSQKCRTK-GQCTYLIASA-N -1 0 342.348 2.136 20 5 EEBDRM CC(C)c1nnc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])n1C ZINC000514733693 467951935 /nfs/dbraw/zinc/95/19/35/467951935.db2.gz XXNHXJUTTKENMC-UHFFFAOYSA-N -1 0 333.348 2.086 20 5 EEBDRM C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000569931691 468565745 /nfs/dbraw/zinc/56/57/45/468565745.db2.gz IABKSNGQZFMVQC-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM C[C@H]1CCCCN1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000594570763 468623942 /nfs/dbraw/zinc/62/39/42/468623942.db2.gz WCLXICRRQCBFMX-SMDDNHRTSA-N -1 0 335.360 2.175 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@@H]([C@@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000594735637 468667707 /nfs/dbraw/zinc/66/77/07/468667707.db2.gz LXJCSTDNHIFINB-RISCZKNCSA-N -1 0 335.360 2.474 20 5 EEBDRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000600872523 468672322 /nfs/dbraw/zinc/67/23/22/468672322.db2.gz QHZJOPISWCKYJG-CQSZACIVSA-N -1 0 336.344 2.228 20 5 EEBDRM Cc1ccoc1CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600881721 468674201 /nfs/dbraw/zinc/67/42/01/468674201.db2.gz PKOPRTKLHYVBOU-MRXNPFEDSA-N -1 0 332.312 2.155 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000600883210 468675689 /nfs/dbraw/zinc/67/56/89/468675689.db2.gz XZZPDZMOHZWMBD-OUCADQQQSA-N -1 0 347.371 2.109 20 5 EEBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)C[C@@H](OC)C(C)C ZINC000592381813 468686419 /nfs/dbraw/zinc/68/64/19/468686419.db2.gz FVWAXFRKUVBVTK-CQSZACIVSA-N -1 0 346.405 2.154 20 5 EEBDRM CCCC[C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000583384832 468689831 /nfs/dbraw/zinc/68/98/31/468689831.db2.gz JFFVCBKXZBNFOL-JTQLQIEISA-N -1 0 344.389 2.492 20 5 EEBDRM CC(C)c1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000592467509 468704522 /nfs/dbraw/zinc/70/45/22/468704522.db2.gz VZDHTTCHYSBUPH-UHFFFAOYSA-N -1 0 332.316 2.252 20 5 EEBDRM Cc1cc(N2CC[C@@H](c3cnn(C)c3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571093871 468738372 /nfs/dbraw/zinc/73/83/72/468738372.db2.gz VBLFUVAOHKNQEH-LLVKDONJSA-N -1 0 330.344 2.329 20 5 EEBDRM CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(C(=O)[O-])CCCC1 ZINC000571345096 468774278 /nfs/dbraw/zinc/77/42/78/468774278.db2.gz MGSJQCNQPOCYKJ-UHFFFAOYSA-N -1 0 346.343 2.474 20 5 EEBDRM COc1cc(C(=O)N=c2nc(CC(C)C)[n-]s2)ccc1[N+](=O)[O-] ZINC000598191564 468791263 /nfs/dbraw/zinc/79/12/63/468791263.db2.gz PRVKDXIVOGUTGH-UHFFFAOYSA-N -1 0 336.373 2.328 20 5 EEBDRM C[C@H]1CC[C@@](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC000595242785 468791388 /nfs/dbraw/zinc/79/13/88/468791388.db2.gz ABQQQBJTIJNJSV-QASKLWRZSA-N -1 0 349.387 2.181 20 5 EEBDRM CCOC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)o1 ZINC000610638966 469024742 /nfs/dbraw/zinc/02/47/42/469024742.db2.gz UYBOCEXPWACKNE-UHFFFAOYSA-N -1 0 334.284 2.000 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000595973446 469103972 /nfs/dbraw/zinc/10/39/72/469103972.db2.gz NOITWPOKPJCZKJ-JQWIXIFHSA-N -1 0 347.371 2.177 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000595978808 469104708 /nfs/dbraw/zinc/10/47/08/469104708.db2.gz PAYBPCXMZSZOLO-MQOMDTIOSA-N -1 0 334.250 2.250 20 5 EEBDRM CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C1CC1 ZINC000596091525 469152345 /nfs/dbraw/zinc/15/23/45/469152345.db2.gz MCYWFUCHTHLPPU-ZDUSSCGKSA-N -1 0 342.373 2.006 20 5 EEBDRM O=c1[n-]c(CCCNc2c(Br)cccc2[N+](=O)[O-])n[nH]1 ZINC000596146216 469174056 /nfs/dbraw/zinc/17/40/56/469174056.db2.gz VVYDMBDYAVXMGM-UHFFFAOYSA-N -1 0 342.153 2.226 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563192834 469194112 /nfs/dbraw/zinc/19/41/12/469194112.db2.gz ANTCXSHUPZVKEY-ZWNOBZJWSA-N -1 0 326.736 2.251 20 5 EEBDRM COCCOC[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000563205281 469198896 /nfs/dbraw/zinc/19/88/96/469198896.db2.gz UAKTUNWUPRRXPD-GFCCVEGCSA-N -1 0 338.360 2.091 20 5 EEBDRM O=C(Nc1ccc(-c2nc[nH]n2)cc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000619252851 469559725 /nfs/dbraw/zinc/55/97/25/469559725.db2.gz PORMCNAEGYMAIO-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1F ZINC000613985540 469826785 /nfs/dbraw/zinc/82/67/85/469826785.db2.gz SEULHINHIKMLGO-CQSZACIVSA-N -1 0 348.286 2.084 20 5 EEBDRM Cc1cnc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000154096212 534588910 /nfs/dbraw/zinc/58/89/10/534588910.db2.gz DGPNTALVRJLHNC-UHFFFAOYSA-N -1 0 327.387 2.344 20 5 EEBDRM Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)sc1C(=O)[O-] ZINC000738428418 578014496 /nfs/dbraw/zinc/01/44/96/578014496.db2.gz UMZRTJNJDMUERT-UHFFFAOYSA-N -1 0 338.345 2.197 20 5 EEBDRM C[C@@H](OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000737752349 576078143 /nfs/dbraw/zinc/07/81/43/576078143.db2.gz REJMORTVCAIALP-LLVKDONJSA-N -1 0 336.344 2.461 20 5 EEBDRM COc1ccc(NC(=O)[C@@H](C)SC[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000738027008 576724007 /nfs/dbraw/zinc/72/40/07/576724007.db2.gz SJGVSPIZDFZYOC-DTWKUNHWSA-N -1 0 342.373 2.384 20 5 EEBDRM COC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000773073913 577314183 /nfs/dbraw/zinc/31/41/83/577314183.db2.gz QYVYCESHXQBHLV-UHFFFAOYSA-N -1 0 330.296 2.120 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000734708873 577322446 /nfs/dbraw/zinc/32/24/46/577322446.db2.gz JXIKGQPMAMOERE-MRVPVSSYSA-N -1 0 332.353 2.221 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](O)c1cccc(F)c1 ZINC000777534559 577480786 /nfs/dbraw/zinc/48/07/86/577480786.db2.gz RJJADWJSQRYZRC-YMTOWFKASA-N -1 0 334.303 2.291 20 5 EEBDRM CN(C)C(=O)c1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000770397330 577595428 /nfs/dbraw/zinc/59/54/28/577595428.db2.gz ADLHMCBDUBSZMI-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM O=C([O-])c1coc(COC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000739252076 578045754 /nfs/dbraw/zinc/04/57/54/578045754.db2.gz UNLLBIKMFHWJJH-UHFFFAOYSA-N -1 0 334.284 2.431 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC000739345599 578049265 /nfs/dbraw/zinc/04/92/65/578049265.db2.gz HKPVGEQEZAGVDL-UHFFFAOYSA-N -1 0 345.267 2.382 20 5 EEBDRM O=C([O-])COc1cccc(CNC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000739832265 578069343 /nfs/dbraw/zinc/06/93/43/578069343.db2.gz CBKICLJMCHKTSL-UHFFFAOYSA-N -1 0 336.325 2.050 20 5 EEBDRM O=C([O-])c1ccc(OCCNc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000740168413 578083717 /nfs/dbraw/zinc/08/37/17/578083717.db2.gz VDORPRUONRGSGC-UHFFFAOYSA-N -1 0 342.311 2.432 20 5 EEBDRM CSCCCCC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000740528551 578097389 /nfs/dbraw/zinc/09/73/89/578097389.db2.gz SNPGBNYAAZBJOU-UHFFFAOYSA-N -1 0 346.430 2.074 20 5 EEBDRM CC(C)n1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)n1 ZINC000735966809 578175625 /nfs/dbraw/zinc/17/56/25/578175625.db2.gz WQPJAVOFMQHMRC-UHFFFAOYSA-N -1 0 328.336 2.164 20 5 EEBDRM C[C@H](CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000736614699 578213988 /nfs/dbraw/zinc/21/39/88/578213988.db2.gz XUGVDKNQGOEFMU-SECBINFHSA-N -1 0 340.357 2.347 20 5 EEBDRM C[C@@H]1Oc2ccc(Nc3nccc(C(=O)[O-])c3[N+](=O)[O-])cc2NC1=O ZINC000737764353 578269245 /nfs/dbraw/zinc/26/92/45/578269245.db2.gz FPYTXUJOPWVSJE-ZETCQYMHSA-N -1 0 344.283 2.151 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000819370742 597094209 /nfs/dbraw/zinc/09/42/09/597094209.db2.gz PCQYTFBMQQXSBI-JTQLQIEISA-N -1 0 331.328 2.403 20 5 EEBDRM O=C([O-])CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000819513132 597444924 /nfs/dbraw/zinc/44/49/24/597444924.db2.gz GSSYCVXMMJLIQQ-UHFFFAOYSA-N -1 0 344.279 2.055 20 5 EEBDRM CC[C@H](C)[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000820469054 598188013 /nfs/dbraw/zinc/18/80/13/598188013.db2.gz NSVRPCDKNXNBCZ-ZANVPECISA-N -1 0 334.332 2.234 20 5 EEBDRM COc1ccc(CC(=O)O[C@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832288059 600948396 /nfs/dbraw/zinc/94/83/96/600948396.db2.gz ZYARWQRBPFZTAT-CYBMUJFWSA-N -1 0 325.317 2.188 20 5 EEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)OC/C=C(/C)C(=O)[O-])cc1OC ZINC000830050005 601408971 /nfs/dbraw/zinc/40/89/71/601408971.db2.gz VAIVDLGJZPRWPE-UITAMQMPSA-N -1 0 339.300 2.190 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263247137 601780310 /nfs/dbraw/zinc/78/03/10/601780310.db2.gz OLIJZTZTRKLPRX-DGCLKSJQSA-N -1 0 335.360 2.470 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000833090110 602014168 /nfs/dbraw/zinc/01/41/68/602014168.db2.gz BQSGAGXACDGZQT-ZDUSSCGKSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])Cn1cc(CCOc2ccc([N+](=O)[O-])c3ccccc23)nn1 ZINC000833271738 604791427 /nfs/dbraw/zinc/79/14/27/604791427.db2.gz PCZHURZCLGGZAA-UHFFFAOYSA-N -1 0 342.311 2.046 20 5 EEBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000833533024 605009515 /nfs/dbraw/zinc/00/95/15/605009515.db2.gz LGONROXWEIAMSA-MRVPVSSYSA-N -1 0 339.300 2.180 20 5 EEBDRM CC1=C(C(=O)[O-])[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=O)N1C1CC1 ZINC000833577740 605290205 /nfs/dbraw/zinc/29/02/05/605290205.db2.gz QPOHJYYATVDKDT-ZDUSSCGKSA-N -1 0 335.291 2.321 20 5 EEBDRM C/C(=C/C(=O)N[C@]1(C(=O)[O-])CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000833383594 605366557 /nfs/dbraw/zinc/36/65/57/605366557.db2.gz VBNHDNWNXPCEFM-WKTRQSJXSA-N -1 0 336.369 2.075 20 5 EEBDRM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000125477714 688050391 /nfs/dbraw/zinc/05/03/91/688050391.db2.gz VKCJRNWBEQMODM-UHFFFAOYSA-N -1 0 334.313 2.041 20 5 EEBDRM CC1(C)C(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000120601065 1198264497 /nfs/dbraw/zinc/26/44/97/1198264497.db2.gz LNEJESZUFNUFIF-UHFFFAOYSA-N -1 0 344.364 2.221 20 5 EEBDRM C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120623887 1198272243 /nfs/dbraw/zinc/27/22/43/1198272243.db2.gz XQNIHRMKLOWHNY-NXEZZACHSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1(F)CCCCC1 ZINC000810515291 1199555872 /nfs/dbraw/zinc/55/58/72/1199555872.db2.gz AMTPGXOQZGSEKY-UHFFFAOYSA-N -1 0 330.337 2.072 20 5 EEBDRM COc1cc(N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000866284165 1201483418 /nfs/dbraw/zinc/48/34/18/1201483418.db2.gz LJFFEYYCSXJHLD-CYBMUJFWSA-N -1 0 347.293 2.251 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2ncn(C)c2Cl)cc1[N+](=O)[O-] ZINC000035356802 1206507475 /nfs/dbraw/zinc/50/74/75/1206507475.db2.gz UENLHQILHIHZLU-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000195082214 1211311438 /nfs/dbraw/zinc/31/14/38/1211311438.db2.gz QGCUZHWOWRIYBQ-UHFFFAOYSA-N -1 0 348.380 2.206 20 5 EEBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2cnccc2C(F)(F)F)no1 ZINC001212893069 1214377761 /nfs/dbraw/zinc/37/77/61/1214377761.db2.gz LCWVIPGGNZJPBD-UHFFFAOYSA-N -1 0 326.194 2.449 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000802867097 1238481636 /nfs/dbraw/zinc/48/16/36/1238481636.db2.gz WEOUACABVDPPFO-UHFFFAOYSA-N -1 0 340.382 2.012 20 5 EEBDRM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)[N-]OCC1CCC1 ZINC000856348294 1293490566 /nfs/dbraw/zinc/49/05/66/1293490566.db2.gz CQGZUZJWEDPJBA-UHFFFAOYSA-N -1 0 331.328 2.370 20 5 EEBDRM O=[N+]([O-])c1ncc(-c2nc(-c3ccc4c(c3)OCCO4)no2)cc1[O-] ZINC001213596120 1296101601 /nfs/dbraw/zinc/10/16/01/1296101601.db2.gz MVGCLABRFJSQML-UHFFFAOYSA-N -1 0 342.267 2.184 20 5 EEBDRM CCCCOC(=O)[C@@H](C)Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243167 1302172564 /nfs/dbraw/zinc/17/25/64/1302172564.db2.gz WDFJAEICHHUPJL-SECBINFHSA-N -1 0 335.316 2.354 20 5 EEBDRM COC(=O)[C@H]1CC[C@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228603455 1302332173 /nfs/dbraw/zinc/33/21/73/1302332173.db2.gz JPGAJNMCPOQNIR-MGCOHNPYSA-N -1 0 337.332 2.078 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCOC(C)(C)C2)cc1[O-] ZINC001228813295 1302463676 /nfs/dbraw/zinc/46/36/76/1302463676.db2.gz ATTGRQKNRUIREY-VIFPVBQESA-N -1 0 325.317 2.423 20 5 EEBDRM CCOC(=O)[C@H]1CCC[C@@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231076943 1303613795 /nfs/dbraw/zinc/61/37/95/1303613795.db2.gz QEDWIJHDNNRHEI-JGVFFNPUSA-N -1 0 345.739 2.245 20 5 EEBDRM COC[C@@H](C)OC[C@H](C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231223297 1303689218 /nfs/dbraw/zinc/68/92/18/1303689218.db2.gz FPJVWTWVBCOUCV-BDAKNGLRSA-N -1 0 330.293 2.027 20 5 EEBDRM CCOC(=O)[C@@H]1CC[C@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231225302 1303690087 /nfs/dbraw/zinc/69/00/87/1303690087.db2.gz WHTHFRCKCSGRMX-BDAKNGLRSA-N -1 0 340.288 2.319 20 5 EEBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[n-]1 ZINC001231259292 1303707411 /nfs/dbraw/zinc/70/74/11/1303707411.db2.gz JEZVRMMOMOASOF-SNVBAGLBSA-N -1 0 339.348 2.392 20 5 EEBDRM CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000781841444 1303877792 /nfs/dbraw/zinc/87/77/92/1303877792.db2.gz QWGYQBAMUQYHHY-VIFPVBQESA-N -1 0 344.364 2.365 20 5 EEBDRM CCCCSCCC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001116111337 1305855583 /nfs/dbraw/zinc/85/55/83/1305855583.db2.gz SPBJCLPSSDMWMA-UHFFFAOYSA-N -1 0 346.430 2.323 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000829834476 1314518079 /nfs/dbraw/zinc/51/80/79/1314518079.db2.gz OTHKQJUFNIMHTL-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C(NC[C@@H]1CCCN1CC(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000830947493 1314560106 /nfs/dbraw/zinc/56/01/06/1314560106.db2.gz CDOUXAHVRIONIM-JTQLQIEISA-N -1 0 347.293 2.057 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000840918816 1315435327 /nfs/dbraw/zinc/43/53/27/1315435327.db2.gz ZKUOTTWDYIBILJ-UHFFFAOYSA-N -1 0 327.293 2.400 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC000841495630 1315565176 /nfs/dbraw/zinc/56/51/76/1315565176.db2.gz NXICFVIWSZFPJW-CQSZACIVSA-N -1 0 342.735 2.336 20 5 EEBDRM O=C([O-])c1ccc(NC[C@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC001163814888 1321223474 /nfs/dbraw/zinc/22/34/74/1321223474.db2.gz QEHLHHZRPQGQHL-LBPRGKRZSA-N -1 0 332.312 2.145 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1N ZINC001210447570 1325289483 /nfs/dbraw/zinc/28/94/83/1325289483.db2.gz IYNWCLWQPNHYKJ-UHFFFAOYSA-N -1 0 341.320 2.126 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc(F)c1Cl ZINC001608503285 1351705550 /nfs/dbraw/zinc/70/55/50/1351705550.db2.gz PJKLCKPATVNACJ-UHFFFAOYSA-N -1 0 328.643 2.061 20 5 EEBDRM O=C([O-])[C@@H](C[C@H]1CCCOC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001608534234 1351711784 /nfs/dbraw/zinc/71/17/84/1351711784.db2.gz TVOXRTVMAAFJCP-PSASIEDQSA-N -1 0 329.740 2.325 20 5 EEBDRM Cc1c(OCC(=O)NC2(C(=O)[O-])CCCCC2)cccc1[N+](=O)[O-] ZINC001600056322 1349963229 /nfs/dbraw/zinc/96/32/29/1349963229.db2.gz AXPSQMLRWHOQEM-UHFFFAOYSA-N -1 0 336.344 2.186 20 5 EEBDRM CC(C)[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001603729976 1350752604 /nfs/dbraw/zinc/75/26/04/1350752604.db2.gz FPHROFKMPUMDMJ-ZDUSSCGKSA-N -1 0 328.752 2.406 20 5 EEBDRM CCc1ccc(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1[N+](=O)[O-] ZINC001605805882 1351225612 /nfs/dbraw/zinc/22/56/12/1351225612.db2.gz FSSWKBWTVTYJCE-RQJABVFESA-N -1 0 332.356 2.386 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001608628239 1351729109 /nfs/dbraw/zinc/72/91/09/1351729109.db2.gz ZOSLAFKTKLZQSF-GHMZBOCLSA-N -1 0 331.332 2.139 20 5 EEBDRM O=C([O-])Cc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001608776992 1351760710 /nfs/dbraw/zinc/76/07/10/1351760710.db2.gz ONDGIYCXIRUQIQ-UHFFFAOYSA-N -1 0 328.324 2.081 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CC12CCOCC2 ZINC001608863715 1351780903 /nfs/dbraw/zinc/78/09/03/1351780903.db2.gz QMWSAEBTVZRVOM-LLVKDONJSA-N -1 0 337.288 2.182 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC[C@H](NC2CC2)C(F)(F)F)n1 ZINC001608915166 1351793332 /nfs/dbraw/zinc/79/33/32/1351793332.db2.gz HKZXBEBQLWMNME-JTQLQIEISA-N -1 0 348.281 2.173 20 5 EEBDRM COC(=O)[C@](C)(NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001325743830 1333951694 /nfs/dbraw/zinc/95/16/94/1333951694.db2.gz KPVMKQVWHYHVPP-QGZVFWFLSA-N -1 0 344.323 2.119 20 5 EEBDRM CC(C)Oc1cc(C(=O)[N-]S(=O)(=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001327550069 1334313346 /nfs/dbraw/zinc/31/33/46/1334313346.db2.gz DDVDJBSSYNCFLP-UHFFFAOYSA-N -1 0 344.389 2.240 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001609770732 1352081216 /nfs/dbraw/zinc/08/12/16/1352081216.db2.gz CORGPPQPTHSDKB-FIQHERPVSA-N -1 0 349.387 2.278 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001609924529 1352121378 /nfs/dbraw/zinc/12/13/78/1352121378.db2.gz IBKDCUPFOVDHLJ-PWSUYJOCSA-N -1 0 344.314 2.388 20 5 EEBDRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847895251 1338368309 /nfs/dbraw/zinc/36/83/09/1338368309.db2.gz YTQFYKHQJHLBNH-UHFFFAOYSA-N -1 0 343.405 2.401 20 5 EEBDRM CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847894991 1338368368 /nfs/dbraw/zinc/36/83/68/1338368368.db2.gz SYLNAAHJSNLPJZ-CYBMUJFWSA-N -1 0 329.378 2.011 20 5 EEBDRM Cc1[nH]c(C(=O)CN2CCc3c2cccc3[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC001610401580 1352217108 /nfs/dbraw/zinc/21/71/08/1352217108.db2.gz IKOIKPNBIUZRQE-UHFFFAOYSA-N -1 0 343.339 2.483 20 5 EEBDRM Cc1c(NC(=O)c2ccc(N(C)C)nc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610425998 1352220740 /nfs/dbraw/zinc/22/07/40/1352220740.db2.gz XJLRMSQMGOUCCH-UHFFFAOYSA-N -1 0 344.327 2.315 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2cccc(-n3ccnn3)c2)n1 ZINC001610439736 1352222715 /nfs/dbraw/zinc/22/27/15/1352222715.db2.gz CTRRCIBUACEZKP-UHFFFAOYSA-N -1 0 340.299 2.321 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001610841433 1352283764 /nfs/dbraw/zinc/28/37/64/1352283764.db2.gz DBHMLSBFDOXVIJ-UHFFFAOYSA-N -1 0 344.283 2.159 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC(O)(c3ccc(Cl)cc3)C2)n1 ZINC001610842532 1352284106 /nfs/dbraw/zinc/28/41/06/1352284106.db2.gz ZRMRDSWOVNTEAL-UHFFFAOYSA-N -1 0 349.730 2.049 20 5 EEBDRM CO[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C(=O)[O-])C1 ZINC001599121949 1349946109 /nfs/dbraw/zinc/94/61/09/1349946109.db2.gz YNOGZSAUEHMEDE-RYUDHWBXSA-N -1 0 348.311 2.045 20 5 EEBDRM Cc1cc(C)c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c(=O)o1 ZINC001600152541 1349981272 /nfs/dbraw/zinc/98/12/72/1349981272.db2.gz HINMNHAZDGRJKR-UHFFFAOYSA-N -1 0 346.295 2.424 20 5 EEBDRM Cc1c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cnn1CC(=O)[O-] ZINC001600164326 1349983363 /nfs/dbraw/zinc/98/33/63/1349983363.db2.gz KNRKUFBWHYONDQ-UHFFFAOYSA-N -1 0 332.316 2.053 20 5 EEBDRM Cc1cc(COCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)no1 ZINC001600214602 1349995002 /nfs/dbraw/zinc/99/50/02/1349995002.db2.gz CLRFETCKBSBIMV-UHFFFAOYSA-N -1 0 349.299 2.053 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600217154 1349995342 /nfs/dbraw/zinc/99/53/42/1349995342.db2.gz SDARBXPXPIHQHB-PSASIEDQSA-N -1 0 326.736 2.349 20 5 EEBDRM Cc1cc(Cl)cc(C(=O)[O-])c1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001600218261 1349995801 /nfs/dbraw/zinc/99/58/01/1349995801.db2.gz HKISYKVQBKGFBC-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM Cc1cc(N(C)Cc2nncn2C(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600235701 1349998912 /nfs/dbraw/zinc/99/89/12/1349998912.db2.gz KTYSTCXWUPMRJA-UHFFFAOYSA-N -1 0 333.348 2.410 20 5 EEBDRM Cc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)cc1[N+](=O)[O-] ZINC001600337720 1350023596 /nfs/dbraw/zinc/02/35/96/1350023596.db2.gz NJSILBOPZDRUEZ-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1ccc(C(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])cc1[N+](=O)[O-] ZINC001600338411 1350023826 /nfs/dbraw/zinc/02/38/26/1350023826.db2.gz WURCNRIQBUXACV-ZDUSSCGKSA-N -1 0 344.323 2.035 20 5 EEBDRM Cc1ccc2nc(CNc3nc(C(=O)[O-])ccc3[N+](=O)[O-])cn2c1 ZINC001600502605 1350067497 /nfs/dbraw/zinc/06/74/97/1350067497.db2.gz QNIMJHNIMQQAHA-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM Cn1c2ccccc2c(NC2CC(CC(=O)[O-])C2)c([N+](=O)[O-])c1=O ZINC001600895666 1350161954 /nfs/dbraw/zinc/16/19/54/1350161954.db2.gz ZCUXOHMTBHTZDF-UHFFFAOYSA-N -1 0 331.328 2.112 20 5 EEBDRM Cn1cc(Cl)c(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n1 ZINC001600957131 1350176766 /nfs/dbraw/zinc/17/67/66/1350176766.db2.gz SBVIAGHHQHYIKC-CQSZACIVSA-N -1 0 338.751 2.071 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCC(=O)NC1CCCC1 ZINC001601329345 1350258563 /nfs/dbraw/zinc/25/85/63/1350258563.db2.gz NQWZHTKJUSATRN-UHFFFAOYSA-N -1 0 341.751 2.417 20 5 EEBDRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001601409238 1350277882 /nfs/dbraw/zinc/27/78/82/1350277882.db2.gz PTQMMVXRAHMONZ-MWLCHTKSSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@H](CCF)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001601413451 1350279124 /nfs/dbraw/zinc/27/91/24/1350279124.db2.gz OOEGHKVWHKPWCX-VIFPVBQESA-N -1 0 338.213 2.156 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)CC1CC1 ZINC001601456431 1350287535 /nfs/dbraw/zinc/28/75/35/1350287535.db2.gz KHXFHZNEBNTHJB-SECBINFHSA-N -1 0 325.296 2.356 20 5 EEBDRM O=C([O-])C1([C@]2(O)CCCN(c3ccsc3[N+](=O)[O-])C2)CCC1 ZINC001601705263 1350343600 /nfs/dbraw/zinc/34/36/00/1350343600.db2.gz FUWOZSPCOYEGFE-AWEZNQCLSA-N -1 0 326.374 2.243 20 5 EEBDRM O=C([O-])[C@H]1C[C@H](O)CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001601770022 1350360300 /nfs/dbraw/zinc/36/03/00/1350360300.db2.gz SIRIQBMKNPDEQU-BQBZGAKWSA-N -1 0 335.143 2.173 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]([C@@H]2CCCO2)C1 ZINC001601826950 1350374008 /nfs/dbraw/zinc/37/40/08/1350374008.db2.gz CCODKHCQCDIWKA-SNPRPXQTSA-N -1 0 348.355 2.079 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC001601827344 1350374085 /nfs/dbraw/zinc/37/40/85/1350374085.db2.gz JBGAPHVYEGZPCL-GFCCVEGCSA-N -1 0 336.347 2.228 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]2CCC[C@@H]21 ZINC001601827316 1350374150 /nfs/dbraw/zinc/37/41/50/1350374150.db2.gz HJGDUBAMNXZLBJ-JTNHKYCSSA-N -1 0 336.319 2.449 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001601858068 1350382370 /nfs/dbraw/zinc/38/23/70/1350382370.db2.gz WZVUEVATDCHSEC-JTQLQIEISA-N -1 0 330.793 2.498 20 5 EEBDRM O=C([O-])CCN1CCC[C@H](Sc2ccc([N+](=O)[O-])cc2F)C1=O ZINC001602014087 1350419323 /nfs/dbraw/zinc/41/93/23/1350419323.db2.gz WXJGSTOBXJHEIN-LBPRGKRZSA-N -1 0 342.348 2.292 20 5 EEBDRM O=C([O-])CCNC(=O)CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001602019615 1350419837 /nfs/dbraw/zinc/41/98/37/1350419837.db2.gz MTNDNROMRFWZLQ-UHFFFAOYSA-N -1 0 349.265 2.007 20 5 EEBDRM O=C([O-])CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC001602050917 1350427389 /nfs/dbraw/zinc/42/73/89/1350427389.db2.gz UHNYZPGJJIBYJL-UHFFFAOYSA-N -1 0 332.287 2.394 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N2CCC3(CCC3)CC2)c([N+](=O)[O-])c1 ZINC001602072612 1350430803 /nfs/dbraw/zinc/43/08/03/1350430803.db2.gz GQMNTNPNFPDWFH-UHFFFAOYSA-N -1 0 347.371 2.180 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCO[C@H](C(F)F)CC2)c([N+](=O)[O-])c1 ZINC001602120695 1350443794 /nfs/dbraw/zinc/44/37/94/1350443794.db2.gz GQEGXTWOZNNCTA-LBPRGKRZSA-N -1 0 330.287 2.082 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@@H](n3ccnn3)CC2)c([N+](=O)[O-])c1 ZINC001602120953 1350444138 /nfs/dbraw/zinc/44/41/38/1350444138.db2.gz PXSNCBPJMDLAIL-CYBMUJFWSA-N -1 0 345.359 2.045 20 5 EEBDRM O=C([O-])[C@@H](F)CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC001602170554 1350457053 /nfs/dbraw/zinc/45/70/53/1350457053.db2.gz DDBWGMKRGYCQRE-BYPYZUCNSA-N -1 0 347.171 2.479 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCc3cccnc32)cc([N+](=O)[O-])c1 ZINC001602246352 1350475641 /nfs/dbraw/zinc/47/56/41/1350475641.db2.gz VCWBMSQEVZYKLH-NSHDSACASA-N -1 0 341.323 2.148 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(CCCc2c(F)cccc2F)c1=O ZINC001602300460 1350488207 /nfs/dbraw/zinc/48/82/07/1350488207.db2.gz HSPCBZHDXSXTOI-UHFFFAOYSA-N -1 0 338.266 2.366 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC001602325718 1350494912 /nfs/dbraw/zinc/49/49/12/1350494912.db2.gz OGGMGNYAEXOXBJ-UHFFFAOYSA-N -1 0 332.297 2.483 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001602420643 1350515601 /nfs/dbraw/zinc/51/56/01/1350515601.db2.gz BARWHQZADOSMSW-INIZCTEOSA-N -1 0 328.324 2.342 20 5 EEBDRM O=C([O-])[C@H](OC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC001602599564 1350554393 /nfs/dbraw/zinc/55/43/93/1350554393.db2.gz CPBOBKQDOMHOQD-SNVBAGLBSA-N -1 0 331.227 2.216 20 5 EEBDRM O=C([O-])[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)CC1CC1 ZINC001602647754 1350565498 /nfs/dbraw/zinc/56/54/98/1350565498.db2.gz OVWSRLJBCMUZFF-NSHDSACASA-N -1 0 333.344 2.392 20 5 EEBDRM O=Cc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001602666551 1350569682 /nfs/dbraw/zinc/56/96/82/1350569682.db2.gz CHWGTKUTXFXEEN-UHFFFAOYSA-N -1 0 344.279 2.123 20 5 EEBDRM CC(C)(CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1=CCOCC1 ZINC001603639082 1350732739 /nfs/dbraw/zinc/73/27/39/1350732739.db2.gz YZAKZMJFNINVJN-UHFFFAOYSA-N -1 0 348.355 2.396 20 5 EEBDRM C[C@@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC[S@]1=O ZINC001604758032 1350998178 /nfs/dbraw/zinc/99/81/78/1350998178.db2.gz RZGWKKZWSVEIOE-CWMRNNLJSA-N -1 0 346.792 2.294 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)COc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604936077 1351035133 /nfs/dbraw/zinc/03/51/33/1351035133.db2.gz PEXBUUWKTKMTRS-OQPBUACISA-N -1 0 344.751 2.243 20 5 EEBDRM CC[C@@H](C)[C@H](OC)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604942088 1351035711 /nfs/dbraw/zinc/03/57/11/1351035711.db2.gz DBOREQVLLZJVMK-RNCFNFMXSA-N -1 0 325.317 2.397 20 5 EEBDRM CC[C@@H](OC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC001605115972 1351080630 /nfs/dbraw/zinc/08/06/30/1351080630.db2.gz JPCHMYYPJQOXOD-WRWORJQWSA-N -1 0 329.280 2.399 20 5 EEBDRM CC[C@@H](OC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001605117302 1351080646 /nfs/dbraw/zinc/08/06/46/1351080646.db2.gz WJCNLFRKUNYSIP-MRVPVSSYSA-N -1 0 349.242 2.225 20 5 EEBDRM CCCC[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001605239915 1351113339 /nfs/dbraw/zinc/11/33/39/1351113339.db2.gz AXHFJKKZHUYIKX-LLVKDONJSA-N -1 0 330.287 2.446 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001606830041 1351362904 /nfs/dbraw/zinc/36/29/04/1351362904.db2.gz HRYCJLBMDPZJJI-OAHLLOKOSA-N -1 0 344.314 2.329 20 5 EEBDRM COc1ccc(CNC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001607254762 1351459575 /nfs/dbraw/zinc/45/95/75/1351459575.db2.gz DIYOEEWZBKPGBQ-HWKANZROSA-N -1 0 346.295 2.224 20 5 EEBDRM COc1ccc(F)cc1CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607266874 1351461611 /nfs/dbraw/zinc/46/16/11/1351461611.db2.gz YBGGUWBMFDZLSL-UHFFFAOYSA-N -1 0 335.291 2.490 20 5 EEBDRM COc1ccc(NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001607273050 1351462635 /nfs/dbraw/zinc/46/26/35/1351462635.db2.gz FXFRENFKCABPOW-VFZGTOFNSA-N -1 0 337.332 2.178 20 5 EEBDRM COc1cccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001607304902 1351469453 /nfs/dbraw/zinc/46/94/53/1351469453.db2.gz NVIIQYWRDGVEEN-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM CSc1ccc(C(=O)Nc2ccc(C(=O)[O-])nn2)cc1[N+](=O)[O-] ZINC001607403857 1351488672 /nfs/dbraw/zinc/48/86/72/1351488672.db2.gz QXEZGQYOXUZXJM-UHFFFAOYSA-N -1 0 334.313 2.057 20 5 EEBDRM Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)nc(C)c1C(=O)[O-] ZINC001607679284 1351538000 /nfs/dbraw/zinc/53/80/00/1351538000.db2.gz IKYFPYVRRXUQRQ-UHFFFAOYSA-N -1 0 345.311 2.322 20 5 EEBDRM Cc1nn(C)c(C)c1[C@@H](O)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001607694552 1351540979 /nfs/dbraw/zinc/54/09/79/1351540979.db2.gz XCLLUNWTVBXUGU-AWEZNQCLSA-N -1 0 348.359 2.097 20 5 EEBDRM Cn1c2ccccc2c(NC[C@@H](CC(=O)[O-])C2CC2)c([N+](=O)[O-])c1=O ZINC001608076516 1351619945 /nfs/dbraw/zinc/61/99/45/1351619945.db2.gz WSPRTQLJQONCQW-LLVKDONJSA-N -1 0 345.355 2.360 20 5 EEBDRM O=C(COc1ccccc1)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001608349798 1351676569 /nfs/dbraw/zinc/67/65/69/1351676569.db2.gz BRBPPLJOIMAOLF-UHFFFAOYSA-N -1 0 331.280 2.320 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000851624787 1367191678 /nfs/dbraw/zinc/19/16/78/1367191678.db2.gz MVNPITKCFQFSHG-XJKSGUPXSA-N -1 0 335.360 2.034 20 5 EEBDRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CC=CCC1 ZINC000835154432 1372597329 /nfs/dbraw/zinc/59/73/29/1372597329.db2.gz GKMPJUUHQLRZPC-LBPRGKRZSA-N -1 0 330.387 2.208 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H](C)C1CCC1 ZINC000838791136 1372863101 /nfs/dbraw/zinc/86/31/01/1372863101.db2.gz OPPUKDRHTAMQSP-JTQLQIEISA-N -1 0 326.374 2.144 20 5 EEBDRM Cc1ccc(C)c(C(=O)[C@@H](C)n2cc([N+](=O)[O-])c(-c3nnn[n-]3)n2)c1 ZINC001592137311 1404006109 /nfs/dbraw/zinc/00/61/09/1404006109.db2.gz UUSADYGDLUOXMK-SNVBAGLBSA-N -1 0 341.331 2.032 20 5 EEBDRM CN(CC(=O)O[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001606088612 1404766605 /nfs/dbraw/zinc/76/66/05/1404766605.db2.gz BBUXJRZWHJCMAG-NWDGAFQWSA-N -1 0 336.344 2.218 20 5 EEBDRM O=C(Nc1n[nH]c(-c2cccs2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780371573 759694594 /nfs/dbraw/zinc/69/45/94/759694594.db2.gz VSRKYNPBDGRMKS-UHFFFAOYSA-N -1 0 331.313 2.399 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])nn1C ZINC000817355063 784693039 /nfs/dbraw/zinc/69/30/39/784693039.db2.gz RJFFPKJLHKXZME-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000588522553 785871177 /nfs/dbraw/zinc/87/11/77/785871177.db2.gz PEBDDAHAEXMGDV-KTKRTIGZSA-N -1 0 346.364 2.254 20 5 EEBDRM O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000821084097 786593654 /nfs/dbraw/zinc/59/36/54/786593654.db2.gz KMZRFQPUQUCZPE-UHFFFAOYSA-N -1 0 325.664 2.072 20 5 EEBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)c1 ZINC000821116405 786604620 /nfs/dbraw/zinc/60/46/20/786604620.db2.gz NHZYQCRPQPXMPP-UHFFFAOYSA-N -1 0 336.251 2.138 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000844207970 788926548 /nfs/dbraw/zinc/92/65/48/788926548.db2.gz PSAUVRQPQYPWKC-GFCCVEGCSA-N -1 0 330.344 2.329 20 5 EEBDRM CCO[N-]C(=O)CNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000845713515 789922113 /nfs/dbraw/zinc/92/21/13/789922113.db2.gz MHMQVPFKRRZSGS-UHFFFAOYSA-N -1 0 332.154 2.145 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000797023490 794324923 /nfs/dbraw/zinc/32/49/23/794324923.db2.gz KBXSWRDRMZCIBC-UHFFFAOYSA-N -1 0 342.417 2.328 20 5 EEBDRM O=Cc1ccc(OCC(=O)Nc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000916592236 797672368 /nfs/dbraw/zinc/67/23/68/797672368.db2.gz RTCMHKXJOPRPJM-UHFFFAOYSA-N -1 0 344.279 2.123 20 5 EEBDRM COc1ccc2nc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)nnc2c1 ZINC001176671822 798523009 /nfs/dbraw/zinc/52/30/09/798523009.db2.gz DYADRRFZMIFRLT-UHFFFAOYSA-N -1 0 341.283 2.383 20 5 EEBDRM COCCCN(c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ncccc1N ZINC001176673889 798523608 /nfs/dbraw/zinc/52/36/08/798523608.db2.gz BFVOJKYQCNDTFZ-UHFFFAOYSA-N -1 0 346.343 2.445 20 5 EEBDRM Nc1nc(Cl)cc2ncn(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c21 ZINC001176677853 798525457 /nfs/dbraw/zinc/52/54/57/798525457.db2.gz DSCIOJVAEZKQGG-UHFFFAOYSA-N -1 0 333.691 2.263 20 5 EEBDRM Nc1ccc(COCCO)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176680803 798526122 /nfs/dbraw/zinc/52/61/22/798526122.db2.gz ZALVPNSTFDMIAV-UHFFFAOYSA-N -1 0 347.327 2.128 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)cc1[N+](=O)[O-] ZINC000808127070 812447497 /nfs/dbraw/zinc/44/74/97/812447497.db2.gz MRNWKMDTUHYOTC-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)c1 ZINC000832785639 939220942 /nfs/dbraw/zinc/22/09/42/939220942.db2.gz PACXOPDORWHVCG-CYBMUJFWSA-N -1 0 347.352 2.267 20 5 EEBDRM O=C([O-])C1(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCSCC1 ZINC000566715983 939356663 /nfs/dbraw/zinc/35/66/63/939356663.db2.gz JECLUCVGVASTIS-UHFFFAOYSA-N -1 0 343.336 2.206 20 5 EEBDRM O=C([O-])c1cccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC001595242933 949482843 /nfs/dbraw/zinc/48/28/43/949482843.db2.gz DUFOECMNAWBYFD-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM C[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C(=O)[O-] ZINC001589332961 953958155 /nfs/dbraw/zinc/95/81/55/953958155.db2.gz IEGFBTSIFSAHDO-HZMBPMFUSA-N -1 0 346.343 2.330 20 5 EEBDRM C[C@@](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)(C(=O)[O-])c1ccccc1 ZINC001589072194 955782771 /nfs/dbraw/zinc/78/27/71/955782771.db2.gz PHKYMEVARSIXFV-KRWDZBQOSA-N -1 0 343.339 2.148 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001594664103 956559915 /nfs/dbraw/zinc/55/99/15/956559915.db2.gz VYEZLIFOJDKSBP-UHFFFAOYSA-N -1 0 333.275 2.196 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)nc1 ZINC001574802505 957840617 /nfs/dbraw/zinc/84/06/17/957840617.db2.gz IDIPRPVZSKSREH-QWHCGFSZSA-N -1 0 327.296 2.430 20 5 EEBDRM O=C([O-])C1(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000094188883 958263512 /nfs/dbraw/zinc/26/35/12/958263512.db2.gz DQSCJVJXWSLPSS-UHFFFAOYSA-N -1 0 329.106 2.161 20 5 EEBDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001588641128 959696621 /nfs/dbraw/zinc/69/66/21/959696621.db2.gz XBTJHYDNLFJQNZ-JTQLQIEISA-N -1 0 326.261 2.155 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1C ZINC001574381617 961104747 /nfs/dbraw/zinc/10/47/47/961104747.db2.gz BVZJWWFQSQDCMV-ZDUSSCGKSA-N -1 0 343.339 2.032 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001574506596 961783248 /nfs/dbraw/zinc/78/32/48/961783248.db2.gz KTZJXBQRWSTZDA-OAHLLOKOSA-N -1 0 341.323 2.001 20 5 EEBDRM O=C([O-])C1CC2(C1)CC[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)O2 ZINC001594908021 970275462 /nfs/dbraw/zinc/27/54/62/970275462.db2.gz XAEMKAUTBNWUOD-CFEOFWIRSA-N -1 0 341.751 2.468 20 5 EEBDRM C[C@@H](OC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001604998722 972593835 /nfs/dbraw/zinc/59/38/35/972593835.db2.gz WEBUNNYZTZVERH-UTUOFQBUSA-N -1 0 337.328 2.469 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2ccccc2C(=O)[O-])c([N+](=O)[O-])s1 ZINC001605224982 972976958 /nfs/dbraw/zinc/97/69/58/972976958.db2.gz KEIFQVXUCJTSLE-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1C(=O)[O-] ZINC001603421673 973134033 /nfs/dbraw/zinc/13/40/33/973134033.db2.gz FHCULMNKSZRIPR-PSASIEDQSA-N -1 0 325.296 2.308 20 5 EEBDRM O=C([O-])/C=C\c1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)co1 ZINC001606063976 973197063 /nfs/dbraw/zinc/19/70/63/973197063.db2.gz WGJQUNCDEWYVSS-WAYWQWQTSA-N -1 0 346.295 2.094 20 5 EEBDRM O=C([O-])[C@@]12COC[C@@H]1CN(c1c(Cl)c(Cl)ccc1[N+](=O)[O-])C2 ZINC001606433824 973883229 /nfs/dbraw/zinc/88/32/29/973883229.db2.gz VIFXOWIFOYIACQ-CPFSXVBKSA-N -1 0 347.154 2.439 20 5 EEBDRM C[C@@H](CN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001592564092 978457552 /nfs/dbraw/zinc/45/75/52/978457552.db2.gz RUSPWVSSGYPPKI-VIFPVBQESA-N -1 0 326.324 2.191 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000832959085 979060869 /nfs/dbraw/zinc/06/08/69/979060869.db2.gz YUMPECARLFBLLA-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000852912717 979584818 /nfs/dbraw/zinc/58/48/18/979584818.db2.gz OIBMHXOGKVWDCL-GMSGAONNSA-N -1 0 342.735 2.192 20 5 EEBDRM CCC(C)(C)C(=O)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001594792167 981858497 /nfs/dbraw/zinc/85/84/97/981858497.db2.gz XNZUEZDOTNASDA-INIZCTEOSA-N -1 0 336.344 2.016 20 5 EEBDRM CCN(CCC1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001596320915 983752157 /nfs/dbraw/zinc/75/21/57/983752157.db2.gz SYVAAEUGZPCVDA-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM CC(=CC(=O)OCC(=O)C(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001588953331 984694434 /nfs/dbraw/zinc/69/44/34/984694434.db2.gz OPRJTWKPVXGMOP-NTMALXAHSA-N -1 0 335.312 2.221 20 5 EEBDRM CC(C)(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC001589563532 987325681 /nfs/dbraw/zinc/32/56/81/987325681.db2.gz FXDXMYCUNGQBIK-QWHCGFSZSA-N -1 0 346.383 2.442 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)c1[N+](=O)[O-] ZINC001597400320 987662433 /nfs/dbraw/zinc/66/24/33/987662433.db2.gz ZFZJPNKGPCFDMU-LBPRGKRZSA-N -1 0 346.343 2.135 20 5 EEBDRM CC(C)(C)[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)[O-] ZINC001589719412 987879688 /nfs/dbraw/zinc/87/96/88/987879688.db2.gz GKRXAGBGUASRHU-LBPRGKRZSA-N -1 0 334.332 2.234 20 5 EEBDRM CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(C)(C)C(=O)[O-] ZINC001598088052 990421700 /nfs/dbraw/zinc/42/17/00/990421700.db2.gz WCPVKMUPXWWYQD-UHFFFAOYSA-N -1 0 332.259 2.131 20 5 EEBDRM CC(C)(NCCOc1cccc([N+](=O)[O-])c1)c1nocc1C(=O)[O-] ZINC001590870466 990773121 /nfs/dbraw/zinc/77/31/21/990773121.db2.gz NXHVRMSNUUCAGI-UHFFFAOYSA-N -1 0 335.316 2.185 20 5 EEBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC001593145277 993939121 /nfs/dbraw/zinc/93/91/21/993939121.db2.gz BTRSUVJTJXKIHI-BMIGLBTASA-N -1 0 344.323 2.145 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CC(C)(C)C2(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171453 994031589 /nfs/dbraw/zinc/03/15/89/994031589.db2.gz VWCSQNGJVWAEKK-SNVBAGLBSA-N -1 0 349.387 2.423 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001593765203 996440487 /nfs/dbraw/zinc/44/04/87/996440487.db2.gz PEUVKJNTQFNWIX-KEYYUXOJSA-N -1 0 332.356 2.412 20 5 EEBDRM COC[C@@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001599207124 997429554 /nfs/dbraw/zinc/42/95/54/997429554.db2.gz IWRFJXIKBXXHGI-IUCAKERBSA-N -1 0 344.751 2.187 20 5 EEBDRM COc1cc(COC(=O)c2c[nH]c(C(=O)[O-])c2)c([N+](=O)[O-])cc1F ZINC001599417825 997540736 /nfs/dbraw/zinc/54/07/36/997540736.db2.gz RQXXEUKXHNJGNF-UHFFFAOYSA-N -1 0 338.247 2.126 20 5 EEBDRM COc1cc(C(=O)NCc2cc(C)c(C(=O)[O-])o2)ccc1[N+](=O)[O-] ZINC001599353687 998141884 /nfs/dbraw/zinc/14/18/84/998141884.db2.gz KIOXJWLJFRYZGS-UHFFFAOYSA-N -1 0 334.284 2.133 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001599461714 998284777 /nfs/dbraw/zinc/28/47/77/998284777.db2.gz BGWZJUKLPHPYEL-NXEZZACHSA-N -1 0 337.332 2.178 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN[C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001599462286 998294228 /nfs/dbraw/zinc/29/42/28/998294228.db2.gz MMDJQNHKKRUDPJ-KRWDZBQOSA-N -1 0 345.355 2.478 20 5 EEBDRM C[C@H]1CCCN(C(=O)CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594377488 999422556 /nfs/dbraw/zinc/42/25/56/999422556.db2.gz DZBLRQBXJQVZJC-LBPRGKRZSA-N -1 0 349.387 2.282 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c([N+](=O)[O-])c1 ZINC000032591563 212813080 /nfs/dbraw/zinc/81/30/80/212813080.db2.gz OLEOLTCPCHCDIE-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM NC(=O)CN(CCC1CCCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160206007 237233805 /nfs/dbraw/zinc/23/38/05/237233805.db2.gz HXYWBRKVPZSEON-UHFFFAOYSA-N -1 0 349.387 2.198 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC000342942519 296105792 /nfs/dbraw/zinc/10/57/92/296105792.db2.gz CAWDOJIWSASNSI-SECBINFHSA-N -1 0 344.327 2.282 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000455613210 244039840 /nfs/dbraw/zinc/03/98/40/244039840.db2.gz BLMSVKDPLPSAHT-SECBINFHSA-N -1 0 343.767 2.372 20 5 EEBDRM CN(CCC(=O)[O-])C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000262557822 245032315 /nfs/dbraw/zinc/03/23/15/245032315.db2.gz XGQOOPLZBANQDV-UHFFFAOYSA-N -1 0 349.112 2.043 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263421760 245414009 /nfs/dbraw/zinc/41/40/09/245414009.db2.gz IYSMKZORXJOAHX-INIZCTEOSA-N -1 0 335.360 2.253 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000739556346 578058230 /nfs/dbraw/zinc/05/82/30/578058230.db2.gz HEBRDFYIAUKSIZ-RKDXNWHRSA-N -1 0 344.117 2.121 20 5 EEBDRM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1 ZINC000095348728 218282485 /nfs/dbraw/zinc/28/24/85/218282485.db2.gz HANIMSGCBYVSLY-UHFFFAOYSA-N -1 0 336.325 2.182 20 5 EEBDRM Cc1cnc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)s1 ZINC000269190736 255542250 /nfs/dbraw/zinc/54/22/50/255542250.db2.gz FDVJLLICQHAYDS-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000263233730 140896563 /nfs/dbraw/zinc/89/65/63/140896563.db2.gz MTKIEHBPDAWQBM-SECBINFHSA-N -1 0 341.751 2.254 20 5 EEBDRM O=C([O-])[C@H](CC1CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262918697 152339122 /nfs/dbraw/zinc/33/91/22/152339122.db2.gz IIEJSDBTDXWPLR-LBPRGKRZSA-N -1 0 326.736 2.160 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000263161262 152391281 /nfs/dbraw/zinc/39/12/81/152391281.db2.gz JRUFQXGLEGOTLV-GZMMTYOYSA-N -1 0 326.736 2.112 20 5 EEBDRM O=C(Nc1nnc(-c2ccccn2)s1)c1cccc([N+](=O)[O-])c1[O-] ZINC000121908796 292268811 /nfs/dbraw/zinc/26/88/11/292268811.db2.gz QNCHWZMGPNODMQ-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM Cc1cccn2cc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])nc12 ZINC000130485506 292374021 /nfs/dbraw/zinc/37/40/21/292374021.db2.gz DKWGAWPYOCNZDA-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1nc(C(C)(C)C)no1 ZINC000130517471 292374506 /nfs/dbraw/zinc/37/45/06/292374506.db2.gz LALATLHCJBQXTK-QMMMGPOBSA-N -1 0 334.332 2.472 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000263367554 160460005 /nfs/dbraw/zinc/46/00/05/160460005.db2.gz UGZIHEKQRGFYGX-PSASIEDQSA-N -1 0 326.736 2.431 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1nc2ccccc2[n-]1 ZINC000105723315 159304072 /nfs/dbraw/zinc/30/40/72/159304072.db2.gz HPMIPNCXLGPGSU-UHFFFAOYSA-N -1 0 347.352 2.454 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(O)c(F)c1 ZINC000120997896 159398619 /nfs/dbraw/zinc/39/86/19/159398619.db2.gz XQULVICBUIJWAZ-UHFFFAOYSA-N -1 0 347.302 2.003 20 5 EEBDRM CNc1nnc(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000184306146 160005829 /nfs/dbraw/zinc/00/58/29/160005829.db2.gz JBAAIGJPTHXCBH-UHFFFAOYSA-N -1 0 343.752 2.028 20 5 EEBDRM COc1ccc([C@@H](CCO)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000345304121 161290065 /nfs/dbraw/zinc/29/00/65/161290065.db2.gz OSHOJMUHCWKHTD-CQSZACIVSA-N -1 0 346.339 2.163 20 5 EEBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000345788445 161332573 /nfs/dbraw/zinc/33/25/73/161332573.db2.gz DJZVNJFHLDWWFC-UHFFFAOYSA-N -1 0 344.279 2.298 20 5 EEBDRM CCn1nc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000352014682 162028876 /nfs/dbraw/zinc/02/88/76/162028876.db2.gz RRPJJNOKVMFLAK-BQYQJAHWSA-N -1 0 327.300 2.336 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cnn(-c3ccccc3)c2)[nH]1 ZINC000352029519 162036596 /nfs/dbraw/zinc/03/65/96/162036596.db2.gz ZVOWSZDHRDLNLP-VOTSOKGWSA-N -1 0 325.284 2.152 20 5 EEBDRM CC[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000355477307 163203498 /nfs/dbraw/zinc/20/34/98/163203498.db2.gz ZOLKSRWEPKDIAM-MRVPVSSYSA-N -1 0 330.362 2.020 20 5 EEBDRM Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C(=O)[O-])cc1 ZINC000362807479 164802735 /nfs/dbraw/zinc/80/27/35/164802735.db2.gz UXQCPHVMQANFRA-ZDUSSCGKSA-N -1 0 343.339 2.084 20 5 EEBDRM CC(C)Oc1cc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccn1 ZINC000272701830 269011011 /nfs/dbraw/zinc/01/10/11/269011011.db2.gz USLQLMPMYNYOAP-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM CO[C@](C)(CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C1CC1 ZINC000291599552 275321464 /nfs/dbraw/zinc/32/14/64/275321464.db2.gz CNXFSZMFMPJSJT-OAHLLOKOSA-N -1 0 342.417 2.305 20 5 EEBDRM CC[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000237060328 288030109 /nfs/dbraw/zinc/03/01/09/288030109.db2.gz BQENFFXWQVSZBX-ZDUSSCGKSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1CCN(CC(F)F)CC1 ZINC000281230633 292742527 /nfs/dbraw/zinc/74/25/27/292742527.db2.gz MWZPVTJXAJNHLN-UHFFFAOYSA-N -1 0 329.303 2.216 20 5 EEBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cnn1C1CCOCC1 ZINC000295593897 293763892 /nfs/dbraw/zinc/76/38/92/293763892.db2.gz PIFKGNWWWRTODN-UHFFFAOYSA-N -1 0 346.343 2.409 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000326053820 311603161 /nfs/dbraw/zinc/60/31/61/311603161.db2.gz IURKHUFWMIDPSS-CQSZACIVSA-N -1 0 329.312 2.412 20 5 EEBDRM CCN(CC(=O)N1CCCCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000332004205 311935252 /nfs/dbraw/zinc/93/52/52/311935252.db2.gz OVOXSZDFXYCSTL-UHFFFAOYSA-N -1 0 349.387 2.165 20 5 EEBDRM CCOC(=O)c1csc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000436721845 314992234 /nfs/dbraw/zinc/99/22/34/314992234.db2.gz YGWPKALTUASWPO-UHFFFAOYSA-N -1 0 337.313 2.186 20 5 EEBDRM O=C(Nc1cccc(N2CCC2=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436808395 315000762 /nfs/dbraw/zinc/00/07/62/315000762.db2.gz OWSOULJGSSJIFE-UHFFFAOYSA-N -1 0 327.296 2.289 20 5 EEBDRM NC(=O)c1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1Cl ZINC000436941683 315015448 /nfs/dbraw/zinc/01/54/48/315015448.db2.gz QYCKYQQVGLWPNY-UHFFFAOYSA-N -1 0 335.703 2.305 20 5 EEBDRM O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436984535 315019461 /nfs/dbraw/zinc/01/94/61/315019461.db2.gz BWUHZNHNPBVQKQ-UHFFFAOYSA-N -1 0 342.307 2.448 20 5 EEBDRM CC(=O)NCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436979837 315019624 /nfs/dbraw/zinc/01/96/24/315019624.db2.gz MWQGDSTZPTYBDC-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000437000321 315022029 /nfs/dbraw/zinc/02/20/29/315022029.db2.gz MXEQKFJTXGMAET-UHFFFAOYSA-N -1 0 325.280 2.394 20 5 EEBDRM CC(=O)N1CCc2c1cccc2NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000546014917 318240872 /nfs/dbraw/zinc/24/08/72/318240872.db2.gz GBWLNVKBYJQZKW-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCCCC1 ZINC000547801337 318324571 /nfs/dbraw/zinc/32/45/71/318324571.db2.gz MOKLAIGTGVUTAV-CQSZACIVSA-N -1 0 336.344 2.152 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)c([N+](=O)[O-])c1 ZINC000565234488 319164926 /nfs/dbraw/zinc/16/49/26/319164926.db2.gz UOPQPYQYFXJSAC-UHFFFAOYSA-N -1 0 338.345 2.005 20 5 EEBDRM C[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567239752 319362256 /nfs/dbraw/zinc/36/22/56/319362256.db2.gz ZYOHBKDTEBBXQT-ZJUUUORDSA-N -1 0 342.373 2.008 20 5 EEBDRM CSC1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC000567475215 319383352 /nfs/dbraw/zinc/38/33/52/319383352.db2.gz CFGJAKMSWYYNJQ-UHFFFAOYSA-N -1 0 327.362 2.012 20 5 EEBDRM Cc1cc(NCC(C)(C)N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572043019 319810447 /nfs/dbraw/zinc/81/04/47/319810447.db2.gz GGTOCDGITOHLPG-UHFFFAOYSA-N -1 0 337.376 2.124 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCCc3c2cnn3C)n1 ZINC000572648609 319865089 /nfs/dbraw/zinc/86/50/89/319865089.db2.gz KJQWPKFEQCAWKZ-NSHDSACASA-N -1 0 331.332 2.219 20 5 EEBDRM CCC(CC)N(CC)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575186063 320094290 /nfs/dbraw/zinc/09/42/90/320094290.db2.gz SSNFPGJRVSQCRL-UHFFFAOYSA-N -1 0 344.389 2.492 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000578708275 323684887 /nfs/dbraw/zinc/68/48/87/323684887.db2.gz QEUBSDIAFJZOIF-LBPRGKRZSA-N -1 0 335.341 2.281 20 5 EEBDRM COc1ccc(COCCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000580197281 324014218 /nfs/dbraw/zinc/01/42/18/324014218.db2.gz XLXWPORMWGEAGL-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cnccc2N2CCCC2)c1 ZINC000580773393 324125866 /nfs/dbraw/zinc/12/58/66/324125866.db2.gz ATBSDXQPQJHAAC-UHFFFAOYSA-N -1 0 348.384 2.391 20 5 EEBDRM CCc1ccc(S(=O)(=O)N(CC)[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000582731062 324515398 /nfs/dbraw/zinc/51/53/98/324515398.db2.gz QGSXJPAYGPNPJJ-JTQLQIEISA-N -1 0 344.389 2.031 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(OC)c1 ZINC000336878980 465072643 /nfs/dbraw/zinc/07/26/43/465072643.db2.gz KHUUSOLXCAUGRU-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000065319909 462757259 /nfs/dbraw/zinc/75/72/59/462757259.db2.gz NNZYRIKSFNQEJB-ZDUSSCGKSA-N -1 0 349.387 2.069 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000091021312 462821291 /nfs/dbraw/zinc/82/12/91/462821291.db2.gz JPIWHMMHSVXNGH-UHFFFAOYSA-N -1 0 342.352 2.139 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000119198976 462880571 /nfs/dbraw/zinc/88/05/71/462880571.db2.gz IPTXRYGUOOSZJY-BXUZGUMPSA-N -1 0 330.344 2.220 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)cc1C(=O)[O-] ZINC000013393006 462891587 /nfs/dbraw/zinc/89/15/87/462891587.db2.gz XFZUBYDVXCHTOG-UHFFFAOYSA-N -1 0 336.325 2.293 20 5 EEBDRM CC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000521631561 468325300 /nfs/dbraw/zinc/32/53/00/468325300.db2.gz QRPIGISJCKEZRM-JTQLQIEISA-N -1 0 342.373 2.246 20 5 EEBDRM O=C([O-])CSCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000157450007 463133066 /nfs/dbraw/zinc/13/30/66/463133066.db2.gz QOGNLOOOVOFFQL-UHFFFAOYSA-N -1 0 349.162 2.114 20 5 EEBDRM Cc1cc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000103521993 463405048 /nfs/dbraw/zinc/40/50/48/463405048.db2.gz JFNCONQKAHSILW-UHFFFAOYSA-N -1 0 340.295 2.499 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2Br)[nH]1 ZINC000033475752 463422103 /nfs/dbraw/zinc/42/21/03/463422103.db2.gz PYMMJVYURCHCQZ-WAYWQWQTSA-N -1 0 338.117 2.317 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000083955316 463568230 /nfs/dbraw/zinc/56/82/30/463568230.db2.gz UVRICUPZQHCMBH-UHFFFAOYSA-N -1 0 328.375 2.118 20 5 EEBDRM CC(=O)N1CCc2cc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc21 ZINC000164021674 463612703 /nfs/dbraw/zinc/61/27/03/463612703.db2.gz KGHSNKKPNPRKSI-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC000194726131 463917376 /nfs/dbraw/zinc/91/73/76/463917376.db2.gz QPLMWYRAGBIGQG-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM Cc1cc(N2CC[C@H](C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262104098 463947363 /nfs/dbraw/zinc/94/73/63/463947363.db2.gz JIPITDMSEYYZSW-LBPRGKRZSA-N -1 0 328.328 2.271 20 5 EEBDRM Nc1ccc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262109448 463949656 /nfs/dbraw/zinc/94/96/56/463949656.db2.gz HQMKAZATWUKBMG-YPMHNXCESA-N -1 0 335.360 2.330 20 5 EEBDRM O=C(c1c([O-])cccc1F)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000186649686 464042100 /nfs/dbraw/zinc/04/21/00/464042100.db2.gz KZKGNCNRWMOBAW-SNVBAGLBSA-N -1 0 346.318 2.161 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000263266894 464074293 /nfs/dbraw/zinc/07/42/93/464074293.db2.gz VOKTXJWXEJIOFM-NEPJUHHUSA-N -1 0 335.360 2.109 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cccnc2N(C)C)ccc1[N+](=O)[O-] ZINC000187731600 464155445 /nfs/dbraw/zinc/15/54/45/464155445.db2.gz SRXOEORFEQPRRJ-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(=O)[O-] ZINC000236960163 464245320 /nfs/dbraw/zinc/24/53/20/464245320.db2.gz BUNUGUBUBYTZSU-CQSZACIVSA-N -1 0 349.387 2.424 20 5 EEBDRM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000174263806 464386085 /nfs/dbraw/zinc/38/60/85/464386085.db2.gz ZNNOTTMLHJRILQ-OAQYLSRUSA-N -1 0 340.382 2.133 20 5 EEBDRM Cn1nnc2cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])ccc21 ZINC000180780859 464392754 /nfs/dbraw/zinc/39/27/54/464392754.db2.gz OELAGZVVVURFEH-UHFFFAOYSA-N -1 0 347.718 2.488 20 5 EEBDRM CC(C)OCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286589915 464971061 /nfs/dbraw/zinc/97/10/61/464971061.db2.gz XCAIDDDOAUPMGQ-UHFFFAOYSA-N -1 0 340.760 2.091 20 5 EEBDRM COCCOc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356350306 465331261 /nfs/dbraw/zinc/33/12/61/465331261.db2.gz VGCGNONDQSQGJJ-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000593921663 468435824 /nfs/dbraw/zinc/43/58/24/468435824.db2.gz GJBRQTCZBBIPIC-CABZTGNLSA-N -1 0 326.374 2.397 20 5 EEBDRM O=C([N-]c1n[nH]c(-c2cc3ccccc3o2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000362244540 465602613 /nfs/dbraw/zinc/60/26/13/465602613.db2.gz MMUDEVJLGQQXSA-UHFFFAOYSA-N -1 0 339.271 2.102 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccncc1F ZINC000337962188 465712248 /nfs/dbraw/zinc/71/22/48/465712248.db2.gz JTXMCHZSMFCKDZ-QMMMGPOBSA-N -1 0 343.311 2.308 20 5 EEBDRM CN(C)C(=O)CN(Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000340291600 465956813 /nfs/dbraw/zinc/95/68/13/465956813.db2.gz QTLFNQIFYNUCNL-UHFFFAOYSA-N -1 0 329.356 2.395 20 5 EEBDRM Cc1cnc(OC2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)nc1 ZINC000594020958 468464316 /nfs/dbraw/zinc/46/43/16/468464316.db2.gz MKVIWFGMLUHFOQ-UHFFFAOYSA-N -1 0 344.371 2.442 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCOc2cccc(F)c2C1 ZINC000367284245 466238739 /nfs/dbraw/zinc/23/87/39/466238739.db2.gz DGSSJXJWEHOSJN-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM CCCc1nc(=NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)s[n-]1 ZINC000332150135 466414209 /nfs/dbraw/zinc/41/42/09/466414209.db2.gz LJETUHGCHHTRII-UHFFFAOYSA-N -1 0 347.400 2.411 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1[O-] ZINC000320365202 466609149 /nfs/dbraw/zinc/60/91/49/466609149.db2.gz SCOPJJAZLVAWJG-UHFFFAOYSA-N -1 0 334.353 2.047 20 5 EEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000322978935 466635153 /nfs/dbraw/zinc/63/51/53/466635153.db2.gz VDUCKMDPBOVBMU-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C([O-])C1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000324145163 466644100 /nfs/dbraw/zinc/64/41/00/466644100.db2.gz AAIHRZJYAARRLH-UHFFFAOYSA-N -1 0 332.316 2.299 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000324209765 466644858 /nfs/dbraw/zinc/64/48/58/466644858.db2.gz NUNCSMAXLWUIJN-ZDUSSCGKSA-N -1 0 331.328 2.269 20 5 EEBDRM COc1ccc2c(c1)OCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000374759671 466734845 /nfs/dbraw/zinc/73/48/45/466734845.db2.gz GVYVKWMOEZRVLW-UHFFFAOYSA-N -1 0 344.323 2.344 20 5 EEBDRM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1O ZINC000436513245 467543020 /nfs/dbraw/zinc/54/30/20/467543020.db2.gz MEDYQYXSPFGSNZ-UHFFFAOYSA-N -1 0 346.295 2.353 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000532262718 468106308 /nfs/dbraw/zinc/10/63/08/468106308.db2.gz KHCICRZYFXMNPZ-SNVBAGLBSA-N -1 0 338.385 2.447 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2nnc(C(C)C)s2)n1 ZINC000575871622 468155322 /nfs/dbraw/zinc/15/53/22/468155322.db2.gz JTIXHBIUNCWGKD-UHFFFAOYSA-N -1 0 337.361 2.583 20 5 EEBDRM CC(C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000578503304 468209147 /nfs/dbraw/zinc/20/91/47/468209147.db2.gz PYECPKWVQUBOLT-SECBINFHSA-N -1 0 330.362 2.006 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)N1C ZINC000569578631 468513733 /nfs/dbraw/zinc/51/37/33/468513733.db2.gz MCXQMQHNJKOBLF-DTORHVGOSA-N -1 0 327.768 2.118 20 5 EEBDRM Cn1cc([C@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2(C)C)cn1 ZINC000556905933 468598415 /nfs/dbraw/zinc/59/84/15/468598415.db2.gz RKJBTSKDQYEJIN-CQSZACIVSA-N -1 0 330.344 2.257 20 5 EEBDRM CC(C)N(CC1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000592135885 468634427 /nfs/dbraw/zinc/63/44/27/468634427.db2.gz NZUAUUVCJGMNMI-UHFFFAOYSA-N -1 0 342.373 2.102 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000594673253 468649277 /nfs/dbraw/zinc/64/92/77/468649277.db2.gz GMIVVUQNDJFJRV-UHFFFAOYSA-N -1 0 344.389 2.025 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000592204454 468654000 /nfs/dbraw/zinc/65/40/00/468654000.db2.gz DKDGZOGVJUKIMX-SUNKGSAMSA-N -1 0 335.360 2.408 20 5 EEBDRM CC(C)CO[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875404 468672971 /nfs/dbraw/zinc/67/29/71/468672971.db2.gz JRVBJQUKOHGMSG-BDJLRTHQSA-N -1 0 338.360 2.072 20 5 EEBDRM C[C@](NC(=O)CCC(F)(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876436 468673650 /nfs/dbraw/zinc/67/36/50/468673650.db2.gz QSRHSWOIWAIVHD-GFCCVEGCSA-N -1 0 334.250 2.353 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC3(C2)Oc2ccccc2O3)c1[N+](=O)[O-] ZINC000570931446 468716094 /nfs/dbraw/zinc/71/60/94/468716094.db2.gz PQOSQORVPWRASB-UHFFFAOYSA-N -1 0 343.295 2.066 20 5 EEBDRM C[C@H]1COC2(CCCC2)CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000595248216 468792498 /nfs/dbraw/zinc/79/24/98/468792498.db2.gz SDTAJMPNUACSPU-NSHDSACASA-N -1 0 348.355 2.467 20 5 EEBDRM O=C([O-])CCC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000595261380 468796297 /nfs/dbraw/zinc/79/62/97/468796297.db2.gz YNADGMOJLNSSRE-UHFFFAOYSA-N -1 0 349.387 2.424 20 5 EEBDRM CO[C@@H]1C[C@H](C(=O)[O-])N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000584236854 468826708 /nfs/dbraw/zinc/82/67/08/468826708.db2.gz AUGYMJXLRVOOBO-ZYHUDNBSSA-N -1 0 348.277 2.288 20 5 EEBDRM COc1ccc(CN(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1OC ZINC000592966618 468829850 /nfs/dbraw/zinc/82/98/50/468829850.db2.gz CDUPHDRTJVTUCH-UHFFFAOYSA-N -1 0 347.327 2.342 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@](CO)(C(C)C)C2)n1 ZINC000592979193 468832863 /nfs/dbraw/zinc/83/28/63/468832863.db2.gz VQEABCALTIXBLM-INIZCTEOSA-N -1 0 337.376 2.231 20 5 EEBDRM O=C([O-])CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000598660647 468949755 /nfs/dbraw/zinc/94/97/55/468949755.db2.gz BZGFOKIEVOYRES-UHFFFAOYSA-N -1 0 331.328 2.084 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC1(C(=O)[O-])CCC1 ZINC000595971063 469102636 /nfs/dbraw/zinc/10/26/36/469102636.db2.gz FJILJYANHALHAW-UHFFFAOYSA-N -1 0 331.328 2.240 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](C)Oc2cccc(F)c2)n1 ZINC000563205613 469198054 /nfs/dbraw/zinc/19/80/54/469198054.db2.gz DSQJZQOFLGMAGI-JTQLQIEISA-N -1 0 349.318 3.015 20 5 EEBDRM COCCOC[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000563205284 469199384 /nfs/dbraw/zinc/19/93/84/469199384.db2.gz UAKTUNWUPRRXPD-LBPRGKRZSA-N -1 0 338.360 2.091 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000611463913 469255623 /nfs/dbraw/zinc/25/56/23/469255623.db2.gz FFXBHIZCWRORKP-OAHLLOKOSA-N -1 0 332.287 2.219 20 5 EEBDRM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000611508396 469267186 /nfs/dbraw/zinc/26/71/86/469267186.db2.gz DGCHVYRLDPBVLJ-BXUZGUMPSA-N -1 0 330.340 2.195 20 5 EEBDRM CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000611561104 469279229 /nfs/dbraw/zinc/27/92/29/469279229.db2.gz JKBSICPSVDTPKX-OAHLLOKOSA-N -1 0 341.367 2.368 20 5 EEBDRM COC(=O)[C@@H](Cc1ccccc1)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000616142556 469380457 /nfs/dbraw/zinc/38/04/57/469380457.db2.gz ROGZKSPJMUPIAV-OAHLLOKOSA-N -1 0 330.340 2.174 20 5 EEBDRM CCOC[C@H](C(=O)[O-])N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000618939751 469477343 /nfs/dbraw/zinc/47/73/43/469477343.db2.gz MTSNYACIBVBRQS-LLVKDONJSA-N -1 0 345.739 2.202 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000619466384 469616198 /nfs/dbraw/zinc/61/61/98/469616198.db2.gz YGDNBEXNIJGXKQ-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nnn[n-]1 ZINC000187271608 533724570 /nfs/dbraw/zinc/72/45/70/533724570.db2.gz AHHWTXRPQMHJCE-QMMMGPOBSA-N -1 0 346.372 2.198 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262823287 536954872 /nfs/dbraw/zinc/95/48/72/536954872.db2.gz QAQXBHXZNWANKU-XYPYZODXSA-N -1 0 336.344 2.111 20 5 EEBDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000738291718 578008267 /nfs/dbraw/zinc/00/82/67/578008267.db2.gz PXPCUSMWAJLNTL-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1cc(C)n(CCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000738377372 578011677 /nfs/dbraw/zinc/01/16/77/578011677.db2.gz RXRMXCHGKZHNFA-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM CN(C)C(=O)Cc1ccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000737943819 576130052 /nfs/dbraw/zinc/13/00/52/576130052.db2.gz DLKBESPEKPCDOI-UHFFFAOYSA-N -1 0 344.327 2.062 20 5 EEBDRM Cc1ccc(NC(=O)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000738618130 577022436 /nfs/dbraw/zinc/02/24/36/577022436.db2.gz WXUFKZPZHJVZPY-UHFFFAOYSA-N -1 0 343.295 2.179 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000733061406 577201489 /nfs/dbraw/zinc/20/14/89/577201489.db2.gz LTSUCWPTDOPUTH-UHFFFAOYSA-N -1 0 343.405 2.132 20 5 EEBDRM CC(=O)Nc1ccc(O)c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000776196924 577454433 /nfs/dbraw/zinc/45/44/33/577454433.db2.gz MVJJJGRLZYFIKY-UHFFFAOYSA-N -1 0 331.284 2.217 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000767050525 577529769 /nfs/dbraw/zinc/52/97/69/577529769.db2.gz IJISPTPGHAEGRZ-MRXNPFEDSA-N -1 0 333.344 2.309 20 5 EEBDRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768892532 577565197 /nfs/dbraw/zinc/56/51/97/577565197.db2.gz VGIGEAGQYBPDPX-UHFFFAOYSA-N -1 0 342.354 2.365 20 5 EEBDRM C[C@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000753799788 577793867 /nfs/dbraw/zinc/79/38/67/577793867.db2.gz TVZZEVWXAATWNT-KWJWQAOWSA-N -1 0 338.385 2.287 20 5 EEBDRM Cn1c(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc2cc(F)ccc21 ZINC000755305990 577823395 /nfs/dbraw/zinc/82/33/95/577823395.db2.gz GWVOVQPFTLJFAO-UHFFFAOYSA-N -1 0 344.302 2.256 20 5 EEBDRM O=C([O-])CN(CCc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000738607092 578021028 /nfs/dbraw/zinc/02/10/28/578021028.db2.gz GDDTZMMYAUYOLT-UHFFFAOYSA-N -1 0 328.324 2.364 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738663906 578023206 /nfs/dbraw/zinc/02/32/06/578023206.db2.gz DCJZSQYMTOWQQT-CYBMUJFWSA-N -1 0 347.371 2.028 20 5 EEBDRM O=C([O-])N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000739373240 578050854 /nfs/dbraw/zinc/05/08/54/578050854.db2.gz HUNWEZCOLZJWND-LLVKDONJSA-N -1 0 348.359 2.041 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCSCC1 ZINC000740098640 578080712 /nfs/dbraw/zinc/08/07/12/578080712.db2.gz XCWBOKZMLIHAGD-UHFFFAOYSA-N -1 0 327.318 2.145 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000740164518 578083567 /nfs/dbraw/zinc/08/35/67/578083567.db2.gz XOPGADUOCAHURY-UHFFFAOYSA-N -1 0 336.325 2.163 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000740185796 578084626 /nfs/dbraw/zinc/08/46/26/578084626.db2.gz GFJYOGYQKDYMBE-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM CC(C)c1nnc(Sc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])n1C ZINC000735952062 578174764 /nfs/dbraw/zinc/17/47/64/578174764.db2.gz COTKONQHUGFWBE-UHFFFAOYSA-N -1 0 346.376 2.178 20 5 EEBDRM C[C@@H](CN1CCOCC1)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000736585413 578213358 /nfs/dbraw/zinc/21/33/58/578213358.db2.gz JCRVCYCGYYQWOQ-VIFPVBQESA-N -1 0 343.767 2.079 20 5 EEBDRM C[C@H](N(C)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000736630688 578215060 /nfs/dbraw/zinc/21/50/60/578215060.db2.gz XUBIABCGADDRQF-JTQLQIEISA-N -1 0 337.376 2.280 20 5 EEBDRM C[C@@H](N(C)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000736630689 578215086 /nfs/dbraw/zinc/21/50/86/578215086.db2.gz XUBIABCGADDRQF-SNVBAGLBSA-N -1 0 337.376 2.280 20 5 EEBDRM CCCc1n[nH]c(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000737039247 578234431 /nfs/dbraw/zinc/23/44/31/578234431.db2.gz VVBKYQGNGLDQMZ-UHFFFAOYSA-N -1 0 346.343 2.241 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(C(=O)[O-])CC1 ZINC000737153727 578241041 /nfs/dbraw/zinc/24/10/41/578241041.db2.gz GOVCECKBZXWUQX-UHFFFAOYSA-N -1 0 340.307 2.212 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(CC(=O)[O-])cs1 ZINC000737338776 578251327 /nfs/dbraw/zinc/25/13/27/578251327.db2.gz KKZQGYHAZRYOIG-UHFFFAOYSA-N -1 0 339.304 2.094 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000263154401 596915089 /nfs/dbraw/zinc/91/50/89/596915089.db2.gz MQZDFMLRGJWUCF-UHFFFAOYSA-N -1 0 335.360 2.034 20 5 EEBDRM CC(C)C[C@@H]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826840060 600803223 /nfs/dbraw/zinc/80/32/23/600803223.db2.gz LGVZKAAPVGNHMG-LBPRGKRZSA-N -1 0 349.387 2.282 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000833009659 601145728 /nfs/dbraw/zinc/14/57/28/601145728.db2.gz NNCSKNHLXWDBGD-UHFFFAOYSA-N -1 0 333.275 2.169 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000833190831 601182819 /nfs/dbraw/zinc/18/28/19/601182819.db2.gz ZVYCEOMMDIYSMN-VXGBXAGGSA-N -1 0 337.328 2.408 20 5 EEBDRM O=C([O-])CC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000093679881 601224791 /nfs/dbraw/zinc/22/47/91/601224791.db2.gz LFHXRBJGUIZMJG-UHFFFAOYSA-N -1 0 344.165 2.443 20 5 EEBDRM Nc1c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC000833089977 601287298 /nfs/dbraw/zinc/28/72/98/601287298.db2.gz KAWCYOWSEGDQSD-SNVBAGLBSA-N -1 0 341.323 2.396 20 5 EEBDRM CCC[C@H]1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829266247 601931176 /nfs/dbraw/zinc/93/11/76/601931176.db2.gz HVGCBSHGNJHSKJ-LBPRGKRZSA-N -1 0 349.387 2.426 20 5 EEBDRM CCC[NH+]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829507933 602249970 /nfs/dbraw/zinc/24/99/70/602249970.db2.gz LPBWSVRHHPNDDK-UHFFFAOYSA-N -1 0 327.768 2.478 20 5 EEBDRM CN(CCCC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)[O-] ZINC000828284541 603612311 /nfs/dbraw/zinc/61/23/11/603612311.db2.gz CGHRWPIBTDIBQA-UHFFFAOYSA-N -1 0 337.288 2.169 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000827006237 604432595 /nfs/dbraw/zinc/43/25/95/604432595.db2.gz JLQQGRUMPJNYMG-CQSZACIVSA-N -1 0 349.343 2.026 20 5 EEBDRM CCNc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000829809026 604711186 /nfs/dbraw/zinc/71/11/86/604711186.db2.gz PCSMEGWMCGPENS-UHFFFAOYSA-N -1 0 335.360 2.496 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1[N+](=O)[O-] ZINC000827097627 604932049 /nfs/dbraw/zinc/93/20/49/604932049.db2.gz UNKHROJURPWLEQ-NSHDSACASA-N -1 0 338.364 2.205 20 5 EEBDRM CC(C)C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000833480539 605054848 /nfs/dbraw/zinc/05/48/48/605054848.db2.gz PPISOTYAGXPZCX-CQSZACIVSA-N -1 0 347.327 2.437 20 5 EEBDRM O=C([O-])c1csc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000833784902 605462282 /nfs/dbraw/zinc/46/22/82/605462282.db2.gz SEIYFPDTWDRZRA-UHFFFAOYSA-N -1 0 336.281 2.336 20 5 EEBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000833419117 605528197 /nfs/dbraw/zinc/52/81/97/605528197.db2.gz ZFRIWCAVELZGPX-JTQLQIEISA-N -1 0 335.360 2.140 20 5 EEBDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120274485 674857586 /nfs/dbraw/zinc/85/75/86/674857586.db2.gz LOWSPQICZFVICA-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000178765784 681544261 /nfs/dbraw/zinc/54/42/61/681544261.db2.gz ILPVPALDBPMOBF-MRVPVSSYSA-N -1 0 332.765 2.099 20 5 EEBDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842310044 1188613589 /nfs/dbraw/zinc/61/35/89/1188613589.db2.gz GUKCUHKEDOPINJ-UONOGXRCSA-N -1 0 340.401 2.333 20 5 EEBDRM C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120623554 1198272253 /nfs/dbraw/zinc/27/22/53/1198272253.db2.gz XQNIHRMKLOWHNY-ZJUUUORDSA-N -1 0 344.364 2.365 20 5 EEBDRM CC(C)OCCO[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000812804786 1200938606 /nfs/dbraw/zinc/93/86/06/1200938606.db2.gz QBQVWDRWHOCIBD-UHFFFAOYSA-N -1 0 328.340 2.484 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779655014 1210708404 /nfs/dbraw/zinc/70/84/04/1210708404.db2.gz BEAATNHEEHKXBN-UHFFFAOYSA-N -1 0 347.283 2.147 20 5 EEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC=CCC1 ZINC000119972535 1229641080 /nfs/dbraw/zinc/64/10/80/1229641080.db2.gz XHRARDIFIQYIJH-VIFPVBQESA-N -1 0 344.776 2.409 20 5 EEBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853989258 1292572198 /nfs/dbraw/zinc/57/21/98/1292572198.db2.gz KMQIIFCLGHDRBM-SKDRFNHKSA-N -1 0 331.294 2.488 20 5 EEBDRM COc1ccc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)c(OC)c1 ZINC001213595983 1296102391 /nfs/dbraw/zinc/10/23/91/1296102391.db2.gz GFJAFOWKNAVYAT-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3cccc([O-])c3[N+](=O)[O-])C2)nc1 ZINC001225619582 1301096009 /nfs/dbraw/zinc/09/60/09/1301096009.db2.gz CXXSYRMEKKRDEK-NSHDSACASA-N -1 0 346.299 2.261 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H](C)c2ccc(C)nc2)c1[N+](=O)[O-] ZINC001226016613 1301233866 /nfs/dbraw/zinc/23/38/66/1301233866.db2.gz AHQFAUTXNBNKII-SECBINFHSA-N -1 0 348.315 2.111 20 5 EEBDRM Cc1cc(=O)[n-]c(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001226155175 1301279081 /nfs/dbraw/zinc/27/90/81/1301279081.db2.gz CWEKLJBKVYJRDN-UHFFFAOYSA-N -1 0 330.344 2.447 20 5 EEBDRM O=c1ccnc(OC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)[n-]1 ZINC001226327101 1301360238 /nfs/dbraw/zinc/36/02/38/1301360238.db2.gz QGHLIRMNQSVTDV-UHFFFAOYSA-N -1 0 334.307 2.277 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2cccc(F)c2)c1[N+](=O)[O-] ZINC001226652947 1301495780 /nfs/dbraw/zinc/49/57/80/1301495780.db2.gz PTNSBEJSMUGJRE-ZETCQYMHSA-N -1 0 337.263 2.156 20 5 EEBDRM O=c1cc(CNc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])o[n-]1 ZINC001158565273 1319309969 /nfs/dbraw/zinc/30/99/69/1319309969.db2.gz YTMSVTVQRCZRFX-UHFFFAOYSA-N -1 0 339.617 2.363 20 5 EEBDRM O=C([O-])c1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])s1)OCO2 ZINC001608502994 1351705847 /nfs/dbraw/zinc/70/58/47/1351705847.db2.gz KLAFUISNCXFZRB-UHFFFAOYSA-N -1 0 336.281 2.336 20 5 EEBDRM O=C([O-])[C@]12CN(c3cc(F)c([N+](=O)[O-])cc3CO)C[C@H]1CCCC2 ZINC001602206326 1350465572 /nfs/dbraw/zinc/46/55/72/1350465572.db2.gz JHSUTMBKLVKZDH-BDJLRTHQSA-N -1 0 338.335 2.307 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)[C@H]2Cc3cc(F)ccc3O2)cc1[N+](=O)[O-] ZINC001602389317 1350508789 /nfs/dbraw/zinc/50/87/89/1350508789.db2.gz VRRORBNCDWCEQF-CQSZACIVSA-N -1 0 347.254 2.341 20 5 EEBDRM CC(C)(CCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)[N+](=O)[O-] ZINC001603591694 1350726256 /nfs/dbraw/zinc/72/62/56/1350726256.db2.gz PBXXVJGKAMKAQL-RWMBFGLXSA-N -1 0 326.393 2.314 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001608670900 1351738462 /nfs/dbraw/zinc/73/84/62/1351738462.db2.gz YXLOVAZIQKGRRR-ZDUSSCGKSA-N -1 0 335.360 2.156 20 5 EEBDRM O=C([O-])c1cccc(OS(=O)(=O)CCC2CCC2)c1[N+](=O)[O-] ZINC001608937791 1351798512 /nfs/dbraw/zinc/79/85/12/1351798512.db2.gz RNOKDRVZKPTINM-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM O=C(Nc1cnn(Cc2cccnc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001319941714 1332799740 /nfs/dbraw/zinc/79/97/40/1332799740.db2.gz NWGFSNJGBWZUOV-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C([O-])c1cnc(N2CC[C@@H](Cc3nccs3)C2)c([N+](=O)[O-])c1 ZINC001608974131 1351806153 /nfs/dbraw/zinc/80/61/53/1351806153.db2.gz DEOOVBXIZLKNRG-VIFPVBQESA-N -1 0 334.357 2.214 20 5 EEBDRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001329795617 1334716599 /nfs/dbraw/zinc/71/65/99/1334716599.db2.gz YCOXRJHPJQLFQR-CYBMUJFWSA-N -1 0 332.353 2.318 20 5 EEBDRM CC1(C)C[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C(=O)O1 ZINC001609816247 1352092495 /nfs/dbraw/zinc/09/24/95/1352092495.db2.gz HDWVQYAMGKJTNL-SECBINFHSA-N -1 0 328.708 2.452 20 5 EEBDRM CN(CCC(F)(F)F)c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001339192621 1336973385 /nfs/dbraw/zinc/97/33/85/1336973385.db2.gz OFIATQQCFFIBMQ-UHFFFAOYSA-N -1 0 345.281 2.485 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2cccnc2O1 ZINC001609864536 1352106249 /nfs/dbraw/zinc/10/62/49/1352106249.db2.gz ACVZDSJSNRQEJV-VIFPVBQESA-N -1 0 343.295 2.116 20 5 EEBDRM CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001609898892 1352114186 /nfs/dbraw/zinc/11/41/86/1352114186.db2.gz HJYDMVWCNPJLNE-ZJUUUORDSA-N -1 0 344.389 2.396 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)CSc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001609901390 1352115273 /nfs/dbraw/zinc/11/52/73/1352115273.db2.gz NNPDRWHSPCIMSC-NOZJJQNGSA-N -1 0 326.374 2.302 20 5 EEBDRM CN1CCO[C@H](CSc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001610137594 1352171365 /nfs/dbraw/zinc/17/13/65/1352171365.db2.gz SFJGTDVJIYDLPE-PYEVWLCESA-N -1 0 338.385 2.115 20 5 EEBDRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892714 1338365935 /nfs/dbraw/zinc/36/59/35/1338365935.db2.gz HQXARFQNEKFNEB-LLVKDONJSA-N -1 0 343.405 2.401 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001610347882 1352209174 /nfs/dbraw/zinc/20/91/74/1352209174.db2.gz NDAQHDQTIDVTKR-MLGOLLRUSA-N -1 0 336.344 2.367 20 5 EEBDRM Cn1c(=O)c2cc3ccccc3cc2nc1SC[C@H](O)CC(=O)[O-] ZINC001610598622 1352251527 /nfs/dbraw/zinc/25/15/27/1352251527.db2.gz DPQDIHRNRFQLHG-GFCCVEGCSA-N -1 0 344.392 2.014 20 5 EEBDRM Cn1cnc([N+](=O)[O-])c1N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001610611361 1352253994 /nfs/dbraw/zinc/25/39/94/1352253994.db2.gz PYNLYWVEAPACEL-UHFFFAOYSA-N -1 0 340.286 2.088 20 5 EEBDRM O=C([O-])c1c[nH]c(=O)c(NC(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC001610672614 1352259378 /nfs/dbraw/zinc/25/93/78/1352259378.db2.gz KCRJCCKZKXBNEU-UHFFFAOYSA-N -1 0 349.324 2.124 20 5 EEBDRM O=C([O-])C(=O)CCCOC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001610713868 1352263682 /nfs/dbraw/zinc/26/36/82/1352263682.db2.gz XFTBFAXQQPDIBT-UHFFFAOYSA-N -1 0 349.217 2.204 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCCNc2ncccn2)c([N+](=O)[O-])c1 ZINC001610750302 1352268723 /nfs/dbraw/zinc/26/87/23/1352268723.db2.gz CWOABTYLWJLZSO-XQRVVYSFSA-N -1 0 343.343 2.397 20 5 EEBDRM O=C([O-])COc1ccc(CN[C@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC001610786797 1352274419 /nfs/dbraw/zinc/27/44/19/1352274419.db2.gz PFIIUOMFWQSUHS-CYBMUJFWSA-N -1 0 348.277 2.489 20 5 EEBDRM O=C([O-])c1ccc(OCc2cnn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC001610837850 1352282890 /nfs/dbraw/zinc/28/28/90/1352282890.db2.gz OHVUNJYBBQPWMK-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1nn(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2c1CCCC2 ZINC001610871538 1352288350 /nfs/dbraw/zinc/28/83/50/1352288350.db2.gz NPDCESPLPMFKIL-CQSZACIVSA-N -1 0 331.328 2.102 20 5 EEBDRM Cc1cc(F)c(-c2nn[nH]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001580932961 1344573461 /nfs/dbraw/zinc/57/34/61/1344573461.db2.gz BJCHCYLDECUEEZ-UHFFFAOYSA-N -1 0 342.290 2.475 20 5 EEBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc(-c2nn[nH]n2)c1 ZINC001592032301 1349586270 /nfs/dbraw/zinc/58/62/70/1349586270.db2.gz YCMWXVBDMBVNNE-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM Cc1nnc([C@H](C)Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)s1 ZINC001592440743 1349632759 /nfs/dbraw/zinc/63/27/59/1349632759.db2.gz KHUJPLJURMWCOL-LURJTMIESA-N -1 0 332.349 2.108 20 5 EEBDRM O=[N+]([O-])c1ccc(Oc2ccc(F)nc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001593482948 1349814207 /nfs/dbraw/zinc/81/42/07/1349814207.db2.gz ZZYHVQWEZXWMMX-UHFFFAOYSA-N -1 0 347.222 2.010 20 5 EEBDRM Cc1c(CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC001600011929 1349954984 /nfs/dbraw/zinc/95/49/84/1349954984.db2.gz MINCNHCCAGPMQX-UONOGXRCSA-N -1 0 347.371 2.155 20 5 EEBDRM Cc1c(NC(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1CC(=O)[O-] ZINC001600045412 1349961398 /nfs/dbraw/zinc/96/13/98/1349961398.db2.gz JBCNIMPTAPOZNZ-UHFFFAOYSA-N -1 0 333.304 2.137 20 5 EEBDRM Cc1cc(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)ccc1[N+](=O)[O-] ZINC001600091460 1349969381 /nfs/dbraw/zinc/96/93/81/1349969381.db2.gz WDTHIAWTTRBKID-JZLYGMAVSA-N -1 0 348.355 2.045 20 5 EEBDRM Cc1cc(C)cc([C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001600170356 1349984757 /nfs/dbraw/zinc/98/47/57/1349984757.db2.gz VXGBSACQRGUZAB-HNNXBMFYSA-N -1 0 343.339 2.350 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001600305430 1350015983 /nfs/dbraw/zinc/01/59/83/1350015983.db2.gz XXTUARIWDWQWCX-NEPJUHHUSA-N -1 0 337.328 2.326 20 5 EEBDRM Cc1cccc(OC[C@@H](O)CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001600544730 1350078396 /nfs/dbraw/zinc/07/83/96/1350078396.db2.gz PZRXIRDQEMLOFF-ZDUSSCGKSA-N -1 0 346.339 2.453 20 5 EEBDRM Cc1sc(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)cc1[N+](=O)[O-] ZINC001600865753 1350155490 /nfs/dbraw/zinc/15/54/90/1350155490.db2.gz REFVIHYARDOQGU-OAHLLOKOSA-N -1 0 349.368 2.480 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)n1 ZINC001600969729 1350179047 /nfs/dbraw/zinc/17/90/47/1350179047.db2.gz OYJILOFDYXLXQO-UHFFFAOYSA-N -1 0 344.327 2.010 20 5 EEBDRM Cn1nc(CCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c2ccccc21 ZINC001601010483 1350189500 /nfs/dbraw/zinc/18/95/00/1350189500.db2.gz PHKHIZJEBSXKES-UHFFFAOYSA-N -1 0 341.327 2.229 20 5 EEBDRM NC(=O)CC1(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001601147632 1350220621 /nfs/dbraw/zinc/22/06/21/1350220621.db2.gz PEYVQKOXIVGWQO-UHFFFAOYSA-N -1 0 327.724 2.014 20 5 EEBDRM NC(=O)c1ccc(CSCc2cccc(C(=O)[O-])n2)c([N+](=O)[O-])c1 ZINC001601166463 1350223986 /nfs/dbraw/zinc/22/39/86/1350223986.db2.gz MUFNSRHKJOQMHS-UHFFFAOYSA-N -1 0 347.352 2.220 20 5 EEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001601240560 1350239704 /nfs/dbraw/zinc/23/97/04/1350239704.db2.gz OEGVOEGMPLYXCM-XIFIZFKCSA-N -1 0 330.340 2.224 20 5 EEBDRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001601408192 1350277430 /nfs/dbraw/zinc/27/74/30/1350277430.db2.gz CHZDZDRVLKZVEG-WCBMZHEXSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])CCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001601969877 1350407761 /nfs/dbraw/zinc/40/77/61/1350407761.db2.gz RDPOASINUQVBNN-NSHDSACASA-N -1 0 338.213 2.318 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC001602187472 1350460597 /nfs/dbraw/zinc/46/05/97/1350460597.db2.gz CPORTNNPIZNCMO-QWHCGFSZSA-N -1 0 335.385 2.334 20 5 EEBDRM O=C([O-])[C@]12CN(c3ccc4cnccc4c3[N+](=O)[O-])C[C@H]1COCC2 ZINC001602208270 1350465932 /nfs/dbraw/zinc/46/59/32/1350465932.db2.gz IYMXEQMFMRIOPX-YVEFUNNKSA-N -1 0 343.339 2.071 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@H]2CCC3(CCC3)O2)cc([N+](=O)[O-])c1 ZINC001602246189 1350475576 /nfs/dbraw/zinc/47/55/76/1350475576.db2.gz JNWCVQZTKYVYGC-CYBMUJFWSA-N -1 0 334.328 2.125 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@H]2Cc3ccccc3O2)cc([N+](=O)[O-])c1 ZINC001602246331 1350475612 /nfs/dbraw/zinc/47/56/12/1350475612.db2.gz SZXLKAOGQBQUCC-CQSZACIVSA-N -1 0 342.307 2.027 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2nccc(C3CC3)n2)cc([N+](=O)[O-])c1 ZINC001602249155 1350476365 /nfs/dbraw/zinc/47/63/65/1350476365.db2.gz JHUNHSPHQGJTGB-UHFFFAOYSA-N -1 0 328.284 2.213 20 5 EEBDRM O=C([O-])c1ccc(OC[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC001602391547 1350509524 /nfs/dbraw/zinc/50/95/24/1350509524.db2.gz YBECGVSYMOQIOG-CYBMUJFWSA-N -1 0 347.323 2.250 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001602482360 1350529184 /nfs/dbraw/zinc/52/91/84/1350529184.db2.gz JCVMUKZZIZKRHR-UHFFFAOYSA-N -1 0 342.311 2.278 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001603242040 1350670096 /nfs/dbraw/zinc/67/00/96/1350670096.db2.gz JXQZGYJLKVJGNS-UHFFFAOYSA-N -1 0 329.692 2.085 20 5 EEBDRM C[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C(=O)[O-])C1 ZINC001604757551 1350998246 /nfs/dbraw/zinc/99/82/46/1350998246.db2.gz VTJUGCVNBIBTMR-MFKMUULPSA-N -1 0 346.343 2.330 20 5 EEBDRM CCCCCN(CC(N)=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001605268855 1351120899 /nfs/dbraw/zinc/12/08/99/1351120899.db2.gz HNZPMIVSWCZEMF-UHFFFAOYSA-N -1 0 343.767 2.428 20 5 EEBDRM CCCc1[nH]nc(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001605364964 1351145112 /nfs/dbraw/zinc/14/51/12/1351145112.db2.gz WETGHKRJIZLESA-GFCCVEGCSA-N -1 0 347.327 2.123 20 5 EEBDRM CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C(=O)[O-] ZINC001605399435 1351153454 /nfs/dbraw/zinc/15/34/54/1351153454.db2.gz MNLCNUBUIUZFKX-UHFFFAOYSA-N -1 0 347.327 2.174 20 5 EEBDRM CCOc1ncccc1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001605722445 1351217941 /nfs/dbraw/zinc/21/79/41/1351217941.db2.gz ZOXLHVRWYGONCL-UHFFFAOYSA-N -1 0 347.327 2.464 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cn1 ZINC001605857166 1351238546 /nfs/dbraw/zinc/23/85/46/1351238546.db2.gz ACGMSYOCKXDFNE-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001606114719 1351272766 /nfs/dbraw/zinc/27/27/66/1351272766.db2.gz NGDVLGJTTFEACN-UHFFFAOYSA-N -1 0 326.324 2.335 20 5 EEBDRM CO[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001606770761 1351354441 /nfs/dbraw/zinc/35/44/41/1351354441.db2.gz HZCIJLQAUBVBPH-BXUZGUMPSA-N -1 0 328.752 2.312 20 5 EEBDRM CON(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](C)CC(=O)[O-] ZINC001606984734 1351392215 /nfs/dbraw/zinc/39/22/15/1351392215.db2.gz NDLGCRAOXJPAHP-ZJUUUORDSA-N -1 0 342.373 2.329 20 5 EEBDRM O=[N+]([O-])c1cn(CCCc2ccc(Cl)cc2)nc1-c1nnn[n-]1 ZINC001607085119 1351411862 /nfs/dbraw/zinc/41/18/62/1351411862.db2.gz JZJHZWOONITWTC-UHFFFAOYSA-N -1 0 333.739 2.258 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC001607292214 1351466225 /nfs/dbraw/zinc/46/62/25/1351466225.db2.gz ZLSJWZPDHUODIZ-LRDDRELGSA-N -1 0 336.344 2.367 20 5 EEBDRM COc1ccccc1C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C(=O)[O-] ZINC001607345828 1351479101 /nfs/dbraw/zinc/47/91/01/1351479101.db2.gz ZLDLTPOYUYWIBW-NSHDSACASA-N -1 0 347.327 2.059 20 5 EEBDRM Cc1c(NC(=O)NC2(CO)CCCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607543356 1351513189 /nfs/dbraw/zinc/51/31/89/1351513189.db2.gz WIISAGFWVTXZQC-UHFFFAOYSA-N -1 0 337.332 2.028 20 5 EEBDRM Cc1cc(N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(F)cc1[N+](=O)[O-] ZINC001607669349 1351536443 /nfs/dbraw/zinc/53/64/43/1351536443.db2.gz HKCHSZZYCDUPGB-SNVBAGLBSA-N -1 0 349.322 2.174 20 5 EEBDRM Cc1cc(N2CCC3(CCN(C)C3=O)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607670369 1351536685 /nfs/dbraw/zinc/53/66/85/1351536685.db2.gz XMDNQQHWZKBCMK-UHFFFAOYSA-N -1 0 347.371 2.050 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001608273234 1351660888 /nfs/dbraw/zinc/66/08/88/1351660888.db2.gz IBMBQITYKKNHCM-AWEZNQCLSA-N -1 0 347.302 2.262 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC001608278877 1351661964 /nfs/dbraw/zinc/66/19/64/1351661964.db2.gz KONHCNYNTJKXDP-AZAGILFBSA-N -1 0 344.367 2.412 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1O ZINC001608361168 1351678836 /nfs/dbraw/zinc/67/88/36/1351678836.db2.gz YCSHBPAEFFMBFV-UHFFFAOYSA-N -1 0 334.259 2.319 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC001608455583 1351698934 /nfs/dbraw/zinc/69/89/34/1351698934.db2.gz ZXWAHLDGNXHUCC-CQSZACIVSA-N -1 0 345.311 2.249 20 5 EEBDRM C[C@@H]1CC=C(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000850886273 1367163439 /nfs/dbraw/zinc/16/34/39/1367163439.db2.gz SEKPAOQMCZZUQM-SECBINFHSA-N -1 0 342.348 2.285 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C12CCC(CC1)C2 ZINC000784835222 1371446746 /nfs/dbraw/zinc/44/67/46/1371446746.db2.gz ISDUERKHKXDJGJ-UHFFFAOYSA-N -1 0 338.385 2.288 20 5 EEBDRM CN(CC(=O)O[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001606088613 1404766138 /nfs/dbraw/zinc/76/61/38/1404766138.db2.gz BBUXJRZWHJCMAG-RYUDHWBXSA-N -1 0 336.344 2.218 20 5 EEBDRM CCc1ccc([C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000804154036 785540907 /nfs/dbraw/zinc/54/09/07/785540907.db2.gz NUZQXVCQQONQPT-INIZCTEOSA-N -1 0 330.340 2.326 20 5 EEBDRM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000820309303 785861467 /nfs/dbraw/zinc/86/14/67/785861467.db2.gz YALXXVBBFPFJPM-KOLCDFICSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](CCO)Cc2ccccc2)n1 ZINC000844219831 788909578 /nfs/dbraw/zinc/90/95/78/788909578.db2.gz XEPUNUMEWSDQDO-CYBMUJFWSA-N -1 0 345.355 2.402 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@H]2COC3(CCCCC3)O2)c1[N+](=O)[O-] ZINC000844210783 788928638 /nfs/dbraw/zinc/92/86/38/788928638.db2.gz IBJBAQIJSHAUKL-SNVBAGLBSA-N -1 0 337.332 2.176 20 5 EEBDRM Nc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000786621098 806823119 /nfs/dbraw/zinc/82/31/19/806823119.db2.gz OXPCVELSUPEZRO-UHFFFAOYSA-N -1 0 329.312 2.447 20 5 EEBDRM CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000793145633 810160823 /nfs/dbraw/zinc/16/08/23/810160823.db2.gz XLWXCZGKTDNSGU-UHFFFAOYSA-N -1 0 344.370 2.491 20 5 EEBDRM COc1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000793798550 810528733 /nfs/dbraw/zinc/52/87/33/810528733.db2.gz AATAJXGOLHKFIX-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM CSCCO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000794181938 810700937 /nfs/dbraw/zinc/70/09/37/810700937.db2.gz YKVFBQROYBIHSC-MRVPVSSYSA-N -1 0 334.781 2.426 20 5 EEBDRM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000804492601 810899201 /nfs/dbraw/zinc/89/92/01/810899201.db2.gz XKSNTZTVOHUIAF-XHDPSFHLSA-N -1 0 330.340 2.461 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000516904905 939246114 /nfs/dbraw/zinc/24/61/14/939246114.db2.gz PYQAKTSMXGTIKT-CYBMUJFWSA-N -1 0 349.368 2.324 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001589306366 953744519 /nfs/dbraw/zinc/74/45/19/953744519.db2.gz UVFXMYBLCZNADE-QWRGUYRKSA-N -1 0 345.355 2.330 20 5 EEBDRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001589337942 954010905 /nfs/dbraw/zinc/01/09/05/954010905.db2.gz ZYQXBSAEDSWFIZ-AQNFWKISSA-N -1 0 332.356 2.268 20 5 EEBDRM O=C([O-])[C@@H]1COCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001594958390 954998577 /nfs/dbraw/zinc/99/85/77/954998577.db2.gz GRQFEOPMTBGJIX-ZDUSSCGKSA-N -1 0 347.302 2.086 20 5 EEBDRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001594564599 955826876 /nfs/dbraw/zinc/82/68/76/955826876.db2.gz WCBXNKNYHPBILJ-UHFFFAOYSA-N -1 0 344.327 2.010 20 5 EEBDRM O=C([O-])c1n[nH]cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001594689510 956738333 /nfs/dbraw/zinc/73/83/33/956738333.db2.gz TWGMTUTWXHFNMV-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM COCCN(CCC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC001594005639 956970120 /nfs/dbraw/zinc/97/01/20/956970120.db2.gz IGWHNVOQCQFBTG-UHFFFAOYSA-N -1 0 345.739 2.203 20 5 EEBDRM CON(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)C(=O)[O-] ZINC001594034244 957794446 /nfs/dbraw/zinc/79/44/46/957794446.db2.gz BVMPUGKUAAPFFU-MRVPVSSYSA-N -1 0 330.724 2.044 20 5 EEBDRM COc1cc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC001594050873 957989370 /nfs/dbraw/zinc/98/93/70/957989370.db2.gz QLZPPPRWITWLJQ-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM COc1ccc(C(=O)NCc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001594077434 958229284 /nfs/dbraw/zinc/22/92/84/958229284.db2.gz SRSWGTHVHAAKDP-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001574546440 961948543 /nfs/dbraw/zinc/94/85/43/961948543.db2.gz AAYDUEVZJAXLFW-CYBMUJFWSA-N -1 0 349.730 2.069 20 5 EEBDRM O=C([O-])C1(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC001574633341 962311632 /nfs/dbraw/zinc/31/16/32/962311632.db2.gz HGXWVULCNOJWSY-UHFFFAOYSA-N -1 0 346.261 2.485 20 5 EEBDRM O=C([O-])/C=C\c1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])co1 ZINC001574665766 962505723 /nfs/dbraw/zinc/50/57/23/962505723.db2.gz MJHMBVCKJOPWRP-PLNGDYQASA-N -1 0 328.280 2.489 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159000305 967652423 /nfs/dbraw/zinc/65/24/23/967652423.db2.gz QRYSSBXSXAJAAZ-VIFPVBQESA-N -1 0 343.133 2.047 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC001603360165 972822570 /nfs/dbraw/zinc/82/25/70/972822570.db2.gz NGRRFAAPFFEDAU-YPMHNXCESA-N -1 0 345.355 2.119 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001603380015 972944664 /nfs/dbraw/zinc/94/46/64/972944664.db2.gz CCKROMKACBUTHO-DGCLKSJQSA-N -1 0 348.355 2.269 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001605309714 973128132 /nfs/dbraw/zinc/12/81/32/973128132.db2.gz JJKWZLFYAKHXDR-UHFFFAOYSA-N -1 0 346.343 2.480 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccn1 ZINC001592303487 977657961 /nfs/dbraw/zinc/65/79/61/977657961.db2.gz LGZMMWGGSSNHCT-MRXNPFEDSA-N -1 0 347.302 2.249 20 5 EEBDRM C[C@@H](CC(=O)[O-])CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001592401151 977965712 /nfs/dbraw/zinc/96/57/12/977965712.db2.gz IDVJQVCWDPPBFT-VIFPVBQESA-N -1 0 339.300 2.005 20 5 EEBDRM O=C([O-])C1=CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000864162049 979778825 /nfs/dbraw/zinc/77/88/25/979778825.db2.gz FVYDQHJASNSSFZ-CYBMUJFWSA-N -1 0 345.355 2.098 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1C1CC1 ZINC001595187206 979840648 /nfs/dbraw/zinc/84/06/48/979840648.db2.gz ZCXZLNQWBPWIEB-UONOGXRCSA-N -1 0 343.339 2.259 20 5 EEBDRM CC[C@@]1(C)CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCO1 ZINC001595370246 980841048 /nfs/dbraw/zinc/84/10/48/980841048.db2.gz HDRIKDWSRLVQMU-INIZCTEOSA-N -1 0 338.360 2.059 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001594901068 982354590 /nfs/dbraw/zinc/35/45/90/982354590.db2.gz DFTAMJVTEPDCOA-YGRLFVJLSA-N -1 0 340.401 2.444 20 5 EEBDRM CC[C@H](C)NC(=O)CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001594989068 982838566 /nfs/dbraw/zinc/83/85/66/982838566.db2.gz DXSWKMUAKXXSHB-XOIDGJRKSA-N -1 0 335.360 2.409 20 5 EEBDRM CCOC(=O)[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001596577037 984488271 /nfs/dbraw/zinc/48/82/71/984488271.db2.gz XTVSVEKVKNASOE-LLVKDONJSA-N -1 0 336.344 2.381 20 5 EEBDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC001589520701 987162754 /nfs/dbraw/zinc/16/27/54/987162754.db2.gz BQQSSCVVIFVCEK-QMMMGPOBSA-N -1 0 330.300 2.012 20 5 EEBDRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001597465330 987903717 /nfs/dbraw/zinc/90/37/17/987903717.db2.gz UDGQWGRMVUSMHW-UHFFFAOYSA-N -1 0 330.300 2.085 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])n1 ZINC001597899860 989772871 /nfs/dbraw/zinc/77/28/71/989772871.db2.gz UQTOGLSLDABZLL-UHFFFAOYSA-N -1 0 340.380 2.020 20 5 EEBDRM CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598007008 990163096 /nfs/dbraw/zinc/16/30/96/990163096.db2.gz RVFOZXUHZCBSAC-YYRKOSNBSA-N -1 0 348.355 2.089 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC001599622298 994100915 /nfs/dbraw/zinc/10/09/15/994100915.db2.gz XKPLLWBVWCOJLF-UHFFFAOYSA-N -1 0 336.325 2.293 20 5 EEBDRM COc1cccc(C(=O)NCc2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC001599642433 994377853 /nfs/dbraw/zinc/37/78/53/994377853.db2.gz MKOVKBULYCATFA-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM C[C@@H](OC(=O)c1occc1C(=O)[O-])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001593601675 995759326 /nfs/dbraw/zinc/75/93/26/995759326.db2.gz SKVFWTOUZDLFEU-MRVPVSSYSA-N -1 0 348.267 2.070 20 5 EEBDRM COC[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001599205702 997402895 /nfs/dbraw/zinc/40/28/95/997402895.db2.gz PFFMYHJDXLWVDF-SNVBAGLBSA-N -1 0 337.332 2.102 20 5 EEBDRM COC[C@@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001599207119 997428880 /nfs/dbraw/zinc/42/88/80/997428880.db2.gz IWRFJXIKBXXHGI-BDAKNGLRSA-N -1 0 344.751 2.187 20 5 EEBDRM COc1cc(N2CCSC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1C ZINC001599427732 997705303 /nfs/dbraw/zinc/70/53/03/997705303.db2.gz BFHMWDVHEDBYBP-SNVBAGLBSA-N -1 0 326.374 2.166 20 5 EEBDRM CO[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@](C)(C(=O)[O-])C1 ZINC001599129201 997910007 /nfs/dbraw/zinc/91/00/07/997910007.db2.gz FCCQKEUJLMRKIW-BDJLRTHQSA-N -1 0 348.311 2.045 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000067116672 215113827 /nfs/dbraw/zinc/11/38/27/215113827.db2.gz SQVBPFOTVCVVEG-UHFFFAOYSA-N -1 0 349.368 2.057 20 5 EEBDRM C[C@H](N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1)C(F)(F)F ZINC000179537008 233146069 /nfs/dbraw/zinc/14/60/69/233146069.db2.gz MRMUXNAGDFQXHJ-VIFPVBQESA-N -1 0 347.293 2.009 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)n1 ZINC000036905007 213125579 /nfs/dbraw/zinc/12/55/79/213125579.db2.gz ICUJXQZMCAWURS-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM O=C(NCc1ccc(OC(F)F)cn1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000447187704 242252735 /nfs/dbraw/zinc/25/27/35/242252735.db2.gz UAMMVHDHIJNSNN-UHFFFAOYSA-N -1 0 339.254 2.227 20 5 EEBDRM CCCCCC[C@@](C)(NC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-] ZINC000236698297 242324931 /nfs/dbraw/zinc/32/49/31/242324931.db2.gz HGYPNKXKUHAEJI-OAHLLOKOSA-N -1 0 340.380 2.180 20 5 EEBDRM COCCOCc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000453025883 243378440 /nfs/dbraw/zinc/37/84/40/243378440.db2.gz MHBAZBVAXYJTNQ-SREVYHEPSA-N -1 0 347.327 2.129 20 5 EEBDRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262986712 245284494 /nfs/dbraw/zinc/28/44/94/245284494.db2.gz NTIUALYRNLFQMI-OAHLLOKOSA-N -1 0 334.332 2.090 20 5 EEBDRM O=C(/C=C\c1ccccc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000491883215 246195323 /nfs/dbraw/zinc/19/53/23/246195323.db2.gz LIFISYNFRPIDRV-SREVYHEPSA-N -1 0 338.366 2.175 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492212912 246350062 /nfs/dbraw/zinc/35/00/62/246350062.db2.gz DYBUCAWHHJOXII-MALLOTDXSA-N -1 0 336.319 2.460 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000262503141 152285875 /nfs/dbraw/zinc/28/58/75/152285875.db2.gz YYZURKBZPJMSMT-UHFFFAOYSA-N -1 0 335.360 2.110 20 5 EEBDRM O=C([O-])CC1(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000262559203 152291773 /nfs/dbraw/zinc/29/17/73/152291773.db2.gz ZBQRBYBLLCDHRI-UHFFFAOYSA-N -1 0 331.328 2.063 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000263031531 152360762 /nfs/dbraw/zinc/36/07/62/152360762.db2.gz OPTBJWXLGIXRKZ-SECBINFHSA-N -1 0 330.287 2.358 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263157358 152389788 /nfs/dbraw/zinc/38/97/88/152389788.db2.gz HYZLGEYYGYTDTR-JQWIXIFHSA-N -1 0 347.371 2.494 20 5 EEBDRM C[C@@H](CN(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263161260 152391610 /nfs/dbraw/zinc/39/16/10/152391610.db2.gz CAIRDKRHOYUCEK-VIFPVBQESA-N -1 0 343.767 2.153 20 5 EEBDRM CCNC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000130416357 292373177 /nfs/dbraw/zinc/37/31/77/292373177.db2.gz WAEUKLOENXLRJO-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1 ZINC000131741471 292392738 /nfs/dbraw/zinc/39/27/38/292392738.db2.gz WKFIKJXJJHKOTC-UHFFFAOYSA-N -1 0 335.341 2.302 20 5 EEBDRM Cc1nc(C)c(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000237607846 160223137 /nfs/dbraw/zinc/22/31/37/160223137.db2.gz RZFRKPWYMAPSKQ-UHFFFAOYSA-N -1 0 335.341 2.296 20 5 EEBDRM Cn1c(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)ccc1[N+](=O)[O-] ZINC000337177638 160608992 /nfs/dbraw/zinc/60/89/92/160608992.db2.gz KEKRSITUULCXPP-UHFFFAOYSA-N -1 0 343.368 2.050 20 5 EEBDRM CCc1oncc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000337865643 160677615 /nfs/dbraw/zinc/67/76/15/160677615.db2.gz OBOIXJKQJVQWFL-UHFFFAOYSA-N -1 0 325.346 2.130 20 5 EEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(O)cc1 ZINC000357511442 163721392 /nfs/dbraw/zinc/72/13/92/163721392.db2.gz PUJFUNZJNFAVAT-UHFFFAOYSA-N -1 0 338.341 2.140 20 5 EEBDRM O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280160869 269333726 /nfs/dbraw/zinc/33/37/26/269333726.db2.gz USRXSVDEGXUOEO-VIFPVBQESA-N -1 0 332.316 2.170 20 5 EEBDRM COc1ccc(CNCc2cc(OC)c(O)cc2[N+](=O)[O-])c(OC)n1 ZINC000289521365 275123896 /nfs/dbraw/zinc/12/38/96/275123896.db2.gz ISQOLPAOIOKJNQ-UHFFFAOYSA-N -1 0 349.343 2.011 20 5 EEBDRM O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000290844416 275245574 /nfs/dbraw/zinc/24/55/74/275245574.db2.gz HNRCOBKDSNKBKP-MAUKXSAKSA-N -1 0 342.351 2.196 20 5 EEBDRM O=c1nc([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2Cl)[nH][n-]1 ZINC000295397604 293705832 /nfs/dbraw/zinc/70/58/32/293705832.db2.gz VUTNDRWZBQMIHM-LBPRGKRZSA-N -1 0 337.767 2.387 20 5 EEBDRM CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000297304082 294207074 /nfs/dbraw/zinc/20/70/74/294207074.db2.gz VRODFWHSGWJFAF-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N(C(C)C)C1CC1 ZINC000355471872 301012753 /nfs/dbraw/zinc/01/27/53/301012753.db2.gz LYAXCTXPBOPDNO-UHFFFAOYSA-N -1 0 342.373 2.163 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000422557350 314282083 /nfs/dbraw/zinc/28/20/83/314282083.db2.gz JZBZDWPLGZSYRE-MWLCHTKSSA-N -1 0 332.316 2.192 20 5 EEBDRM COC(=O)c1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1O ZINC000436516738 314971135 /nfs/dbraw/zinc/97/11/35/314971135.db2.gz VLBPQOOGGZNJHX-UHFFFAOYSA-N -1 0 346.295 2.353 20 5 EEBDRM COCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCCSC1 ZINC000436812411 315000523 /nfs/dbraw/zinc/00/05/23/315000523.db2.gz XEOUESGURNOJGW-GFCCVEGCSA-N -1 0 340.401 2.285 20 5 EEBDRM COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1O ZINC000436904336 315011321 /nfs/dbraw/zinc/01/13/21/315011321.db2.gz YQYXALTXGRJNIC-UHFFFAOYSA-N -1 0 332.268 2.045 20 5 EEBDRM O=C(NCCc1ccc2c(c1)OCCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436944740 315015403 /nfs/dbraw/zinc/01/54/03/315015403.db2.gz CETMFGQXCWXMNI-UHFFFAOYSA-N -1 0 344.323 2.044 20 5 EEBDRM CC(C)(C(N)=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436964917 315017221 /nfs/dbraw/zinc/01/72/21/315017221.db2.gz GYSWTRAMHDUMNG-UHFFFAOYSA-N -1 0 343.339 2.316 20 5 EEBDRM C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000496763629 316250702 /nfs/dbraw/zinc/25/07/02/316250702.db2.gz MQGYLBGZKGUSAI-VIFPVBQESA-N -1 0 340.332 2.257 20 5 EEBDRM CC[C@H](C)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000521869847 316935914 /nfs/dbraw/zinc/93/59/14/316935914.db2.gz UOQFQDJCQSURFJ-DTWKUNHWSA-N -1 0 330.362 2.006 20 5 EEBDRM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])o1 ZINC000525186696 317043438 /nfs/dbraw/zinc/04/34/38/317043438.db2.gz KVNVTRRTQVTYRH-ONGXEEELSA-N -1 0 337.357 2.185 20 5 EEBDRM CC(=O)N[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000537545294 318018844 /nfs/dbraw/zinc/01/88/44/318018844.db2.gz LMYUIDNNSOKPAW-LLVKDONJSA-N -1 0 329.740 2.053 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(Oc3ccccn3)CC2)n1 ZINC000564216921 319073076 /nfs/dbraw/zinc/07/30/76/319073076.db2.gz ZFUQNGSETKCFMW-UHFFFAOYSA-N -1 0 344.327 2.131 20 5 EEBDRM CN(CCN(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC000566290222 319269653 /nfs/dbraw/zinc/26/96/53/319269653.db2.gz CVODECINHYXJMM-UHFFFAOYSA-N -1 0 330.344 2.261 20 5 EEBDRM CC1(C)CCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000566794441 319321782 /nfs/dbraw/zinc/32/17/82/319321782.db2.gz DNOPADVZDRUQIS-LBPRGKRZSA-N -1 0 342.373 2.150 20 5 EEBDRM C[C@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567239751 319362342 /nfs/dbraw/zinc/36/23/42/319362342.db2.gz ZYOHBKDTEBBXQT-VHSXEESVSA-N -1 0 342.373 2.008 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)s1 ZINC000567869929 319428547 /nfs/dbraw/zinc/42/85/47/319428547.db2.gz MRRYOMYKAOUNGN-UHFFFAOYSA-N -1 0 342.402 2.372 20 5 EEBDRM Cc1cc(C)cc([C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C(=O)[O-])c1 ZINC000572457865 319846870 /nfs/dbraw/zinc/84/68/70/319846870.db2.gz VYBGNKSYCZRHOG-CQSZACIVSA-N -1 0 331.328 2.106 20 5 EEBDRM C[C@H]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC000573718076 319960126 /nfs/dbraw/zinc/96/01/26/319960126.db2.gz IKGMZSQSHSCPAG-MGCOHNPYSA-N -1 0 342.373 2.150 20 5 EEBDRM CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000576204558 320149971 /nfs/dbraw/zinc/14/99/71/320149971.db2.gz YDPJONJKXVVBDV-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000576555295 320181933 /nfs/dbraw/zinc/18/19/33/320181933.db2.gz YSHHPJAHXMAIQX-UHFFFAOYSA-N -1 0 340.386 2.266 20 5 EEBDRM O=C([O-])c1cc(N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000581075180 324181239 /nfs/dbraw/zinc/18/12/39/324181239.db2.gz WMVRONOWJYMQCA-PELKAZGASA-N -1 0 348.277 2.433 20 5 EEBDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c1 ZINC000336873920 465065728 /nfs/dbraw/zinc/06/57/28/465065728.db2.gz VLNULOYQRLNZAE-UHFFFAOYSA-N -1 0 336.325 2.304 20 5 EEBDRM Cn1cc(-c2ncccc2NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000590552047 468270178 /nfs/dbraw/zinc/27/01/78/468270178.db2.gz XFUFQIZVBJTPNW-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM COc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000128549440 462651913 /nfs/dbraw/zinc/65/19/13/462651913.db2.gz WSWTVFRYARFACS-UHFFFAOYSA-N -1 0 340.332 2.221 20 5 EEBDRM O=C([N-]c1nc(Cc2ccccc2)ns1)c1n[nH]cc1[N+](=O)[O-] ZINC000153509306 462659165 /nfs/dbraw/zinc/65/91/65/462659165.db2.gz PMDWBSULXUIYPR-UHFFFAOYSA-N -1 0 330.329 2.013 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000130672891 462770049 /nfs/dbraw/zinc/77/00/49/462770049.db2.gz JUUGNZPFJJNSJJ-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM O=C(NCCCn1cnc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159211056 463275004 /nfs/dbraw/zinc/27/50/04/463275004.db2.gz PZNBJZNYFAKCCH-UHFFFAOYSA-N -1 0 340.339 2.470 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c([N+](=O)[O-])c1 ZINC000126164805 463612720 /nfs/dbraw/zinc/61/27/20/463612720.db2.gz HUSUIEHFCNYMER-UHFFFAOYSA-N -1 0 340.361 2.251 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000263226661 464066583 /nfs/dbraw/zinc/06/65/83/464066583.db2.gz QBCUUULXQPXUKM-YUMQZZPRSA-N -1 0 344.165 2.299 20 5 EEBDRM C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)[O-] ZINC000263478432 464113265 /nfs/dbraw/zinc/11/32/65/464113265.db2.gz UBOQRMFUZSVMFN-AEJSXWLSSA-N -1 0 326.374 2.301 20 5 EEBDRM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)CC(=O)[O-] ZINC000271956057 464426988 /nfs/dbraw/zinc/42/69/88/464426988.db2.gz LEWOYFZWJYMNOS-LLVKDONJSA-N -1 0 335.360 2.036 20 5 EEBDRM O=C(NC1CCN(c2nccs2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000281550788 464499911 /nfs/dbraw/zinc/49/99/11/464499911.db2.gz KHWVDEVOELPZBC-UHFFFAOYSA-N -1 0 348.384 2.156 20 5 EEBDRM COc1cc(C(=O)Nc2nc3ccccn3n2)cc([N+](=O)[O-])c1C ZINC000191149234 464784647 /nfs/dbraw/zinc/78/46/47/464784647.db2.gz ANNINWKKVRSWPV-UHFFFAOYSA-N -1 0 327.300 2.207 20 5 EEBDRM CC(C)N1CCO[C@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)C1 ZINC000276630425 465008369 /nfs/dbraw/zinc/00/83/69/465008369.db2.gz MCMNUYNVBIEPCN-ZDUSSCGKSA-N -1 0 334.332 2.132 20 5 EEBDRM O=C(NCc1ccc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184635737 465012009 /nfs/dbraw/zinc/01/20/09/465012009.db2.gz UQXIFJJBLOBBHL-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM C[C@H](C(=O)[O-])N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000342577857 465331583 /nfs/dbraw/zinc/33/15/83/465331583.db2.gz VWLMMEBRTKBEHG-GFCCVEGCSA-N -1 0 338.363 2.086 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(c2ccncn2)CC1 ZINC000298483589 465409222 /nfs/dbraw/zinc/40/92/22/465409222.db2.gz UTDHGWRESMHSAJ-UHFFFAOYSA-N -1 0 328.328 2.110 20 5 EEBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000593921877 468435613 /nfs/dbraw/zinc/43/56/13/468435613.db2.gz KUIXFAHEOQRLSI-LBPRGKRZSA-N -1 0 336.344 2.220 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000337754067 465558739 /nfs/dbraw/zinc/55/87/39/465558739.db2.gz HEDQFVAPPPZCAJ-UHFFFAOYSA-N -1 0 344.352 2.647 20 5 EEBDRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330809494 465812175 /nfs/dbraw/zinc/81/21/75/465812175.db2.gz BCEYYQGFPURHKD-NWDGAFQWSA-N -1 0 349.387 2.376 20 5 EEBDRM CNc1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000555745302 468492651 /nfs/dbraw/zinc/49/26/51/468492651.db2.gz KADYLGLSAZABOT-MEDUHNTESA-N -1 0 335.360 2.400 20 5 EEBDRM O=C([O-])CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000324677364 466648705 /nfs/dbraw/zinc/64/87/05/466648705.db2.gz NMRCYSDWMSBHQP-UHFFFAOYSA-N -1 0 335.360 2.176 20 5 EEBDRM C[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000424239483 467011410 /nfs/dbraw/zinc/01/14/10/467011410.db2.gz CSODSMLWHNMKHY-ZUZCIYMTSA-N -1 0 347.371 2.494 20 5 EEBDRM CC[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C(=O)[O-] ZINC000431659228 467531929 /nfs/dbraw/zinc/53/19/29/467531929.db2.gz RHSYRJBPHIHEOW-ZDUSSCGKSA-N -1 0 342.326 2.413 20 5 EEBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](CC)C(=O)OCC ZINC000436524323 467543480 /nfs/dbraw/zinc/54/34/80/467543480.db2.gz GPYZQZGUSVGWGH-CYBMUJFWSA-N -1 0 338.360 2.494 20 5 EEBDRM O=C(Nc1cc(CSCCO)ccn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436616645 467547419 /nfs/dbraw/zinc/54/74/19/467547419.db2.gz KCYFFKOOTICKJX-UHFFFAOYSA-N -1 0 349.368 2.173 20 5 EEBDRM O=C(Nc1cccc(N2CCNC2=O)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436776061 467554107 /nfs/dbraw/zinc/55/41/07/467554107.db2.gz ZABBXHQVYSVISJ-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM COC(=O)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000531236572 468038426 /nfs/dbraw/zinc/03/84/26/468038426.db2.gz SHOULLVLSKVWRH-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM COCC[C@H](Cc1ccco1)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000516653629 468040388 /nfs/dbraw/zinc/04/03/88/468040388.db2.gz NLOCMSQRYAMJED-SNVBAGLBSA-N -1 0 335.316 2.341 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000531773331 468074732 /nfs/dbraw/zinc/07/47/32/468074732.db2.gz DIDZTPVIGKSKMU-SECBINFHSA-N -1 0 348.277 2.484 20 5 EEBDRM O=C(NCCc1ccc2c(c1)OCO2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000533190800 468178790 /nfs/dbraw/zinc/17/87/90/468178790.db2.gz AHKACLUDDZIHIZ-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM C[C@@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000594528476 468615807 /nfs/dbraw/zinc/61/58/07/468615807.db2.gz LPVUHXHEWRILMV-WCQYABFASA-N -1 0 335.360 2.205 20 5 EEBDRM CC(C)[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000594536943 468616482 /nfs/dbraw/zinc/61/64/82/468616482.db2.gz JYMHUKVDDVFHIH-AWEZNQCLSA-N -1 0 337.376 2.136 20 5 EEBDRM C[C@@](NC(=O)CCc1ccoc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874599 468673033 /nfs/dbraw/zinc/67/30/33/468673033.db2.gz JOOUNFHSQYCKBS-INIZCTEOSA-N -1 0 332.312 2.237 20 5 EEBDRM CN(C[C@@H]1OCCc2ccccc21)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000572649044 468965265 /nfs/dbraw/zinc/96/52/65/468965265.db2.gz YVBYANMQEZETTA-HNNXBMFYSA-N -1 0 343.339 2.438 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000610479070 468979682 /nfs/dbraw/zinc/97/96/82/468979682.db2.gz KIDCNLSFACKFTP-UHFFFAOYSA-N -1 0 340.361 2.251 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000610874959 469099937 /nfs/dbraw/zinc/09/99/37/469099937.db2.gz FJPIFXALYXWYDA-QMMMGPOBSA-N -1 0 342.311 2.373 20 5 EEBDRM Cc1nn(C)c2ncc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc12 ZINC000610891212 469104703 /nfs/dbraw/zinc/10/47/03/469104703.db2.gz IAOAHVSXIIXUQH-UHFFFAOYSA-N -1 0 327.300 2.143 20 5 EEBDRM O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1CCOCC(F)(F)F ZINC000601947728 469107117 /nfs/dbraw/zinc/10/71/17/469107117.db2.gz LBBCDAHTKJTYIS-UHFFFAOYSA-N -1 0 331.250 2.110 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2nnc(C)s2)cc1[N+](=O)[O-] ZINC000563135365 469180559 /nfs/dbraw/zinc/18/05/59/469180559.db2.gz QFCRJNXMGFQKBU-UHFFFAOYSA-N -1 0 328.375 2.118 20 5 EEBDRM C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000574036477 469249813 /nfs/dbraw/zinc/24/98/13/469249813.db2.gz RZMCJCQGUNLJLB-VHSXEESVSA-N -1 0 342.373 2.102 20 5 EEBDRM Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611558896 469279544 /nfs/dbraw/zinc/27/95/44/469279544.db2.gz YXRZOFIWKQJBEK-OAHLLOKOSA-N -1 0 330.344 2.320 20 5 EEBDRM CC(C)c1ncc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000442982770 490796333 /nfs/dbraw/zinc/79/63/33/490796333.db2.gz MITAKSURTGSIJH-UHFFFAOYSA-N -1 0 330.344 2.486 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000159931086 534532725 /nfs/dbraw/zinc/53/27/25/534532725.db2.gz PXIKVXDHTUXLDT-GFCCVEGCSA-N -1 0 326.736 2.256 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000262749056 535427402 /nfs/dbraw/zinc/42/74/02/535427402.db2.gz ADMOZLIVJDCXKS-APPDUMDISA-N -1 0 348.355 2.320 20 5 EEBDRM Cc1cc(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC000738216928 578004144 /nfs/dbraw/zinc/00/41/44/578004144.db2.gz UFWOIMUNEMVIGB-CQSZACIVSA-N -1 0 344.323 2.338 20 5 EEBDRM C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCCCC(=O)[O-])C1=O ZINC000737733942 576163163 /nfs/dbraw/zinc/16/31/63/576163163.db2.gz HXLNXVWKCHFIIL-INIZCTEOSA-N -1 0 349.343 2.007 20 5 EEBDRM O=C([O-])CSCCC(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000739853149 576288386 /nfs/dbraw/zinc/28/83/86/576288386.db2.gz NWJQNZFJCZQLQM-UHFFFAOYSA-N -1 0 333.749 2.499 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000733059577 577201276 /nfs/dbraw/zinc/20/12/76/577201276.db2.gz HLTHBYWBRXBNDM-UHFFFAOYSA-N -1 0 328.390 2.399 20 5 EEBDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)CC2CC2)cc1[N+](=O)[O-] ZINC000733704122 577254363 /nfs/dbraw/zinc/25/43/63/577254363.db2.gz XVTSSCRWHFINCR-UHFFFAOYSA-N -1 0 340.401 2.362 20 5 EEBDRM CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772352232 577266558 /nfs/dbraw/zinc/26/65/58/577266558.db2.gz XZKZFBYEQLQKQI-AWEZNQCLSA-N -1 0 332.360 2.342 20 5 EEBDRM O=C([N-]Oc1ccccc1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000773462962 577344853 /nfs/dbraw/zinc/34/48/53/577344853.db2.gz YNFOFKUDWQHUAA-HNNXBMFYSA-N -1 0 327.296 2.198 20 5 EEBDRM CS[C@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000773762654 577363389 /nfs/dbraw/zinc/36/33/89/577363389.db2.gz GHZBLGCLHLTPCL-SNVBAGLBSA-N -1 0 346.430 2.240 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]OC1CCOCC1 ZINC000773916978 577372899 /nfs/dbraw/zinc/37/28/99/577372899.db2.gz GHQCOFRTTDJHFI-SNVBAGLBSA-N -1 0 326.374 2.302 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000774297141 577394148 /nfs/dbraw/zinc/39/41/48/577394148.db2.gz WJSJONFUTYUZKL-VIFPVBQESA-N -1 0 344.414 2.074 20 5 EEBDRM CC(C)CCc1nnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000775115169 577430246 /nfs/dbraw/zinc/43/02/46/577430246.db2.gz GGCKPGBPOFAEOB-UHFFFAOYSA-N -1 0 346.390 2.429 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(C2CC2)nn1 ZINC000775146079 577431169 /nfs/dbraw/zinc/43/11/69/577431169.db2.gz HFQQNVVJCCTKNS-UHFFFAOYSA-N -1 0 338.320 2.202 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000776507594 577461165 /nfs/dbraw/zinc/46/11/65/577461165.db2.gz OXWNFOJQQFHCBZ-BXKDBHETSA-N -1 0 340.401 2.453 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H](O)c1cccc(F)c1 ZINC000777534557 577480796 /nfs/dbraw/zinc/48/07/96/577480796.db2.gz RJJADWJSQRYZRC-OTYXRUKQSA-N -1 0 334.303 2.291 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000767076279 577530338 /nfs/dbraw/zinc/53/03/38/577530338.db2.gz XSOGSDIILDSPHD-CQSZACIVSA-N -1 0 335.360 2.156 20 5 EEBDRM COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1[N+](=O)[O-] ZINC000768122647 577550669 /nfs/dbraw/zinc/55/06/69/577550669.db2.gz YDUCIHBJPIYEAX-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM COc1cc(C=O)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770855408 577604896 /nfs/dbraw/zinc/60/48/96/577604896.db2.gz CWHIJLGFDWSMBK-UHFFFAOYSA-N -1 0 346.295 2.139 20 5 EEBDRM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755300726 577823280 /nfs/dbraw/zinc/82/32/80/577823280.db2.gz HEQGZCMAXSTQOK-UHFFFAOYSA-N -1 0 347.283 2.017 20 5 EEBDRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000749047156 577970458 /nfs/dbraw/zinc/97/04/58/577970458.db2.gz MQTOZCGTRRFUIP-LLVKDONJSA-N -1 0 328.390 2.367 20 5 EEBDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000739217315 578044317 /nfs/dbraw/zinc/04/43/17/578044317.db2.gz YSKTYAAIIFBOEA-ZZXKWVIFSA-N -1 0 345.263 2.325 20 5 EEBDRM O=C([O-])CCCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000739670698 578063644 /nfs/dbraw/zinc/06/36/44/578063644.db2.gz CQGRFJJQJVEZOU-UHFFFAOYSA-N -1 0 345.149 2.342 20 5 EEBDRM CC(C)[C@@H](NC(=O)[O-])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000736366498 578199187 /nfs/dbraw/zinc/19/91/87/578199187.db2.gz XWUIKFLWOGXRAN-GFCCVEGCSA-N -1 0 343.767 2.499 20 5 EEBDRM CC1(C)CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736732291 578220758 /nfs/dbraw/zinc/22/07/58/578220758.db2.gz AHRDKRMXLHRVMD-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737323479 578250434 /nfs/dbraw/zinc/25/04/34/578250434.db2.gz SHOYTRDUSXDWAL-INIZCTEOSA-N -1 0 344.323 2.258 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000737375474 578253720 /nfs/dbraw/zinc/25/37/20/578253720.db2.gz JTQPQBFBMGDAOJ-UHFFFAOYSA-N -1 0 334.284 2.309 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccn1 ZINC000833126874 600916651 /nfs/dbraw/zinc/91/66/51/600916651.db2.gz RAGXBPZNZCZGAF-CQSZACIVSA-N -1 0 340.295 2.027 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)COc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000828729233 601347249 /nfs/dbraw/zinc/34/72/49/601347249.db2.gz PSFHSTYNHUOJFF-ISVAXAHUSA-N -1 0 344.751 2.243 20 5 EEBDRM CCCCC[C@@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000829339330 601404657 /nfs/dbraw/zinc/40/46/57/601404657.db2.gz HFHOCNUYMCAIDR-GFCCVEGCSA-N -1 0 344.389 2.215 20 5 EEBDRM COc1ccc(NC(=O)CNc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000832395045 601440623 /nfs/dbraw/zinc/44/06/23/601440623.db2.gz ZJQDSZFOKVKJGC-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000833234848 601515084 /nfs/dbraw/zinc/51/50/84/601515084.db2.gz PCNLJRFYPRDMEP-UHFFFAOYSA-N -1 0 347.302 2.246 20 5 EEBDRM CC(=O)NC1CCC(Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000825862755 602316037 /nfs/dbraw/zinc/31/60/37/602316037.db2.gz BSFSPBXRWFLFHO-UHFFFAOYSA-N -1 0 335.360 2.461 20 5 EEBDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000831976016 602347190 /nfs/dbraw/zinc/34/71/90/602347190.db2.gz KKAMLYGXFAAZGV-XVNBXDOJSA-N -1 0 344.279 2.315 20 5 EEBDRM CCc1ccc(C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000830232462 604445086 /nfs/dbraw/zinc/44/50/86/604445086.db2.gz XQCCDLIKHPZEFI-AWEZNQCLSA-N -1 0 338.360 2.107 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)Nc2cccc(OCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC000827097670 604839476 /nfs/dbraw/zinc/83/94/76/604839476.db2.gz XIUCMTAZDUGLMX-UHFFFAOYSA-N -1 0 348.315 2.157 20 5 EEBDRM C[C@H](NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000833522688 605048963 /nfs/dbraw/zinc/04/89/63/605048963.db2.gz PYQAPDFSDHHBJY-WDEREUQCSA-N -1 0 336.348 2.097 20 5 EEBDRM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000833669325 605094253 /nfs/dbraw/zinc/09/42/53/605094253.db2.gz FTCSXXIWSLDDLB-OAHLLOKOSA-N -1 0 344.323 2.419 20 5 EEBDRM CN(CCCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000828279476 605534123 /nfs/dbraw/zinc/53/41/23/605534123.db2.gz YEPCLBVYNCBDSJ-UHFFFAOYSA-N -1 0 335.360 2.476 20 5 EEBDRM CCCc1nc(C)c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000813761512 1199161718 /nfs/dbraw/zinc/16/17/18/1199161718.db2.gz QNMXHOQSJDFDMJ-UHFFFAOYSA-N -1 0 345.402 2.384 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)nc1C ZINC000800052115 1202202108 /nfs/dbraw/zinc/20/21/08/1202202108.db2.gz HIOBIYIESDGPHM-UHFFFAOYSA-N -1 0 342.352 2.368 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779667624 1210733422 /nfs/dbraw/zinc/73/34/22/1210733422.db2.gz ZNKDVVUMFXQWAT-AWEZNQCLSA-N -1 0 328.328 2.206 20 5 EEBDRM Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000018707272 1229139940 /nfs/dbraw/zinc/13/99/40/1229139940.db2.gz RNJKTOSPUCNBQR-UHFFFAOYSA-N -1 0 329.284 2.256 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000802869097 1238487028 /nfs/dbraw/zinc/48/70/28/1238487028.db2.gz PZHVUNIQAPHYOX-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM COC(=O)c1nsnc1[N-]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001211290763 1295800669 /nfs/dbraw/zinc/80/06/69/1295800669.db2.gz LCEHSHNWEJUHKQ-UHFFFAOYSA-N -1 0 339.289 2.193 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc(=O)[n-]c(C(F)(F)F)n1 ZINC001226347620 1301370344 /nfs/dbraw/zinc/37/03/44/1301370344.db2.gz VIJVQXAAXAFIDC-ZCFIWIBFSA-N -1 0 347.253 2.082 20 5 EEBDRM CCCSc1nc(OC2CC3(COC3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229792979 1302946946 /nfs/dbraw/zinc/94/69/46/1302946946.db2.gz VVBPDWKVJRWXQF-UHFFFAOYSA-N -1 0 327.362 2.150 20 5 EEBDRM COC(=O)C1CCC(Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001231221190 1303688166 /nfs/dbraw/zinc/68/81/66/1303688166.db2.gz LSYGSGOBXXLHQN-UHFFFAOYSA-N -1 0 340.288 2.319 20 5 EEBDRM Cc1ccc(COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000835481696 1314923027 /nfs/dbraw/zinc/92/30/27/1314923027.db2.gz YRJPVDKYPQSGOI-UHFFFAOYSA-N -1 0 348.277 2.404 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC2(CCC2)C1 ZINC000842693295 1315755245 /nfs/dbraw/zinc/75/52/45/1315755245.db2.gz PLYQAGOXNYYHKD-UHFFFAOYSA-N -1 0 342.348 2.119 20 5 EEBDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001163109472 1321038425 /nfs/dbraw/zinc/03/84/25/1321038425.db2.gz BDHPFXJVUDAGFA-UHFFFAOYSA-N -1 0 327.300 2.172 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CCC(NC(=O)C(F)(F)F)CC2)n1 ZINC001166894036 1321811306 /nfs/dbraw/zinc/81/13/06/1321811306.db2.gz ILDXVOWKOIKTOY-UHFFFAOYSA-N -1 0 346.309 2.254 20 5 EEBDRM Nc1cccc(S(=O)(=O)N(c2ccc([O-])c([N+](=O)[O-])c2)C2CC2)c1 ZINC001210394614 1325262732 /nfs/dbraw/zinc/26/27/32/1325262732.db2.gz CUBBQKGXHIPGDJ-UHFFFAOYSA-N -1 0 349.368 2.240 20 5 EEBDRM O=C1C=CC(=O)N1c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001210397477 1325265363 /nfs/dbraw/zinc/26/53/63/1325265363.db2.gz BVTIEPKUUYGJMD-UHFFFAOYSA-N -1 0 325.280 2.473 20 5 EEBDRM CCC(=O)c1ccc(N2CC(c3cc(C(=O)[O-])n[nH]3)C2)c([N+](=O)[O-])c1 ZINC001604865319 1351021755 /nfs/dbraw/zinc/02/17/55/1351021755.db2.gz XHARKAYZCJTEFD-UHFFFAOYSA-N -1 0 344.327 2.213 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001607708960 1351543673 /nfs/dbraw/zinc/54/36/73/1351543673.db2.gz CODHCCFMOFDXIC-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccccn1 ZINC001608316736 1351669799 /nfs/dbraw/zinc/66/97/99/1351669799.db2.gz LDCTUBPLNYBKGH-OAHLLOKOSA-N -1 0 347.302 2.004 20 5 EEBDRM O=C([O-])CC1(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC001608683416 1351741103 /nfs/dbraw/zinc/74/11/03/1351741103.db2.gz AAHRHRQULLKYIP-UHFFFAOYSA-N -1 0 342.298 2.319 20 5 EEBDRM O=C([O-])CCN(C[C@@H]1CCCO1)c1c(F)cc([N+](=O)[O-])cc1F ZINC001608721215 1351749362 /nfs/dbraw/zinc/74/93/62/1351749362.db2.gz CUCKIGKRFYRZHY-JTQLQIEISA-N -1 0 330.287 2.333 20 5 EEBDRM O=C([O-])CN(CCC(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001608745040 1351754905 /nfs/dbraw/zinc/75/49/05/1351754905.db2.gz MAXCUZRQDDVKAX-UHFFFAOYSA-N -1 0 334.250 2.003 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2cnc(-c3ccccc3)o2)c1 ZINC001608862950 1351780739 /nfs/dbraw/zinc/78/07/39/1351780739.db2.gz JMYSRGYZAMTRCZ-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@H](O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC001608978017 1351806620 /nfs/dbraw/zinc/80/66/20/1351806620.db2.gz RBKCNSQZXSGRBI-GFCCVEGCSA-N -1 0 337.719 2.487 20 5 EEBDRM O=C([O-])c1nn(C[C@H](O)c2cccc([N+](=O)[O-])c2)c2c1CCCC2 ZINC001609003960 1351812559 /nfs/dbraw/zinc/81/25/59/1351812559.db2.gz KNBDSXKRSGLXAC-AWEZNQCLSA-N -1 0 331.328 2.102 20 5 EEBDRM Cc1coc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C ZINC001323560021 1333489237 /nfs/dbraw/zinc/48/92/37/1333489237.db2.gz DBQNDHSLUOPIEP-UHFFFAOYSA-N -1 0 342.304 2.062 20 5 EEBDRM C[C@H](CO)N(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001326267116 1334056503 /nfs/dbraw/zinc/05/65/03/1334056503.db2.gz HKWKZHYOAOWWIG-GFCCVEGCSA-N -1 0 330.340 2.324 20 5 EEBDRM C[C@@](NC(=O)c1cc([N+](=O)[O-])ccc1N)(C(=O)[O-])c1ccc(F)cc1 ZINC001609770429 1352080506 /nfs/dbraw/zinc/08/05/06/1352080506.db2.gz XOYKMWZAVBXXBY-INIZCTEOSA-N -1 0 347.302 2.046 20 5 EEBDRM CCC[C@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001609958816 1352130275 /nfs/dbraw/zinc/13/02/75/1352130275.db2.gz DTPDTOZSTGJYSM-JTQLQIEISA-N -1 0 341.751 2.051 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)C(C)(C)C ZINC001343961881 1337359993 /nfs/dbraw/zinc/35/99/93/1337359993.db2.gz QYXQZLPLEXIVJM-VIFPVBQESA-N -1 0 346.430 2.320 20 5 EEBDRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC001346127564 1337480190 /nfs/dbraw/zinc/48/01/90/1337480190.db2.gz KAZDHIOKNKSVSW-ZDUSSCGKSA-N -1 0 344.389 2.377 20 5 EEBDRM COC1(c2ccccc2)CN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001610227769 1352190286 /nfs/dbraw/zinc/19/02/86/1352190286.db2.gz HFVNZDQXSGEYPB-UHFFFAOYSA-N -1 0 343.339 2.358 20 5 EEBDRM Cc1c(NC(=O)NCCOCC(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610423457 1352220274 /nfs/dbraw/zinc/22/02/74/1352220274.db2.gz IQRJLGWOBKXMQK-UHFFFAOYSA-N -1 0 347.274 2.005 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001610563612 1352245791 /nfs/dbraw/zinc/24/57/91/1352245791.db2.gz OVHYRGZZZXGIIZ-CQSZACIVSA-N -1 0 347.302 2.036 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])s1 ZINC001610693854 1352260998 /nfs/dbraw/zinc/26/09/98/1352260998.db2.gz CBWVCBLJJVQIPF-UHFFFAOYSA-N -1 0 349.368 2.396 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cnc3n2CCCC3)cc([N+](=O)[O-])c1 ZINC001610813515 1352279261 /nfs/dbraw/zinc/27/92/61/1352279261.db2.gz HWQUASXPNIHACN-UHFFFAOYSA-N -1 0 330.300 2.078 20 5 EEBDRM Cc1c(NC(=O)N2CCC[C@@H]3COC[C@@H]32)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600037754 1349959796 /nfs/dbraw/zinc/95/97/96/1349959796.db2.gz XHTMLJASNPGDBV-YGRLFVJLSA-N -1 0 349.343 2.244 20 5 EEBDRM Cc1c(NC(=O)NC[C@@H]2CCSC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043693 1349961041 /nfs/dbraw/zinc/96/10/41/1349961041.db2.gz WVDGWYPWTQGURD-VIFPVBQESA-N -1 0 339.373 2.476 20 5 EEBDRM Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccc1O ZINC001600087151 1349968617 /nfs/dbraw/zinc/96/86/17/1349968617.db2.gz CASSOVBGBRPSDR-QGZVFWFLSA-N -1 0 344.323 2.339 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600216476 1349995167 /nfs/dbraw/zinc/99/51/67/1349995167.db2.gz TXEMQJDZICSNOS-ZDUSSCGKSA-N -1 0 330.699 2.195 20 5 EEBDRM Cc1cc(N2CCN(C(=O)CC(C)C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240707 1349999720 /nfs/dbraw/zinc/99/97/20/1349999720.db2.gz XHPJNCIAGZOHFF-UHFFFAOYSA-N -1 0 349.387 2.296 20 5 EEBDRM Cc1ccc(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1[N+](=O)[O-] ZINC001600336225 1350023253 /nfs/dbraw/zinc/02/32/53/1350023253.db2.gz AYQYDZWESLOXKP-LLVKDONJSA-N -1 0 344.327 2.063 20 5 EEBDRM NC(=O)c1ccnc(Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001601171038 1350224908 /nfs/dbraw/zinc/22/49/08/1350224908.db2.gz JWHNXIJHVUKSPX-NWDGAFQWSA-N -1 0 342.311 2.020 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001601214748 1350233277 /nfs/dbraw/zinc/23/32/77/1350233277.db2.gz OQGCVGZHBPPQHN-UHFFFAOYSA-N -1 0 327.296 2.078 20 5 EEBDRM O=C([O-])C1(NC(=O)COc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC001601342643 1350262122 /nfs/dbraw/zinc/26/21/22/1350262122.db2.gz NDILIGIUIDOWAB-UHFFFAOYSA-N -1 0 340.307 2.016 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC001601390832 1350272147 /nfs/dbraw/zinc/27/21/47/1350272147.db2.gz DQOBFRKGYFNLLL-UHFFFAOYSA-N -1 0 341.279 2.248 20 5 EEBDRM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001601752416 1350356782 /nfs/dbraw/zinc/35/67/82/1350356782.db2.gz KBVLQTRTEUBWKQ-NEPJUHHUSA-N -1 0 348.277 2.024 20 5 EEBDRM O=C([O-])[C@H]1C[C@H](O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001601773832 1350361256 /nfs/dbraw/zinc/36/12/56/1350361256.db2.gz VNFHRFWQOJQABX-IINYFYTJSA-N -1 0 348.380 2.343 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC001601810698 1350369845 /nfs/dbraw/zinc/36/98/45/1350369845.db2.gz WCHDFPXEJHMVSD-DGCLKSJQSA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]([C@H]2CCCO2)C1 ZINC001601826952 1350374537 /nfs/dbraw/zinc/37/45/37/1350374537.db2.gz CCODKHCQCDIWKA-VHDGCEQUSA-N -1 0 348.355 2.079 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001601932318 1350400144 /nfs/dbraw/zinc/40/01/44/1350400144.db2.gz RWBRCIBFISBFOX-UHFFFAOYSA-N -1 0 343.133 2.094 20 5 EEBDRM O=C([O-])Cc1ccc(NCCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 ZINC001602137780 1350448322 /nfs/dbraw/zinc/44/83/22/1350448322.db2.gz OFJRULUVPOXUSF-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001602214312 1350467685 /nfs/dbraw/zinc/46/76/85/1350467685.db2.gz WLHLJBKNVPEZAY-KNVOCYPGSA-N -1 0 330.243 2.246 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001602221606 1350470009 /nfs/dbraw/zinc/47/00/09/1350470009.db2.gz MTWVRVGWUXZUHU-QFYYESIMSA-N -1 0 328.328 2.229 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(CCc2c(F)cccc2Cl)c1=O ZINC001602300697 1350488140 /nfs/dbraw/zinc/48/81/40/1350488140.db2.gz RODDNLQESNCYEL-UHFFFAOYSA-N -1 0 340.694 2.490 20 5 EEBDRM O=C([O-])c1cc2c(cc1NC(=O)c1ccccc1[N+](=O)[O-])OCO2 ZINC001602301783 1350488721 /nfs/dbraw/zinc/48/87/21/1350488721.db2.gz ZDYUPSYFJIQATI-UHFFFAOYSA-N -1 0 330.252 2.274 20 5 EEBDRM O=C([O-])c1ccc(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC001602357128 1350503038 /nfs/dbraw/zinc/50/30/38/1350503038.db2.gz LFISEYBXVKXIRU-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM O=C([O-])c1nn(Cc2c(F)cccc2Br)cc1[N+](=O)[O-] ZINC001602585952 1350551821 /nfs/dbraw/zinc/55/18/21/1350551821.db2.gz BYVHTRXQULPCJZ-UHFFFAOYSA-N -1 0 344.096 2.439 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC001602599563 1350554378 /nfs/dbraw/zinc/55/43/78/1350554378.db2.gz CPBOBKQDOMHOQD-JTQLQIEISA-N -1 0 331.227 2.216 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001602623415 1350559799 /nfs/dbraw/zinc/55/97/99/1350559799.db2.gz ZAXOZYDVTPAEQA-CLAHSXSESA-N -1 0 342.710 2.467 20 5 EEBDRM O=C([O-])C12CC(C1)CN2C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001602625552 1350560837 /nfs/dbraw/zinc/56/08/37/1350560837.db2.gz SCNMUFGIJUYKNA-UHFFFAOYSA-N -1 0 348.358 2.371 20 5 EEBDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC001603101676 1350640725 /nfs/dbraw/zinc/64/07/25/1350640725.db2.gz SPMDIOIOJWBAMV-UHFFFAOYSA-N -1 0 331.284 2.384 20 5 EEBDRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC001603155001 1350651198 /nfs/dbraw/zinc/65/11/98/1350651198.db2.gz NEIUZVVHUMXASQ-XHDPSFHLSA-N -1 0 343.339 2.426 20 5 EEBDRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC001603153800 1350651587 /nfs/dbraw/zinc/65/15/87/1350651587.db2.gz RHVZCJSBDQCJCG-OTYXRUKQSA-N -1 0 347.302 2.175 20 5 EEBDRM C[C@H](C(=O)NCCc1ncc(C(=O)[O-])s1)c1cccc([N+](=O)[O-])c1 ZINC001603166321 1350654153 /nfs/dbraw/zinc/65/41/53/1350654153.db2.gz MPQGPLFHIODJNF-VIFPVBQESA-N -1 0 349.368 2.212 20 5 EEBDRM CC(C)(C)c1nc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)no1 ZINC001603551388 1350718536 /nfs/dbraw/zinc/71/85/36/1350718536.db2.gz LDSMGDIZMLDMOP-INIZCTEOSA-N -1 0 348.359 2.365 20 5 EEBDRM CC(C)CN(CC(=O)[O-])CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001603804983 1350772073 /nfs/dbraw/zinc/77/20/73/1350772073.db2.gz ZMGOWQCHFYKZCY-UHFFFAOYSA-N -1 0 343.767 2.229 20 5 EEBDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001603806846 1350772839 /nfs/dbraw/zinc/77/28/39/1350772839.db2.gz PVUDGNGWTYEJAQ-UHFFFAOYSA-N -1 0 337.376 2.386 20 5 EEBDRM CCC[C@@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCO1 ZINC001605229736 1351109821 /nfs/dbraw/zinc/10/98/21/1351109821.db2.gz MBRSWUXGSDJOAO-CYBMUJFWSA-N -1 0 338.360 2.059 20 5 EEBDRM CNc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC001606310165 1351291266 /nfs/dbraw/zinc/29/12/66/1351291266.db2.gz JXGVFQOUTDYNTJ-LBPRGKRZSA-N -1 0 335.341 2.254 20 5 EEBDRM COc1ccc2c(c1)on(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c2=O ZINC001607293501 1351466568 /nfs/dbraw/zinc/46/65/68/1351466568.db2.gz YHXNRZSBTGXPMJ-UHFFFAOYSA-N -1 0 344.279 2.258 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@]1(C)C(=O)[O-] ZINC001607474366 1351499925 /nfs/dbraw/zinc/49/99/25/1351499925.db2.gz DKLLWPYXRUQKPL-BTDLBPIBSA-N -1 0 343.339 2.326 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001607654896 1351533937 /nfs/dbraw/zinc/53/39/37/1351533937.db2.gz IKUQKSAJGIPRKA-MNOVXSKESA-N -1 0 328.708 2.127 20 5 EEBDRM Cc1cc(NC(=O)CCSCC(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC001607677418 1351537652 /nfs/dbraw/zinc/53/76/52/1351537652.db2.gz STTMNDMOTTZQCK-UHFFFAOYSA-N -1 0 349.368 2.020 20 5 EEBDRM Cc1cccc(C(=O)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001607838852 1351568771 /nfs/dbraw/zinc/56/87/71/1351568771.db2.gz WISRDLSNXBBRIG-UHFFFAOYSA-N -1 0 328.280 2.423 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cccc(C(=O)[O-])c1 ZINC001607984920 1351597952 /nfs/dbraw/zinc/59/79/52/1351597952.db2.gz OFTYTQANRQIGLT-UHFFFAOYSA-N -1 0 344.279 2.036 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC001608042308 1351612291 /nfs/dbraw/zinc/61/22/91/1351612291.db2.gz RBGGYGMOBMGLTE-UHFFFAOYSA-N -1 0 345.260 2.101 20 5 EEBDRM Nc1c(F)c(N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC001608272718 1351660635 /nfs/dbraw/zinc/66/06/35/1351660635.db2.gz UMHWCQRMUUXXDP-LLVKDONJSA-N -1 0 337.229 2.160 20 5 EEBDRM CCCc1ccccc1S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835834432 1372659552 /nfs/dbraw/zinc/65/95/52/1372659552.db2.gz UADVTDKYKYAQFO-UHFFFAOYSA-N -1 0 342.417 2.280 20 5 EEBDRM CN1Cc2ccccc2[C@@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606260182 1404778140 /nfs/dbraw/zinc/77/81/40/1404778140.db2.gz XSTQXJAYDBKERG-AWEZNQCLSA-N -1 0 328.328 2.287 20 5 EEBDRM CNc1nccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001606313957 1404788829 /nfs/dbraw/zinc/78/88/29/1404788829.db2.gz DZVSYOCWYINNQH-SECBINFHSA-N -1 0 344.327 2.472 20 5 EEBDRM C[C@H](CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000237592785 773921834 /nfs/dbraw/zinc/92/18/34/773921834.db2.gz IADAIJFNZZSYAR-GFCCVEGCSA-N -1 0 349.387 2.499 20 5 EEBDRM O=C(Nc1ccc(-n2nccn2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000178512068 775035388 /nfs/dbraw/zinc/03/53/88/775035388.db2.gz FDVQKDVJNONGRS-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@H]2COc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000844207061 788925385 /nfs/dbraw/zinc/92/53/85/788925385.db2.gz VBSIJDXGKJFPKH-SNVBAGLBSA-N -1 0 329.312 2.351 20 5 EEBDRM O=C([O-])c1ccc(N2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000844214253 788933620 /nfs/dbraw/zinc/93/36/20/788933620.db2.gz WJVKORZWGYMZKC-UHFFFAOYSA-N -1 0 342.355 2.405 20 5 EEBDRM CC(C)CCC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151445193 788955328 /nfs/dbraw/zinc/95/53/28/788955328.db2.gz YUCCFZYGURYSNU-UHFFFAOYSA-N -1 0 328.390 2.020 20 5 EEBDRM CCOCCO[N-]C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000187159648 789517385 /nfs/dbraw/zinc/51/73/85/789517385.db2.gz PXPWENWVTGCNGX-UHFFFAOYSA-N -1 0 340.379 2.239 20 5 EEBDRM CCC(=CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CC ZINC000151525398 792710892 /nfs/dbraw/zinc/71/08/92/792710892.db2.gz AHGMGOKVVZMXRZ-UHFFFAOYSA-N -1 0 326.374 2.287 20 5 EEBDRM O=C([O-])c1cc(Nc2cccc3c(=O)[nH][nH]c(=O)c23)cc([N+](=O)[O-])c1 ZINC001176680339 798526074 /nfs/dbraw/zinc/52/60/74/798526074.db2.gz ZIIVCSMTMYMNMR-UHFFFAOYSA-N -1 0 342.267 2.391 20 5 EEBDRM O=C1OCc2c1cccc2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000808127667 812447299 /nfs/dbraw/zinc/44/72/99/812447299.db2.gz ORGRODYAXHDECC-UHFFFAOYSA-N -1 0 340.338 2.128 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1COC2=O ZINC000808128438 812448135 /nfs/dbraw/zinc/44/81/35/812448135.db2.gz VFXUTYMCXWTYPG-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM Nc1c(Cl)cc(C(=O)NCCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC001601210898 970955244 /nfs/dbraw/zinc/95/52/44/970955244.db2.gz KYXQXUGHJJNKGG-UHFFFAOYSA-N -1 0 329.740 2.205 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001602936478 971903036 /nfs/dbraw/zinc/90/30/36/971903036.db2.gz UPKVTDADSCCUOA-UHFFFAOYSA-N -1 0 330.287 2.175 20 5 EEBDRM C[C@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC001589365960 954193904 /nfs/dbraw/zinc/19/39/04/954193904.db2.gz CTCNVMVOCLDJEH-CABZTGNLSA-N -1 0 342.298 2.256 20 5 EEBDRM C[C@H](CNC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001589049498 955645748 /nfs/dbraw/zinc/64/57/48/955645748.db2.gz CIAYGMOQGFMTSA-NEPJUHHUSA-N -1 0 335.360 2.205 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848454776 955745798 /nfs/dbraw/zinc/74/57/98/955745798.db2.gz VYNCLRXHWMPYRA-DVVUODLYSA-N -1 0 335.360 2.042 20 5 EEBDRM Nc1c(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC001594660267 956527749 /nfs/dbraw/zinc/52/77/49/956527749.db2.gz UYXYJCUJMSZPLQ-STQMWFEESA-N -1 0 341.323 2.220 20 5 EEBDRM Nc1c(Cl)cc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001594662853 956546457 /nfs/dbraw/zinc/54/64/57/956546457.db2.gz GNOBTKWOIXZIDS-UHFFFAOYSA-N -1 0 349.730 2.459 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001594716401 956933494 /nfs/dbraw/zinc/93/34/94/956933494.db2.gz SMKVVZBBUYYWDD-CYBMUJFWSA-N -1 0 336.250 2.429 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC001574802540 957842284 /nfs/dbraw/zinc/84/22/84/957842284.db2.gz JTMBSGZXEDLLEV-UHFFFAOYSA-N -1 0 345.263 2.379 20 5 EEBDRM CC(C)[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(=O)[O-] ZINC001573490631 959022329 /nfs/dbraw/zinc/02/23/29/959022329.db2.gz YWAGMVYDEKNTML-AWEZNQCLSA-N -1 0 334.372 2.490 20 5 EEBDRM C[C@@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001594200662 959248527 /nfs/dbraw/zinc/24/85/27/959248527.db2.gz GZPYCCCMHPFPJB-GRYCIOLGSA-N -1 0 336.344 2.042 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001573559182 959269190 /nfs/dbraw/zinc/26/91/90/959269190.db2.gz GGMOUJARPLSHEI-SECBINFHSA-N -1 0 340.380 2.451 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1c1c(Br)cncc1[N+](=O)[O-] ZINC000235643808 960473317 /nfs/dbraw/zinc/47/33/17/960473317.db2.gz FPSXNINYNUMPMA-NKWVEPMBSA-N -1 0 330.138 2.052 20 5 EEBDRM CCc1cc(NC(=O)C2(C(=O)[O-])CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001573952086 961647140 /nfs/dbraw/zinc/64/71/40/961647140.db2.gz DCKOOKNAJMMRDW-UHFFFAOYSA-N -1 0 343.339 2.321 20 5 EEBDRM CC(C)[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000848451980 969260974 /nfs/dbraw/zinc/26/09/74/969260974.db2.gz IVOJRSPEPMYKPX-VIFPVBQESA-N -1 0 346.742 2.403 20 5 EEBDRM C[C@H](C(=O)[O-])C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001609701274 970472324 /nfs/dbraw/zinc/47/23/24/970472324.db2.gz XKKDLVBKNKXTOV-SSDLBLMSSA-N -1 0 338.213 2.174 20 5 EEBDRM CCOc1ccc(NC(=O)CS[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610372867 970733690 /nfs/dbraw/zinc/73/36/90/970733690.db2.gz UFVDTAJYYJKDBQ-QMMMGPOBSA-N -1 0 328.346 2.138 20 5 EEBDRM C[C@H](C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001603355178 972798571 /nfs/dbraw/zinc/79/85/71/972798571.db2.gz PDNBDHCRMRBESS-OUAUKWLOSA-N -1 0 338.335 2.407 20 5 EEBDRM Cc1cccc([C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001605327686 973170325 /nfs/dbraw/zinc/17/03/25/973170325.db2.gz FUWJENRXLGVXAU-MRXNPFEDSA-N -1 0 343.339 2.257 20 5 EEBDRM CC[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001603587715 973783569 /nfs/dbraw/zinc/78/35/69/973783569.db2.gz PITDXBPSLYWYKQ-VIFPVBQESA-N -1 0 332.106 2.377 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001605654832 974039893 /nfs/dbraw/zinc/03/98/93/974039893.db2.gz SLLGQPUVXOTSBU-LBPRGKRZSA-N -1 0 341.323 2.001 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC001592305200 977670281 /nfs/dbraw/zinc/67/02/81/977670281.db2.gz YNLQPMHBWHPPNJ-MRXNPFEDSA-N -1 0 347.302 2.249 20 5 EEBDRM C[C@H](CC1CCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001592465972 978210561 /nfs/dbraw/zinc/21/05/61/978210561.db2.gz QMSODQKBJJGZAF-SECBINFHSA-N -1 0 342.373 2.150 20 5 EEBDRM C[C@](NC(=O)[C@H]1CCCCS1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593006622 980221508 /nfs/dbraw/zinc/22/15/08/980221508.db2.gz AEYYVGZIEJOGSC-IUODEOHRSA-N -1 0 338.385 2.297 20 5 EEBDRM O=C([O-])[C@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901490611 980313415 /nfs/dbraw/zinc/31/34/15/980313415.db2.gz OQVKZJMXWZPTSD-LURJTMIESA-N -1 0 335.179 2.325 20 5 EEBDRM CCCCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)[O-] ZINC001595676107 982146061 /nfs/dbraw/zinc/14/60/61/982146061.db2.gz ICZDLHRDYJNMAU-NSHDSACASA-N -1 0 327.312 2.079 20 5 EEBDRM CCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001595832705 982728978 /nfs/dbraw/zinc/72/89/78/982728978.db2.gz KHUUGWMMAZDYDK-LLVKDONJSA-N -1 0 344.389 2.085 20 5 EEBDRM CCOC(=O)c1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001596719907 984959916 /nfs/dbraw/zinc/95/99/16/984959916.db2.gz VDJZHYCYFGPZTR-UHFFFAOYSA-N -1 0 345.311 2.477 20 5 EEBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC(=O)[O-] ZINC001599972128 986025507 /nfs/dbraw/zinc/02/55/07/986025507.db2.gz XQZMNGJLZMZPBZ-LURJTMIESA-N -1 0 345.149 2.259 20 5 EEBDRM C[C@@H]1CSCCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594613099 986616699 /nfs/dbraw/zinc/61/66/99/986616699.db2.gz DIRSAAGSGRAPOR-QMMMGPOBSA-N -1 0 341.345 2.391 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001597142826 986893017 /nfs/dbraw/zinc/89/30/17/986893017.db2.gz MPWTYOXWTBNULO-GHMZBOCLSA-N -1 0 337.332 2.368 20 5 EEBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC001589461750 986912005 /nfs/dbraw/zinc/91/20/05/986912005.db2.gz GWGYQXFRDBSJQX-BONVTDFDSA-N -1 0 343.339 2.369 20 5 EEBDRM CC(C)(C)C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)[O-] ZINC001589761907 988093545 /nfs/dbraw/zinc/09/35/45/988093545.db2.gz QWYCDBQCEJISHF-LLVKDONJSA-N -1 0 328.296 2.362 20 5 EEBDRM C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C(=O)[O-] ZINC001599860381 989158271 /nfs/dbraw/zinc/15/82/71/989158271.db2.gz FIJWVMDINNZUTD-VXNVDRBHSA-N -1 0 327.724 2.433 20 5 EEBDRM CC(C)(CCC(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[N+](=O)[O-] ZINC001590664652 990362681 /nfs/dbraw/zinc/36/26/81/990362681.db2.gz FTDWKRCRQGOKMI-UHFFFAOYSA-N -1 0 340.288 2.172 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001598333562 991374264 /nfs/dbraw/zinc/37/42/64/991374264.db2.gz IKBKUSMDZRVYEA-UHFFFAOYSA-N -1 0 336.329 2.068 20 5 EEBDRM COc1coc(CNc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1=O ZINC001599727803 991657773 /nfs/dbraw/zinc/65/77/73/991657773.db2.gz UVZMZHTWMQLNEZ-UHFFFAOYSA-N -1 0 334.284 2.175 20 5 EEBDRM C[S@](=O)c1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001599781357 992368605 /nfs/dbraw/zinc/36/86/05/992368605.db2.gz XEQUQYUQQLQOSU-QHCPKHFHSA-N -1 0 335.341 2.038 20 5 EEBDRM CN(CCc1nc2ccccc2[nH]1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001598504188 992478707 /nfs/dbraw/zinc/47/87/07/992478707.db2.gz VPWLVDGYFFARKK-UHFFFAOYSA-N -1 0 341.327 2.243 20 5 EEBDRM CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001598504554 992483826 /nfs/dbraw/zinc/48/38/26/992483826.db2.gz SVMCYVWZGQIRRI-RHSMWYFYSA-N -1 0 348.355 2.324 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N(C)[C@@H](C)C2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593168901 994017416 /nfs/dbraw/zinc/01/74/16/994017416.db2.gz UQSUMDPBIHATSO-ZJUUUORDSA-N -1 0 335.360 2.032 20 5 EEBDRM CN1Cc2ccccc2[C@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598630339 994164437 /nfs/dbraw/zinc/16/44/37/994164437.db2.gz FESUJXPVIOSDTK-CQSZACIVSA-N -1 0 328.328 2.287 20 5 EEBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])co1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001593556701 995646156 /nfs/dbraw/zinc/64/61/56/995646156.db2.gz VBRSNIVUSINBMU-MRVPVSSYSA-N -1 0 348.267 2.070 20 5 EEBDRM COC(=O)N1CC(C)(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001598875513 996760350 /nfs/dbraw/zinc/76/03/50/996760350.db2.gz GWWUNRCKHGDEID-UHFFFAOYSA-N -1 0 343.723 2.199 20 5 EEBDRM COCc1ccnc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001599296822 997158608 /nfs/dbraw/zinc/15/86/08/997158608.db2.gz VXKSZNLVKCEFMD-UHFFFAOYSA-N -1 0 347.327 2.212 20 5 EEBDRM COCc1cncc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001599298940 997198158 /nfs/dbraw/zinc/19/81/58/997198158.db2.gz ZWAPDZJEIJKBLH-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM COc1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001599351024 998093780 /nfs/dbraw/zinc/09/37/80/998093780.db2.gz MBLZPJWMBLYBNH-VIFPVBQESA-N -1 0 340.307 2.212 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC001599462317 998294291 /nfs/dbraw/zinc/29/42/91/998294291.db2.gz MZFKWLKUCBUPQE-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001599462546 998299575 /nfs/dbraw/zinc/29/95/75/998299575.db2.gz YZOPUMVPRBXJHY-BLLLJJGKSA-N -1 0 336.344 2.367 20 5 EEBDRM COC(=O)c1cccc(OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001598998490 998802274 /nfs/dbraw/zinc/80/22/74/998802274.db2.gz FPWLMPHAASWPCK-UHFFFAOYSA-N -1 0 345.263 2.299 20 5 EEBDRM C[C@H]1C[C@H](CO)CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001594243131 998924085 /nfs/dbraw/zinc/92/40/85/998924085.db2.gz LVXVMIRBYOVRIG-IUCAKERBSA-N -1 0 328.752 2.401 20 5 EEBDRM CC(C)n1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000066248521 215026816 /nfs/dbraw/zinc/02/68/16/215026816.db2.gz BPNDYDISEHQYLS-UHFFFAOYSA-N -1 0 328.325 2.312 20 5 EEBDRM CCC[C@](C)(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000236812010 242365666 /nfs/dbraw/zinc/36/56/66/242365666.db2.gz FNKVMCVRKQEPHM-INIZCTEOSA-N -1 0 333.344 2.378 20 5 EEBDRM Cc1ccn(C2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)n1 ZINC000447617189 242295137 /nfs/dbraw/zinc/29/51/37/242295137.db2.gz BGJKRQAJRSZZAJ-UHFFFAOYSA-N -1 0 330.344 2.283 20 5 EEBDRM Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cnn1[C@H]1CCOC1 ZINC000456271956 244203057 /nfs/dbraw/zinc/20/30/57/244203057.db2.gz TXGYZKUJOQAIGR-JTQLQIEISA-N -1 0 332.316 2.019 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000456339348 244220993 /nfs/dbraw/zinc/22/09/93/244220993.db2.gz XNELUOCEORROCS-CZUORRHYSA-N -1 0 343.339 2.346 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000262661789 245108671 /nfs/dbraw/zinc/10/86/71/245108671.db2.gz LYCPQFGXPXFYOP-ZDUSSCGKSA-N -1 0 347.327 2.078 20 5 EEBDRM C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[C@H]1C(=O)[O-] ZINC000262855734 245214994 /nfs/dbraw/zinc/21/49/94/245214994.db2.gz DZGRUUWAVAHSAS-SMDDNHRTSA-N -1 0 345.355 2.119 20 5 EEBDRM CCC[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000263211374 245360548 /nfs/dbraw/zinc/36/05/48/245360548.db2.gz OYKLLEJIRVNDTO-JTQLQIEISA-N -1 0 333.344 2.236 20 5 EEBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](CCO)c1ccccc1 ZINC000158262711 255792358 /nfs/dbraw/zinc/79/23/58/255792358.db2.gz DSYQNACBHHSQCU-AWEZNQCLSA-N -1 0 330.340 2.496 20 5 EEBDRM CC(C)c1[n-]n(C)c(=O)c1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000271172194 256215842 /nfs/dbraw/zinc/21/58/42/256215842.db2.gz UMOIBVKPOOXNRF-LLVKDONJSA-N -1 0 338.751 2.287 20 5 EEBDRM CN(CC(=O)[O-])C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000237170792 140890997 /nfs/dbraw/zinc/89/09/97/140890997.db2.gz YJFJUIXBQUUPFL-UHFFFAOYSA-N -1 0 329.312 2.495 20 5 EEBDRM CCO[C@@H]1C[C@@](NC(=O)c2ccc([N+](=O)[O-])s2)(C(=O)[O-])C1(C)C ZINC000262839174 152325312 /nfs/dbraw/zinc/32/53/12/152325312.db2.gz TZOQXADFBIAZOT-YMTOWFKASA-N -1 0 342.373 2.045 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262089411 160438447 /nfs/dbraw/zinc/43/84/47/160438447.db2.gz GQONONNATKSGNO-JTQLQIEISA-N -1 0 342.735 2.093 20 5 EEBDRM CC(C)[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C(=O)[O-] ZINC000263507052 160468566 /nfs/dbraw/zinc/46/85/66/160468566.db2.gz MJNRGAVNIXYBIL-AWEZNQCLSA-N -1 0 335.360 2.352 20 5 EEBDRM CCc1cc(N2CC(C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263568421 160472670 /nfs/dbraw/zinc/47/26/70/160472670.db2.gz YMTMTFRBCRGIHU-UHFFFAOYSA-N -1 0 328.328 2.135 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237476911 160221982 /nfs/dbraw/zinc/22/19/82/160221982.db2.gz UTHJOCBJMHVKOJ-QMMMGPOBSA-N -1 0 335.341 2.311 20 5 EEBDRM O=C(CCCNC(=O)[C@H]1CC=CCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000343629466 161152669 /nfs/dbraw/zinc/15/26/69/161152669.db2.gz ITDFQWZBFQPXPR-LBPRGKRZSA-N -1 0 347.371 2.492 20 5 EEBDRM COCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCCSC1 ZINC000344791150 161246239 /nfs/dbraw/zinc/24/62/39/161246239.db2.gz JJUWWTLPPFECCO-GFCCVEGCSA-N -1 0 340.401 2.285 20 5 EEBDRM Cc1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc2n[nH]cc21 ZINC000346448693 161373186 /nfs/dbraw/zinc/37/31/86/161373186.db2.gz CSZYCZRBANRCJQ-UHFFFAOYSA-N -1 0 348.340 2.286 20 5 EEBDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)oc1C ZINC000360030211 164219980 /nfs/dbraw/zinc/21/99/80/164219980.db2.gz FCIYQUTZIUIPQP-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM CCc1ncc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)s1 ZINC000361606872 164472639 /nfs/dbraw/zinc/47/26/39/164472639.db2.gz LUJRBFYYRSOHDM-UHFFFAOYSA-N -1 0 328.375 2.118 20 5 EEBDRM CC(=O)Nc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000154024826 292515643 /nfs/dbraw/zinc/51/56/43/292515643.db2.gz VQYXFXMZJUMUTA-UHFFFAOYSA-N -1 0 329.312 2.440 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)o2)cc1[N+](=O)[O-] ZINC000272152459 268916622 /nfs/dbraw/zinc/91/66/22/268916622.db2.gz MIPSNZCOCFJWIY-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000279845356 269310648 /nfs/dbraw/zinc/31/06/48/269310648.db2.gz FRDNBYXRLQVPJB-SECBINFHSA-N -1 0 332.316 2.170 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000292643804 275459048 /nfs/dbraw/zinc/45/90/48/275459048.db2.gz ZTXGCTWMBJTTFR-HUUCEWRRSA-N -1 0 332.356 2.474 20 5 EEBDRM CC(C)(C)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491848602 278330515 /nfs/dbraw/zinc/33/05/15/278330515.db2.gz RSLKBMWVOJPVDX-ALCCZGGFSA-N -1 0 344.364 2.239 20 5 EEBDRM CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032090611 289033827 /nfs/dbraw/zinc/03/38/27/289033827.db2.gz JWRSMFNBVZWHFH-UHFFFAOYSA-N -1 0 349.368 2.097 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000294463326 293459815 /nfs/dbraw/zinc/45/98/15/293459815.db2.gz BLVMNKOYVCIMBT-LUHKTGFWSA-N -1 0 330.340 2.320 20 5 EEBDRM COc1c(F)cc(S(=O)(=O)NCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000297149861 294164993 /nfs/dbraw/zinc/16/49/93/294164993.db2.gz RHKREBKUZZLFBO-UHFFFAOYSA-N -1 0 342.295 2.066 20 5 EEBDRM NC(=O)c1cccc2c1CCCN2Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339033255 303348204 /nfs/dbraw/zinc/34/82/04/303348204.db2.gz UQRURPPGSPZMKW-UHFFFAOYSA-N -1 0 327.340 2.352 20 5 EEBDRM COCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CCCSC1 ZINC000436808440 315000759 /nfs/dbraw/zinc/00/07/59/315000759.db2.gz LBBPQAVRROJNTI-NSHDSACASA-N -1 0 340.401 2.285 20 5 EEBDRM C[C@H]1Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2NC1=O ZINC000436867221 315007807 /nfs/dbraw/zinc/00/78/07/315007807.db2.gz BDSLUSGXXNNHTM-MRVPVSSYSA-N -1 0 343.295 2.272 20 5 EEBDRM NC(=O)CN(CCC1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966109 315017103 /nfs/dbraw/zinc/01/71/03/315017103.db2.gz MBAZKYFIUKPJDP-UHFFFAOYSA-N -1 0 349.387 2.198 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H](CC)CN1C(C)=O ZINC000436981468 315019541 /nfs/dbraw/zinc/01/95/41/315019541.db2.gz QMKUJBKDEFWITB-CHWSQXEVSA-N -1 0 349.387 2.162 20 5 EEBDRM CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000520589881 316870105 /nfs/dbraw/zinc/87/01/05/316870105.db2.gz KTDAZBJSIINERY-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM COc1cccc([C@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525699914 317069002 /nfs/dbraw/zinc/06/90/02/317069002.db2.gz GGDUFMOFGGPENQ-JTQLQIEISA-N -1 0 337.357 2.038 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000540785560 318077992 /nfs/dbraw/zinc/07/79/92/318077992.db2.gz LPRHKVYEJLEAEE-UHFFFAOYSA-N -1 0 330.296 2.102 20 5 EEBDRM O=C(CCOC[C@@H]1CCCO1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000540844436 318078852 /nfs/dbraw/zinc/07/88/52/318078852.db2.gz XZNDHFSFEKWTFP-JTQLQIEISA-N -1 0 344.751 2.478 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@]3(CCCOC3)C2)n1 ZINC000563887932 319052758 /nfs/dbraw/zinc/05/27/58/319052758.db2.gz DQCDZVODVXCDSV-MRXNPFEDSA-N -1 0 335.360 2.393 20 5 EEBDRM O=C([O-])c1csc(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)n1 ZINC000565040200 319142333 /nfs/dbraw/zinc/14/23/33/319142333.db2.gz GGHCRXXTGKPESF-UHFFFAOYSA-N -1 0 334.357 2.372 20 5 EEBDRM Cc1cc(N2CC[C@@H](Cc3cnn(C)c3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565604361 319197926 /nfs/dbraw/zinc/19/79/26/319197926.db2.gz UQLAULJZMWDAMR-LBPRGKRZSA-N -1 0 344.371 2.404 20 5 EEBDRM Cc1nnc(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000566281397 319268342 /nfs/dbraw/zinc/26/83/42/319268342.db2.gz UFMZLGMJPGMNOB-UHFFFAOYSA-N -1 0 342.764 2.086 20 5 EEBDRM Cn1cc(N2CCC[C@H](Nc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)cn1 ZINC000567979229 319441036 /nfs/dbraw/zinc/44/10/36/319441036.db2.gz DAPWRJXLSIUNSX-LBPRGKRZSA-N -1 0 345.359 2.107 20 5 EEBDRM COCC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000570046769 319631470 /nfs/dbraw/zinc/63/14/70/319631470.db2.gz MHBHOVCPNGKDJR-UHFFFAOYSA-N -1 0 328.752 2.452 20 5 EEBDRM C[C@]1(c2ccccc2)CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000574521847 320032975 /nfs/dbraw/zinc/03/29/75/320032975.db2.gz KVGHIEBXMFFCKY-QGZVFWFLSA-N -1 0 343.339 2.440 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(C)c3ccccc3C2)n1 ZINC000574693875 320048512 /nfs/dbraw/zinc/04/85/12/320048512.db2.gz FKNOXOCAYMKEOT-UHFFFAOYSA-N -1 0 342.355 2.453 20 5 EEBDRM C[C@H]1CC[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000577219233 320242971 /nfs/dbraw/zinc/24/29/71/320242971.db2.gz XQIJHHBKSPHGDJ-UWVGGRQHSA-N -1 0 342.373 2.102 20 5 EEBDRM C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000577283475 320247185 /nfs/dbraw/zinc/24/71/85/320247185.db2.gz YWCLPEAMAUHQLR-GXFFZTMASA-N -1 0 331.328 2.092 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000578010353 320288780 /nfs/dbraw/zinc/28/87/80/320288780.db2.gz GDFFWWWODFOUIH-UHFFFAOYSA-N -1 0 344.389 2.215 20 5 EEBDRM Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578535936 323650036 /nfs/dbraw/zinc/65/00/36/323650036.db2.gz RFQQDYTWEBSIFQ-SSDOTTSWSA-N -1 0 338.751 2.487 20 5 EEBDRM Cc1ccc(C[C@H](CO)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000582492881 324465378 /nfs/dbraw/zinc/46/53/78/324465378.db2.gz UFVCIDQKOPQRNF-GFCCVEGCSA-N -1 0 331.328 2.012 20 5 EEBDRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000336864705 465058683 /nfs/dbraw/zinc/05/86/83/465058683.db2.gz QWYVGEPLGBAEJA-CYBMUJFWSA-N -1 0 332.337 2.481 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000339071175 465064442 /nfs/dbraw/zinc/06/44/42/465064442.db2.gz AHOUEZUAASYLLZ-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM CCCC(=O)NC[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092707429 462975186 /nfs/dbraw/zinc/97/51/86/462975186.db2.gz UVLTYKNRJSWSQC-CYBMUJFWSA-N -1 0 335.404 2.429 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433599 463036299 /nfs/dbraw/zinc/03/62/99/463036299.db2.gz FVOSSBBPBJBULU-QMMMGPOBSA-N -1 0 344.165 2.443 20 5 EEBDRM COc1ccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000023648826 463070542 /nfs/dbraw/zinc/07/05/42/463070542.db2.gz LQHHGFAJLCQZQQ-UHFFFAOYSA-N -1 0 346.339 2.460 20 5 EEBDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000135041668 463109936 /nfs/dbraw/zinc/10/99/36/463109936.db2.gz KGJPSHCGNNJCCG-UHFFFAOYSA-N -1 0 330.753 2.389 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000158359863 463230127 /nfs/dbraw/zinc/23/01/27/463230127.db2.gz AOHOTTPAJRAYOS-NSHDSACASA-N -1 0 341.751 2.126 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000083955273 463568382 /nfs/dbraw/zinc/56/83/82/463568382.db2.gz VUJOKYUBSBDHTL-UHFFFAOYSA-N -1 0 328.375 2.118 20 5 EEBDRM COc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000261646890 463815201 /nfs/dbraw/zinc/81/52/01/463815201.db2.gz JAXRUJJFLNUMIO-LBPRGKRZSA-N -1 0 336.344 2.463 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000261746467 463847050 /nfs/dbraw/zinc/84/70/50/463847050.db2.gz UFNCWDIWPWJXQK-CYBMUJFWSA-N -1 0 346.261 2.382 20 5 EEBDRM O=C(NCc1ccc(OCC2CC2)nc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269200779 463906507 /nfs/dbraw/zinc/90/65/07/463906507.db2.gz RJMUZPLAWJXOLY-UHFFFAOYSA-N -1 0 343.339 2.414 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nnc(C3CC3)o2)c1[N+](=O)[O-] ZINC000194727607 463917332 /nfs/dbraw/zinc/91/73/32/463917332.db2.gz JQQFYLZOMRBCKC-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000194743571 463920088 /nfs/dbraw/zinc/92/00/88/463920088.db2.gz BVTDIMUQOHRTEE-UHFFFAOYSA-N -1 0 346.752 2.385 20 5 EEBDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000194790509 463928271 /nfs/dbraw/zinc/92/82/71/463928271.db2.gz SMJVIIGXQAPLBN-UHFFFAOYSA-N -1 0 326.334 2.076 20 5 EEBDRM Nc1c(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000262078435 463941389 /nfs/dbraw/zinc/94/13/89/463941389.db2.gz JVNOJRMFSWYOSA-JQWIXIFHSA-N -1 0 335.360 2.330 20 5 EEBDRM O=C(c1c([O-])cccc1F)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000186649665 464042114 /nfs/dbraw/zinc/04/21/14/464042114.db2.gz KZKGNCNRWMOBAW-JTQLQIEISA-N -1 0 346.318 2.161 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263310702 464081472 /nfs/dbraw/zinc/08/14/72/464081472.db2.gz HYVSFZJOVXMGIX-MNOVXSKESA-N -1 0 336.344 2.176 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@](C)(C(=O)[O-])C1 ZINC000263414901 464101634 /nfs/dbraw/zinc/10/16/34/464101634.db2.gz NOIZELDAYSNCHW-INIZCTEOSA-N -1 0 331.328 2.453 20 5 EEBDRM O=C([O-])[C@H]1CCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263560736 464130414 /nfs/dbraw/zinc/13/04/14/464130414.db2.gz BRNPZIRQRRYPMK-SNVBAGLBSA-N -1 0 329.150 2.406 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000292583891 464280768 /nfs/dbraw/zinc/28/07/68/464280768.db2.gz PMEXZNLYAZZJBV-CABCVRRESA-N -1 0 332.356 2.474 20 5 EEBDRM C[C@@H](N1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1)C(F)(F)F ZINC000175426648 464547242 /nfs/dbraw/zinc/54/72/42/464547242.db2.gz KGUOQILLHCULJZ-SECBINFHSA-N -1 0 347.293 2.009 20 5 EEBDRM CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000182083473 464567545 /nfs/dbraw/zinc/56/75/45/464567545.db2.gz VBPWLRQGIVMMIE-MFCFXOSFSA-N -1 0 340.401 2.110 20 5 EEBDRM O=C(NC[C@@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182093036 464570036 /nfs/dbraw/zinc/57/00/36/464570036.db2.gz MIGOJEXZGNDIML-CYBMUJFWSA-N -1 0 330.340 2.196 20 5 EEBDRM O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272394100 464591298 /nfs/dbraw/zinc/59/12/98/464591298.db2.gz VMRNVAYRMPYHCI-ZDUSSCGKSA-N -1 0 329.312 2.208 20 5 EEBDRM COC(=O)[C@H]1CC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000285767460 464687218 /nfs/dbraw/zinc/68/72/18/464687218.db2.gz JDLBZEIQDPMSBA-SFYZADRCSA-N -1 0 328.708 2.092 20 5 EEBDRM COCCCn1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000295384377 464812065 /nfs/dbraw/zinc/81/20/65/464812065.db2.gz FMSQIYKUUOHFHT-UHFFFAOYSA-N -1 0 334.332 2.094 20 5 EEBDRM COc1ccc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1[N+](=O)[O-] ZINC000593921291 468434666 /nfs/dbraw/zinc/43/46/66/468434666.db2.gz SNIGZKBIKSJEIY-INIZCTEOSA-N -1 0 334.328 2.031 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cccc3c2OCO3)cccc1[N+](=O)[O-] ZINC000337759103 465560939 /nfs/dbraw/zinc/56/09/39/465560939.db2.gz NTLUJQIELRBEAY-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000337798225 465588193 /nfs/dbraw/zinc/58/81/93/465588193.db2.gz XLXAXNNKMDZZLU-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM CCc1oncc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000337863623 465637152 /nfs/dbraw/zinc/63/71/52/465637152.db2.gz NJKFBTNHTXJKRG-UHFFFAOYSA-N -1 0 348.340 2.494 20 5 EEBDRM CC[C@](NC(=O)c1cccc([N+](=O)[O-])c1N)(C(=O)[O-])c1ccccc1 ZINC000362339643 465663892 /nfs/dbraw/zinc/66/38/92/465663892.db2.gz LYDSQALPXWIHAK-QGZVFWFLSA-N -1 0 343.339 2.297 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000357033901 465717355 /nfs/dbraw/zinc/71/73/55/465717355.db2.gz TXWJKMFSRCRBHE-CQSZACIVSA-N -1 0 344.323 2.029 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000597159236 468463361 /nfs/dbraw/zinc/46/33/61/468463361.db2.gz JPRJHMUTUCJQSW-KGLIPLIRSA-N -1 0 334.328 2.077 20 5 EEBDRM CCCN1C[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O ZINC000412233562 467046098 /nfs/dbraw/zinc/04/60/98/467046098.db2.gz OPGUJKYIHWAMDA-MRVPVSSYSA-N -1 0 341.751 2.151 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCOc2ccc(F)cc2C1 ZINC000428440041 467234615 /nfs/dbraw/zinc/23/46/15/467234615.db2.gz KARAXXUKQOGASK-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM COC(=O)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000436505019 467542303 /nfs/dbraw/zinc/54/23/03/467542303.db2.gz OMXIAFRNTJZVIO-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM CCOC(=O)C[C@](C)(NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000436580094 467545538 /nfs/dbraw/zinc/54/55/38/467545538.db2.gz FBXFYWUPORDLSG-INIZCTEOSA-N -1 0 338.360 2.398 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])CC2 ZINC000436795082 467554593 /nfs/dbraw/zinc/55/45/93/467554593.db2.gz XPKYJMHPSUWVNK-LBPRGKRZSA-N -1 0 344.371 2.365 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000493150395 467850763 /nfs/dbraw/zinc/85/07/63/467850763.db2.gz IFWNXOHCWYRYNK-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM COc1ccc(CC(=O)N(CC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000532793587 468142410 /nfs/dbraw/zinc/14/24/10/468142410.db2.gz OZEBENDIVNWMNK-UHFFFAOYSA-N -1 0 344.323 2.264 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000600800489 468660928 /nfs/dbraw/zinc/66/09/28/468660928.db2.gz MEBWPTGCPPCETR-DGCLKSJQSA-N -1 0 349.387 2.280 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000570635656 468669156 /nfs/dbraw/zinc/66/91/56/468669156.db2.gz QPQDFMJINLAUCA-AWEZNQCLSA-N -1 0 347.302 2.405 20 5 EEBDRM Cc1noc([C@@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000592756910 468776593 /nfs/dbraw/zinc/77/65/93/468776593.db2.gz BSMGUTCUNAGAIT-RXMQYKEDSA-N -1 0 326.696 2.136 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000592953284 468826809 /nfs/dbraw/zinc/82/68/09/468826809.db2.gz WBJVMIDXBRMEPE-UONOGXRCSA-N -1 0 334.372 2.487 20 5 EEBDRM Cc1cccc(C[C@@H](CO)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000592976739 468833074 /nfs/dbraw/zinc/83/30/74/468833074.db2.gz VCMYTXSCXSEXDU-ZDUSSCGKSA-N -1 0 345.355 2.320 20 5 EEBDRM CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598480278 468880234 /nfs/dbraw/zinc/88/02/34/468880234.db2.gz IVRZPJONWQAKMX-XJKSGUPXSA-N -1 0 336.344 2.152 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000593702164 469101304 /nfs/dbraw/zinc/10/13/04/469101304.db2.gz IAZQYFUUWFDGBP-QWHCGFSZSA-N -1 0 348.355 2.095 20 5 EEBDRM O=C([O-])[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CCC1 ZINC000595977420 469105364 /nfs/dbraw/zinc/10/53/64/469105364.db2.gz IKPZVJBHTKJCHX-SNVBAGLBSA-N -1 0 332.316 2.156 20 5 EEBDRM O=C([O-])Cc1ccc(NCC2(CF)CCOCC2)c([N+](=O)[O-])c1 ZINC000563214254 469202065 /nfs/dbraw/zinc/20/20/65/469202065.db2.gz SPVDIJOUBVPTDJ-UHFFFAOYSA-N -1 0 326.324 2.400 20 5 EEBDRM C[C@H]1CCCN(c2ccc(C(=O)NC3(C(=O)[O-])CC3)cc2[N+](=O)[O-])C1 ZINC000611464230 469255645 /nfs/dbraw/zinc/25/56/45/469255645.db2.gz XZKCWOAPCCFRCM-NSHDSACASA-N -1 0 347.371 2.178 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1F ZINC000611567664 469281754 /nfs/dbraw/zinc/28/17/54/469281754.db2.gz FKUMJXXIWYOMIA-AWEZNQCLSA-N -1 0 348.286 2.084 20 5 EEBDRM COc1cccc2c1OC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000613931181 469818630 /nfs/dbraw/zinc/81/86/30/469818630.db2.gz ZEQBUAZALZQJTG-NSHDSACASA-N -1 0 344.323 2.043 20 5 EEBDRM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000614270306 469896726 /nfs/dbraw/zinc/89/67/26/469896726.db2.gz IKFDZEJNWXCXGD-NHYWBVRUSA-N -1 0 330.340 2.195 20 5 EEBDRM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000614270305 469896748 /nfs/dbraw/zinc/89/67/48/469896748.db2.gz IKFDZEJNWXCXGD-IAQYHMDHSA-N -1 0 330.340 2.195 20 5 EEBDRM CC(C)(NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)NCC1CCCC1 ZINC000183382756 527284966 /nfs/dbraw/zinc/28/49/66/527284966.db2.gz YXBXTVWCKNMOIU-UHFFFAOYSA-N -1 0 349.387 2.115 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165086457 528569322 /nfs/dbraw/zinc/56/93/22/528569322.db2.gz FXBIGANRNDRPNO-SNVBAGLBSA-N -1 0 345.149 2.196 20 5 EEBDRM CCOC(=O)N[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000494677645 535393953 /nfs/dbraw/zinc/39/39/53/535393953.db2.gz WXFHVTMETZGLMB-GFCCVEGCSA-N -1 0 325.321 2.010 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-] ZINC000738069152 577998230 /nfs/dbraw/zinc/99/82/30/577998230.db2.gz YHVAZJYTLPFTLC-RKDXNWHRSA-N -1 0 342.373 2.384 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC000738305897 576295760 /nfs/dbraw/zinc/29/57/60/576295760.db2.gz SJJRGPHWNTVDCU-NSHDSACASA-N -1 0 339.304 2.041 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000738068680 576363995 /nfs/dbraw/zinc/36/39/95/576363995.db2.gz NTZYAHFOTVEFSN-ZDUSSCGKSA-N -1 0 342.307 2.432 20 5 EEBDRM O=C([O-])c1coc(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000740271878 576424637 /nfs/dbraw/zinc/42/46/37/576424637.db2.gz SXPFSEXIVAIJJO-UHFFFAOYSA-N -1 0 336.212 2.151 20 5 EEBDRM COCc1csc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000737836122 577011204 /nfs/dbraw/zinc/01/12/04/577011204.db2.gz MCKXYPXRHHOFON-UHFFFAOYSA-N -1 0 337.313 2.148 20 5 EEBDRM Cc1nn(C)c(NC[C@H](Cc2cccc(C)c2)C(=O)[O-])c1[N+](=O)[O-] ZINC000738708586 577151548 /nfs/dbraw/zinc/15/15/48/577151548.db2.gz YVJTVCRAYWYOQX-ZDUSSCGKSA-N -1 0 332.360 2.301 20 5 EEBDRM CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000773758045 577363297 /nfs/dbraw/zinc/36/32/97/577363297.db2.gz UCISXEGPEIPNAK-JTQLQIEISA-N -1 0 346.430 2.073 20 5 EEBDRM COc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc(OC)c1 ZINC000768864028 577564446 /nfs/dbraw/zinc/56/44/46/577564446.db2.gz HMXCAAFTWDNZJN-UHFFFAOYSA-N -1 0 344.370 2.474 20 5 EEBDRM Cn1c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1[N+](=O)[O-] ZINC000758468682 577625476 /nfs/dbraw/zinc/62/54/76/577625476.db2.gz HTNZDRKJILMTBZ-UHFFFAOYSA-N -1 0 340.679 2.453 20 5 EEBDRM O=C(Cn1c2ccccc2c(=O)c2ccccc21)[N-]OCC(F)F ZINC000760141456 577657630 /nfs/dbraw/zinc/65/76/30/577657630.db2.gz NARZRPNBLJTRDF-UHFFFAOYSA-N -1 0 332.306 2.468 20 5 EEBDRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000761425352 577683580 /nfs/dbraw/zinc/68/35/80/577683580.db2.gz ARJCBZCQWCKVNZ-UHFFFAOYSA-N -1 0 344.389 2.235 20 5 EEBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)CC1CCCCC1 ZINC000746445558 577927855 /nfs/dbraw/zinc/92/78/55/577927855.db2.gz AWISMNWGEOGEKX-UHFFFAOYSA-N -1 0 340.401 2.164 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2cccc(F)n2)c1C ZINC000747910509 577952242 /nfs/dbraw/zinc/95/22/42/577952242.db2.gz LPXVIYAAWODFKE-UHFFFAOYSA-N -1 0 339.348 2.224 20 5 EEBDRM O=C([O-])C[C@H]1CCCCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000739638943 578061912 /nfs/dbraw/zinc/06/19/12/578061912.db2.gz GXWRWAONAHDRRO-CYBMUJFWSA-N -1 0 345.359 2.140 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000740087641 578080353 /nfs/dbraw/zinc/08/03/53/578080353.db2.gz FLBLAJXXGPOWJO-UHFFFAOYSA-N -1 0 342.267 2.127 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])cs1 ZINC000740089342 578080379 /nfs/dbraw/zinc/08/03/79/578080379.db2.gz FOYLDFMDQFBFJH-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM C[C@@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])N1CCOCC1 ZINC000736606193 578214490 /nfs/dbraw/zinc/21/44/90/578214490.db2.gz AMSPFOHUQFRCGP-VIFPVBQESA-N -1 0 343.767 2.079 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000737247864 578246257 /nfs/dbraw/zinc/24/62/57/578246257.db2.gz ROIPLDVUUNSVDS-UHFFFAOYSA-N -1 0 333.304 2.247 20 5 EEBDRM COc1cc(C(=O)Oc2ccccc2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000737864626 578271523 /nfs/dbraw/zinc/27/15/23/578271523.db2.gz SSPLMZANPKKIOY-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000817948195 597224054 /nfs/dbraw/zinc/22/40/54/597224054.db2.gz SSBREEOUKKXKOQ-SNVBAGLBSA-N -1 0 334.250 2.453 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000819972737 597710045 /nfs/dbraw/zinc/71/00/45/597710045.db2.gz SWLTYLGMDHYRGX-SECBINFHSA-N -1 0 346.286 2.425 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000819181614 600763200 /nfs/dbraw/zinc/76/32/00/600763200.db2.gz LRDMSZPTAXXZGV-UHFFFAOYSA-N -1 0 343.339 2.335 20 5 EEBDRM CCc1noc([C@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000830344427 601064818 /nfs/dbraw/zinc/06/48/18/601064818.db2.gz TYTGIFYLVZZJAG-ZETCQYMHSA-N -1 0 335.272 2.156 20 5 EEBDRM Cc1oc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2C)cc1C(=O)[O-] ZINC000832958543 601217154 /nfs/dbraw/zinc/21/71/54/601217154.db2.gz KMZAYDRXEKFWHS-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM NC(COc1cccc(C(=O)[O-])c1)=NOCc1ccc([N+](=O)[O-])cc1 ZINC000833087774 601352720 /nfs/dbraw/zinc/35/27/20/601352720.db2.gz DJERNYNPGJYEPT-UHFFFAOYSA-N -1 0 345.311 2.370 20 5 EEBDRM Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)cc1[N+](=O)[O-] ZINC000832911940 601510472 /nfs/dbraw/zinc/51/04/72/601510472.db2.gz ABSZFDBWHSFQGJ-UHFFFAOYSA-N -1 0 343.339 2.415 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CC1 ZINC000833199129 601537543 /nfs/dbraw/zinc/53/75/43/601537543.db2.gz PYEZVZFWBDJDTF-CQSZACIVSA-N -1 0 347.371 2.178 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N(CCC(=O)[O-])Cc2ccncc2)c1 ZINC000832958041 601559537 /nfs/dbraw/zinc/55/95/37/601559537.db2.gz RKMDWLLYWONFLB-UHFFFAOYSA-N -1 0 343.339 2.415 20 5 EEBDRM O=C([O-])c1c(C2CC2)csc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000833123114 601808403 /nfs/dbraw/zinc/80/84/03/601808403.db2.gz TYMUEIBQHITTHE-UHFFFAOYSA-N -1 0 336.329 2.067 20 5 EEBDRM C[C@H](CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[S@](C)=O ZINC000827417295 604284442 /nfs/dbraw/zinc/28/44/42/604284442.db2.gz BZCZRPDTHAIOMY-ZZMSJOBRSA-N -1 0 326.374 2.262 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2nnc3n2CCC3)cc1Cl ZINC000833306528 604630075 /nfs/dbraw/zinc/63/00/75/604630075.db2.gz AOYUUQUNINNSGK-UHFFFAOYSA-N -1 0 337.723 2.096 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000833505930 605047444 /nfs/dbraw/zinc/04/74/44/605047444.db2.gz OTAOFHUTILCRMX-GFCCVEGCSA-N -1 0 344.751 2.198 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1C1CC1 ZINC000176074527 676849262 /nfs/dbraw/zinc/84/92/62/676849262.db2.gz UJVDAKOHYAHVOP-VHSXEESVSA-N -1 0 344.776 2.099 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029829157 689748961 /nfs/dbraw/zinc/74/89/61/689748961.db2.gz AABRAQGNHRMRHS-UHFFFAOYSA-N -1 0 331.284 2.481 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000263555402 690132192 /nfs/dbraw/zinc/13/21/92/690132192.db2.gz NWVVUSVQJIVGDU-ZETCQYMHSA-N -1 0 344.726 2.394 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000125115940 1198941673 /nfs/dbraw/zinc/94/16/73/1198941673.db2.gz LQQYNCVNCOKITD-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[N-]OC2CCC2)ccc1[N+](=O)[O-] ZINC000812795288 1200933375 /nfs/dbraw/zinc/93/33/75/1200933375.db2.gz ZZTPQIVJUJYAEC-OAHLLOKOSA-N -1 0 347.371 2.108 20 5 EEBDRM CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000092546989 1214565194 /nfs/dbraw/zinc/56/51/94/1214565194.db2.gz YAERVEDLUATUIR-UHFFFAOYSA-N -1 0 346.299 2.284 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)n1 ZINC000120047320 1229659898 /nfs/dbraw/zinc/65/98/98/1229659898.db2.gz VUABURCBIJEONP-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000803405189 1240294744 /nfs/dbraw/zinc/29/47/44/1240294744.db2.gz TZYQLXGBECRTLP-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)o1 ZINC000115924590 1294039090 /nfs/dbraw/zinc/03/90/90/1294039090.db2.gz WETCUBDFVFMSFB-UHFFFAOYSA-N -1 0 338.341 2.232 20 5 EEBDRM CC(C)(C)c1ccc(OC(=O)[C@H](O)CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001226447002 1301414989 /nfs/dbraw/zinc/41/49/89/1301414989.db2.gz ROTMCENCBSLAQZ-LLVKDONJSA-N -1 0 325.317 2.023 20 5 EEBDRM CC[C@H]1CCCC[C@H]1Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226652397 1301494563 /nfs/dbraw/zinc/49/45/63/1301494563.db2.gz LEHOLKQAJPABCT-DTWKUNHWSA-N -1 0 325.321 2.225 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nc(=O)[n-]c(C)c1Cl ZINC001227112357 1301691974 /nfs/dbraw/zinc/69/19/74/1301691974.db2.gz ZVGGHBRVNHQSRI-LURJTMIESA-N -1 0 327.728 2.025 20 5 EEBDRM C[C@@H](Oc1[n-]c(=O)nc2[nH]ccc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227270499 1301758346 /nfs/dbraw/zinc/75/83/46/1301758346.db2.gz GYWRTUGEUSCZKE-SSDOTTSWSA-N -1 0 344.283 2.440 20 5 EEBDRM O=c1nc(OC[C@@H]2CC[C@@]3(CCCCO3)O2)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231072134 1303611430 /nfs/dbraw/zinc/61/14/30/1303611430.db2.gz TZHQSNFLZMDXGN-ISVAXAHUSA-N -1 0 345.739 2.198 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1[n-]c(=O)nc2cccc(F)c21 ZINC001231073777 1303612108 /nfs/dbraw/zinc/61/21/08/1303612108.db2.gz JDLRDTOIPQSFEN-MRVPVSSYSA-N -1 0 347.306 2.355 20 5 EEBDRM COC(=O)[C@H]1CC[C@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001231224065 1303688970 /nfs/dbraw/zinc/68/89/70/1303688970.db2.gz LSYGSGOBXXLHQN-KYZUINATSA-N -1 0 340.288 2.319 20 5 EEBDRM CC(C)[C@H](F)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000784498866 1304491080 /nfs/dbraw/zinc/49/10/80/1304491080.db2.gz MSNGHQIHTSSMQN-VIFPVBQESA-N -1 0 338.744 2.047 20 5 EEBDRM COc1ccncc1-c1noc(Cc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001247986554 1310811228 /nfs/dbraw/zinc/81/12/28/1310811228.db2.gz FYIRJFGRLIDSNP-UHFFFAOYSA-N -1 0 328.284 2.345 20 5 EEBDRM O=C([N-]S(=O)(=O)[C@@H]1CC2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000835558925 1314928200 /nfs/dbraw/zinc/92/82/00/1314928200.db2.gz KABUMQSZDMORRD-QIMFLAQGSA-N -1 0 338.385 2.233 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)c1 ZINC000835744277 1314945063 /nfs/dbraw/zinc/94/50/63/1314945063.db2.gz OWKZJKLNYWYYTE-UHIISALHSA-N -1 0 338.385 2.151 20 5 EEBDRM CCCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000842279990 1315681919 /nfs/dbraw/zinc/68/19/19/1315681919.db2.gz FHXNGJPVLCEWIG-UHFFFAOYSA-N -1 0 344.389 2.242 20 5 EEBDRM CNC(=O)c1ccc2c(c1)nc(-c1cc([N+](=O)[O-])ccc1[O-])n2C ZINC001251044933 1317407314 /nfs/dbraw/zinc/40/73/14/1317407314.db2.gz BQHPDAJEAXRIJG-UHFFFAOYSA-N -1 0 326.312 2.214 20 5 EEBDRM CC(C)(CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])CC(=O)[O-] ZINC001603647554 1350733659 /nfs/dbraw/zinc/73/36/59/1350733659.db2.gz BTMDXTLCXGCQGT-UHFFFAOYSA-N -1 0 348.315 2.386 20 5 EEBDRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC001608557196 1351715199 /nfs/dbraw/zinc/71/51/99/1351715199.db2.gz LBLVSIXBNOJULL-SZEHBUNVSA-N -1 0 334.111 2.328 20 5 EEBDRM Cc1cc(OCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)ccc1[N+](=O)[O-] ZINC001607700612 1351541881 /nfs/dbraw/zinc/54/18/81/1351541881.db2.gz FGHFPANZVNAVAU-CYBMUJFWSA-N -1 0 338.360 2.288 20 5 EEBDRM O=C([O-])C1(CS(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])CCCC1 ZINC001608575071 1351719359 /nfs/dbraw/zinc/71/93/59/1351719359.db2.gz YDKZXESYYIQDEH-UHFFFAOYSA-N -1 0 347.320 2.088 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001608667690 1351737921 /nfs/dbraw/zinc/73/79/21/1351737921.db2.gz PXNDWPPCJNEYKH-SECBINFHSA-N -1 0 326.736 2.479 20 5 EEBDRM O=C([O-])CCSc1ncccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001608735778 1351751934 /nfs/dbraw/zinc/75/19/34/1351751934.db2.gz UMSAEENSCWKHEQ-UHFFFAOYSA-N -1 0 336.329 2.137 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccncc1 ZINC001608735187 1351752050 /nfs/dbraw/zinc/75/20/50/1351752050.db2.gz QZXUQZQHNZOTHW-UHFFFAOYSA-N -1 0 347.352 2.231 20 5 EEBDRM O=C([O-])COc1ccc(CNc2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC001608760249 1351756855 /nfs/dbraw/zinc/75/68/55/1351756855.db2.gz UTHBIARMEDOJOF-UHFFFAOYSA-N -1 0 346.295 2.399 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@]3(CC3(F)F)C2)cc([N+](=O)[O-])c1 ZINC001608835687 1351775036 /nfs/dbraw/zinc/77/50/36/1351775036.db2.gz RSLNRNQKYGKHAL-ZDUSSCGKSA-N -1 0 326.255 2.164 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc3c(cn2)OCCC3)cc([N+](=O)[O-])c1 ZINC001608855786 1351779994 /nfs/dbraw/zinc/77/99/94/1351779994.db2.gz DHJPYQVYIUAVJY-UHFFFAOYSA-N -1 0 343.295 2.265 20 5 EEBDRM O=C([O-])c1ccc(OCc2cn(-c3ccccc3)nn2)cc1[N+](=O)[O-] ZINC001608908375 1351791965 /nfs/dbraw/zinc/79/19/65/1351791965.db2.gz VGVXEGGSDZKORP-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001609024092 1351817704 /nfs/dbraw/zinc/81/77/04/1351817704.db2.gz OCJQDWFSAPEARQ-SFYZADRCSA-N -1 0 329.255 2.417 20 5 EEBDRM O=C(Nc1cnn(Cc2cccnc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001325058798 1333820945 /nfs/dbraw/zinc/82/09/45/1333820945.db2.gz WIKDDLGRIFORMB-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC2CCC1CC2 ZINC001326314899 1334066694 /nfs/dbraw/zinc/06/66/94/1334066694.db2.gz NFRJVPACPGHGJK-QIMFLAQGSA-N -1 0 338.385 2.226 20 5 EEBDRM CC(C)(CC(=O)[O-])C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001609673219 1352055848 /nfs/dbraw/zinc/05/58/48/1352055848.db2.gz UWIKXIBQEQIIEY-UHFFFAOYSA-N -1 0 349.299 2.189 20 5 EEBDRM C[C@H]1CC[C@H](CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])O1 ZINC001609847951 1352100394 /nfs/dbraw/zinc/10/03/94/1352100394.db2.gz OYVPVLRVWJICQL-IONNQARKSA-N -1 0 325.277 2.181 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001609924528 1352121215 /nfs/dbraw/zinc/12/12/15/1352121215.db2.gz IBKDCUPFOVDHLJ-JQWIXIFHSA-N -1 0 344.314 2.388 20 5 EEBDRM COc1ccc(F)cc1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610339179 1352207612 /nfs/dbraw/zinc/20/76/12/1352207612.db2.gz QPDBGSOKTWWAEZ-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM Cc1c(NC(=O)c2cn(C(C)C)nn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610425442 1352220764 /nfs/dbraw/zinc/22/07/64/1352220764.db2.gz LMEWDWYCLLOAEL-UHFFFAOYSA-N -1 0 333.304 2.026 20 5 EEBDRM Cc1nc2c(cnn2C)c(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC001610560607 1352244957 /nfs/dbraw/zinc/24/49/57/1352244957.db2.gz KQLCZDGBZKHWIH-UHFFFAOYSA-N -1 0 329.272 2.070 20 5 EEBDRM Nc1ccc(N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001610649188 1352257339 /nfs/dbraw/zinc/25/73/39/1352257339.db2.gz NNNGFIAQNWSUMG-UONOGXRCSA-N -1 0 343.339 2.187 20 5 EEBDRM O=C([O-])c1c[nH]c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 ZINC001610807876 1352278340 /nfs/dbraw/zinc/27/83/40/1352278340.db2.gz JTTBNAWGXMGXAB-UHFFFAOYSA-N -1 0 347.312 2.358 20 5 EEBDRM O=C([O-])c1cccc(F)c1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001574817507 1343704832 /nfs/dbraw/zinc/70/48/32/1343704832.db2.gz GGVFOKBEXINQCZ-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001591862580 1349549250 /nfs/dbraw/zinc/54/92/50/1349549250.db2.gz DASGTHDBIUQGMU-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM O=[N+]([O-])c1cccc(CNc2nc(-c3nnn[n-]3)c(Cl)s2)c1 ZINC001593484292 1349813818 /nfs/dbraw/zinc/81/38/18/1349813818.db2.gz UBFUAQXSSFNMLW-UHFFFAOYSA-N -1 0 337.752 2.497 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001600020353 1349956716 /nfs/dbraw/zinc/95/67/16/1349956716.db2.gz AUJJVKPPRGUPPB-ZDUSSCGKSA-N -1 0 346.314 2.468 20 5 EEBDRM Cc1c(NC(=O)CCOCC(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600032309 1349958479 /nfs/dbraw/zinc/95/84/79/1349958479.db2.gz PXWMAMPSOHCCKH-UHFFFAOYSA-N -1 0 332.259 2.212 20 5 EEBDRM Cc1c(NC(=O)N2CCC(F)(F)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600037959 1349959714 /nfs/dbraw/zinc/95/97/14/1349959714.db2.gz IXIKIOKBDBBAMF-UHFFFAOYSA-N -1 0 329.259 2.474 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2c3ccccc3CC[C@H]2O)n1 ZINC001600106291 1349972269 /nfs/dbraw/zinc/97/22/69/1349972269.db2.gz JOGBXQQJVWYZJZ-KGLIPLIRSA-N -1 0 343.339 2.457 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2Cc3ccccc3[C@H]2O)n1 ZINC001600105986 1349972392 /nfs/dbraw/zinc/97/23/92/1349972392.db2.gz SBQNCSZSIMKONA-TZMCWYRMSA-N -1 0 329.312 2.067 20 5 EEBDRM Cc1cc(C)cc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C(=O)[O-])c1 ZINC001600170065 1349984677 /nfs/dbraw/zinc/98/46/77/1349984677.db2.gz OUJZNGBNSIPNEN-OAHLLOKOSA-N -1 0 343.339 2.471 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001600303106 1350015124 /nfs/dbraw/zinc/01/51/24/1350015124.db2.gz WKANVBBRSYTBDQ-CQSZACIVSA-N -1 0 325.296 2.242 20 5 EEBDRM Cc1cc(SCc2cccc(C(N)=O)n2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600303676 1350015374 /nfs/dbraw/zinc/01/53/74/1350015374.db2.gz WRCDUABPICPIDG-UHFFFAOYSA-N -1 0 347.352 2.388 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001600487456 1350063230 /nfs/dbraw/zinc/06/32/30/1350063230.db2.gz WQHFITHMNCNDIF-XQHKEYJVSA-N -1 0 332.356 2.441 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1 ZINC001600486658 1350063269 /nfs/dbraw/zinc/06/32/69/1350063269.db2.gz BYABTQMGYRGCLI-RABLLNBGSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC001600552233 1350080483 /nfs/dbraw/zinc/08/04/83/1350080483.db2.gz SSQNGUVEEAAKON-MRXNPFEDSA-N -1 0 335.360 2.028 20 5 EEBDRM Cc1nn(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)c(C)c1[N+](=O)[O-] ZINC001600788878 1350138062 /nfs/dbraw/zinc/13/80/62/1350138062.db2.gz IZJDDDTVHYDYTD-UHFFFAOYSA-N -1 0 348.334 2.261 20 5 EEBDRM Cc1sc(C(=O)NC2(C(=O)[O-])CCSCC2)cc1[N+](=O)[O-] ZINC001600865891 1350155270 /nfs/dbraw/zinc/15/52/70/1350155270.db2.gz YCPXLZSILCCKET-UHFFFAOYSA-N -1 0 330.387 2.045 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001600902844 1350163839 /nfs/dbraw/zinc/16/38/39/1350163839.db2.gz BPRSMTXRAJQKBA-UHFFFAOYSA-N -1 0 345.355 2.384 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001601216911 1350233982 /nfs/dbraw/zinc/23/39/82/1350233982.db2.gz VQQDUSHBLZQNMK-UHFFFAOYSA-N -1 0 327.296 2.078 20 5 EEBDRM O=C([O-])C1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC001601429929 1350282171 /nfs/dbraw/zinc/28/21/71/1350282171.db2.gz XUWWIFOMGPDEKY-UHFFFAOYSA-N -1 0 343.133 2.094 20 5 EEBDRM O=C([O-])[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCOC1 ZINC001601655504 1350329903 /nfs/dbraw/zinc/32/99/03/1350329903.db2.gz MYZJLBSTCACXRM-APPZFPTMSA-N -1 0 349.265 2.158 20 5 EEBDRM O=C([O-])C12CC(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])(C1)C2 ZINC001601728964 1350349933 /nfs/dbraw/zinc/34/99/33/1350349933.db2.gz UOPVXITURKVVIJ-UHFFFAOYSA-N -1 0 338.747 2.162 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001601855367 1350381109 /nfs/dbraw/zinc/38/11/09/1350381109.db2.gz DHTACKGGSYHRGH-SECBINFHSA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NC[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC001602074700 1350431508 /nfs/dbraw/zinc/43/15/08/1350431508.db2.gz JMSVKLTVDLDKAS-LLVKDONJSA-N -1 0 333.344 2.177 20 5 EEBDRM O=C([O-])Cc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 ZINC001602133472 1350447225 /nfs/dbraw/zinc/44/72/25/1350447225.db2.gz XTSQJMVYKWRQBW-UHFFFAOYSA-N -1 0 340.295 2.258 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)OCCOc2ccccc2[N+](=O)[O-])c1 ZINC001602136898 1350447455 /nfs/dbraw/zinc/44/74/55/1350447455.db2.gz OWBZMUGDXMOJFM-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001602137275 1350447550 /nfs/dbraw/zinc/44/75/50/1350447550.db2.gz XCVCPFGNMYEUPX-UHFFFAOYSA-N -1 0 346.251 2.349 20 5 EEBDRM O=C([O-])Cc1ccccc1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001602147706 1350451234 /nfs/dbraw/zinc/45/12/34/1350451234.db2.gz URFDOOFUZZZOTK-UHFFFAOYSA-N -1 0 345.307 2.344 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C1CC1 ZINC001602186647 1350460427 /nfs/dbraw/zinc/46/04/27/1350460427.db2.gz YFDGJKYCOVKJIX-NWDGAFQWSA-N -1 0 338.747 2.431 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1N(c1ncnc3ccc([N+](=O)[O-])cc31)CC2 ZINC001602222682 1350469920 /nfs/dbraw/zinc/46/99/20/1350469920.db2.gz TVHJOIIXJCTGIA-CJNGLKHVSA-N -1 0 328.328 2.372 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC001602323889 1350494352 /nfs/dbraw/zinc/49/43/52/1350494352.db2.gz LHAVICODTWXIKO-UHFFFAOYSA-N -1 0 326.211 2.094 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC001602403898 1350511498 /nfs/dbraw/zinc/51/14/98/1350511498.db2.gz TVROQTFNQDTYOK-ZDUSSCGKSA-N -1 0 347.371 2.132 20 5 EEBDRM O=C([O-])c1ccc2cc(CCNC(=O)c3cc([N+](=O)[O-])c[nH]3)oc2c1 ZINC001602427967 1350517200 /nfs/dbraw/zinc/51/72/00/1350517200.db2.gz IJUCHVZZGVKWJX-UHFFFAOYSA-N -1 0 343.295 2.340 20 5 EEBDRM O=C([O-])c1cnc(NC2CCC(O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001602528836 1350539323 /nfs/dbraw/zinc/53/93/23/1350539323.db2.gz DKEKBFIEAWAGJT-UHFFFAOYSA-N -1 0 349.265 2.336 20 5 EEBDRM O=C([O-])/C(=C/c1ccc(Cl)cc1[N+](=O)[O-])CN1CCC(=O)CC1 ZINC001602647007 1350565429 /nfs/dbraw/zinc/56/54/29/1350565429.db2.gz SXLJFPRKLAGFRK-YRNVUSSQSA-N -1 0 338.747 2.381 20 5 EEBDRM CC(C)CC[C@@](C)(O)CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001603278480 1350678100 /nfs/dbraw/zinc/67/81/00/1350678100.db2.gz PITJFJGJQIYJOD-OAHLLOKOSA-N -1 0 334.380 2.374 20 5 EEBDRM CC(C)C(=O)N1CCC(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001603700620 1350745682 /nfs/dbraw/zinc/74/56/82/1350745682.db2.gz HQSIUXHWGIPHJT-UHFFFAOYSA-N -1 0 349.387 2.281 20 5 EEBDRM C[C@@](NCc1nnc(C2CC2)s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604349984 1350921585 /nfs/dbraw/zinc/92/15/85/1350921585.db2.gz SLMNQCGZGBWWIM-HNNXBMFYSA-N -1 0 348.384 2.413 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001604961152 1351039940 /nfs/dbraw/zinc/03/99/40/1351039940.db2.gz WGBBNKCOGMQYCA-JTQLQIEISA-N -1 0 326.324 2.378 20 5 EEBDRM CSC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001605377198 1351148511 /nfs/dbraw/zinc/14/85/11/1351148511.db2.gz PVAOTBOVZRJWGZ-JTQLQIEISA-N -1 0 334.405 2.354 20 5 EEBDRM CCOC(=O)CCN(C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001605537005 1351184041 /nfs/dbraw/zinc/18/40/41/1351184041.db2.gz QKVOMPZZHVWQLG-UHFFFAOYSA-N -1 0 330.724 2.336 20 5 EEBDRM CCc1[nH]nc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)c1[N+](=O)[O-] ZINC001605775924 1351222896 /nfs/dbraw/zinc/22/28/96/1351222896.db2.gz NQUPKCVHSRPFIJ-UHFFFAOYSA-N -1 0 344.327 2.172 20 5 EEBDRM COc1ccc(/C=C/C(=O)[O-])cc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC001607242325 1351457325 /nfs/dbraw/zinc/45/73/25/1351457325.db2.gz JIXHPMVMSRJHBV-GQCTYLIASA-N -1 0 347.327 2.285 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001607410932 1351490439 /nfs/dbraw/zinc/49/04/39/1351490439.db2.gz WIZYQYHSZFQSQU-SECBINFHSA-N -1 0 346.311 2.251 20 5 EEBDRM C[C@H]1CN(c2cccc(Br)c2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC001607477992 1351500405 /nfs/dbraw/zinc/50/04/05/1351500405.db2.gz AYPMBHQOYLDHRQ-XVKPBYJWSA-N -1 0 345.149 2.036 20 5 EEBDRM Cc1c(C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)cccc1[N+](=O)[O-] ZINC001607507986 1351507716 /nfs/dbraw/zinc/50/77/16/1351507716.db2.gz LXWCOQDQOGNJEQ-VMBJYNEYSA-N -1 0 348.355 2.045 20 5 EEBDRM Cc1cc(=O)n(Cc2ccc(C3(C(=O)[O-])CC3)cc2)cc1[N+](=O)[O-] ZINC001607560779 1351515697 /nfs/dbraw/zinc/51/56/97/1351515697.db2.gz UIQQEXGYAGOUGT-UHFFFAOYSA-N -1 0 328.324 2.229 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc([S@](C)=O)cc2)n1 ZINC001607589530 1351520666 /nfs/dbraw/zinc/52/06/66/1351520666.db2.gz OTTAKLDIWZOSLN-DEOSSOPVSA-N -1 0 349.368 2.346 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1cccc(C(=O)[O-])c1 ZINC001607710011 1351544404 /nfs/dbraw/zinc/54/44/04/1351544404.db2.gz VSUQCBQXJNJHCJ-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C1CC1 ZINC000815946317 1368077931 /nfs/dbraw/zinc/07/79/31/1368077931.db2.gz MAGAHDYIHOCNGW-UHFFFAOYSA-N -1 0 332.403 2.288 20 5 EEBDRM C[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000111572142 1369376263 /nfs/dbraw/zinc/37/62/63/1369376263.db2.gz ZNTXYGLHBMSXPV-SNVBAGLBSA-N -1 0 338.323 2.322 20 5 EEBDRM Cc1ccc(C)c(OCCCn2cc([N+](=O)[O-])c(-c3nnn[n-]3)n2)c1 ZINC001592140717 1404005635 /nfs/dbraw/zinc/00/56/35/1404005635.db2.gz XLMNFTKQVLNGEW-UHFFFAOYSA-N -1 0 343.347 2.057 20 5 EEBDRM O=[N+]([O-])c1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)nc1 ZINC001167932805 780970082 /nfs/dbraw/zinc/97/00/82/780970082.db2.gz YIWDDFUVVMOURU-UHFFFAOYSA-N -1 0 335.256 2.075 20 5 EEBDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000816006538 783582085 /nfs/dbraw/zinc/58/20/85/783582085.db2.gz DFPWKGOUJXVKAG-UHFFFAOYSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C([O-])c1cnc(N2CCS[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000906155660 783725146 /nfs/dbraw/zinc/72/51/46/783725146.db2.gz OIBBSRLUAVKILF-MRVPVSSYSA-N -1 0 337.279 2.172 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])nn1C ZINC000817353226 784690641 /nfs/dbraw/zinc/69/06/41/784690641.db2.gz QNDXSNVXHHLUTQ-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1O ZINC000819354098 785517806 /nfs/dbraw/zinc/51/78/06/785517806.db2.gz DWWFKEHGOLCKNE-UHFFFAOYSA-N -1 0 346.295 2.435 20 5 EEBDRM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000819953019 785739558 /nfs/dbraw/zinc/73/95/58/785739558.db2.gz IDJYEZLXYCAYAR-TVQRCGJNSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000820058321 785764168 /nfs/dbraw/zinc/76/41/68/785764168.db2.gz GWJGLAKPVSFJEH-PSASIEDQSA-N -1 0 332.403 2.288 20 5 EEBDRM C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000910388518 786731580 /nfs/dbraw/zinc/73/15/80/786731580.db2.gz IXUWJPLCEQTTPJ-LBPRGKRZSA-N -1 0 342.355 2.403 20 5 EEBDRM Cn1ccnc1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000844216222 788935664 /nfs/dbraw/zinc/93/56/64/788935664.db2.gz XBVVZBLONNWFNF-NSHDSACASA-N -1 0 330.344 2.411 20 5 EEBDRM O=C([O-])CCCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000844243231 788952479 /nfs/dbraw/zinc/95/24/79/788952479.db2.gz SIRQWCSUNIIRHL-UHFFFAOYSA-N -1 0 336.344 2.220 20 5 EEBDRM CC(C)c1[nH]ccc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000845468275 789800085 /nfs/dbraw/zinc/80/00/85/789800085.db2.gz PCGGZDFSMDZDIH-UHFFFAOYSA-N -1 0 343.386 2.227 20 5 EEBDRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000845490047 789812694 /nfs/dbraw/zinc/81/26/94/789812694.db2.gz SMVZIOSEBFBBIF-UHFFFAOYSA-N -1 0 344.389 2.235 20 5 EEBDRM CCCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842452162 790211620 /nfs/dbraw/zinc/21/16/20/790211620.db2.gz OWZAITNDAPCGEC-UHFFFAOYSA-N -1 0 340.279 2.219 20 5 EEBDRM C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000151761401 794143552 /nfs/dbraw/zinc/14/35/52/794143552.db2.gz NNXJUPBMSLIZEO-UWVGGRQHSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C([O-])c1ccc(Nc2cccnc2OC2COC2)cc1[N+](=O)[O-] ZINC001174503100 797784290 /nfs/dbraw/zinc/78/42/90/797784290.db2.gz CVZNJSDWRUIFBF-UHFFFAOYSA-N -1 0 331.284 2.209 20 5 EEBDRM CCNc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001589960459 950739028 /nfs/dbraw/zinc/73/90/28/950739028.db2.gz YZWLZSOQMKRAGC-IINYFYTJSA-N -1 0 335.360 2.352 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000831029006 955543333 /nfs/dbraw/zinc/54/33/33/955543333.db2.gz QRFGQNBOPDOKHO-SCZZXKLOSA-N -1 0 341.751 2.301 20 5 EEBDRM Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(N)c([N+](=O)[O-])c1 ZINC000848454582 955745386 /nfs/dbraw/zinc/74/53/86/955745386.db2.gz QRMDMVLMNXUYDE-ADEWGFFLSA-N -1 0 349.387 2.351 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH]nc1C(=O)[O-] ZINC001589173319 956476635 /nfs/dbraw/zinc/47/66/35/956476635.db2.gz WLCVBWMAHXXWSL-ZETCQYMHSA-N -1 0 336.329 2.135 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001589190038 956589504 /nfs/dbraw/zinc/58/95/04/956589504.db2.gz AIECNSBPQHTGBJ-UHFFFAOYSA-N -1 0 338.335 2.380 20 5 EEBDRM C[C@@H](NC(=O)C1(CC(=O)[O-])CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001594200153 959244933 /nfs/dbraw/zinc/24/49/33/959244933.db2.gz WTBDDKZIBDVQNN-LLVKDONJSA-N -1 0 336.344 2.044 20 5 EEBDRM O=C([O-])c1ncccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001606547111 970318430 /nfs/dbraw/zinc/31/84/30/970318430.db2.gz CRVKEISARAVZNQ-NWDGAFQWSA-N -1 0 327.296 2.430 20 5 EEBDRM COC(=O)c1ccnc(NCc2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC001604403215 973147713 /nfs/dbraw/zinc/14/77/13/973147713.db2.gz HIEDMNKKXWWUGD-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM Nc1c(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc2ccccc2c1[N+](=O)[O-] ZINC001605653347 974028218 /nfs/dbraw/zinc/02/82/18/974028218.db2.gz BNKGFYOFXQGWAJ-YPMHNXCESA-N -1 0 343.339 2.313 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001592278325 977562592 /nfs/dbraw/zinc/56/25/92/977562592.db2.gz SVFNXKNJVXRYJU-CQSZACIVSA-N -1 0 342.298 2.446 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001592309630 977681135 /nfs/dbraw/zinc/68/11/35/977681135.db2.gz XJBQVSAGWYHDLV-INIZCTEOSA-N -1 0 329.312 2.110 20 5 EEBDRM CC[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)C(=O)[O-] ZINC001595349123 980651926 /nfs/dbraw/zinc/65/19/26/980651926.db2.gz QWHQPQPADFIAAR-KWQFWETISA-N -1 0 339.300 2.022 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001594974358 982745397 /nfs/dbraw/zinc/74/53/97/982745397.db2.gz FGNJRRJZPCDFKE-MRVPVSSYSA-N -1 0 330.287 2.127 20 5 EEBDRM CCN(Cc1ccncc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001596375148 983882456 /nfs/dbraw/zinc/88/24/56/983882456.db2.gz KZKOPXOKICPJPR-UHFFFAOYSA-N -1 0 345.355 2.475 20 5 EEBDRM C[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccc([N+](=O)[O-])cc1 ZINC001599899824 984799540 /nfs/dbraw/zinc/79/95/40/984799540.db2.gz VCBLMAZQQALRAS-LEWSCRJBSA-N -1 0 336.344 2.184 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC001589000634 984941040 /nfs/dbraw/zinc/94/10/40/984941040.db2.gz CJCDQOOEZGQZGI-JQPIKURYSA-N -1 0 341.323 2.335 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001589002315 984947257 /nfs/dbraw/zinc/94/72/57/984947257.db2.gz PJJFUFRCDBVQGI-KLQCNHIUSA-N -1 0 341.323 2.335 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC[S@@](=O)C1 ZINC001594575809 986414223 /nfs/dbraw/zinc/41/42/23/986414223.db2.gz OQTRMGGVOTWXPU-CWMRNNLJSA-N -1 0 346.792 2.151 20 5 EEBDRM C[C@H]1CNc2c(Nc3ccc(CC(=O)[O-])cc3[N+](=O)[O-])cnn2C1 ZINC001594588063 986488900 /nfs/dbraw/zinc/48/89/00/986488900.db2.gz VKIANBVUOTWGOT-VIFPVBQESA-N -1 0 331.332 2.224 20 5 EEBDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001589521222 987165497 /nfs/dbraw/zinc/16/54/97/987165497.db2.gz KBZMRGWIRPLDPP-QMMMGPOBSA-N -1 0 331.284 2.136 20 5 EEBDRM CC(C)(C(=O)NC[C@H](CC1CC1)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589567440 987333262 /nfs/dbraw/zinc/33/32/62/987333262.db2.gz PMTNCDDPFWLXPK-LBPRGKRZSA-N -1 0 334.372 2.490 20 5 EEBDRM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001589581023 987361428 /nfs/dbraw/zinc/36/14/28/987361428.db2.gz WACFKEBFYORPMM-BYNQJWBRSA-N -1 0 346.383 2.488 20 5 EEBDRM C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccc([N+](=O)[O-])cc1 ZINC001599838260 988779690 /nfs/dbraw/zinc/77/96/90/988779690.db2.gz KVLAYXKTWURZBS-SNVBAGLBSA-N -1 0 329.312 2.108 20 5 EEBDRM CC(C)(C)c1noc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n1 ZINC001590583017 990228047 /nfs/dbraw/zinc/22/80/47/990228047.db2.gz AKVXTTUYKUWNKQ-MRXNPFEDSA-N -1 0 348.359 2.365 20 5 EEBDRM CC(C)(NC(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001590848359 990719043 /nfs/dbraw/zinc/71/90/43/990719043.db2.gz ARWZNXHTOVZKHU-UHFFFAOYSA-N -1 0 335.360 2.382 20 5 EEBDRM CN(Cc1noc(C2CC2)n1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598541538 992905959 /nfs/dbraw/zinc/90/59/59/992905959.db2.gz NQTQHAQSPCZAND-UHFFFAOYSA-N -1 0 332.316 2.119 20 5 EEBDRM C[C@@](NC(=O)c1ccc(Cl)nc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593164025 994004472 /nfs/dbraw/zinc/00/44/72/994004472.db2.gz WCKFACKIOYEXHB-HNNXBMFYSA-N -1 0 349.730 2.373 20 5 EEBDRM CNC(=O)Oc1cccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001598654491 994499683 /nfs/dbraw/zinc/49/96/83/994499683.db2.gz OABNJRCBBIUPNR-UHFFFAOYSA-N -1 0 332.272 2.150 20 5 EEBDRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)c1ccc([N+](=O)[O-])o1)CC2 ZINC001599498030 997054206 /nfs/dbraw/zinc/05/42/06/997054206.db2.gz QUTXNAYLJUUTHV-UHFFFAOYSA-N -1 0 346.295 2.093 20 5 EEBDRM COc1cc(CN(CC(=O)[O-])c2ccc([N+](=O)[O-])nc2)cc(OC)c1 ZINC001599407304 997336451 /nfs/dbraw/zinc/33/64/51/997336451.db2.gz ZBDVHJSNIWQLNJ-UHFFFAOYSA-N -1 0 347.327 2.098 20 5 EEBDRM COc1c(C(=O)N2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001599328655 997709123 /nfs/dbraw/zinc/70/91/23/997709123.db2.gz NIIUQFMFEJHQJC-UWVGGRQHSA-N -1 0 336.344 2.317 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)/C=C/C(=O)[O-])cc1SC ZINC001599462449 998297051 /nfs/dbraw/zinc/29/70/51/998297051.db2.gz TYXJQMFSXPSVPB-ZJELKQJVSA-N -1 0 340.357 2.084 20 5 EEBDRM Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CF)C1 ZINC001519971328 1119117582 /nfs/dbraw/zinc/11/75/82/1119117582.db2.gz XIFFSLCKXMMHGN-JTQLQIEISA-N -1 0 335.339 2.282 20 5 EEBDRM CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000187745613 529449851 /nfs/dbraw/zinc/44/98/51/529449851.db2.gz LRRXBVNOVMBGMG-MFCFXOSFSA-N -1 0 340.401 2.110 20 5 EEBDRM Cc1csc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000130395333 223149310 /nfs/dbraw/zinc/14/93/10/223149310.db2.gz XNKLYRZMXLXXPU-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM C[C@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCCC[C@@H]1C(=O)[O-] ZINC000262790458 245180127 /nfs/dbraw/zinc/18/01/27/245180127.db2.gz NCLCBEQLTCFSQE-CJNGLKHVSA-N -1 0 336.344 2.123 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262970415 245276374 /nfs/dbraw/zinc/27/63/74/245276374.db2.gz MQRPRHQTTGKMDL-OZVIIMIRSA-N -1 0 347.371 2.109 20 5 EEBDRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262986710 245285231 /nfs/dbraw/zinc/28/52/31/245285231.db2.gz NTIUALYRNLFQMI-HNNXBMFYSA-N -1 0 334.332 2.090 20 5 EEBDRM CN(C)C(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000179434267 255924078 /nfs/dbraw/zinc/92/40/78/255924078.db2.gz NGHNNZZEPUHPPE-UHFFFAOYSA-N -1 0 343.339 2.183 20 5 EEBDRM Cc1cnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)s1 ZINC000273223201 256278163 /nfs/dbraw/zinc/27/81/63/256278163.db2.gz NJMVXEZGEYRQFG-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](OCc2ccccn2)C1 ZINC000273234621 256278543 /nfs/dbraw/zinc/27/85/43/256278543.db2.gz PEKHXMNJQDZDSK-AWEZNQCLSA-N -1 0 343.339 2.127 20 5 EEBDRM COC1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000416268588 292099012 /nfs/dbraw/zinc/09/90/12/292099012.db2.gz KCSXBJCEYSIEDH-UHFFFAOYSA-N -1 0 348.277 2.484 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(Cc2cccs2)CC1 ZINC000119889372 292249385 /nfs/dbraw/zinc/24/93/85/292249385.db2.gz MYEAXOCSUVQRSL-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM C[C@H](CN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263086125 152371611 /nfs/dbraw/zinc/37/16/11/152371611.db2.gz BTRNYYLJDVAJCI-SECBINFHSA-N -1 0 344.751 2.196 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000263137509 152384278 /nfs/dbraw/zinc/38/42/78/152384278.db2.gz DJFIECHRKBPTKM-WDEREUQCSA-N -1 0 338.385 2.256 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000261669245 160406831 /nfs/dbraw/zinc/40/68/31/160406831.db2.gz LNONIZLEZCXNLI-LBPRGKRZSA-N -1 0 336.344 2.220 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000089531043 159182817 /nfs/dbraw/zinc/18/28/17/159182817.db2.gz MHHHCYWHOFSRNR-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)cc1[N+](=O)[O-] ZINC000093906527 159240270 /nfs/dbraw/zinc/24/02/70/159240270.db2.gz UOEJJPHMPNNNJG-UHFFFAOYSA-N -1 0 342.764 2.335 20 5 EEBDRM CCOc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000337127653 160602014 /nfs/dbraw/zinc/60/20/14/160602014.db2.gz HCFDNCYEGIAOOQ-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000238185278 160228749 /nfs/dbraw/zinc/22/87/49/160228749.db2.gz AYGLZSJLVNUQBF-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC(F)F ZINC000342277178 161052985 /nfs/dbraw/zinc/05/29/85/161052985.db2.gz BTXNYHXOTFBMHC-UHFFFAOYSA-N -1 0 335.115 2.445 20 5 EEBDRM NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000346612078 161385992 /nfs/dbraw/zinc/38/59/92/161385992.db2.gz MIAZHNUZONFNIK-HTQZYQBOSA-N -1 0 341.751 2.184 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccon2)c(Br)c1 ZINC000352879523 162327059 /nfs/dbraw/zinc/32/70/59/162327059.db2.gz XQOAUKHPZQHJMT-UHFFFAOYSA-N -1 0 348.134 2.146 20 5 EEBDRM C[S@](=O)c1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000362492102 164694585 /nfs/dbraw/zinc/69/45/85/164694585.db2.gz IPOFMFBVBFFORH-DEOSSOPVSA-N -1 0 348.336 2.283 20 5 EEBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)ccc1F ZINC000365018098 165353908 /nfs/dbraw/zinc/35/39/08/165353908.db2.gz OCEUZDJTXHSZLA-UHFFFAOYSA-N -1 0 340.336 2.068 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000272684788 269008878 /nfs/dbraw/zinc/00/88/78/269008878.db2.gz OOLQBYANUKPMCK-ZDUSSCGKSA-N -1 0 338.360 2.397 20 5 EEBDRM Cc1cc(S(=O)(=O)N(CCC(=O)[O-])CC(C)C)ccc1[N+](=O)[O-] ZINC000275118312 269096196 /nfs/dbraw/zinc/09/61/96/269096196.db2.gz LVTCVFYPBUEHAA-UHFFFAOYSA-N -1 0 344.389 2.025 20 5 EEBDRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000275342656 269108789 /nfs/dbraw/zinc/10/87/89/269108789.db2.gz RVEITNHWQUVMTC-LLVKDONJSA-N -1 0 344.389 2.085 20 5 EEBDRM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[nH]1 ZINC000277915325 269198082 /nfs/dbraw/zinc/19/80/82/269198082.db2.gz RALSLIKEPLQYIF-BDAKNGLRSA-N -1 0 333.348 2.423 20 5 EEBDRM O=C(Nc1ccc(-n2ccnn2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185763511 274022451 /nfs/dbraw/zinc/02/24/51/274022451.db2.gz JPLNVIRSCJABSS-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C(Nc1cc(C2CCOCC2)[nH]n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272509734 274174509 /nfs/dbraw/zinc/17/45/09/274174509.db2.gz JULAQHRHNSGHMS-UHFFFAOYSA-N -1 0 332.316 2.170 20 5 EEBDRM COC(=O)CCCO[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000290775270 275238347 /nfs/dbraw/zinc/23/83/47/275238347.db2.gz WFRZJDGKWMRDHB-UHFFFAOYSA-N -1 0 342.323 2.013 20 5 EEBDRM CC(C)(C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1)C(N)=O ZINC000295692320 293791004 /nfs/dbraw/zinc/79/10/04/293791004.db2.gz QLUSKMXMLHWXID-NSHDSACASA-N -1 0 349.387 2.054 20 5 EEBDRM CCOc1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)on1 ZINC000298100651 294420636 /nfs/dbraw/zinc/42/06/36/294420636.db2.gz NVQXJZXMULFKKU-UHFFFAOYSA-N -1 0 349.299 2.395 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCN(CC(F)(F)F)CC1 ZINC000130398978 304552227 /nfs/dbraw/zinc/55/22/27/304552227.db2.gz BTGUHMNORKMYED-UHFFFAOYSA-N -1 0 347.293 2.011 20 5 EEBDRM Nc1c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000237877074 303491517 /nfs/dbraw/zinc/49/15/17/303491517.db2.gz JNVSBOZHSNSWIC-GAFUQQFSSA-N -1 0 333.344 2.035 20 5 EEBDRM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182157608 303917131 /nfs/dbraw/zinc/91/71/31/303917131.db2.gz OJVTVAKVEJGVQV-GLQYFDAESA-N -1 0 332.356 2.378 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ncccc1OC(F)F ZINC000171772736 311410678 /nfs/dbraw/zinc/41/06/78/311410678.db2.gz KIHZBKFBYBAIBT-UHFFFAOYSA-N -1 0 345.283 2.392 20 5 EEBDRM O=C([O-])CC1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000325767779 311602734 /nfs/dbraw/zinc/60/27/34/311602734.db2.gz SYZHEPBPTRCNJD-UHFFFAOYSA-N -1 0 336.344 2.267 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000332292451 311984488 /nfs/dbraw/zinc/98/44/88/311984488.db2.gz JMKQNVWIVHPKKB-IAQYHMDHSA-N -1 0 330.344 2.220 20 5 EEBDRM CCC(=O)c1ccc([O-])c(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000436651508 314984961 /nfs/dbraw/zinc/98/49/61/314984961.db2.gz FVOHMQWGDKXPSY-UHFFFAOYSA-N -1 0 346.343 2.427 20 5 EEBDRM Cn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2c1=O ZINC000436731909 314993452 /nfs/dbraw/zinc/99/34/52/314993452.db2.gz RHXRBZWZAQGZSG-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(CCO)Cc1cccc(F)c1 ZINC000436806760 315000079 /nfs/dbraw/zinc/00/00/79/315000079.db2.gz JHJGFBJUTWJDCU-UHFFFAOYSA-N -1 0 334.303 2.074 20 5 EEBDRM COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1O ZINC000436865546 315007203 /nfs/dbraw/zinc/00/72/03/315007203.db2.gz SKUISZCIGKVXRX-UHFFFAOYSA-N -1 0 332.312 2.287 20 5 EEBDRM NC(=O)CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436870426 315007818 /nfs/dbraw/zinc/00/78/18/315007818.db2.gz NFOLGFRMKKMXRF-UHFFFAOYSA-N -1 0 347.352 2.130 20 5 EEBDRM COC(=O)c1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436958285 315016377 /nfs/dbraw/zinc/01/63/77/315016377.db2.gz GCFIOLLFFIBVGE-UHFFFAOYSA-N -1 0 344.323 2.060 20 5 EEBDRM O=C(NCc1cc(F)cc2c1OCOC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966658 315017142 /nfs/dbraw/zinc/01/71/42/315017142.db2.gz OLZNTYNYOCKRCV-UHFFFAOYSA-N -1 0 348.286 2.236 20 5 EEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)CCC1CCC1 ZINC000493018418 315855139 /nfs/dbraw/zinc/85/51/39/315855139.db2.gz CSNKXSCFIPAFDG-TWGQIWQCSA-N -1 0 338.385 2.244 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCCCC1 ZINC000547801336 318324212 /nfs/dbraw/zinc/32/42/12/318324212.db2.gz MOKLAIGTGVUTAV-AWEZNQCLSA-N -1 0 336.344 2.152 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(-n3cccn3)c2)[nH]1 ZINC000554389827 318553183 /nfs/dbraw/zinc/55/31/83/318553183.db2.gz LHOPFOKKCVBUBM-WAYWQWQTSA-N -1 0 325.284 2.152 20 5 EEBDRM C[C@H](CC(=O)[O-])N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000566504830 319296002 /nfs/dbraw/zinc/29/60/02/319296002.db2.gz AWXNSTPIJHVIQX-ZJUUUORDSA-N -1 0 326.374 2.397 20 5 EEBDRM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000571287130 319741947 /nfs/dbraw/zinc/74/19/47/319741947.db2.gz CQPZKXOKJYSSHV-DYZFCQSDSA-N -1 0 332.356 2.461 20 5 EEBDRM C[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000573569280 319947029 /nfs/dbraw/zinc/94/70/29/319947029.db2.gz PQZDZNAYJQBULT-ONGXEEELSA-N -1 0 342.373 2.150 20 5 EEBDRM O=C([O-])c1cnc(N2CCC(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000574992081 320077653 /nfs/dbraw/zinc/07/76/53/320077653.db2.gz VXTZYIBHNJEWCI-UHFFFAOYSA-N -1 0 328.328 2.467 20 5 EEBDRM C/C=C\C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000578345927 320309250 /nfs/dbraw/zinc/30/92/50/320309250.db2.gz YULWADCJDHBZIR-ZRMMWKCHSA-N -1 0 347.371 2.344 20 5 EEBDRM CC(C)(C)Oc1cc(N2CCO[C@H](CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000578656299 323677925 /nfs/dbraw/zinc/67/79/25/323677925.db2.gz PPEDRJIOVVMCPJ-GFCCVEGCSA-N -1 0 338.360 2.452 20 5 EEBDRM O=C([O-])CCCCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000336850055 465051384 /nfs/dbraw/zinc/05/13/84/465051384.db2.gz MCPXTCNYJPJVLW-UHFFFAOYSA-N -1 0 326.374 2.448 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccsc1 ZINC000358397222 465099168 /nfs/dbraw/zinc/09/91/68/465099168.db2.gz WNXOTLHRVKASLH-GFCCVEGCSA-N -1 0 336.325 2.006 20 5 EEBDRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005173636 462647828 /nfs/dbraw/zinc/64/78/28/462647828.db2.gz WVFDBLWKZFBYOJ-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000047521689 462794202 /nfs/dbraw/zinc/79/42/02/462794202.db2.gz FLKCMMRLJJKSHT-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000017858511 463003101 /nfs/dbraw/zinc/00/31/01/463003101.db2.gz PFKDHDQQDNJUKC-UHFFFAOYSA-N -1 0 343.339 2.286 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)ccc1[N+](=O)[O-] ZINC000121368011 463124713 /nfs/dbraw/zinc/12/47/13/463124713.db2.gz PIOWXMRBDABYCC-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cn1 ZINC000157549861 463143269 /nfs/dbraw/zinc/14/32/69/463143269.db2.gz GXTMDOFDFZUFBX-UHFFFAOYSA-N -1 0 328.325 2.312 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000057119631 463453778 /nfs/dbraw/zinc/45/37/78/463453778.db2.gz QHKUFOXSPMGTFA-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM CN(CC(=O)Nc1ccccc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164189658 463616675 /nfs/dbraw/zinc/61/66/75/463616675.db2.gz GWQNGIUZZQSFQB-UHFFFAOYSA-N -1 0 329.312 2.011 20 5 EEBDRM O=[N+]([O-])c1c([N-]c2cnn(C[C@@H]3CCCO3)c2)nc2sccn21 ZINC000043272491 463631755 /nfs/dbraw/zinc/63/17/55/463631755.db2.gz JGEZOCONDRERGX-JTQLQIEISA-N -1 0 334.361 2.423 20 5 EEBDRM CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269219828 463915278 /nfs/dbraw/zinc/91/52/78/463915278.db2.gz ZPXWAEXXXWZZGH-LBPRGKRZSA-N -1 0 349.387 2.069 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262036860 463931908 /nfs/dbraw/zinc/93/19/08/463931908.db2.gz BYLYQKSWEHKZLK-UHFFFAOYSA-N -1 0 334.332 2.234 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000262147198 463957339 /nfs/dbraw/zinc/95/73/39/463957339.db2.gz LBXHZBPETBYPNV-MEBBXXQBSA-N -1 0 338.385 2.399 20 5 EEBDRM O=C([O-])CN(CCc1ccccc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178935805 464019524 /nfs/dbraw/zinc/01/95/24/464019524.db2.gz DXSLEKBRSVSJKV-UHFFFAOYSA-N -1 0 342.351 2.293 20 5 EEBDRM CCc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262409965 464020662 /nfs/dbraw/zinc/02/06/62/464020662.db2.gz IWHIZXINMHGPHM-CYBMUJFWSA-N -1 0 332.356 2.484 20 5 EEBDRM Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000279046478 464028511 /nfs/dbraw/zinc/02/85/11/464028511.db2.gz DCMAWDKQQAMYPB-ZDUSSCGKSA-N -1 0 332.316 2.138 20 5 EEBDRM C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000179387268 464125161 /nfs/dbraw/zinc/12/51/61/464125161.db2.gz UAXBIVQGWCCQAE-OAHLLOKOSA-N -1 0 329.356 2.333 20 5 EEBDRM COc1ccccc1CCN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000579715036 468401055 /nfs/dbraw/zinc/40/10/55/468401055.db2.gz LIIUGUMGMZZQMW-UHFFFAOYSA-N -1 0 331.328 2.376 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000237403932 464315150 /nfs/dbraw/zinc/31/51/50/464315150.db2.gz IIPGHQGVDYDELV-ZETCQYMHSA-N -1 0 334.250 2.406 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2noc(C3CC3)n2)c(Cl)c1 ZINC000180784209 464394657 /nfs/dbraw/zinc/39/46/57/464394657.db2.gz HULQEKJNRFHZTJ-UHFFFAOYSA-N -1 0 344.736 2.309 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000176974472 464897147 /nfs/dbraw/zinc/89/71/47/464897147.db2.gz ZFWGLCGXQYOPCR-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000353592863 465999915 /nfs/dbraw/zinc/99/99/15/465999915.db2.gz SROVEXXBLFQWSR-UHFFFAOYSA-N -1 0 349.368 2.032 20 5 EEBDRM C[C@H](Cc1cccs1)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000316797818 466575705 /nfs/dbraw/zinc/57/57/05/466575705.db2.gz GVFKZCGIQFUARS-SECBINFHSA-N -1 0 342.398 2.271 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000319072471 466593148 /nfs/dbraw/zinc/59/31/48/466593148.db2.gz ALEMFDXKDVGQGI-VIFPVBQESA-N -1 0 325.321 2.168 20 5 EEBDRM O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000365927995 466992200 /nfs/dbraw/zinc/99/22/00/466992200.db2.gz MUCDRDDLNOQKHW-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM CCOC(=O)c1ccnc(NC[C@@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000424375366 467034977 /nfs/dbraw/zinc/03/49/77/467034977.db2.gz MYDJBZSDMAZXCH-SNVBAGLBSA-N -1 0 339.348 2.325 20 5 EEBDRM CNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1C ZINC000436750671 467553234 /nfs/dbraw/zinc/55/32/34/467553234.db2.gz OSBZWASEBGJMFU-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM COc1cccc2c1CCN(c1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000516653790 468040342 /nfs/dbraw/zinc/04/03/42/468040342.db2.gz VTIKAIPMANCYCO-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM CN(CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000496247436 468122217 /nfs/dbraw/zinc/12/22/17/468122217.db2.gz OZQUWSPXUYCNNH-UHFFFAOYSA-N -1 0 340.332 2.211 20 5 EEBDRM C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000518775483 468126197 /nfs/dbraw/zinc/12/61/97/468126197.db2.gz PVNTVNXDZQCEMH-OAHLLOKOSA-N -1 0 339.779 2.122 20 5 EEBDRM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000532647063 468128859 /nfs/dbraw/zinc/12/88/59/468128859.db2.gz HREDCTJTZSFXOM-UHFFFAOYSA-N -1 0 344.323 2.344 20 5 EEBDRM CCOC(=O)N[C@@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000496265939 468129642 /nfs/dbraw/zinc/12/96/42/468129642.db2.gz PVRNADNSPKUUBF-CYBMUJFWSA-N -1 0 340.332 2.114 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCN1CC(F)(F)F ZINC000582362527 468529535 /nfs/dbraw/zinc/52/95/35/468529535.db2.gz KXWOADCQTWDTJJ-VIFPVBQESA-N -1 0 347.293 2.366 20 5 EEBDRM Cc1n[nH]cc1C1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000582609906 468567603 /nfs/dbraw/zinc/56/76/03/468567603.db2.gz PGJCNPZVVCPYQZ-UHFFFAOYSA-N -1 0 331.332 2.104 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC000594459574 468595857 /nfs/dbraw/zinc/59/58/57/468595857.db2.gz CKHBYZUZGUOFQT-LBPRGKRZSA-N -1 0 331.328 2.230 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000592207789 468654978 /nfs/dbraw/zinc/65/49/78/468654978.db2.gz ZWZNUTDXSIZTRM-UHFFFAOYSA-N -1 0 335.360 2.034 20 5 EEBDRM CC(C)c1cc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)on1 ZINC000600875754 468673168 /nfs/dbraw/zinc/67/31/68/468673168.db2.gz MSDBUHOJTHNPRI-MRXNPFEDSA-N -1 0 347.327 2.436 20 5 EEBDRM O=C(N[C@@H]1CCCCC[C@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592800105 468789322 /nfs/dbraw/zinc/78/93/22/468789322.db2.gz SPJTYBOPTBIGCO-ZYHUDNBSSA-N -1 0 328.752 2.377 20 5 EEBDRM C[C@](CCF)(NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000595247585 468792662 /nfs/dbraw/zinc/79/26/62/468792662.db2.gz CIQSTBZCAPEWIW-OAHLLOKOSA-N -1 0 341.339 2.106 20 5 EEBDRM CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)[O-] ZINC000595282897 468799280 /nfs/dbraw/zinc/79/92/80/468799280.db2.gz RWCCKTVREJLCNN-UWVGGRQHSA-N -1 0 326.374 2.397 20 5 EEBDRM CCc1nn(C)c(NCCc2ccc(OCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000592981067 468833469 /nfs/dbraw/zinc/83/34/69/468833469.db2.gz FTDBTHPNZVECPM-UHFFFAOYSA-N -1 0 348.359 2.009 20 5 EEBDRM CNC(=O)CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000598384550 468849534 /nfs/dbraw/zinc/84/95/34/468849534.db2.gz CCXJIDLKVISOOU-UHFFFAOYSA-N -1 0 349.387 2.117 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCc2cncn2C1 ZINC000561308330 468886175 /nfs/dbraw/zinc/88/61/75/468886175.db2.gz OFXDMQRDKKQCHW-QMMMGPOBSA-N -1 0 336.735 2.351 20 5 EEBDRM O=C([O-])c1ccnc(N2CCN(Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000572124134 468888796 /nfs/dbraw/zinc/88/87/96/468888796.db2.gz JFTPLSFZKRQYQR-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000610844761 469087152 /nfs/dbraw/zinc/08/71/52/469087152.db2.gz VBSIUKFRGVRZOS-SNVBAGLBSA-N -1 0 338.385 2.399 20 5 EEBDRM COc1ccc(CC(=O)NCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000610891497 469106444 /nfs/dbraw/zinc/10/64/44/469106444.db2.gz ZTOAQQZYZABWKH-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000595988700 469107316 /nfs/dbraw/zinc/10/73/16/469107316.db2.gz INCRRYZKQKWWHL-CQSZACIVSA-N -1 0 336.344 2.111 20 5 EEBDRM O=C([O-])C1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC=CC1 ZINC000595990950 469108942 /nfs/dbraw/zinc/10/89/42/469108942.db2.gz ZAYFOHHFTRYIJX-UHFFFAOYSA-N -1 0 332.356 2.455 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCOCC1 ZINC000596000804 469111427 /nfs/dbraw/zinc/11/14/27/469111427.db2.gz MPTSQXSAKVEJDR-UHFFFAOYSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000593741640 469118813 /nfs/dbraw/zinc/11/88/13/469118813.db2.gz DMJHUVYLCDTXOJ-KRWDZBQOSA-N -1 0 342.351 2.485 20 5 EEBDRM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000618249810 469939849 /nfs/dbraw/zinc/93/98/49/469939849.db2.gz FNXLLMUAHXNACB-LBPRGKRZSA-N -1 0 328.324 2.293 20 5 EEBDRM CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000186050565 526566873 /nfs/dbraw/zinc/56/68/73/526566873.db2.gz IOEFIOLMHIAYGO-SECBINFHSA-N -1 0 341.751 2.151 20 5 EEBDRM CC(C)(C)C(=O)NCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181535825 527587616 /nfs/dbraw/zinc/58/76/16/527587616.db2.gz HMJNUCOPUWAGER-UHFFFAOYSA-N -1 0 343.767 2.445 20 5 EEBDRM CCN(CCc1nccs1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000191628970 528604331 /nfs/dbraw/zinc/60/43/31/528604331.db2.gz QWBQTZABVPGCOW-UHFFFAOYSA-N -1 0 349.368 2.454 20 5 EEBDRM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ncccc1[O-] ZINC000729528813 576663838 /nfs/dbraw/zinc/66/38/38/576663838.db2.gz DYSHFFINOHWUMZ-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CSC[C@H](CCO)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000738188037 576719667 /nfs/dbraw/zinc/71/96/67/576719667.db2.gz VMGWNCZVAOEFHQ-MZBZXASESA-N -1 0 326.374 2.219 20 5 EEBDRM O=C([O-])CCSCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000739746092 576746190 /nfs/dbraw/zinc/74/61/90/576746190.db2.gz ZPUYKASUOYZHTH-UHFFFAOYSA-N -1 0 332.765 2.186 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cs1 ZINC000768864251 577564437 /nfs/dbraw/zinc/56/44/37/577564437.db2.gz NQXWZMYVLOPBRR-UHFFFAOYSA-N -1 0 328.327 2.186 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(N(C)C)n1 ZINC000768864108 577564460 /nfs/dbraw/zinc/56/44/60/577564460.db2.gz MJADKGCKZZZQKC-UHFFFAOYSA-N -1 0 342.402 2.227 20 5 EEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000759168984 577638373 /nfs/dbraw/zinc/63/83/73/577638373.db2.gz JHHWFRKRZUQBIU-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM COCCC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751974641 577763569 /nfs/dbraw/zinc/76/35/69/577763569.db2.gz WUNSSRCEDYOPMG-UHFFFAOYSA-N -1 0 336.797 2.342 20 5 EEBDRM CCCc1[nH]nc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000753701675 577791971 /nfs/dbraw/zinc/79/19/71/577791971.db2.gz BSRKVTDYHPJXLC-UHFFFAOYSA-N -1 0 335.276 2.137 20 5 EEBDRM C/C(=C/C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000744001847 577891976 /nfs/dbraw/zinc/89/19/76/577891976.db2.gz OLUJKZLUYJOUQT-KTKRTIGZSA-N -1 0 326.374 2.392 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCCc2ccc(O)cc2)cc([N+](=O)[O-])c1 ZINC000738672117 578023418 /nfs/dbraw/zinc/02/34/18/578023418.db2.gz DIROPWHHDSVAEX-UHFFFAOYSA-N -1 0 344.323 2.361 20 5 EEBDRM O=C([O-])c1ccnc(NCCn2cnc3ccccc32)c1[N+](=O)[O-] ZINC000738694201 578023977 /nfs/dbraw/zinc/02/39/77/578023977.db2.gz VYOATWJVNSXHRK-UHFFFAOYSA-N -1 0 327.300 2.150 20 5 EEBDRM CCC/C=C/C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000735203553 578139842 /nfs/dbraw/zinc/13/98/42/578139842.db2.gz SETQKCKJWFEKNQ-SNAWJCMRSA-N -1 0 332.765 2.409 20 5 EEBDRM CC[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000094188814 597391058 /nfs/dbraw/zinc/39/10/58/597391058.db2.gz LRHKMXJNBNTSJB-MRVPVSSYSA-N -1 0 346.137 2.342 20 5 EEBDRM O=C([O-])C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263200420 600653202 /nfs/dbraw/zinc/65/32/02/600653202.db2.gz HKJXFTOMXYBWHS-UHFFFAOYSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([O-])c1ccc(OCCn2cccc([N+](=O)[O-])c2=O)c(Cl)c1 ZINC000833322327 600839064 /nfs/dbraw/zinc/83/90/64/600839064.db2.gz KMLAUEVRBYYLOH-UHFFFAOYSA-N -1 0 338.703 2.187 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000833125142 600918707 /nfs/dbraw/zinc/91/87/07/600918707.db2.gz HNFPJROUYJDYNT-LBPRGKRZSA-N -1 0 335.703 2.199 20 5 EEBDRM CCCCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000829340854 601404943 /nfs/dbraw/zinc/40/49/43/601404943.db2.gz UTNVRXJUQULGTF-LBPRGKRZSA-N -1 0 344.389 2.215 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000829834704 601480112 /nfs/dbraw/zinc/48/01/12/601480112.db2.gz PNIKXLPNIRHEPT-CQSZACIVSA-N -1 0 344.389 2.079 20 5 EEBDRM C[C@H](CO[C@H]1CCOC1)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827517154 601562281 /nfs/dbraw/zinc/56/22/81/601562281.db2.gz FXMIGTBCECXOLY-CLZWFORCSA-N -1 0 336.344 2.299 20 5 EEBDRM C[C@@H](CC(=O)[O-])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000827255790 602175974 /nfs/dbraw/zinc/17/59/74/602175974.db2.gz FYYFQILIMRODLB-NSHDSACASA-N -1 0 336.344 2.075 20 5 EEBDRM Nc1c(C(=O)OCc2ccc(F)cc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000833090644 602267863 /nfs/dbraw/zinc/26/78/63/602267863.db2.gz RMDVUCXBIVBDSI-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM O=C([O-])CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000833244680 602399187 /nfs/dbraw/zinc/39/91/87/602399187.db2.gz GNIXWDHXLGPMOJ-UHFFFAOYSA-N -1 0 336.344 2.220 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])n1 ZINC000832957859 604267952 /nfs/dbraw/zinc/26/79/52/604267952.db2.gz OJASWKCBNNUFRT-GFCCVEGCSA-N -1 0 331.328 2.359 20 5 EEBDRM O=C([O-])c1cc(C(=O)O[C@@H]2Cc3ccccc3C2=O)cc([N+](=O)[O-])c1 ZINC000833297873 604424993 /nfs/dbraw/zinc/42/49/93/604424993.db2.gz KYHMWSHBVSHXRM-CQSZACIVSA-N -1 0 341.275 2.257 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000832957380 604595464 /nfs/dbraw/zinc/59/54/64/604595464.db2.gz BXJAVCNHVNOFDZ-LBPRGKRZSA-N -1 0 336.344 2.138 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC000827097108 604919841 /nfs/dbraw/zinc/91/98/41/604919841.db2.gz CBDBWFQECZIUFK-NSHDSACASA-N -1 0 346.343 2.040 20 5 EEBDRM Cc1cc(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC000833744552 605418185 /nfs/dbraw/zinc/41/81/85/605418185.db2.gz IBIQMYLCNWDICK-UHFFFAOYSA-N -1 0 345.267 2.059 20 5 EEBDRM O=C([O-])Cc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000833775241 605422073 /nfs/dbraw/zinc/42/20/73/605422073.db2.gz DTOQDWUUJNJFDN-UHFFFAOYSA-N -1 0 344.279 2.203 20 5 EEBDRM CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000176078822 676851593 /nfs/dbraw/zinc/85/15/93/676851593.db2.gz NVQHGAXAJDIQQW-UHFFFAOYSA-N -1 0 326.374 2.121 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cncc(Cl)n1 ZINC000185922232 685372331 /nfs/dbraw/zinc/37/23/31/685372331.db2.gz GQNPTYMIRZUQBE-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cn1 ZINC000126180943 681299105 /nfs/dbraw/zinc/29/91/05/681299105.db2.gz YJNHOEATGWRUMZ-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM O=C(NC[C@H](O)c1ccccc1Cl)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119217026 683533780 /nfs/dbraw/zinc/53/37/80/683533780.db2.gz GNTXAMBPEJRGGL-AWEZNQCLSA-N -1 0 336.731 2.417 20 5 EEBDRM O=C([O-])c1ccccc1OS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000914575890 683901963 /nfs/dbraw/zinc/90/19/63/683901963.db2.gz NVTFJHFCSINVBN-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000812317484 1200637978 /nfs/dbraw/zinc/63/79/78/1200637978.db2.gz IALXRWZJZBQZEQ-UHFFFAOYSA-N -1 0 329.284 2.150 20 5 EEBDRM O=C(NC[C@@H](O)c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779672489 1210747963 /nfs/dbraw/zinc/74/79/63/1210747963.db2.gz GGHYYOFDPUCLQA-CQSZACIVSA-N -1 0 336.731 2.417 20 5 EEBDRM O=C(NC[C@@H](O)c1c(F)cccc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119223159 1229471442 /nfs/dbraw/zinc/47/14/42/1229471442.db2.gz LMTQVYZKYCNHDK-CYBMUJFWSA-N -1 0 338.266 2.042 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000802868048 1238482741 /nfs/dbraw/zinc/48/27/41/1238482741.db2.gz ZHRUXPGOQKHMBF-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)=C1CCCC1 ZINC000815896787 1278293725 /nfs/dbraw/zinc/29/37/25/1278293725.db2.gz SQFZXGHCRHLHBU-UHFFFAOYSA-N -1 0 342.348 2.338 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000850151375 1277065102 /nfs/dbraw/zinc/06/51/02/1277065102.db2.gz UIVVOESEJJAAEI-MELADBBJSA-N -1 0 348.355 2.039 20 5 EEBDRM C[C@@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885550 1277380268 /nfs/dbraw/zinc/38/02/68/1277380268.db2.gz HRUXNNCYBWRJLL-ZJUUUORDSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850887990 1277381764 /nfs/dbraw/zinc/38/17/64/1277381764.db2.gz FKVSNYWKSUKVCK-NXEZZACHSA-N -1 0 344.364 2.365 20 5 EEBDRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC001214172169 1296331332 /nfs/dbraw/zinc/33/13/32/1296331332.db2.gz XADQWTBXLMZWHN-UHFFFAOYSA-N -1 0 349.368 2.472 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2cccs2)c1[N+](=O)[O-] ZINC001226017926 1301234738 /nfs/dbraw/zinc/23/47/38/1301234738.db2.gz ITZWCQSMXCYCEK-ZETCQYMHSA-N -1 0 339.329 2.469 20 5 EEBDRM O=c1[n-]c(C2CC2)nc(O[C@H]2CCCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001228609802 1302336449 /nfs/dbraw/zinc/33/64/49/1302336449.db2.gz IZVZGENYEQYHTF-JTQLQIEISA-N -1 0 337.332 2.032 20 5 EEBDRM CCOC(=O)[C@@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001229376712 1302753093 /nfs/dbraw/zinc/75/30/93/1302753093.db2.gz XNJULJGFFUVVSG-LBPRGKRZSA-N -1 0 333.300 2.082 20 5 EEBDRM O=[N+]([O-])c1ccc(O)c(O[C@@H]2CCN(c3ccnc(Cl)n3)C2)c1 ZINC001229395355 1302761940 /nfs/dbraw/zinc/76/19/40/1302761940.db2.gz HIHWFZWFVLYBFM-SNVBAGLBSA-N -1 0 336.735 2.402 20 5 EEBDRM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC=CCC1 ZINC000835231862 1314905905 /nfs/dbraw/zinc/90/59/05/1314905905.db2.gz NAKRSDXYTCCCIW-AWEZNQCLSA-N -1 0 342.348 2.285 20 5 EEBDRM CC(C)[C@H](CO)O[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000836899891 1315040509 /nfs/dbraw/zinc/04/05/09/1315040509.db2.gz FDHRUQPFMMVWIQ-GWCFXTLKSA-N -1 0 328.390 2.140 20 5 EEBDRM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001261439868 1322103937 /nfs/dbraw/zinc/10/39/37/1322103937.db2.gz YDHWJVGLZMLHIF-MFKMUULPSA-N -1 0 326.374 2.226 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)no1 ZINC001608527893 1351710523 /nfs/dbraw/zinc/71/05/23/1351710523.db2.gz XDWMQEJCROHABO-UHFFFAOYSA-N -1 0 328.240 2.082 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001601213450 1350232753 /nfs/dbraw/zinc/23/27/53/1350232753.db2.gz DUTBQCFFCCGNBL-AWEZNQCLSA-N -1 0 348.286 2.169 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)C[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC001601257497 1350243500 /nfs/dbraw/zinc/24/35/00/1350243500.db2.gz WOUZYKPZHUXWOU-VIFPVBQESA-N -1 0 343.382 2.437 20 5 EEBDRM O=C([O-])c1ccnc(NCCC(=O)OCc2ccccc2)c1[N+](=O)[O-] ZINC001601280374 1350247986 /nfs/dbraw/zinc/24/79/86/1350247986.db2.gz LSZAVKUROITLSB-UHFFFAOYSA-N -1 0 345.311 2.233 20 5 EEBDRM O=C([O-])[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001608543165 1351713042 /nfs/dbraw/zinc/71/30/42/1351713042.db2.gz KSMZMJOSUVMZMV-DGCLKSJQSA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])CCCNC(=S)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001608714848 1351747882 /nfs/dbraw/zinc/74/78/82/1351747882.db2.gz CIAVAVKEWIIGBW-UHFFFAOYSA-N -1 0 345.808 2.120 20 5 EEBDRM O=C([O-])c1ccccc1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC001608945895 1351800484 /nfs/dbraw/zinc/80/04/84/1351800484.db2.gz VXIYDHNYCAYTPQ-UHFFFAOYSA-N -1 0 340.291 2.132 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc(Cl)cs1 ZINC001321930171 1333181603 /nfs/dbraw/zinc/18/16/03/1333181603.db2.gz QBEXJFDOMZQAAR-UHFFFAOYSA-N -1 0 346.773 2.428 20 5 EEBDRM C[C@](NC(=O)c1cc([N+](=O)[O-])ccc1N)(C(=O)[O-])c1ccc(F)cc1 ZINC001609770432 1352081155 /nfs/dbraw/zinc/08/11/55/1352081155.db2.gz XOYKMWZAVBXXBY-MRXNPFEDSA-N -1 0 347.302 2.046 20 5 EEBDRM Cc1cc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(C)o1 ZINC001339495163 1337014663 /nfs/dbraw/zinc/01/46/63/1337014663.db2.gz AETQMEOROZEBNC-VIFPVBQESA-N -1 0 325.346 2.239 20 5 EEBDRM Cc1c(NC(=O)N2CCSCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610426572 1352221054 /nfs/dbraw/zinc/22/10/54/1352221054.db2.gz VPKKHFBNUFXEMV-UHFFFAOYSA-N -1 0 325.346 2.182 20 5 EEBDRM Cc1c(NC(=O)C[C@H](C)c2cnn(C)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610419533 1352219506 /nfs/dbraw/zinc/21/95/06/1352219506.db2.gz MPQGCIZTJSOUKE-VIFPVBQESA-N -1 0 346.343 2.467 20 5 EEBDRM Cc1ccc(C[C@H](Sc2ncc([N+](=O)[O-])c(N)n2)C(=O)[O-])cc1 ZINC001610499742 1352233777 /nfs/dbraw/zinc/23/37/77/1352233777.db2.gz NFPKXTPQHPISEE-NSHDSACASA-N -1 0 334.357 2.063 20 5 EEBDRM O=C([O-])Cc1csc(NC(=O)NCc2cccc([N+](=O)[O-])c2)n1 ZINC001610797996 1352276471 /nfs/dbraw/zinc/27/64/71/1352276471.db2.gz YJBYGMBRMBGJRF-UHFFFAOYSA-N -1 0 336.329 2.000 20 5 EEBDRM O=C([O-])c1cc(C(=O)NN2CCCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001610810089 1352278528 /nfs/dbraw/zinc/27/85/28/1352278528.db2.gz MULZTPKVPBQQNF-UHFFFAOYSA-N -1 0 341.323 2.391 20 5 EEBDRM O=C([O-])c1cccc(OCCOC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001610849321 1352285175 /nfs/dbraw/zinc/28/51/75/1352285175.db2.gz ISRMQELYXARQOS-UHFFFAOYSA-N -1 0 347.279 2.234 20 5 EEBDRM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)o1 ZINC001593294450 1349769113 /nfs/dbraw/zinc/76/91/13/1349769113.db2.gz PWSBRDUTTMFGIE-UHFFFAOYSA-N -1 0 349.690 2.378 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001594218101 1349875088 /nfs/dbraw/zinc/87/50/88/1349875088.db2.gz QWWLONFDGGJJDO-SVGQVSJJSA-N -1 0 345.714 2.047 20 5 EEBDRM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1Cc1ccc([N+](=O)[O-])cc1F ZINC001594339893 1349875589 /nfs/dbraw/zinc/87/55/89/1349875589.db2.gz LIDOSGMASIGMEY-JUTUQKRISA-N -1 0 338.335 2.329 20 5 EEBDRM Cc1c(CC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cccc1[N+](=O)[O-] ZINC001600011887 1349955169 /nfs/dbraw/zinc/95/51/69/1349955169.db2.gz TYMXTZYHENQNRC-RQJABVFESA-N -1 0 332.356 2.061 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001600023744 1349957222 /nfs/dbraw/zinc/95/72/22/1349957222.db2.gz WPYPPZYKQQFRIG-UHFFFAOYSA-N -1 0 339.304 2.378 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2COCC2(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600040518 1349960173 /nfs/dbraw/zinc/96/01/73/1349960173.db2.gz KFUPYOXYNSVXKH-GFCCVEGCSA-N -1 0 337.332 2.148 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H](OC(F)F)C2)n1 ZINC001600105850 1349972323 /nfs/dbraw/zinc/97/23/23/1349972323.db2.gz XCCFXTMFTNFSDX-QMMMGPOBSA-N -1 0 331.275 2.204 20 5 EEBDRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001600118004 1349974170 /nfs/dbraw/zinc/97/41/70/1349974170.db2.gz AHFRCFOOTLZABQ-AWEZNQCLSA-N -1 0 330.296 2.274 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001600164059 1349983418 /nfs/dbraw/zinc/98/34/18/1349983418.db2.gz CFCMACCRAIBYMG-XQHKEYJVSA-N -1 0 332.356 2.359 20 5 EEBDRM Cc1cc(C)n(-c2ccc(Cn3cc([N+](=O)[O-])c(C(=O)[O-])n3)cc2)n1 ZINC001600177014 1349986107 /nfs/dbraw/zinc/98/61/07/1349986107.db2.gz BHOGXFIRXUNIPJ-UHFFFAOYSA-N -1 0 341.327 2.340 20 5 EEBDRM Cc1cc(N2CCC3(CC(C(=O)[O-])=NO3)CC2)c(F)cc1[N+](=O)[O-] ZINC001600240538 1349999653 /nfs/dbraw/zinc/99/96/53/1349999653.db2.gz WCSLFJQIQLKPRB-UHFFFAOYSA-N -1 0 337.307 2.242 20 5 EEBDRM Cc1ccc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1C(=O)[O-] ZINC001600427392 1350048805 /nfs/dbraw/zinc/04/88/05/1350048805.db2.gz PYWDSKIFKLYNQK-UHFFFAOYSA-N -1 0 339.307 2.360 20 5 EEBDRM Cc1oc(CO)cc1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600852869 1350152275 /nfs/dbraw/zinc/15/22/75/1350152275.db2.gz CODVKMKBDQMTEP-UHFFFAOYSA-N -1 0 335.268 2.044 20 5 EEBDRM NC(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)o1 ZINC001601164997 1350223328 /nfs/dbraw/zinc/22/33/28/1350223328.db2.gz DDKQDXUFMHWMIE-UHFFFAOYSA-N -1 0 339.691 2.250 20 5 EEBDRM O=C([O-])c1cc(NC(=O)C[C@H](O)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC001601246475 1350240715 /nfs/dbraw/zinc/24/07/15/1350240715.db2.gz VRFZDDWDGDJYGB-OAHLLOKOSA-N -1 0 344.323 2.225 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001601330166 1350258574 /nfs/dbraw/zinc/25/85/74/1350258574.db2.gz OSAWIPXFQBBTJR-HNNXBMFYSA-N -1 0 330.296 2.376 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001601397561 1350274104 /nfs/dbraw/zinc/27/41/04/1350274104.db2.gz DHTCWTAALFWDTQ-HNNXBMFYSA-N -1 0 342.307 2.085 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)CC1CC1 ZINC001601456414 1350287583 /nfs/dbraw/zinc/28/75/83/1350287583.db2.gz JMIXBNHUHTUMQO-SNVBAGLBSA-N -1 0 331.328 2.307 20 5 EEBDRM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001601750553 1350355969 /nfs/dbraw/zinc/35/59/69/1350355969.db2.gz DRHLBJMQGKFOGS-ZBFHGGJFSA-N -1 0 346.339 2.265 20 5 EEBDRM O=C([O-])/C=C\c1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)o1 ZINC001601877200 1350387885 /nfs/dbraw/zinc/38/78/85/1350387885.db2.gz WGOUEQXNLSRPIU-ALCCZGGFSA-N -1 0 330.296 2.258 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC001601889831 1350391000 /nfs/dbraw/zinc/39/10/00/1350391000.db2.gz CISATYASHJSWQY-VIFPVBQESA-N -1 0 326.736 2.479 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC001601895001 1350391669 /nfs/dbraw/zinc/39/16/69/1350391669.db2.gz UEQWUYZEJRSFTF-JTQLQIEISA-N -1 0 326.736 2.479 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NC[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC001602074701 1350431372 /nfs/dbraw/zinc/43/13/72/1350431372.db2.gz JMSVKLTVDLDKAS-NSHDSACASA-N -1 0 333.344 2.177 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001602186524 1350460636 /nfs/dbraw/zinc/46/06/36/1350460636.db2.gz MNSMGVKNVKYFFL-VHSXEESVSA-N -1 0 340.282 2.056 20 5 EEBDRM O=C([O-])c1c(Cl)c(N[C@@H]2CC(=O)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC001602231745 1350471709 /nfs/dbraw/zinc/47/17/09/1350471709.db2.gz AHUCGBKTGBQPKO-SSDOTTSWSA-N -1 0 339.735 2.122 20 5 EEBDRM O=C([O-])c1c(Cl)c(-n2ccc(=O)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001602232518 1350471863 /nfs/dbraw/zinc/47/18/63/1350471863.db2.gz IRNIBFFAXFQWKG-UHFFFAOYSA-N -1 0 339.647 2.006 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])on1 ZINC001602249696 1350476269 /nfs/dbraw/zinc/47/62/69/1350476269.db2.gz XMYCIPPKJYZGAZ-UHFFFAOYSA-N -1 0 328.240 2.082 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(C[C@@H]2CCc3ccccc3C2)c1=O ZINC001602300767 1350488121 /nfs/dbraw/zinc/48/81/21/1350488121.db2.gz UXMXBDZUDZKYJI-LLVKDONJSA-N -1 0 328.324 2.260 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(C[C@H]2CC[C@@H](c3ccccc3)O2)c1=O ZINC001602300787 1350488195 /nfs/dbraw/zinc/48/81/95/1350488195.db2.gz VVOIEJIZYFIDNP-HIFRSBDPSA-N -1 0 344.323 2.375 20 5 EEBDRM O=C([O-])c1nn(CCOc2ccc([N+](=O)[O-])cc2)c2c1CCCC2 ZINC001602585705 1350551906 /nfs/dbraw/zinc/55/19/06/1350551906.db2.gz XEIADCJNVKWABW-UHFFFAOYSA-N -1 0 331.328 2.447 20 5 EEBDRM C/C(=C/C(=O)Nc1cnn(CC(=O)[O-])c1C)c1ccc([N+](=O)[O-])cc1 ZINC001602955268 1350610732 /nfs/dbraw/zinc/61/07/32/1350610732.db2.gz NUXGVTDIUSMHKT-YFHOEESVSA-N -1 0 344.327 2.226 20 5 EEBDRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC001603154999 1350651795 /nfs/dbraw/zinc/65/17/95/1350651795.db2.gz NEIUZVVHUMXASQ-NHYWBVRUSA-N -1 0 343.339 2.426 20 5 EEBDRM CC(C)NC(=O)c1ccc(N[C@H]2CC=C(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001603901376 1350798688 /nfs/dbraw/zinc/79/86/88/1350798688.db2.gz MYGSCAAMZNYLRN-LBPRGKRZSA-N -1 0 333.344 2.318 20 5 EEBDRM C[C@@H]1C[C@@H](C)CN(C(=O)COc2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001604655305 1350978234 /nfs/dbraw/zinc/97/82/34/1350978234.db2.gz QMMNNOZWYINABF-GHMZBOCLSA-N -1 0 336.344 2.176 20 5 EEBDRM CC[C@@](COC)(NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-] ZINC001605050092 1351067182 /nfs/dbraw/zinc/06/71/82/1351067182.db2.gz QTDWJENONHEGMV-AWEZNQCLSA-N -1 0 344.751 2.166 20 5 EEBDRM CC[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC001605174178 1351095177 /nfs/dbraw/zinc/09/51/77/1351095177.db2.gz PXWRNUSUDBGSOV-KBPBESRZSA-N -1 0 336.344 2.323 20 5 EEBDRM CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC001605300053 1351129737 /nfs/dbraw/zinc/12/97/37/1351129737.db2.gz QVYMKTDKROOTGS-SECBINFHSA-N -1 0 339.304 2.137 20 5 EEBDRM CSCC1(CCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001605377465 1351148093 /nfs/dbraw/zinc/14/80/93/1351148093.db2.gz PWSQYUPVQJELRG-UHFFFAOYSA-N -1 0 335.393 2.115 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])n1 ZINC001605925818 1351255273 /nfs/dbraw/zinc/25/52/73/1351255273.db2.gz JEABJRXYGQVQCY-MFKMUULPSA-N -1 0 346.343 2.003 20 5 EEBDRM CN(C[C@H]1CCCCO1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001606100895 1351270729 /nfs/dbraw/zinc/27/07/29/1351270729.db2.gz NFUCSDGJZLNCLA-SNVBAGLBSA-N -1 0 339.304 2.207 20 5 EEBDRM CO[C@@H]1CC[C@H]1N(C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001606737767 1351349479 /nfs/dbraw/zinc/34/94/79/1351349479.db2.gz ZBYVFMRSXSQGHS-DGCLKSJQSA-N -1 0 337.332 2.243 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN(CCC(F)(F)F)CC(=O)[O-] ZINC001607190994 1351446092 /nfs/dbraw/zinc/44/60/92/1351446092.db2.gz CVVPKYCRJINVKO-UHFFFAOYSA-N -1 0 336.266 2.442 20 5 EEBDRM Cc1c(Br)c(=O)n(CC2(CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001607555133 1351515213 /nfs/dbraw/zinc/51/52/13/1351515213.db2.gz MFCRDJBYTYLSHB-UHFFFAOYSA-N -1 0 345.149 2.082 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC001607826456 1351566397 /nfs/dbraw/zinc/56/63/97/1351566397.db2.gz OFPJOXXKEAGFDJ-YGRLFVJLSA-N -1 0 335.360 2.027 20 5 EEBDRM Cc1nc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1C(=O)[O-] ZINC001607959835 1351593222 /nfs/dbraw/zinc/59/32/22/1351593222.db2.gz FIKWJSHPRXVUJX-LLVKDONJSA-N -1 0 343.343 2.082 20 5 EEBDRM Nc1c(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001608267260 1351659462 /nfs/dbraw/zinc/65/94/62/1351659462.db2.gz FZHTZTNXCSSHDR-ZDUSSCGKSA-N -1 0 330.296 2.030 20 5 EEBDRM O=C([O-])C12CCC(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)(CC1)C2 ZINC001608345476 1351675211 /nfs/dbraw/zinc/67/52/11/1351675211.db2.gz FABFNKOFBQCVTK-UHFFFAOYSA-N -1 0 347.323 2.356 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C12CCC(CC1)C2 ZINC000784866138 1371453331 /nfs/dbraw/zinc/45/33/31/1371453331.db2.gz DKFWIQJIIXUKFN-UHFFFAOYSA-N -1 0 330.387 2.042 20 5 EEBDRM Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])nc2ccccc21 ZINC001116506306 1371727995 /nfs/dbraw/zinc/72/79/95/1371727995.db2.gz LYRMRJWMRIESGV-UHFFFAOYSA-N -1 0 340.339 2.160 20 5 EEBDRM C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)CCS1 ZINC001121391468 1371875014 /nfs/dbraw/zinc/87/50/14/1371875014.db2.gz GEFJDDKILFBVFT-SECBINFHSA-N -1 0 335.389 2.038 20 5 EEBDRM COC(=O)c1[nH]c(C)c(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000837584903 1372792616 /nfs/dbraw/zinc/79/26/16/1372792616.db2.gz BDZKQNFFVNBUTR-UHFFFAOYSA-N -1 0 348.311 2.389 20 5 EEBDRM CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1CC1 ZINC000839077962 1372891078 /nfs/dbraw/zinc/89/10/78/1372891078.db2.gz XKNCLTBVWKHKSH-UHFFFAOYSA-N -1 0 341.389 2.022 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001605701163 1404750215 /nfs/dbraw/zinc/75/02/15/1404750215.db2.gz ISMVUXPCTDAUJQ-SNVBAGLBSA-N -1 0 337.332 2.465 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000177091491 761361042 /nfs/dbraw/zinc/36/10/42/761361042.db2.gz FXUBLOTZTCUHBG-UHFFFAOYSA-N -1 0 348.315 2.478 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[C@]3(c3ccccc3)C2)n1 ZINC000906152813 783742085 /nfs/dbraw/zinc/74/20/85/783742085.db2.gz XMIOKEQDSDOENV-YVEFUNNKSA-N -1 0 325.324 2.466 20 5 EEBDRM C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000820517023 785951009 /nfs/dbraw/zinc/95/10/09/785951009.db2.gz ZULDZZLXCZYCAS-NXEZZACHSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000175162497 787475445 /nfs/dbraw/zinc/47/54/45/787475445.db2.gz ANOIJKYGIAOQOL-UHFFFAOYSA-N -1 0 338.341 2.232 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000844207971 788926623 /nfs/dbraw/zinc/92/66/23/788926623.db2.gz PSAUVRQPQYPWKC-LBPRGKRZSA-N -1 0 330.344 2.329 20 5 EEBDRM CN(C[C@H](O)Cc1ccccc1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844210218 788930070 /nfs/dbraw/zinc/93/00/70/788930070.db2.gz RWRATODEYBFMQR-OAHLLOKOSA-N -1 0 344.367 2.262 20 5 EEBDRM O=C([O-])c1ccnc(N[C@@H]2CC[C@H]3SCCS[C@H]23)c1[N+](=O)[O-] ZINC000844214358 788933273 /nfs/dbraw/zinc/93/32/73/788933273.db2.gz FYXJPJBKYIHNSJ-FXPVBKGRSA-N -1 0 341.414 2.480 20 5 EEBDRM Cc1ccc(N2CCC(n3cnc(C(=O)[O-])c3N)CC2)c([N+](=O)[O-])c1 ZINC000844216849 788935564 /nfs/dbraw/zinc/93/55/64/788935564.db2.gz ALEWCVNGQSDXGL-UHFFFAOYSA-N -1 0 345.359 2.222 20 5 EEBDRM O=C([O-])[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923222423 789157980 /nfs/dbraw/zinc/15/79/80/789157980.db2.gz KPKFSHUOJWMPBS-LLVKDONJSA-N -1 0 329.150 2.406 20 5 EEBDRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000844647222 789291913 /nfs/dbraw/zinc/29/19/13/789291913.db2.gz WZLPGTMAKRBDNY-ZDUSSCGKSA-N -1 0 344.389 2.377 20 5 EEBDRM O=C(CC1CCC1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000173874398 791917345 /nfs/dbraw/zinc/91/73/45/791917345.db2.gz TWHGCCWFVXCGNE-UHFFFAOYSA-N -1 0 332.765 2.243 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc3nn(CCO)cc3c2)cc1[N+](=O)[O-] ZINC001174504427 797784900 /nfs/dbraw/zinc/78/49/00/797784900.db2.gz DUQKVUZQOLHVSQ-UHFFFAOYSA-N -1 0 342.311 2.379 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000916748433 797880213 /nfs/dbraw/zinc/88/02/13/797880213.db2.gz IBTAWHGZHLUDMO-UHFFFAOYSA-N -1 0 345.336 2.195 20 5 EEBDRM CCOC(=O)c1cc(C)n(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1N ZINC001176673951 798523503 /nfs/dbraw/zinc/52/35/03/798523503.db2.gz DFMVJMXPUKBJSU-UHFFFAOYSA-N -1 0 333.300 2.151 20 5 EEBDRM COc1ccc(C(N)=O)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176681266 798526143 /nfs/dbraw/zinc/52/61/43/798526143.db2.gz ZNPYCQOKCMYSQT-UHFFFAOYSA-N -1 0 331.284 2.144 20 5 EEBDRM O=C1CCN1c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000790351105 808613378 /nfs/dbraw/zinc/61/33/78/808613378.db2.gz CXUUYUAWFTUIBF-UHFFFAOYSA-N -1 0 347.352 2.132 20 5 EEBDRM CCOC(=O)C1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCC1 ZINC000791830551 809447845 /nfs/dbraw/zinc/44/78/45/809447845.db2.gz HGAZVKUDMMRZIX-UHFFFAOYSA-N -1 0 336.344 2.154 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001611402039 971030978 /nfs/dbraw/zinc/03/09/78/971030978.db2.gz XXJKKQGKJWSOKZ-VIFPVBQESA-N -1 0 342.298 2.129 20 5 EEBDRM O=C([O-])CCCOC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001601995554 971120090 /nfs/dbraw/zinc/12/00/90/971120090.db2.gz UNGIEDMIJXFQGS-UHFFFAOYSA-N -1 0 338.135 2.440 20 5 EEBDRM CC[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589575190 948936569 /nfs/dbraw/zinc/93/65/69/948936569.db2.gz DODWLCXHKYMPNR-OIBJUYFYSA-N -1 0 331.708 2.422 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC001589271705 953414583 /nfs/dbraw/zinc/41/45/83/953414583.db2.gz FKNFGSUVZCLOBP-VHSXEESVSA-N -1 0 331.328 2.259 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001593714733 954201252 /nfs/dbraw/zinc/20/12/52/954201252.db2.gz JSKGMMZLIPDLML-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM O=C([O-])C1(CCn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CCC1 ZINC001594880139 954420260 /nfs/dbraw/zinc/42/02/60/954420260.db2.gz TTZNCUUBXXFLBM-UHFFFAOYSA-N -1 0 333.300 2.057 20 5 EEBDRM CC[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001589551552 955219796 /nfs/dbraw/zinc/21/97/96/955219796.db2.gz HMVFNMIERCRFAC-BXUZGUMPSA-N -1 0 332.360 2.118 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)nc1 ZINC001574795777 957818341 /nfs/dbraw/zinc/81/83/41/957818341.db2.gz FUHFBSBNGUIADZ-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)CC2 ZINC001594331075 958218749 /nfs/dbraw/zinc/21/87/49/958218749.db2.gz HTPILMKDDMXQAY-QWHCGFSZSA-N -1 0 348.355 2.062 20 5 EEBDRM Cc1cccc([C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001594398772 958811242 /nfs/dbraw/zinc/81/12/42/958811242.db2.gz XFGAMZJRYLHZQF-CQSZACIVSA-N -1 0 344.327 2.433 20 5 EEBDRM CC(C)[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(=O)[O-] ZINC001573490632 959022268 /nfs/dbraw/zinc/02/22/68/959022268.db2.gz YWAGMVYDEKNTML-CQSZACIVSA-N -1 0 334.372 2.490 20 5 EEBDRM O=C([O-])C1(NC(=O)c2cccc([N+](=O)[O-])c2Br)CCC1 ZINC000159020319 959106447 /nfs/dbraw/zinc/10/64/47/959106447.db2.gz TVDXMGYRMPJEFW-UHFFFAOYSA-N -1 0 343.133 2.094 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC001573558857 959267447 /nfs/dbraw/zinc/26/74/47/959267447.db2.gz VDZPIWFZBIKAGA-SNVBAGLBSA-N -1 0 334.250 2.453 20 5 EEBDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC001340562865 962101285 /nfs/dbraw/zinc/10/12/85/962101285.db2.gz HXWSSFAYFYSMFV-ZDUSSCGKSA-N -1 0 343.339 2.431 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)[O-] ZINC001588905425 962261808 /nfs/dbraw/zinc/26/18/08/962261808.db2.gz UPWRYGSZYDANTR-LBPRGKRZSA-N -1 0 346.343 2.010 20 5 EEBDRM O=C([O-])C1CC2(C1)CC[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)O2 ZINC001594908022 970275797 /nfs/dbraw/zinc/27/57/97/970275797.db2.gz XAEMKAUTBNWUOD-MHMQJKDYSA-N -1 0 341.751 2.468 20 5 EEBDRM C[C@@H](OC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001604998723 972593989 /nfs/dbraw/zinc/59/39/89/972593989.db2.gz WEBUNNYZTZVERH-WOPDTQHZSA-N -1 0 337.328 2.469 20 5 EEBDRM CCOc1cc(NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC001603860128 974361059 /nfs/dbraw/zinc/36/10/59/974361059.db2.gz OPVLGZWWIQDBFX-VIFPVBQESA-N -1 0 337.332 2.463 20 5 EEBDRM C[C@H](CN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001592593384 978525221 /nfs/dbraw/zinc/52/52/21/978525221.db2.gz DYAKVHVMYWZQMU-SECBINFHSA-N -1 0 339.348 2.102 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000864162984 979782198 /nfs/dbraw/zinc/78/21/98/979782198.db2.gz PXXPNKDKOXOPMN-MWLCHTKSSA-N -1 0 336.369 2.365 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)C2 ZINC000864208567 979890614 /nfs/dbraw/zinc/89/06/14/979890614.db2.gz ITZYRIWQTIGSBW-LSYCYVAJSA-N -1 0 329.312 2.059 20 5 EEBDRM O=C([O-])[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000901487638 980311228 /nfs/dbraw/zinc/31/12/28/980311228.db2.gz BKZSUBMRJVKLJY-JTQLQIEISA-N -1 0 335.143 2.187 20 5 EEBDRM C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593044590 980332859 /nfs/dbraw/zinc/33/28/59/980332859.db2.gz QLMLTAQXZSBKFW-MRVPVSSYSA-N -1 0 335.341 2.169 20 5 EEBDRM CCCC[C@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC001595652169 982031625 /nfs/dbraw/zinc/03/16/25/982031625.db2.gz ZUXHRJDYOBGQPZ-ZDUSSCGKSA-N -1 0 335.316 2.131 20 5 EEBDRM CCCCC[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(=O)[O-] ZINC001595686536 982175218 /nfs/dbraw/zinc/17/52/18/982175218.db2.gz CSSARTFDCUYQMK-LBPRGKRZSA-N -1 0 344.389 2.444 20 5 EEBDRM C/C(=C\C(=O)Nc1ccc(C(=O)[O-])nn1)c1ccc([N+](=O)[O-])cc1 ZINC001588944219 984645920 /nfs/dbraw/zinc/64/59/20/984645920.db2.gz SIOLDJAGJSSKFN-CMDGGOBGSA-N -1 0 328.284 2.125 20 5 EEBDRM CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])n2)cc1[N+](=O)[O-] ZINC001597062183 986553759 /nfs/dbraw/zinc/55/37/59/986553759.db2.gz PSYZUTDIIYHSFE-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM C[C@@H](C(=O)OCc1cnc(C(=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1F ZINC001589546783 987268159 /nfs/dbraw/zinc/26/81/59/987268159.db2.gz IISKMUXHTRJEEL-MRVPVSSYSA-N -1 0 349.274 2.069 20 5 EEBDRM CSCC[C@@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001599796717 988109839 /nfs/dbraw/zinc/10/98/39/988109839.db2.gz UUFAPJUUWQDEFW-DJFZKKHWSA-N -1 0 325.342 2.358 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)n1 ZINC001597899621 989770610 /nfs/dbraw/zinc/77/06/10/989770610.db2.gz NLRKTQVACAFJME-UHFFFAOYSA-N -1 0 343.299 2.243 20 5 EEBDRM CC(C)CN(CC(=O)[O-])C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001591294604 992245124 /nfs/dbraw/zinc/24/51/24/992245124.db2.gz NROSDRKHXZONIA-UHFFFAOYSA-N -1 0 346.742 2.499 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cncc(C(=O)[O-])c1 ZINC001598501885 992446174 /nfs/dbraw/zinc/44/61/74/992446174.db2.gz OZRZQMNGVQHIMU-UHFFFAOYSA-N -1 0 329.312 2.003 20 5 EEBDRM COC(=O)/C=C/c1ccc(N[C@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001598834054 996466569 /nfs/dbraw/zinc/46/65/69/996466569.db2.gz GOPOCJXODOCXRX-VUDGCMKMSA-N -1 0 334.328 2.446 20 5 EEBDRM COc1ccc(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1O ZINC001599556423 998099309 /nfs/dbraw/zinc/09/93/09/998099309.db2.gz QXDYNSWPVBCBSZ-UHFFFAOYSA-N -1 0 333.300 2.057 20 5 EEBDRM COc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc([N+](=O)[O-])c1C ZINC001599351304 998099677 /nfs/dbraw/zinc/09/96/77/998099677.db2.gz NCEWXUYWJUIEQD-MWLCHTKSSA-N -1 0 336.344 2.237 20 5 EEBDRM COc1ccc(C(=O)N2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cc1[N+](=O)[O-] ZINC001599480052 998592562 /nfs/dbraw/zinc/59/25/62/998592562.db2.gz LXIUXVHUUYTBBN-NXEZZACHSA-N -1 0 336.344 2.317 20 5 EEBDRM C[C@@H]1[C@@H](C)[S@](=O)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001594179939 998697800 /nfs/dbraw/zinc/69/78/00/998697800.db2.gz TVISJSFRBUIZIF-ISZSSDBGSA-N -1 0 346.792 2.292 20 5 EEBDRM C[C@H]1C[C@H](C)CN(C(=O)COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001594221166 998851429 /nfs/dbraw/zinc/85/14/29/998851429.db2.gz JYOLWPUHWQYLOS-QWRGUYRKSA-N -1 0 336.344 2.176 20 5 EEBDRM C[C@H]1CCc2nc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cn2C1 ZINC001594447963 999642525 /nfs/dbraw/zinc/64/25/25/999642525.db2.gz LMIKSKXLNCZRKP-VIFPVBQESA-N -1 0 344.327 2.324 20 5 EEBDRM COc1ccc(S(=O)(=O)C=C([O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000204755291 539656774 /nfs/dbraw/zinc/65/67/74/539656774.db2.gz PADKXWMTHXXHPM-UHFFFAOYSA-N -1 0 335.337 2.260 20 5 EEBDRM O=C(Nc1nnc(C(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179445841 304020596 /nfs/dbraw/zinc/02/05/96/304020596.db2.gz BKIGGDGKYZURDP-UHFFFAOYSA-N -1 0 334.235 2.423 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000013036215 299246359 /nfs/dbraw/zinc/24/63/59/299246359.db2.gz OKDFMQRCLARXIO-QWRGUYRKSA-N -1 0 335.360 2.034 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433509 304111013 /nfs/dbraw/zinc/11/10/13/304111013.db2.gz BCOKHBFHBNNZIZ-SSDOTTSWSA-N -1 0 330.138 2.053 20 5 EEBDRM O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000456299676 244209320 /nfs/dbraw/zinc/20/93/20/244209320.db2.gz FDQIGJIYRCCBKT-CJNGLKHVSA-N -1 0 343.339 2.346 20 5 EEBDRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000262911086 245247138 /nfs/dbraw/zinc/24/71/38/245247138.db2.gz ISHQMOFHXOMAJY-QGZVFWFLSA-N -1 0 334.372 2.487 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000262104066 296208453 /nfs/dbraw/zinc/20/84/53/296208453.db2.gz JHSFZPCQQGHFHA-SCZZXKLOSA-N -1 0 342.735 2.091 20 5 EEBDRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492156071 246329420 /nfs/dbraw/zinc/32/94/20/246329420.db2.gz OJYGKZHWGQPOLD-GTBONMDNSA-N -1 0 348.355 2.090 20 5 EEBDRM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000182126181 255929715 /nfs/dbraw/zinc/92/97/15/255929715.db2.gz VROUUODFQULQNS-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM CC(C)([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000116376997 140768352 /nfs/dbraw/zinc/76/83/52/140768352.db2.gz AQOQJFQLWPQPHU-UHFFFAOYSA-N -1 0 345.377 2.404 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000262696822 152308302 /nfs/dbraw/zinc/30/83/02/152308302.db2.gz BGPNLSXCIBNFMU-OTYXRUKQSA-N -1 0 342.348 2.101 20 5 EEBDRM CC(C)(C)CC[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000263154783 152389589 /nfs/dbraw/zinc/38/95/89/152389589.db2.gz OBOZATDWBOXKGP-LBPRGKRZSA-N -1 0 348.359 2.480 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CCC(=O)[O-] ZINC000261644583 160405222 /nfs/dbraw/zinc/40/52/22/160405222.db2.gz GVHBUCHYEOIKJA-UHFFFAOYSA-N -1 0 344.389 2.079 20 5 EEBDRM O=C(Nc1cnn(CC(F)(F)F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000118505547 159366695 /nfs/dbraw/zinc/36/66/95/159366695.db2.gz DWOJHAWCODXBAK-UHFFFAOYSA-N -1 0 330.222 2.312 20 5 EEBDRM Cn1nc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc21 ZINC000185020975 160024706 /nfs/dbraw/zinc/02/47/06/160024706.db2.gz VOABNYMJESXLSU-UHFFFAOYSA-N -1 0 340.339 2.160 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(N)=O)ccc1F ZINC000192532806 160171423 /nfs/dbraw/zinc/17/14/23/160171423.db2.gz ZFCHJTLPGXIBHL-UHFFFAOYSA-N -1 0 333.275 2.094 20 5 EEBDRM O=C([O-])CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237989943 160226905 /nfs/dbraw/zinc/22/69/05/160226905.db2.gz RUXZOUKUDVZKNC-UHFFFAOYSA-N -1 0 335.341 2.313 20 5 EEBDRM O=[N+]([O-])c1ccc2[nH]c(CN=c3nc(C(F)(F)F)[n-]s3)nc2c1 ZINC000343086504 161101956 /nfs/dbraw/zinc/10/19/56/161101956.db2.gz SEPHJJPDZCMILI-UHFFFAOYSA-N -1 0 344.278 2.375 20 5 EEBDRM CCOC(=O)c1csc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000344351641 161219532 /nfs/dbraw/zinc/21/95/32/161219532.db2.gz NBLYLIXGNWRYRB-UHFFFAOYSA-N -1 0 337.313 2.186 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345816697 161334489 /nfs/dbraw/zinc/33/44/89/161334489.db2.gz YKJFOMGBGRNFHU-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM Cn1c(=O)[nH]c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc21 ZINC000356290584 163393798 /nfs/dbraw/zinc/39/37/98/163393798.db2.gz GABMUXRQXVRILJ-UHFFFAOYSA-N -1 0 328.284 2.145 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000263375191 297215428 /nfs/dbraw/zinc/21/54/28/297215428.db2.gz WLJFSZSHSMVGPM-RKDXNWHRSA-N -1 0 326.736 2.431 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000288262363 275040310 /nfs/dbraw/zinc/04/03/10/275040310.db2.gz CRFUPXSNWDPRNK-YFKPBYRVSA-N -1 0 332.687 2.477 20 5 EEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]CC(F)(F)F)cc1[N+](=O)[O-] ZINC000288694292 275081195 /nfs/dbraw/zinc/08/11/95/275081195.db2.gz XSIFQGQGHFEUQI-UHFFFAOYSA-N -1 0 332.687 2.397 20 5 EEBDRM CC(C)c1nc([C@@H]2COCCN2Cc2cc([O-])ccc2[N+](=O)[O-])no1 ZINC000339079192 280668019 /nfs/dbraw/zinc/66/80/19/280668019.db2.gz BUAOAIUIGXRSMA-AWEZNQCLSA-N -1 0 348.359 2.380 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccccc1C(=O)[O-] ZINC000325618951 289764970 /nfs/dbraw/zinc/76/49/70/289764970.db2.gz SIQQNJMZAGCACJ-UHFFFAOYSA-N -1 0 328.324 2.494 20 5 EEBDRM CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H](c2ccccc2)C1 ZINC000179406826 290029999 /nfs/dbraw/zinc/02/99/99/290029999.db2.gz NIZWDGWHOGFASU-INIZCTEOSA-N -1 0 341.367 2.429 20 5 EEBDRM CC1(C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000293606869 293250203 /nfs/dbraw/zinc/25/02/03/293250203.db2.gz CTITXQWTLMBDNK-LLVKDONJSA-N -1 0 348.277 2.482 20 5 EEBDRM CC[C@H](COCC(F)(F)F)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000295428885 293716255 /nfs/dbraw/zinc/71/62/55/293716255.db2.gz NFDVVCDLWGSXGZ-SECBINFHSA-N -1 0 336.266 2.388 20 5 EEBDRM COc1cc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000095424974 294943100 /nfs/dbraw/zinc/94/31/00/294943100.db2.gz VTJLHPGWTAAQMT-NEPJUHHUSA-N -1 0 336.344 2.367 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000263169918 300474006 /nfs/dbraw/zinc/47/40/06/300474006.db2.gz JGFOBFRXQDQIET-ONGXEEELSA-N -1 0 333.344 2.027 20 5 EEBDRM Cc1nc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])no1 ZINC000368930293 302639060 /nfs/dbraw/zinc/63/90/60/302639060.db2.gz KQSRNAOTEBHDHD-GFCCVEGCSA-N -1 0 332.316 2.359 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](O)Cc1ccccc1 ZINC000163693332 311385906 /nfs/dbraw/zinc/38/59/06/311385906.db2.gz CRTQTAULKHRFAK-NHYWBVRUSA-N -1 0 330.340 2.022 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(c1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000416451310 313226939 /nfs/dbraw/zinc/22/69/39/313226939.db2.gz ZHQCICUEBKYMRW-MEDUHNTESA-N -1 0 344.327 2.336 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCC1 ZINC000425194073 314353391 /nfs/dbraw/zinc/35/33/91/314353391.db2.gz MTZHTTNPERBMIO-QWRGUYRKSA-N -1 0 328.365 2.448 20 5 EEBDRM COC(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436871639 315008048 /nfs/dbraw/zinc/00/80/48/315008048.db2.gz OQTIMBUUGRJRSR-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436906087 315011027 /nfs/dbraw/zinc/01/10/27/315011027.db2.gz ARMXTTJOKDYGJH-NSHDSACASA-N -1 0 344.323 2.212 20 5 EEBDRM NC(=O)CSc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436947410 315014972 /nfs/dbraw/zinc/01/49/72/315014972.db2.gz MFYCRUOTOYMPQN-UHFFFAOYSA-N -1 0 347.352 2.130 20 5 EEBDRM O=C(NCc1cccc(-n2ccnc2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436963043 315017518 /nfs/dbraw/zinc/01/75/18/315017518.db2.gz CTFJBESSSAZGEN-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)s2)c([N+](=O)[O-])c1 ZINC000078491910 441936195 /nfs/dbraw/zinc/93/61/95/441936195.db2.gz BKQCBHQAULQTED-UHFFFAOYSA-N -1 0 343.386 2.478 20 5 EEBDRM C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000519764906 316822862 /nfs/dbraw/zinc/82/28/62/316822862.db2.gz IZEXWCOTEOJCKA-JOYOIKCWSA-N -1 0 342.373 2.150 20 5 EEBDRM COc1ccccc1OCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000542633048 318133921 /nfs/dbraw/zinc/13/39/21/318133921.db2.gz XCKBGCVMSZSXDV-UHFFFAOYSA-N -1 0 332.312 2.118 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(Cc2ccsc2)CC1 ZINC000543711909 318167524 /nfs/dbraw/zinc/16/75/24/318167524.db2.gz HEEANSALEDWNJI-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM Cc1csc(N2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CC2)n1 ZINC000554618295 318569698 /nfs/dbraw/zinc/56/96/98/318569698.db2.gz IBWCTOXOKSFOTR-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(CCCCO)C1CC1 ZINC000563195081 318982155 /nfs/dbraw/zinc/98/21/55/318982155.db2.gz PSDMJZBGHURMAA-UHFFFAOYSA-N -1 0 328.752 2.331 20 5 EEBDRM O=C([O-])C1(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCC1 ZINC000565399270 319178737 /nfs/dbraw/zinc/17/87/37/319178737.db2.gz ALJKQEWTNUVKDG-UHFFFAOYSA-N -1 0 332.316 2.132 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 ZINC000565423526 319181423 /nfs/dbraw/zinc/18/14/23/319181423.db2.gz KQGMLRUULKGRIX-CYZMBNFOSA-N -1 0 335.360 2.126 20 5 EEBDRM Cc1n[nH]cc1C1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000569977133 319625972 /nfs/dbraw/zinc/62/59/72/319625972.db2.gz HJBIFAPYEYCCTR-UHFFFAOYSA-N -1 0 331.332 2.104 20 5 EEBDRM CC[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC(F)(F)F ZINC000575732609 320108566 /nfs/dbraw/zinc/10/85/66/320108566.db2.gz XWGVJEKBDGRPFY-QMMMGPOBSA-N -1 0 341.311 2.247 20 5 EEBDRM CC(C)CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000575926720 320126103 /nfs/dbraw/zinc/12/61/03/320126103.db2.gz HNJURAGQMYIEBJ-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM Cc1nc(N2CCN(c3ccc(C(=O)[O-])s3)CC2)ccc1[N+](=O)[O-] ZINC000575992073 320132295 /nfs/dbraw/zinc/13/22/95/320132295.db2.gz OCCMAWBBVZWQOY-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM CN(Cc1ccc2c(c1)OCCO2)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577734022 320272722 /nfs/dbraw/zinc/27/27/22/320272722.db2.gz NROOCVZDPMJZLO-UHFFFAOYSA-N -1 0 345.311 2.096 20 5 EEBDRM Cc1cc(N2CCCN(CC(F)F)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580079831 323989572 /nfs/dbraw/zinc/98/95/72/323989572.db2.gz FLDXPDRDLFFRMX-UHFFFAOYSA-N -1 0 343.330 2.379 20 5 EEBDRM CCCN(CC(=O)OCC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000582242568 324411408 /nfs/dbraw/zinc/41/14/08/324411408.db2.gz JDFVJACQVTVUOF-UHFFFAOYSA-N -1 0 344.751 2.369 20 5 EEBDRM CCC[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000582604245 324487711 /nfs/dbraw/zinc/48/77/11/324487711.db2.gz UIOZRDIXUOXMKJ-SECBINFHSA-N -1 0 330.362 2.102 20 5 EEBDRM C[C@@H]([N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)NC(C)(C)C ZINC000486941769 447826946 /nfs/dbraw/zinc/82/69/46/447826946.db2.gz MFEYZBAIGYXDKK-SECBINFHSA-N -1 0 333.348 2.360 20 5 EEBDRM O=C([O-])c1ccnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000326585251 465041641 /nfs/dbraw/zinc/04/16/41/465041641.db2.gz FFNRFKVKKNPSMI-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c([N+](=O)[O-])c1 ZINC000336866889 465059737 /nfs/dbraw/zinc/05/97/37/465059737.db2.gz JRPIGVRENJYQNX-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM COC(=O)Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356362932 465338992 /nfs/dbraw/zinc/33/89/92/465338992.db2.gz OGJWCTFKRJVLSF-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM O=C(COC1CCOCC1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000351777038 465356867 /nfs/dbraw/zinc/35/68/67/465356867.db2.gz AFBIZGNVVWPIMZ-UHFFFAOYSA-N -1 0 330.724 2.088 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc2ccccn2n1 ZINC000552036912 468301697 /nfs/dbraw/zinc/30/16/97/468301697.db2.gz ZDXDUCBXRAOPMF-UHFFFAOYSA-N -1 0 346.368 2.660 20 5 EEBDRM C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000120878121 463050183 /nfs/dbraw/zinc/05/01/83/463050183.db2.gz LQZVYMSBZQCBFT-SNVBAGLBSA-N -1 0 329.312 2.057 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2ccnn2C(C)C)ccc1[N+](=O)[O-] ZINC000121289113 463110374 /nfs/dbraw/zinc/11/03/74/463110374.db2.gz NRZYZDORNMJTGP-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000029252723 463249567 /nfs/dbraw/zinc/24/95/67/463249567.db2.gz KOLXPGKGIWVPRY-UHFFFAOYSA-N -1 0 336.325 2.118 20 5 EEBDRM O=C(NCCc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000159594101 463294131 /nfs/dbraw/zinc/29/41/31/463294131.db2.gz MKBWFALPAKLGCB-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000103060180 463394737 /nfs/dbraw/zinc/39/47/37/463394737.db2.gz XXABAVZTERJOJJ-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM O=[N+]([O-])c1ccc2c(c1)N(Cc1c([O-])nnn1-c1ccccc1)CC2 ZINC000057101254 463452558 /nfs/dbraw/zinc/45/25/58/463452558.db2.gz NZNGBYRTNKGDBF-UHFFFAOYSA-N -1 0 337.339 2.444 20 5 EEBDRM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000124941363 463483217 /nfs/dbraw/zinc/48/32/17/463483217.db2.gz BHURKMZFRFHXHE-SECBINFHSA-N -1 0 346.386 2.224 20 5 EEBDRM Cc1cccc2c1CCN2S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000125255615 463521581 /nfs/dbraw/zinc/52/15/81/463521581.db2.gz AVOJIPYBONBCKE-UHFFFAOYSA-N -1 0 334.353 2.360 20 5 EEBDRM CNC(=O)c1ccc(C)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000185040108 463740812 /nfs/dbraw/zinc/74/08/12/463740812.db2.gz KIORTUMVORGDMR-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)c(F)c1 ZINC000177676622 463764077 /nfs/dbraw/zinc/76/40/77/463764077.db2.gz WCVQZUSMTGSXPZ-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000261629652 463807087 /nfs/dbraw/zinc/80/70/87/463807087.db2.gz HEUWLJDMLGHAAD-ZDUSSCGKSA-N -1 0 346.261 2.003 20 5 EEBDRM CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000194862568 463944996 /nfs/dbraw/zinc/94/49/96/463944996.db2.gz VHZWJSNNUPQAPL-UHFFFAOYSA-N -1 0 344.324 2.116 20 5 EEBDRM O=C(NCCc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186438002 464001111 /nfs/dbraw/zinc/00/11/11/464001111.db2.gz VSAWZXGVZGYXPO-UHFFFAOYSA-N -1 0 328.324 2.208 20 5 EEBDRM O=C([O-])C[C@@H]1CSCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000262486070 464030885 /nfs/dbraw/zinc/03/08/85/464030885.db2.gz FKPZCKTZAIGEGJ-SNVBAGLBSA-N -1 0 349.368 2.108 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000263257813 464073089 /nfs/dbraw/zinc/07/30/89/464073089.db2.gz LJENRDOTXXACLK-UHFFFAOYSA-N -1 0 343.339 2.470 20 5 EEBDRM O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237998786 464417443 /nfs/dbraw/zinc/41/74/43/464417443.db2.gz MLNXCOHROCLAAW-NKSUMMKUSA-N -1 0 340.335 2.420 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000174989398 464476798 /nfs/dbraw/zinc/47/67/98/464476798.db2.gz WFQDBAVMVGLGLB-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(C(=O)[O-])c(C)o2)c1 ZINC000362583729 465849253 /nfs/dbraw/zinc/84/92/53/465849253.db2.gz NBFHTXUIJRFRNK-UHFFFAOYSA-N -1 0 334.284 2.133 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)cc1[N+](=O)[O-] ZINC000357328001 465950878 /nfs/dbraw/zinc/95/08/78/465950878.db2.gz HKTAVSIUGFBCQQ-UHFFFAOYSA-N -1 0 348.340 2.286 20 5 EEBDRM COc1ccsc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1OC ZINC000354222137 466392070 /nfs/dbraw/zinc/39/20/70/466392070.db2.gz VQERBDGXWKZZHZ-UHFFFAOYSA-N -1 0 344.370 2.474 20 5 EEBDRM O=C(NCc1nc(-c2cccs2)c[nH]1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000338859718 466433371 /nfs/dbraw/zinc/43/33/71/466433371.db2.gz JZDNIUQEFRWBPL-UHFFFAOYSA-N -1 0 345.340 2.077 20 5 EEBDRM O=C([O-])C[C@@H]1CSCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000319753815 466599485 /nfs/dbraw/zinc/59/94/85/466599485.db2.gz ABUGWDUOMYQFGE-ACVFHECNSA-N -1 0 336.369 2.027 20 5 EEBDRM O=C([O-])C[C@@H]1CSCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000319870818 466600086 /nfs/dbraw/zinc/60/00/86/466600086.db2.gz TXHDAVNLMYXIOV-DSYXLKISSA-N -1 0 336.369 2.027 20 5 EEBDRM COc1ccccc1N(C)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000321528559 466623941 /nfs/dbraw/zinc/62/39/41/466623941.db2.gz YJQSACLSPYLKHC-UHFFFAOYSA-N -1 0 338.341 2.134 20 5 EEBDRM C[C@@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C1(C)CC1 ZINC000385236031 467386632 /nfs/dbraw/zinc/38/66/32/467386632.db2.gz VKVZNHSRQURBSX-SECBINFHSA-N -1 0 342.373 2.102 20 5 EEBDRM CCOC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000436719830 467552142 /nfs/dbraw/zinc/55/21/42/467552142.db2.gz QPDYJXHVKDTZTJ-UHFFFAOYSA-N -1 0 337.313 2.186 20 5 EEBDRM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436805537 467554824 /nfs/dbraw/zinc/55/48/24/467554824.db2.gz DJGVTUPHDODFGK-SNVBAGLBSA-N -1 0 346.343 2.180 20 5 EEBDRM CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000457341997 467805721 /nfs/dbraw/zinc/80/57/21/467805721.db2.gz KNAZLDPPUZORIO-UHFFFAOYSA-N -1 0 332.360 2.332 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000493110294 467842353 /nfs/dbraw/zinc/84/23/53/467842353.db2.gz ZRPQDEHYMPZDBI-BZJXQOFCSA-N -1 0 334.357 2.228 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NC(C)(C)C(C)C)cc1[N+](=O)[O-] ZINC000514791773 467955182 /nfs/dbraw/zinc/95/51/82/467955182.db2.gz CPALXZNLZFDCJV-UHFFFAOYSA-N -1 0 344.389 2.314 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000514938921 467964427 /nfs/dbraw/zinc/96/44/27/467964427.db2.gz JCLSXNVKFSVWKM-INIZCTEOSA-N -1 0 331.328 2.071 20 5 EEBDRM CCc1ncc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NC)s1 ZINC000567869884 468227473 /nfs/dbraw/zinc/22/74/73/468227473.db2.gz LMQFWHHFYHEJKU-UHFFFAOYSA-N -1 0 342.402 2.456 20 5 EEBDRM COC[C@@H](Cc1ccccc1)N(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578774710 468256366 /nfs/dbraw/zinc/25/63/66/468256366.db2.gz MFMWDPBJMPBERV-CYBMUJFWSA-N -1 0 345.355 2.382 20 5 EEBDRM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC000582279779 468516433 /nfs/dbraw/zinc/51/64/33/468516433.db2.gz VGJZLIDBEKEPIN-UHFFFAOYSA-N -1 0 336.325 2.304 20 5 EEBDRM CC(C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000592139016 468634030 /nfs/dbraw/zinc/63/40/30/468634030.db2.gz XQZUOBVBYJQHAZ-SECBINFHSA-N -1 0 330.362 2.006 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000600800490 468661204 /nfs/dbraw/zinc/66/12/04/468661204.db2.gz MEBWPTGCPPCETR-WCQYABFASA-N -1 0 349.387 2.280 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(F)(F)F ZINC000594723618 468664380 /nfs/dbraw/zinc/66/43/80/468664380.db2.gz HBFYZRHAFVYODN-SSDOTTSWSA-N -1 0 349.290 2.372 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000594736318 468669212 /nfs/dbraw/zinc/66/92/12/468669212.db2.gz PTDTZSNIKPIGON-RITPCOANSA-N -1 0 325.268 2.141 20 5 EEBDRM CC(C)(CO)C(C)(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592785327 468785359 /nfs/dbraw/zinc/78/53/59/468785359.db2.gz BHLCKFVAOIOHFO-UHFFFAOYSA-N -1 0 330.768 2.481 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@H](c3ccsc3)C2)c1[N+](=O)[O-] ZINC000592976246 468831842 /nfs/dbraw/zinc/83/18/42/468831842.db2.gz QMKGLXVOWLRSRS-NSHDSACASA-N -1 0 335.341 2.327 20 5 EEBDRM C/C=C\C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000584389436 468859042 /nfs/dbraw/zinc/85/90/42/468859042.db2.gz WOGKHGJNDFPPCM-XQJDBVBESA-N -1 0 333.344 2.318 20 5 EEBDRM Cc1ccc(NC(=O)N(CC(=O)[O-])C2CCOCC2)cc1[N+](=O)[O-] ZINC000584448159 468872909 /nfs/dbraw/zinc/87/29/09/468872909.db2.gz HOLYXYZEGQKTDE-UHFFFAOYSA-N -1 0 337.332 2.001 20 5 EEBDRM O=C1N[C@H](c2ccc([O-])c([N+](=O)[O-])c2)N2CCc3ccccc3[C@@H]12 ZINC000602760976 469057915 /nfs/dbraw/zinc/05/79/15/469057915.db2.gz ZFSSTIRJYNKSKJ-HOTGVXAUSA-N -1 0 325.324 2.028 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(CCC(=O)[O-])CC2)c1 ZINC000595968513 469101277 /nfs/dbraw/zinc/10/12/77/469101277.db2.gz SYFCHLDQGXYANM-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593746547 469120476 /nfs/dbraw/zinc/12/04/76/469120476.db2.gz SYUVJBLGVGEPSR-OAHLLOKOSA-N -1 0 332.316 2.084 20 5 EEBDRM C[C@@H](CO)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000593827404 469154378 /nfs/dbraw/zinc/15/43/78/469154378.db2.gz FKUVCRGVKBNDNW-VIFPVBQESA-N -1 0 342.779 2.434 20 5 EEBDRM COCc1ccc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000563206743 469198352 /nfs/dbraw/zinc/19/83/52/469198352.db2.gz NBJSXOQSQDEXHE-UHFFFAOYSA-N -1 0 331.328 2.755 20 5 EEBDRM Cn1nccc1[C@@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000563215206 469202051 /nfs/dbraw/zinc/20/20/51/469202051.db2.gz ZBRJHACNFXKYLN-ABAIWWIYSA-N -1 0 346.343 2.359 20 5 EEBDRM Cc1cccn2cc(CCNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)nc12 ZINC000611557956 469278227 /nfs/dbraw/zinc/27/82/27/469278227.db2.gz MIUBOTSXVPAXON-UHFFFAOYSA-N -1 0 340.339 2.229 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000599864727 469396995 /nfs/dbraw/zinc/39/69/95/469396995.db2.gz ULTWRJUPDALZBH-SRVKXCTJSA-N -1 0 335.360 2.408 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000619468271 469616923 /nfs/dbraw/zinc/61/69/23/469616923.db2.gz NSZSKRQRNFOPKT-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000613896369 469813019 /nfs/dbraw/zinc/81/30/19/469813019.db2.gz XDKOTRHGJJRXNK-QMMMGPOBSA-N -1 0 342.311 2.373 20 5 EEBDRM COc1ccc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000609145264 469896654 /nfs/dbraw/zinc/89/66/54/469896654.db2.gz HCNAGOGORAYDIJ-HTQZYQBOSA-N -1 0 328.346 2.137 20 5 EEBDRM COc1ccc(NC(=O)[C@H](C)SC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000738026907 576723971 /nfs/dbraw/zinc/72/39/71/576723971.db2.gz SJGVSPIZDFZYOC-BDAKNGLRSA-N -1 0 342.373 2.384 20 5 EEBDRM CN1CCOc2cc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)ccc21 ZINC000773352740 577335886 /nfs/dbraw/zinc/33/58/86/577335886.db2.gz ZZSKOTWYFCDULI-UHFFFAOYSA-N -1 0 329.312 2.381 20 5 EEBDRM COc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000773825517 577366356 /nfs/dbraw/zinc/36/63/56/577366356.db2.gz KFWGNFMBXACHRM-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM COC(=O)c1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768865408 577564536 /nfs/dbraw/zinc/56/45/36/577564536.db2.gz ANZBWOPNIYNPCT-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM CCC(=CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)CC ZINC000761426386 577683627 /nfs/dbraw/zinc/68/36/27/577683627.db2.gz BEQWBNFGWSYUCW-UHFFFAOYSA-N -1 0 342.373 2.155 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000763926596 577728060 /nfs/dbraw/zinc/72/80/60/577728060.db2.gz DQUHWJWVCLGQAG-LLVKDONJSA-N -1 0 334.353 2.203 20 5 EEBDRM C[C@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000753811817 577794192 /nfs/dbraw/zinc/79/41/92/577794192.db2.gz WKDNPKLBWBWHHB-HXOPTJOXSA-N -1 0 330.387 2.208 20 5 EEBDRM COCC(=O)Nc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000754951875 577816952 /nfs/dbraw/zinc/81/69/52/577816952.db2.gz BMRIDUAWILNFQS-UHFFFAOYSA-N -1 0 345.311 2.138 20 5 EEBDRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000749047162 577970444 /nfs/dbraw/zinc/97/04/44/577970444.db2.gz MQTOZCGTRRFUIP-NSHDSACASA-N -1 0 328.390 2.367 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738890090 578030110 /nfs/dbraw/zinc/03/01/10/578030110.db2.gz ZARULECRURHQGA-UHFFFAOYSA-N -1 0 346.255 2.157 20 5 EEBDRM O=C([O-])Nc1ccccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000740046790 578078618 /nfs/dbraw/zinc/07/86/18/578078618.db2.gz YLOCTEKRHRXUFQ-UHFFFAOYSA-N -1 0 345.311 2.494 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000740186386 578084689 /nfs/dbraw/zinc/08/46/89/578084689.db2.gz MXSGQMUDIXZENL-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737325152 578250428 /nfs/dbraw/zinc/25/04/28/578250428.db2.gz GTCINMXCZQMETC-INIZCTEOSA-N -1 0 328.324 2.422 20 5 EEBDRM COc1ccc([C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000737960013 578274498 /nfs/dbraw/zinc/27/44/98/578274498.db2.gz IOCIQSNMOFWPLT-MRXNPFEDSA-N -1 0 344.323 2.088 20 5 EEBDRM O=C([O-])c1cccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000821431859 598183477 /nfs/dbraw/zinc/18/34/77/598183477.db2.gz DJWIKBSOYXZGIX-UHFFFAOYSA-N -1 0 343.339 2.335 20 5 EEBDRM O=CNc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000833358818 600960663 /nfs/dbraw/zinc/96/06/63/600960663.db2.gz YKHQHRRFMBAVKC-UHFFFAOYSA-N -1 0 329.268 2.114 20 5 EEBDRM CN(CC(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1[N+](=O)[O-] ZINC000830682023 600967270 /nfs/dbraw/zinc/96/72/70/600967270.db2.gz LZBPKHJLNUGDBB-UHFFFAOYSA-N -1 0 335.341 2.429 20 5 EEBDRM COC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC000831655349 601062128 /nfs/dbraw/zinc/06/21/28/601062128.db2.gz LKEPKCWOAQRILC-LBPRGKRZSA-N -1 0 334.284 2.004 20 5 EEBDRM Cn1c(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833038757 601091584 /nfs/dbraw/zinc/09/15/84/601091584.db2.gz HSTRBKVTSBDPNA-OCCSQVGLSA-N -1 0 349.387 2.429 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000833190828 601182764 /nfs/dbraw/zinc/18/27/64/601182764.db2.gz ZVYCEOMMDIYSMN-NEPJUHHUSA-N -1 0 337.328 2.408 20 5 EEBDRM Cn1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000833045910 601312447 /nfs/dbraw/zinc/31/24/47/601312447.db2.gz SPRGPMWJPQNDTP-UHFFFAOYSA-N -1 0 333.300 2.039 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000013076718 601481495 /nfs/dbraw/zinc/48/14/95/601481495.db2.gz RQPLLAVCYIQBJH-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000828377584 601772048 /nfs/dbraw/zinc/77/20/48/601772048.db2.gz KNHMLTMPUQAIJC-VXNVDRBHSA-N -1 0 327.724 2.433 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)cc([N+](=O)[O-])c1 ZINC000833298435 602147495 /nfs/dbraw/zinc/14/74/95/602147495.db2.gz VAGHFKNICPXVHQ-UHFFFAOYSA-N -1 0 344.205 2.287 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000828594588 602398046 /nfs/dbraw/zinc/39/80/46/602398046.db2.gz FNFDTISUKAJAJH-AWEZNQCLSA-N -1 0 329.312 2.500 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1(C(=O)[O-])CCCC1 ZINC000832972381 604459645 /nfs/dbraw/zinc/45/96/45/604459645.db2.gz ATABVOYXVCJCSV-UHFFFAOYSA-N -1 0 335.360 2.171 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000093433567 604467935 /nfs/dbraw/zinc/46/79/35/604467935.db2.gz KKGIGIDHGUOAGW-SSDOTTSWSA-N -1 0 330.138 2.196 20 5 EEBDRM O=C([O-])CCc1csc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000833240654 604739925 /nfs/dbraw/zinc/73/99/25/604739925.db2.gz NDECVRFEBXBLKT-UHFFFAOYSA-N -1 0 339.304 2.460 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833422224 605076520 /nfs/dbraw/zinc/07/65/20/605076520.db2.gz BKDXVGJEYISRKG-SNVBAGLBSA-N -1 0 346.286 2.425 20 5 EEBDRM CC(C)(C)C[C@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000833428568 605235400 /nfs/dbraw/zinc/23/54/00/605235400.db2.gz UIHCHFXTWJYIAY-ZDUSSCGKSA-N -1 0 349.343 2.377 20 5 EEBDRM CC1=C(C(=O)[O-])C[C@@H](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)O1 ZINC000833582673 605236217 /nfs/dbraw/zinc/23/62/17/605236217.db2.gz YAALFCUKCLFPEM-LBPRGKRZSA-N -1 0 330.300 2.001 20 5 EEBDRM CC(C)[C@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833471030 605294249 /nfs/dbraw/zinc/29/42/49/605294249.db2.gz HENFTJYNGYIOQN-GFCCVEGCSA-N -1 0 339.304 2.062 20 5 EEBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000833419628 605901211 /nfs/dbraw/zinc/90/12/11/605901211.db2.gz RNXSWKBOXFQJBQ-UHFFFAOYSA-N -1 0 344.327 2.418 20 5 EEBDRM Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(N)c([N+](=O)[O-])c1 ZINC000262747441 688319098 /nfs/dbraw/zinc/31/90/98/688319098.db2.gz ARLDLHCTTHKZTJ-NSHDSACASA-N -1 0 335.360 2.202 20 5 EEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263560618 690165483 /nfs/dbraw/zinc/16/54/83/690165483.db2.gz RGNFYSRYGQKIBH-GHMZBOCLSA-N -1 0 346.261 2.497 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(NC(=N)SCCS(=O)(=O)[O-])c1F ZINC001168094166 1186674617 /nfs/dbraw/zinc/67/46/17/1186674617.db2.gz UFFZCVKZUJZOJK-UHFFFAOYSA-N -1 0 337.354 2.010 20 5 EEBDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000120645771 1198299651 /nfs/dbraw/zinc/29/96/51/1198299651.db2.gz SDRCJPROECFQHI-UHFFFAOYSA-N -1 0 329.359 2.048 20 5 EEBDRM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000122204238 1201839076 /nfs/dbraw/zinc/83/90/76/1201839076.db2.gz LFFDPEJGARSOKJ-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779674190 1210748444 /nfs/dbraw/zinc/74/84/44/1210748444.db2.gz CJYGMHKGYIAZRZ-UHFFFAOYSA-N -1 0 343.255 2.337 20 5 EEBDRM O=C(NC[C@@]1(O)CCCc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119067616 1229444173 /nfs/dbraw/zinc/44/41/73/1229444173.db2.gz SIYQGEPQUYXJLZ-SFHVURJKSA-N -1 0 342.351 2.254 20 5 EEBDRM COc1cnc(-c2noc(-c3cccc([N+](=O)[O-])c3[O-])n2)c(OC)c1 ZINC001216702156 1297261128 /nfs/dbraw/zinc/26/11/28/1297261128.db2.gz KOCNMZFBVHFSIZ-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM O=C([O-])C[C@H](O)C(=O)Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001225972341 1301218793 /nfs/dbraw/zinc/21/87/93/1301218793.db2.gz DJQOXOVTFHIDAS-AWEZNQCLSA-N -1 0 331.280 2.003 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001226649566 1301493821 /nfs/dbraw/zinc/49/38/21/1301493821.db2.gz LLGDRMMNTCHJAL-ZETCQYMHSA-N -1 0 337.263 2.156 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2ccccc2OC)c1[N+](=O)[O-] ZINC001226653538 1301495712 /nfs/dbraw/zinc/49/57/12/1301495712.db2.gz WMVGKBNRPLESLS-QMMMGPOBSA-N -1 0 349.299 2.026 20 5 EEBDRM Cc1ccc2c(c1)nc(=O)[n-]c2O[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001230889807 1303527127 /nfs/dbraw/zinc/52/71/27/1303527127.db2.gz WXJVEHJZMUBBKQ-AWEZNQCLSA-N -1 0 326.312 2.436 20 5 EEBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000797061462 1304632824 /nfs/dbraw/zinc/63/28/24/1304632824.db2.gz KBTQRQFYPMRLHE-SNVBAGLBSA-N -1 0 328.390 2.117 20 5 EEBDRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001602114458 1350442199 /nfs/dbraw/zinc/44/21/99/1350442199.db2.gz FALSPDAVOXEAJB-HNNXBMFYSA-N -1 0 342.351 2.340 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cn1 ZINC001602343876 1350500230 /nfs/dbraw/zinc/50/02/30/1350500230.db2.gz WOHVDDJHSYNMOG-UONOGXRCSA-N -1 0 341.323 2.108 20 5 EEBDRM O=[N+]([O-])c1cc(Br)ccc1CN=c1ncnc2[nH][nH]cc1-2 ZINC001307196961 1331515968 /nfs/dbraw/zinc/51/59/68/1331515968.db2.gz JBZONFASWIOVTL-UHFFFAOYSA-N -1 0 349.148 2.009 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC001608667597 1351737883 /nfs/dbraw/zinc/73/78/83/1351737883.db2.gz MMYSUDYKYFCWCW-VIFPVBQESA-N -1 0 326.736 2.479 20 5 EEBDRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001608747497 1351755247 /nfs/dbraw/zinc/75/52/47/1351755247.db2.gz NDIFDVNLERIEMN-UHFFFAOYSA-N -1 0 337.719 2.303 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001608758556 1351756468 /nfs/dbraw/zinc/75/64/68/1351756468.db2.gz MQYKBHLBJJDQPA-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])Cc1ccc(NCCc2ccc(O)c(CO)c2)c([N+](=O)[O-])c1 ZINC001608780914 1351762144 /nfs/dbraw/zinc/76/21/44/1351762144.db2.gz XPJLZBDHRYKFGL-UHFFFAOYSA-N -1 0 346.339 2.074 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001608802117 1351767027 /nfs/dbraw/zinc/76/70/27/1351767027.db2.gz AMIRDYZJHWNJIA-LSDHHAIUSA-N -1 0 348.355 2.075 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cc(CC3CC3)[nH]n2)cc([N+](=O)[O-])c1 ZINC001608837305 1351775224 /nfs/dbraw/zinc/77/52/24/1351775224.db2.gz KRSVQUXSKNYNHJ-UHFFFAOYSA-N -1 0 330.300 2.221 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2csc(-c3ccco3)n2)c1=O ZINC001608863924 1351780779 /nfs/dbraw/zinc/78/07/79/1351780779.db2.gz APIRZYBHXKPWNL-UHFFFAOYSA-N -1 0 347.308 2.220 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)nc1 ZINC001608884597 1351786797 /nfs/dbraw/zinc/78/67/97/1351786797.db2.gz FULNHTOLXLLUPU-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])c1ccc(OCc2nc(CC(F)(F)F)no2)cc1[N+](=O)[O-] ZINC001608908079 1351791506 /nfs/dbraw/zinc/79/15/06/1351791506.db2.gz CBMLXOUKRUZNMA-UHFFFAOYSA-N -1 0 347.205 2.360 20 5 EEBDRM O=C(COc1ccc([N+](=O)[O-])c(F)c1)[N-]OCCC(F)(F)F ZINC001325910373 1333992390 /nfs/dbraw/zinc/99/23/90/1333992390.db2.gz FNNUQSPPNNBNNL-UHFFFAOYSA-N -1 0 326.202 2.113 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001609434187 1351974980 /nfs/dbraw/zinc/97/49/80/1351974980.db2.gz GASFOQPCMLFXAU-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC001609712423 1352065720 /nfs/dbraw/zinc/06/57/20/1352065720.db2.gz FAHAREUDBHYVFY-MRXNPFEDSA-N -1 0 336.344 2.365 20 5 EEBDRM C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)C[C@H](C)S1 ZINC001338058068 1336782978 /nfs/dbraw/zinc/78/29/78/1336782978.db2.gz ADUVIYFGOIRERO-AOOOYVTPSA-N -1 0 349.416 2.426 20 5 EEBDRM Cn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001338205057 1336816316 /nfs/dbraw/zinc/81/63/16/1336816316.db2.gz DHVRHHGNRXSQNZ-PHIMTYICSA-N -1 0 329.360 2.188 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001610211596 1352186485 /nfs/dbraw/zinc/18/64/85/1352186485.db2.gz PMGJZCFKSOFRIR-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM COc1cc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccn1 ZINC001610297483 1352201435 /nfs/dbraw/zinc/20/14/35/1352201435.db2.gz DMXXIUZZFJVIOD-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM CSc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c1[N+](=O)[O-] ZINC001610386580 1352214473 /nfs/dbraw/zinc/21/44/73/1352214473.db2.gz FMKHJVUOHFHDJI-ZDUSSCGKSA-N -1 0 342.398 2.007 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC001610479984 1352229734 /nfs/dbraw/zinc/22/97/34/1352229734.db2.gz QRMSHBSNKAHZIE-LBPRGKRZSA-N -1 0 344.389 2.023 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(C[C@@H]2CCc3ccccc3C2)c1 ZINC001610817316 1352279522 /nfs/dbraw/zinc/27/95/22/1352279522.db2.gz FFNUIDIATCYLKA-LLVKDONJSA-N -1 0 328.324 2.260 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC[C@H](O)COc2ccccc2)c1 ZINC001610840945 1352283333 /nfs/dbraw/zinc/28/33/33/1352283333.db2.gz HKAVYINESVXXGG-GFCCVEGCSA-N -1 0 333.296 2.112 20 5 EEBDRM O=C([O-])c1sccc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001610875914 1352288995 /nfs/dbraw/zinc/28/89/95/1352288995.db2.gz CEFJDZJUWQCTLU-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001595193423 1349882379 /nfs/dbraw/zinc/88/23/79/1349882379.db2.gz ADSMVDUMVPZWGA-SNVBAGLBSA-N -1 0 344.270 2.276 20 5 EEBDRM Cc1c(C(=O)[O-])ccc(Cl)c1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001599996283 1349951920 /nfs/dbraw/zinc/95/19/20/1349951920.db2.gz DWTCMQALKJFHBN-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM Cc1c(NC(=O)NCc2ccncc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044379 1349961010 /nfs/dbraw/zinc/96/10/10/1349961010.db2.gz KSPILXPNKAAAJI-UHFFFAOYSA-N -1 0 330.300 2.318 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1 ZINC001600105046 1349972235 /nfs/dbraw/zinc/97/22/35/1349972235.db2.gz INQXCDYCCRHFFI-IONNQARKSA-N -1 0 349.265 2.152 20 5 EEBDRM Cc1cc(OCC(=O)NC2(CC(=O)[O-])CCCC2)ccc1[N+](=O)[O-] ZINC001600288486 1350011998 /nfs/dbraw/zinc/01/19/98/1350011998.db2.gz OOTUCIIEIWQSHK-UHFFFAOYSA-N -1 0 336.344 2.186 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)n1C ZINC001600304973 1350015547 /nfs/dbraw/zinc/01/55/47/1350015547.db2.gz ZWBNTDGAOIEJLF-UHFFFAOYSA-N -1 0 331.328 2.178 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])n1 ZINC001600303946 1350015598 /nfs/dbraw/zinc/01/55/98/1350015598.db2.gz AZXOQQAWNLHBJV-OAHLLOKOSA-N -1 0 341.323 2.263 20 5 EEBDRM Cc1ccc(CNC(=O)N2CCC(CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001600415389 1350045993 /nfs/dbraw/zinc/04/59/93/1350045993.db2.gz POOOEFDVPICNHP-UHFFFAOYSA-N -1 0 335.360 2.300 20 5 EEBDRM Cc1ccc(NCCCNc2nccc(C(=O)[O-])n2)c([N+](=O)[O-])c1 ZINC001600460340 1350057467 /nfs/dbraw/zinc/05/74/67/1350057467.db2.gz TVUHNGSYNXCCIJ-UHFFFAOYSA-N -1 0 331.332 2.306 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001600823409 1350144810 /nfs/dbraw/zinc/14/48/10/1350144810.db2.gz DKVSKVYYHDQQKB-UHFFFAOYSA-N -1 0 346.295 2.098 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001601214107 1350233114 /nfs/dbraw/zinc/23/31/14/1350233114.db2.gz GGXQBUJPGWACOD-UHFFFAOYSA-N -1 0 341.323 2.074 20 5 EEBDRM O=C([O-])c1occc1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001601353416 1350264202 /nfs/dbraw/zinc/26/42/02/1350264202.db2.gz KPGHNAMXPPENAC-UHFFFAOYSA-N -1 0 343.295 2.226 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccnc1 ZINC001601403041 1350275664 /nfs/dbraw/zinc/27/56/64/1350275664.db2.gz FMMXPUWAYPOXFL-CQSZACIVSA-N -1 0 340.295 2.027 20 5 EEBDRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001601408763 1350277703 /nfs/dbraw/zinc/27/77/03/1350277703.db2.gz KNNGMPFQZRSXBZ-VXGBXAGGSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001601457978 1350288504 /nfs/dbraw/zinc/28/85/04/1350288504.db2.gz KCNWQBSAVMQXJC-ZDUSSCGKSA-N -1 0 332.287 2.332 20 5 EEBDRM O=C([O-])C1=CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC001601739233 1350351982 /nfs/dbraw/zinc/35/19/82/1350351982.db2.gz FNRLEEKVQMAYPA-GFCCVEGCSA-N -1 0 345.355 2.416 20 5 EEBDRM O=C([O-])CCSc1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC001602031184 1350422165 /nfs/dbraw/zinc/42/21/65/1350422165.db2.gz DBIFEHJOFYFJOS-UHFFFAOYSA-N -1 0 336.329 2.137 20 5 EEBDRM O=C([O-])Cc1sccc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001602158616 1350454490 /nfs/dbraw/zinc/45/44/90/1350454490.db2.gz QENZICYMGNRVRJ-UHFFFAOYSA-N -1 0 332.337 2.439 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CC(=O)c3ccccc32)cc([N+](=O)[O-])c1 ZINC001602245043 1350474922 /nfs/dbraw/zinc/47/49/22/1350474922.db2.gz JPEHEVQQAGAGPT-CQSZACIVSA-N -1 0 340.291 2.351 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cc(F)cnc2Cl)n1 ZINC001602405885 1350512106 /nfs/dbraw/zinc/51/21/06/1350512106.db2.gz UKHSDYDXUFVWMY-UHFFFAOYSA-N -1 0 326.671 2.488 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@H](CO)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001602483675 1350529793 /nfs/dbraw/zinc/52/97/93/1350529793.db2.gz OXEUGCLYEBRWSA-JTQLQIEISA-N -1 0 335.291 2.015 20 5 EEBDRM O=C([O-])[C@H](OC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC001602598235 1350554110 /nfs/dbraw/zinc/55/41/10/1350554110.db2.gz IEBKMAKUUKAGKV-SNVBAGLBSA-N -1 0 344.117 2.377 20 5 EEBDRM O=Cc1cc2c(cc1OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])OCO2 ZINC001602664754 1350568714 /nfs/dbraw/zinc/56/87/14/1350568714.db2.gz BJXFQSLMOZGCHP-UHFFFAOYSA-N -1 0 345.263 2.413 20 5 EEBDRM CC(C)CC[C@](C)(O)CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603278353 1350678606 /nfs/dbraw/zinc/67/86/06/1350678606.db2.gz NQXCKTQSNAFPJX-HNNXBMFYSA-N -1 0 334.380 2.374 20 5 EEBDRM CC(C)(C(=O)OCc1csc(C(=O)[O-])c1)n1cc([N+](=O)[O-])cn1 ZINC001603293573 1350681786 /nfs/dbraw/zinc/68/17/86/1350681786.db2.gz LDQYARCNNJBEIT-UHFFFAOYSA-N -1 0 339.329 2.030 20 5 EEBDRM CCc1nocc1CN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001604588292 1350966039 /nfs/dbraw/zinc/96/60/39/1350966039.db2.gz UMRSNBUMHZFBNW-UHFFFAOYSA-N -1 0 343.347 2.270 20 5 EEBDRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001604657323 1350979019 /nfs/dbraw/zinc/97/90/19/1350979019.db2.gz LLOJUTIYGAKGMP-VXGBXAGGSA-N -1 0 349.387 2.131 20 5 EEBDRM C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC[S@](=O)C1 ZINC001604808001 1351010726 /nfs/dbraw/zinc/01/07/26/1351010726.db2.gz IGNFEVCAEOUZFY-PJLCYMMNSA-N -1 0 346.792 2.151 20 5 EEBDRM C[C@@H]1SCCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)[C@H]1C ZINC001604841172 1351018191 /nfs/dbraw/zinc/01/81/91/1351018191.db2.gz DSHDCEXRDAUNLV-QWRGUYRKSA-N -1 0 340.401 2.384 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001604899485 1351027829 /nfs/dbraw/zinc/02/78/29/1351027829.db2.gz HBBJAQGDCFRBRY-HNNXBMFYSA-N -1 0 326.324 2.426 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC001604987085 1351046505 /nfs/dbraw/zinc/04/65/05/1351046505.db2.gz HSQHJYHKDSSTBN-UHFFFAOYSA-N -1 0 325.317 2.442 20 5 EEBDRM CCCCc1nc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)no1 ZINC001605292778 1351127336 /nfs/dbraw/zinc/12/73/36/1351127336.db2.gz GNFRVMNUEYVTPN-UHFFFAOYSA-N -1 0 349.299 2.376 20 5 EEBDRM CCOC(=O)c1ccc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])o1 ZINC001605571168 1351191860 /nfs/dbraw/zinc/19/18/60/1351191860.db2.gz NACYRCBWKCPVMK-UHFFFAOYSA-N -1 0 349.299 2.378 20 5 EEBDRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001606576049 1351324761 /nfs/dbraw/zinc/32/47/61/1351324761.db2.gz COEVOQPVKFUTHY-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM O=c1c(-c2nnn[n-]2)cn(CC2=CCCC2)c2ccc([N+](=O)[O-])cc12 ZINC001607091492 1351413984 /nfs/dbraw/zinc/41/39/84/1351413984.db2.gz GVKJCDOSRSNXJY-UHFFFAOYSA-N -1 0 338.327 2.200 20 5 EEBDRM COc1ccc(/C=C\C(=O)[O-])cc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC001607242326 1351457370 /nfs/dbraw/zinc/45/73/70/1351457370.db2.gz JIXHPMVMSRJHBV-XQRVVYSFSA-N -1 0 347.327 2.285 20 5 EEBDRM C[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001607423568 1351492294 /nfs/dbraw/zinc/49/22/94/1351492294.db2.gz OZXFTELGJKWLIQ-LLVKDONJSA-N -1 0 344.389 2.220 20 5 EEBDRM Cc1c(Cl)cccc1NC(=O)Cn1cc([N+](=O)[O-])c(C(=O)[O-])n1 ZINC001607531293 1351511532 /nfs/dbraw/zinc/51/15/32/1351511532.db2.gz RGZVKXDTGJGCFN-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1c(NC(=O)NC[C@H](C)CCCO)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607542572 1351513129 /nfs/dbraw/zinc/51/31/29/1351513129.db2.gz PAUJONUACWBRDA-SECBINFHSA-N -1 0 339.348 2.132 20 5 EEBDRM Cc1c(NC(=O)N[C@H](C)c2ccn(C)n2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607543034 1351513265 /nfs/dbraw/zinc/51/32/65/1351513265.db2.gz NVSLSAGSNNYCJS-SECBINFHSA-N -1 0 347.331 2.218 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](CO)CCc2ccccc2)n1 ZINC001607587335 1351520022 /nfs/dbraw/zinc/52/00/22/1351520022.db2.gz JNLXWGXRFJDDQX-ZDUSSCGKSA-N -1 0 345.355 2.402 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001608146167 1351634805 /nfs/dbraw/zinc/63/48/05/1351634805.db2.gz MRGPFUFVSXHPCQ-MADCSZMMSA-N -1 0 348.281 2.038 20 5 EEBDRM Cn1nc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1C(F)(F)F ZINC001608149117 1351635557 /nfs/dbraw/zinc/63/55/57/1351635557.db2.gz VLBNULOIFCXBLG-UHFFFAOYSA-N -1 0 345.237 2.052 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)CCOc2cccc([N+](=O)[O-])c2)o1 ZINC001608312857 1351668809 /nfs/dbraw/zinc/66/88/09/1351668809.db2.gz WDXRTORUGLECSG-UHFFFAOYSA-N -1 0 335.268 2.398 20 5 EEBDRM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC001606079917 1404765004 /nfs/dbraw/zinc/76/50/04/1404765004.db2.gz OHFVNUXCFWGDMI-CQSZACIVSA-N -1 0 349.368 2.035 20 5 EEBDRM CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001606261971 1404777950 /nfs/dbraw/zinc/77/79/50/1404777950.db2.gz ICWWKJMFOLEQDJ-OWVOXGNYSA-N -1 0 333.344 2.019 20 5 EEBDRM O=C(COC(=O)c1ccc([N+](=O)[O-])[n-]1)N[C@@H]1CCCc2ccccc21 ZINC000920130039 770590049 /nfs/dbraw/zinc/59/00/49/770590049.db2.gz GDKVVASIOHCOLJ-CYBMUJFWSA-N -1 0 343.339 2.274 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@@H]21 ZINC000910333462 786663854 /nfs/dbraw/zinc/66/38/54/786663854.db2.gz YIJKGVALUXCOHS-VDDIYKPWSA-N -1 0 328.271 2.353 20 5 EEBDRM COc1ccc2c(c1)CN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])CCO2 ZINC000844218234 788908654 /nfs/dbraw/zinc/90/86/54/788908654.db2.gz OHMYOEBPTVRZBV-UHFFFAOYSA-N -1 0 345.311 2.096 20 5 EEBDRM COc1ccc2c(c1)CN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])CCO2 ZINC000844218220 788908806 /nfs/dbraw/zinc/90/88/06/788908806.db2.gz OEGHOULDRLVPCI-UHFFFAOYSA-N -1 0 345.311 2.096 20 5 EEBDRM Cc1sc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1C(=O)[O-] ZINC000844206508 788925041 /nfs/dbraw/zinc/92/50/41/788925041.db2.gz FCGXWOKUQNVUKI-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM O=C([O-])Cc1ccc(N2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000844208229 788927186 /nfs/dbraw/zinc/92/71/86/788927186.db2.gz AXEDVYKPWJONTJ-CQSZACIVSA-N -1 0 343.339 2.275 20 5 EEBDRM CN(C[C@@](C)(O)c1ccccc1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844210613 788928348 /nfs/dbraw/zinc/92/83/48/788928348.db2.gz WRQLOZOPPAQWKO-MRXNPFEDSA-N -1 0 331.328 2.032 20 5 EEBDRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000170939861 791156542 /nfs/dbraw/zinc/15/65/42/791156542.db2.gz XIJDBPWCFRPYJM-LLVKDONJSA-N -1 0 328.390 2.472 20 5 EEBDRM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000174017313 791943933 /nfs/dbraw/zinc/94/39/33/791943933.db2.gz UQTXJPOGHCJEFX-VHSXEESVSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C(CC1CCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000174113233 791964257 /nfs/dbraw/zinc/96/42/57/791964257.db2.gz USPSCWGUHDCUQW-UHFFFAOYSA-N -1 0 332.765 2.243 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1ccccc1F ZINC000194332664 796675921 /nfs/dbraw/zinc/67/59/21/796675921.db2.gz ICRIQRMGPBOIFS-UHFFFAOYSA-N -1 0 328.296 2.352 20 5 EEBDRM CONC(=O)c1ccccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174505894 797784834 /nfs/dbraw/zinc/78/48/34/797784834.db2.gz SHTKNEQUKSBKSS-UHFFFAOYSA-N -1 0 331.284 2.328 20 5 EEBDRM Cn1c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nnc1C(F)(F)F ZINC001176672234 798523024 /nfs/dbraw/zinc/52/30/24/798523024.db2.gz KETZKSKXZCKYNA-UHFFFAOYSA-N -1 0 331.210 2.184 20 5 EEBDRM Cc1c(CNC(=O)NC2(C(=O)[O-])CCCCC2)cccc1[N+](=O)[O-] ZINC000324822732 939126373 /nfs/dbraw/zinc/12/63/73/939126373.db2.gz ADOWNAVAWZNBJL-UHFFFAOYSA-N -1 0 335.360 2.490 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CCCC2(C1)OCCO2 ZINC000323238078 970980264 /nfs/dbraw/zinc/98/02/64/970980264.db2.gz VUDMRQIGALAAGU-UHFFFAOYSA-N -1 0 342.735 2.290 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(=O)[O-])CC1CC1 ZINC001589560845 948806284 /nfs/dbraw/zinc/80/62/84/948806284.db2.gz ABXJPAIPSUNOQD-CQSZACIVSA-N -1 0 334.372 2.487 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001595196132 952298735 /nfs/dbraw/zinc/29/87/35/952298735.db2.gz AEUBPAORPNHYRM-JTQLQIEISA-N -1 0 326.736 2.114 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[nH]n1 ZINC001595210173 952360903 /nfs/dbraw/zinc/36/09/03/952360903.db2.gz OMEYYMFIZRETEG-UHFFFAOYSA-N -1 0 344.205 2.287 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001589268167 953383623 /nfs/dbraw/zinc/38/36/23/953383623.db2.gz CZSCFZJBTZLTHE-PWSUYJOCSA-N -1 0 338.335 2.236 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001589297961 953660421 /nfs/dbraw/zinc/66/04/21/953660421.db2.gz BTMUHXITCXKCDV-WCUVEOEZSA-N -1 0 332.356 2.410 20 5 EEBDRM CN(CCC(=O)[O-])C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001593738721 954348582 /nfs/dbraw/zinc/34/85/82/954348582.db2.gz NXZIZTHNMDOTQG-UHFFFAOYSA-N -1 0 329.312 2.204 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001593755758 954451438 /nfs/dbraw/zinc/45/14/38/954451438.db2.gz PJIJQHVTPNRFLP-GHMZBOCLSA-N -1 0 326.736 2.317 20 5 EEBDRM C[C@H](C(=O)[O-])N(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000842471234 955597042 /nfs/dbraw/zinc/59/70/42/955597042.db2.gz VIVMFADWOCMWCC-MRVPVSSYSA-N -1 0 341.751 2.124 20 5 EEBDRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCCc1cccc([N+](=O)[O-])c1 ZINC001594672334 956623824 /nfs/dbraw/zinc/62/38/24/956623824.db2.gz HASIHGWCAXOSRY-ALCCZGGFSA-N -1 0 330.296 2.258 20 5 EEBDRM C[C@@H](CN(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(=O)[O-] ZINC001603152434 972253336 /nfs/dbraw/zinc/25/33/36/972253336.db2.gz UQICTRXGGUCKSG-LURJTMIESA-N -1 0 330.728 2.015 20 5 EEBDRM O=C([O-])c1ccc(/C=C/C(=O)N2CCc3c2cccc3[N+](=O)[O-])o1 ZINC001574799314 957829074 /nfs/dbraw/zinc/82/90/74/957829074.db2.gz GKFHJLXALDDCKE-FNORWQNLSA-N -1 0 328.280 2.489 20 5 EEBDRM CON(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H](C)C(=O)[O-] ZINC001594039852 957854559 /nfs/dbraw/zinc/85/45/59/957854559.db2.gz PRYAQJAGXIGSHQ-SNVBAGLBSA-N -1 0 340.335 2.158 20 5 EEBDRM COc1ccc(CNC(=O)Cc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001594093339 958380069 /nfs/dbraw/zinc/38/00/69/958380069.db2.gz MJYWCMNKLKFHSR-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM C[C@H](C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001588546970 959000970 /nfs/dbraw/zinc/00/09/70/959000970.db2.gz DRMCBUDPUUYWPA-OUJBWJOFSA-N -1 0 338.335 2.407 20 5 EEBDRM C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001573725251 960398886 /nfs/dbraw/zinc/39/88/86/960398886.db2.gz BIDCOHIRMCRUKP-MFKMUULPSA-N -1 0 338.335 2.236 20 5 EEBDRM C[C@@H]1CCCN(C(=O)CSc2ccccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC001573726091 960407960 /nfs/dbraw/zinc/40/79/60/960407960.db2.gz JXIHCKYGYXEVPR-QMTHXVAHSA-N -1 0 338.385 2.399 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574507642 961792705 /nfs/dbraw/zinc/79/27/05/961792705.db2.gz UUMLQUVDCJBGBQ-DOMZBBRYSA-N -1 0 341.323 2.220 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001588935334 962493114 /nfs/dbraw/zinc/49/31/14/962493114.db2.gz WXQQGBDPNRSLGC-NEPJUHHUSA-N -1 0 336.344 2.365 20 5 EEBDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001604999651 972599408 /nfs/dbraw/zinc/59/94/08/972599408.db2.gz UHEQVJJTLIFSCX-DGCLKSJQSA-N -1 0 336.344 2.218 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001605092395 972742458 /nfs/dbraw/zinc/74/24/58/972742458.db2.gz VOJLQVGLUKUMOR-ZDUSSCGKSA-N -1 0 344.327 2.116 20 5 EEBDRM Cc1cc(NC(=O)C2(C(=O)[O-])CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001605192815 972916206 /nfs/dbraw/zinc/91/62/06/972916206.db2.gz UARPIKWRUPLGOO-UHFFFAOYSA-N -1 0 329.312 2.067 20 5 EEBDRM O=C([O-])c1ccccc1C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001606521727 974019582 /nfs/dbraw/zinc/01/95/82/974019582.db2.gz PWTQJYKGUJVIJL-UHFFFAOYSA-N -1 0 344.327 2.036 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC001591751111 975801720 /nfs/dbraw/zinc/80/17/20/975801720.db2.gz INPLMQSOXULGPQ-GFCCVEGCSA-N -1 0 336.344 2.365 20 5 EEBDRM CC(C)Oc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c(C(=O)[O-])c1 ZINC001591787799 975963657 /nfs/dbraw/zinc/96/36/57/975963657.db2.gz BZRPELXDVNDBFE-UHFFFAOYSA-N -1 0 348.315 2.066 20 5 EEBDRM CC(C)Oc1nc(NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)ccc1[N+](=O)[O-] ZINC001591809809 976037060 /nfs/dbraw/zinc/03/70/60/976037060.db2.gz LZBLTCJFIZVUDR-XVKPBYJWSA-N -1 0 331.275 2.155 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N(CC(=O)[O-])C2CCCCC2)c1[N+](=O)[O-] ZINC001591921285 976395186 /nfs/dbraw/zinc/39/51/86/976395186.db2.gz WZBSJVQUJLPSNZ-UHFFFAOYSA-N -1 0 338.364 2.301 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000864198544 979869637 /nfs/dbraw/zinc/86/96/37/979869637.db2.gz IUDXWRBWAIVNKF-KRWDZBQOSA-N -1 0 345.355 2.309 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001595213005 980003897 /nfs/dbraw/zinc/00/38/97/980003897.db2.gz RKIUTSCMLSXTCV-LLVKDONJSA-N -1 0 346.343 2.234 20 5 EEBDRM CC[C@@](C)(NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594840165 982047592 /nfs/dbraw/zinc/04/75/92/982047592.db2.gz ADZSVKQMZVTHOS-CYBMUJFWSA-N -1 0 332.715 2.299 20 5 EEBDRM CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001594988271 982833526 /nfs/dbraw/zinc/83/35/26/982833526.db2.gz YKJMDAWTKZRDDD-YBFGJNSCSA-N -1 0 335.360 2.408 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001589002676 984948575 /nfs/dbraw/zinc/94/85/75/984948575.db2.gz QGAGUTPMDVYTKD-KJJQSCHISA-N -1 0 336.369 2.027 20 5 EEBDRM CCO[C@@H]1C[C@]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596837823 985499310 /nfs/dbraw/zinc/49/93/10/985499310.db2.gz KTADUSDQXLJEHH-CJNGLKHVSA-N -1 0 338.360 2.048 20 5 EEBDRM C[C@@H](C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589346936 986292345 /nfs/dbraw/zinc/29/23/45/986292345.db2.gz YPQCAZNABVIHQN-HQJQHLMTSA-N -1 0 346.261 2.158 20 5 EEBDRM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC001594583263 986448268 /nfs/dbraw/zinc/44/82/68/986448268.db2.gz FPVWIHPRGGHGPO-GMSGAONNSA-N -1 0 349.265 2.234 20 5 EEBDRM C[C@H]1COCC[C@@H]1Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594605230 986565320 /nfs/dbraw/zinc/56/53/20/986565320.db2.gz YVXZFOYHIJRZKS-XVKPBYJWSA-N -1 0 325.277 2.038 20 5 EEBDRM C[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC001589431078 986724165 /nfs/dbraw/zinc/72/41/65/986724165.db2.gz WLRQNXNYMUZHRC-WHFNTLTKSA-N -1 0 336.319 2.063 20 5 EEBDRM CCc1ccc(C(=O)NCc2ncc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC001597500996 988062561 /nfs/dbraw/zinc/06/25/61/988062561.db2.gz IXNSZIRRYKSIBD-UHFFFAOYSA-N -1 0 335.341 2.242 20 5 EEBDRM CSc1cccc(C(=O)OCC(=O)C(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC001599823636 988559060 /nfs/dbraw/zinc/55/90/60/988559060.db2.gz FQCNZUDCEHDTFF-UHFFFAOYSA-N -1 0 341.341 2.153 20 5 EEBDRM CSc1nccnc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599829818 988654611 /nfs/dbraw/zinc/65/46/11/988654611.db2.gz NYKISUWYJIYUJG-UHFFFAOYSA-N -1 0 348.340 2.366 20 5 EEBDRM COc1ncc(Cn2cc([N+](=O)[O-])c(C(=O)[O-])n2)c2ccccc21 ZINC001599733546 991741726 /nfs/dbraw/zinc/74/17/26/991741726.db2.gz ALZGEEKJFHJTQX-UHFFFAOYSA-N -1 0 328.284 2.095 20 5 EEBDRM C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)CC(=O)[O-] ZINC001598536563 992846370 /nfs/dbraw/zinc/84/63/70/992846370.db2.gz HJGRZUQXQZHWQO-UHFFFAOYSA-N -1 0 334.332 2.330 20 5 EEBDRM C[C@@](NC(=O)c1ccc(F)cc1N)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593161265 993991976 /nfs/dbraw/zinc/99/19/76/993991976.db2.gz AQRXGDNBLYVRAB-INIZCTEOSA-N -1 0 347.302 2.046 20 5 EEBDRM CO[C@@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC001599077225 996903246 /nfs/dbraw/zinc/90/32/46/996903246.db2.gz IQHIDQPULUAJHD-KRWDZBQOSA-N -1 0 343.339 2.337 20 5 EEBDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cc([N+](=O)[O-])cn1C ZINC001599397005 997145661 /nfs/dbraw/zinc/14/56/61/997145661.db2.gz COXXFVHFIZLKCP-GQCTYLIASA-N -1 0 346.295 2.259 20 5 EEBDRM CO[C@H]1C[C@H](CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001599326574 997674872 /nfs/dbraw/zinc/67/48/72/997674872.db2.gz JYTSAFJPRCBYCX-HOMQSWHASA-N -1 0 337.332 2.148 20 5 EEBDRM COc1ccc(F)c(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001599581565 998540379 /nfs/dbraw/zinc/54/03/79/998540379.db2.gz UAUORIWIBPHRPO-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(Oc2cccc(CC(=O)[O-])c2)n1 ZINC001598988829 998718300 /nfs/dbraw/zinc/71/83/00/998718300.db2.gz VJFTWQNLNKIGKW-UHFFFAOYSA-N -1 0 332.268 2.196 20 5 EEBDRM C[C@H]1CC(=O)CC[C@@H]1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594197502 998764109 /nfs/dbraw/zinc/76/41/09/998764109.db2.gz SWPVEAQXXTZWOO-ZANVPECISA-N -1 0 335.312 2.342 20 5 EEBDRM COC(=O)c1cccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001598994612 998767666 /nfs/dbraw/zinc/76/76/66/998767666.db2.gz RSYFWPOASLTJEC-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594230936 998877173 /nfs/dbraw/zinc/87/71/73/998877173.db2.gz OZOPEIOFCMUYTJ-QWRGUYRKSA-N -1 0 336.344 2.319 20 5 EEBDRM Cc1nc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)sc1C ZINC000191605405 237261570 /nfs/dbraw/zinc/26/15/70/237261570.db2.gz UKZLBHRCEYYJNT-UHFFFAOYSA-N -1 0 335.341 2.296 20 5 EEBDRM CSCc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000438793745 242050927 /nfs/dbraw/zinc/05/09/27/242050927.db2.gz RFTBXCYHTUZMRT-UHFFFAOYSA-N -1 0 333.369 2.488 20 5 EEBDRM C[C@H](CN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000237571386 242696788 /nfs/dbraw/zinc/69/67/88/242696788.db2.gz HVBVHQCPIBZULL-SSDOTTSWSA-N -1 0 345.149 2.150 20 5 EEBDRM O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000456256211 244200676 /nfs/dbraw/zinc/20/06/76/244200676.db2.gz BLPMFEUJJXOFEE-SWLSCSKDSA-N -1 0 343.339 2.346 20 5 EEBDRM CCc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262903524 245241466 /nfs/dbraw/zinc/24/14/66/245241466.db2.gz IFRPJBSAHHXOLP-YDHLFZDLSA-N -1 0 332.356 2.483 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[C@H]1C(=O)[O-] ZINC000263006061 245294471 /nfs/dbraw/zinc/29/44/71/245294471.db2.gz PGZBXSJROTXEAY-GXSJLCMTSA-N -1 0 331.328 2.259 20 5 EEBDRM CCC[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000263129212 245337637 /nfs/dbraw/zinc/33/76/37/245337637.db2.gz HIHQKNWMJWQXGY-NSHDSACASA-N -1 0 346.343 2.011 20 5 EEBDRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492156074 246328436 /nfs/dbraw/zinc/32/84/36/246328436.db2.gz OJYGKZHWGQPOLD-SBJJXXPASA-N -1 0 348.355 2.090 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000266472606 248318009 /nfs/dbraw/zinc/31/80/09/248318009.db2.gz SRMUOBDDSZAAGO-UHFFFAOYSA-N -1 0 330.259 2.355 20 5 EEBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H](CCO)c1ccccc1 ZINC000158262864 255792169 /nfs/dbraw/zinc/79/21/69/255792169.db2.gz DSYQNACBHHSQCU-CQSZACIVSA-N -1 0 330.340 2.496 20 5 EEBDRM CN(C)C(=O)c1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000119160512 292242236 /nfs/dbraw/zinc/24/22/36/292242236.db2.gz CVGXCMTYNBOOAD-UHFFFAOYSA-N -1 0 347.302 2.394 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000262932177 152340673 /nfs/dbraw/zinc/34/06/73/152340673.db2.gz KFAPSKLCCNCPNX-VIFPVBQESA-N -1 0 326.374 2.500 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000263054400 152365839 /nfs/dbraw/zinc/36/58/39/152365839.db2.gz OCZBQWVGOJTPDB-OUJBWJOFSA-N -1 0 338.385 2.397 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263076498 152370247 /nfs/dbraw/zinc/37/02/47/152370247.db2.gz XBHOJQVRMCTANJ-GHMZBOCLSA-N -1 0 348.277 2.298 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000263181153 152395422 /nfs/dbraw/zinc/39/54/22/152395422.db2.gz FHFFQBBSGLBPLF-LLVKDONJSA-N -1 0 335.360 2.470 20 5 EEBDRM O=C(Nc1nnc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130383743 292372767 /nfs/dbraw/zinc/37/27/67/292372767.db2.gz QBXVOKSSFPGJBP-UHFFFAOYSA-N -1 0 334.235 2.423 20 5 EEBDRM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130413287 292373118 /nfs/dbraw/zinc/37/31/18/292373118.db2.gz RYTISEINJQDDOF-UHFFFAOYSA-N -1 0 343.217 2.260 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000263336231 160457480 /nfs/dbraw/zinc/45/74/80/160457480.db2.gz MNGWGLZVMZYWMX-MWLCHTKSSA-N -1 0 340.763 2.360 20 5 EEBDRM Cc1cccc2nc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])cn21 ZINC000130489681 292373990 /nfs/dbraw/zinc/37/39/90/292373990.db2.gz ZGMVTSPJLRYWCJ-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM Cc1ccc(-c2nsc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)s1 ZINC000131487304 292388419 /nfs/dbraw/zinc/38/84/19/292388419.db2.gz UYQIPHBNLSEINA-UHFFFAOYSA-N -1 0 336.358 2.459 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnn2ccncc12 ZINC000189383537 160141038 /nfs/dbraw/zinc/14/10/38/160141038.db2.gz WMOLZAQETYKYIV-UHFFFAOYSA-N -1 0 333.691 2.249 20 5 EEBDRM Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000237613901 160223247 /nfs/dbraw/zinc/22/32/47/160223247.db2.gz BOJUABDDTLDBCE-CQSZACIVSA-N -1 0 328.324 2.329 20 5 EEBDRM NC(=O)NCCCCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000351782140 161923152 /nfs/dbraw/zinc/92/31/52/161923152.db2.gz OZYIIKPQCAQOLX-UHFFFAOYSA-N -1 0 344.755 2.121 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160427150 273985758 /nfs/dbraw/zinc/98/57/58/273985758.db2.gz VOIQTZWZQABTMZ-AAEUAGOBSA-N -1 0 349.387 2.114 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000288312280 275045070 /nfs/dbraw/zinc/04/50/70/275045070.db2.gz HUKPCEVLPWWGFA-SNVBAGLBSA-N -1 0 342.270 2.353 20 5 EEBDRM CC1CCN(c2ccc(C(=O)N(C)CCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000262165450 281838462 /nfs/dbraw/zinc/83/84/62/281838462.db2.gz VRJXRGHVFLYTOT-UHFFFAOYSA-N -1 0 349.387 2.378 20 5 EEBDRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000293064251 293115823 /nfs/dbraw/zinc/11/58/23/293115823.db2.gz ALDHQAOZPVNCLP-QMMMGPOBSA-N -1 0 327.312 2.075 20 5 EEBDRM CC(C)(C[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1)C(N)=O ZINC000295586411 293761404 /nfs/dbraw/zinc/76/14/04/293761404.db2.gz GTBOKSDUTYYXLZ-LLVKDONJSA-N -1 0 349.387 2.054 20 5 EEBDRM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000151880307 301589371 /nfs/dbraw/zinc/58/93/71/301589371.db2.gz JMGKGWYKCPSNBS-UHFFFAOYSA-N -1 0 340.332 2.335 20 5 EEBDRM Cc1cc(S(=O)(=O)N[C@@H](C)CCCC(=O)[O-])cc([N+](=O)[O-])c1C ZINC000321698129 311597216 /nfs/dbraw/zinc/59/72/16/311597216.db2.gz NCXHBENZLAFVMJ-JTQLQIEISA-N -1 0 344.389 2.133 20 5 EEBDRM O=C(NCc1nccn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436709995 314990624 /nfs/dbraw/zinc/99/06/24/314990624.db2.gz QGDQYZUXIMLISN-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436737571 314993682 /nfs/dbraw/zinc/99/36/82/314993682.db2.gz JOMDWYKAXPFXSZ-UHFFFAOYSA-N -1 0 347.302 2.150 20 5 EEBDRM CCCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cn1 ZINC000436774785 314997269 /nfs/dbraw/zinc/99/72/69/314997269.db2.gz CLMZONAHFAVITP-UHFFFAOYSA-N -1 0 331.328 2.414 20 5 EEBDRM O=C(NC[C@H](O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436904037 315011119 /nfs/dbraw/zinc/01/11/19/315011119.db2.gz PEKMMXVHOBKUTO-CQSZACIVSA-N -1 0 330.340 2.024 20 5 EEBDRM COc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])cc1O ZINC000436964858 315017226 /nfs/dbraw/zinc/01/72/26/315017226.db2.gz HNKIKWORXVSYDX-UHFFFAOYSA-N -1 0 332.312 2.287 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000437002267 315022605 /nfs/dbraw/zinc/02/26/05/315022605.db2.gz PVMCRNMZBRCHSA-VXGBXAGGSA-N -1 0 349.387 2.114 20 5 EEBDRM COc1ccnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000089641919 441566270 /nfs/dbraw/zinc/56/62/70/441566270.db2.gz URNSARFZDWGYSZ-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM CCc1cccnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000443416117 315246620 /nfs/dbraw/zinc/24/66/20/315246620.db2.gz HOXMYECDNDNBBE-UHFFFAOYSA-N -1 0 325.321 2.492 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)C=Cc2ccccc2[N+](=O)[O-])s[n-]1 ZINC000493091745 315875572 /nfs/dbraw/zinc/87/55/72/315875572.db2.gz WWMHFXMBQITEFT-FUOZMLNRSA-N -1 0 334.357 2.228 20 5 EEBDRM C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000517028512 316631810 /nfs/dbraw/zinc/63/18/10/316631810.db2.gz GJTOMQBYMAELAJ-SKDRFNHKSA-N -1 0 342.373 2.150 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000517560566 316675120 /nfs/dbraw/zinc/67/51/20/316675120.db2.gz NFYBGPJZCLIISE-GVXVVHGQSA-N -1 0 335.360 2.408 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000520219322 316845023 /nfs/dbraw/zinc/84/50/23/316845023.db2.gz SUXZLWVNUUDSIV-UHFFFAOYSA-N -1 0 343.368 2.050 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000540675407 318077066 /nfs/dbraw/zinc/07/70/66/318077066.db2.gz ROWGNMIWJJJWJI-UHFFFAOYSA-N -1 0 330.252 2.274 20 5 EEBDRM CN(CC(C)(C)C)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000549017713 318425788 /nfs/dbraw/zinc/42/57/88/318425788.db2.gz YFYOQCVVLKRGEC-ZDUSSCGKSA-N -1 0 337.376 2.278 20 5 EEBDRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])C1 ZINC000564100083 319067576 /nfs/dbraw/zinc/06/75/76/319067576.db2.gz SFPKSNUMDIOLBI-YGOYTEALSA-N -1 0 342.373 2.045 20 5 EEBDRM Cc1cc(N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)ncc1[N+](=O)[O-] ZINC000565040900 319142848 /nfs/dbraw/zinc/14/28/48/319142848.db2.gz MAIZCFRTGQCPBW-DOMZBBRYSA-N -1 0 335.360 2.004 20 5 EEBDRM Cc1nn(C)c(C)c1CCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566291830 319269930 /nfs/dbraw/zinc/26/99/30/319269930.db2.gz VKRUTAACWRLOJG-UHFFFAOYSA-N -1 0 333.348 2.083 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(n3ccnc3)CC2)n1 ZINC000566293954 319271066 /nfs/dbraw/zinc/27/10/66/319271066.db2.gz LUOLAKFXQWMHLZ-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM CC1(C)CCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000566794440 319321854 /nfs/dbraw/zinc/32/18/54/319321854.db2.gz DNOPADVZDRUQIS-GFCCVEGCSA-N -1 0 342.373 2.150 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccc(C(=O)[O-])cc1OC ZINC000569460340 319578623 /nfs/dbraw/zinc/57/86/23/319578623.db2.gz HBXFBPOFBRFDTA-UHFFFAOYSA-N -1 0 348.359 2.481 20 5 EEBDRM CCC(C)(CC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000570329586 319655586 /nfs/dbraw/zinc/65/55/86/319655586.db2.gz RGIKSDOCWUMOKK-UHFFFAOYSA-N -1 0 330.362 2.150 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000574047019 319990908 /nfs/dbraw/zinc/99/09/08/319990908.db2.gz SJEOGBKNYHTEQN-UHFFFAOYSA-N -1 0 347.352 2.455 20 5 EEBDRM CCCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000576156094 320145942 /nfs/dbraw/zinc/14/59/42/320145942.db2.gz XHJJGLSUGCCFIX-UHFFFAOYSA-N -1 0 330.362 2.104 20 5 EEBDRM CCOc1cccc(N2CCC[C@](COC)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000576946964 320219076 /nfs/dbraw/zinc/21/90/76/320219076.db2.gz DZYPMKKOQRXLLY-INIZCTEOSA-N -1 0 338.360 2.311 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(CCO)CC2CCCCC2)n1 ZINC000577399739 320253789 /nfs/dbraw/zinc/25/37/89/320253789.db2.gz NWWGDZLXNFQUMN-UHFFFAOYSA-N -1 0 337.376 2.375 20 5 EEBDRM Cc1cc(N2CCO[C@H](CC(=O)[O-])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000579598484 323891388 /nfs/dbraw/zinc/89/13/88/323891388.db2.gz HOROXSKAADLCPA-LLVKDONJSA-N -1 0 331.328 2.131 20 5 EEBDRM CO[C@H](C)c1nc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cs1 ZINC000581610585 324289531 /nfs/dbraw/zinc/28/95/31/324289531.db2.gz VEQDSTPVVUCEDJ-SSDOTTSWSA-N -1 0 338.345 2.464 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000582219167 324404084 /nfs/dbraw/zinc/40/40/84/324404084.db2.gz NPSIGWHBVNDKPN-NSHDSACASA-N -1 0 335.360 2.175 20 5 EEBDRM Cc1c(CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000326449223 465039580 /nfs/dbraw/zinc/03/95/80/465039580.db2.gz NULGRPVUPHODII-ZDUSSCGKSA-N -1 0 337.376 2.449 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cn1 ZINC000351498234 465187154 /nfs/dbraw/zinc/18/71/54/465187154.db2.gz JEJMFTCJPKXWSB-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C(Nc1cccnc1-n1cccn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000136351485 463236179 /nfs/dbraw/zinc/23/61/79/463236179.db2.gz MIFJWQCOAMEIKB-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000159203213 463272822 /nfs/dbraw/zinc/27/28/22/463272822.db2.gz RHAUQAUVGNYNIT-UHFFFAOYSA-N -1 0 329.356 2.292 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000579359328 468348449 /nfs/dbraw/zinc/34/84/49/468348449.db2.gz KUCVTJXURGOKDD-MRXNPFEDSA-N -1 0 331.328 2.071 20 5 EEBDRM O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159420947 463285325 /nfs/dbraw/zinc/28/53/25/463285325.db2.gz GSPJAYHGQRHFCW-KBPBESRZSA-N -1 0 330.344 2.411 20 5 EEBDRM O=C(Nc1nncn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000152367218 463681493 /nfs/dbraw/zinc/68/14/93/463681493.db2.gz OGHVIGIUZAECOK-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C\C(C)(C)C)ccc1[N+](=O)[O-] ZINC000255778723 463747178 /nfs/dbraw/zinc/74/71/78/463747178.db2.gz WRIZXTZNWVJRGN-FPLPWBNLSA-N -1 0 326.374 2.310 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000276895842 463797030 /nfs/dbraw/zinc/79/70/30/463797030.db2.gz KVGZMRWTJZQQQW-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000492313534 468377901 /nfs/dbraw/zinc/37/79/01/468377901.db2.gz PFTXPVHDLWPDOX-NSHDSACASA-N -1 0 344.389 2.085 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CCCSC1 ZINC000287157534 463817293 /nfs/dbraw/zinc/81/72/93/463817293.db2.gz CVCAJTKRSUKDGK-VIFPVBQESA-N -1 0 334.394 2.155 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(C(=O)C(F)(F)F)CC1 ZINC000185714679 463866263 /nfs/dbraw/zinc/86/62/63/463866263.db2.gz YBQYCKHIZKNVLP-UHFFFAOYSA-N -1 0 346.261 2.284 20 5 EEBDRM COc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000261834800 463873272 /nfs/dbraw/zinc/87/32/72/463873272.db2.gz IHAKBSKKIXEKBH-UHFFFAOYSA-N -1 0 325.321 2.368 20 5 EEBDRM CCC[C@H](NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262189484 463968685 /nfs/dbraw/zinc/96/86/85/463968685.db2.gz UDNJQMKQPMUUSH-VIFPVBQESA-N -1 0 342.373 2.308 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCSCC(=O)[O-] ZINC000262346357 464006606 /nfs/dbraw/zinc/00/66/06/464006606.db2.gz ANIPLVRJACMHSV-SECBINFHSA-N -1 0 344.414 2.009 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225683805 464179480 /nfs/dbraw/zinc/17/94/80/464179480.db2.gz HSFPOQNEVNCTLG-WDZFZDKYSA-N -1 0 346.364 2.422 20 5 EEBDRM O=C(Cn1cnc(-c2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180764889 464389890 /nfs/dbraw/zinc/38/98/90/464389890.db2.gz GGKMNDLGVQLVMK-UHFFFAOYSA-N -1 0 339.311 2.198 20 5 EEBDRM CC[C@@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285051379 464438327 /nfs/dbraw/zinc/43/83/27/464438327.db2.gz CVOOURLJOSGOLP-ZETCQYMHSA-N -1 0 340.760 2.091 20 5 EEBDRM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000240744036 464447935 /nfs/dbraw/zinc/44/79/35/464447935.db2.gz HTZRHUBYAHGGPF-NILFDRSVSA-N -1 0 332.356 2.378 20 5 EEBDRM O=C(CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)OC1CCCCC1 ZINC000282499955 464842724 /nfs/dbraw/zinc/84/27/24/464842724.db2.gz NIRXVURWOSUNDD-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM CCC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nnn[n-]1 ZINC000268171932 464955077 /nfs/dbraw/zinc/95/50/77/464955077.db2.gz JYCZQWZSQVAEDR-SNVBAGLBSA-N -1 0 330.304 2.125 20 5 EEBDRM COC(=O)[C@]12CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C[C@@H]1CCCC2 ZINC000356343702 465325903 /nfs/dbraw/zinc/32/59/03/465325903.db2.gz BQBFQPRAILRJIV-YVEFUNNKSA-N -1 0 348.355 2.106 20 5 EEBDRM O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000339597499 465373349 /nfs/dbraw/zinc/37/33/49/465373349.db2.gz CPMKOPZQJYTIFO-UHFFFAOYSA-N -1 0 345.315 2.322 20 5 EEBDRM O=C(NCCc1c[nH]c2ncccc12)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000337571427 465441542 /nfs/dbraw/zinc/44/15/42/465441542.db2.gz BWNCONZECFQFBJ-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM O=C(N[C@@H](CO)c1c(F)cccc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356799245 465547994 /nfs/dbraw/zinc/54/79/94/465547994.db2.gz YEHGSZXMDPRDPU-ZDUSSCGKSA-N -1 0 338.266 2.042 20 5 EEBDRM COCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000337962142 465712213 /nfs/dbraw/zinc/71/22/13/465712213.db2.gz VUJOBRARKSJGDE-LBPRGKRZSA-N -1 0 348.396 2.463 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000299562572 465803659 /nfs/dbraw/zinc/80/36/59/465803659.db2.gz YMRQUUKNZLSKFT-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM COc1ccc2c(c1)OC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C2 ZINC000357576700 466146951 /nfs/dbraw/zinc/14/69/51/466146951.db2.gz CRSHAAMUOZSWFP-LBPRGKRZSA-N -1 0 344.323 2.043 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000323390330 466638082 /nfs/dbraw/zinc/63/80/82/466638082.db2.gz ILEWLSNSJKIDDI-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM Cc1nc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cn2n1 ZINC000408515475 466671660 /nfs/dbraw/zinc/67/16/60/466671660.db2.gz IZNCEAACNALYEG-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2COc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000364830555 466716465 /nfs/dbraw/zinc/71/64/65/466716465.db2.gz NMBVKNVFGFHLAB-ZDUSSCGKSA-N -1 0 342.307 2.027 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCOc2ccc(F)cc2C1 ZINC000428433176 467233057 /nfs/dbraw/zinc/23/30/57/467233057.db2.gz SMXPPOBCRQBXEQ-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM Cc1nn(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1C(F)F ZINC000414374992 467408485 /nfs/dbraw/zinc/40/84/85/467408485.db2.gz WDBULTVUBPFFEQ-UHFFFAOYSA-N -1 0 346.315 2.375 20 5 EEBDRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cn2n1 ZINC000430371761 467425136 /nfs/dbraw/zinc/42/51/36/467425136.db2.gz YHNGHEKHFASKJE-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)n1 ZINC000516070499 468011952 /nfs/dbraw/zinc/01/19/52/468011952.db2.gz HNIIELXXRUSXSV-JSGCOSHPSA-N -1 0 335.360 2.004 20 5 EEBDRM CC[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000520340900 468243363 /nfs/dbraw/zinc/24/33/63/468243363.db2.gz RVELGZQWTOCGJQ-NWDGAFQWSA-N -1 0 327.406 2.485 20 5 EEBDRM CCO[C@@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000582488432 468548158 /nfs/dbraw/zinc/54/81/58/468548158.db2.gz FOGSMMLZJBPGAT-CFVMTHIKSA-N -1 0 346.343 2.320 20 5 EEBDRM CCC(CC)(CCO)CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570216842 468605095 /nfs/dbraw/zinc/60/50/95/468605095.db2.gz UAQATVGHDLKVOL-UHFFFAOYSA-N -1 0 325.365 2.597 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cnn(CCF)c2)c(C)cc1[N+](=O)[O-] ZINC000600660207 468612387 /nfs/dbraw/zinc/61/23/87/468612387.db2.gz KAYGEQIAGWTTSE-UHFFFAOYSA-N -1 0 342.352 2.178 20 5 EEBDRM C[C@@H]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000592135450 468633261 /nfs/dbraw/zinc/63/32/61/468633261.db2.gz UGJSEANVKNAKNF-ZJUUUORDSA-N -1 0 342.373 2.150 20 5 EEBDRM COC(=O)[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[C@@H](C)CC1 ZINC000598104390 468766189 /nfs/dbraw/zinc/76/61/89/468766189.db2.gz JEHZJVRUWRCUPL-HZRBXJLLSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C(NCCOCC(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592749021 468773913 /nfs/dbraw/zinc/77/39/13/468773913.db2.gz YEBBIACDIFOBIT-UHFFFAOYSA-N -1 0 342.657 2.263 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000595246307 468791559 /nfs/dbraw/zinc/79/15/59/468791559.db2.gz ZBVAPFNPRMUUNV-AGIUHOORSA-N -1 0 335.360 2.039 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000595248109 468792893 /nfs/dbraw/zinc/79/28/93/468792893.db2.gz DMCOKBRNLZYBBO-ZDUSSCGKSA-N -1 0 345.355 2.167 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595252479 468793868 /nfs/dbraw/zinc/79/38/68/468793868.db2.gz ZVOVJDIVMJUJSD-RHSMWYFYSA-N -1 0 345.355 2.378 20 5 EEBDRM CC(C)Oc1ncccc1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592969363 468831263 /nfs/dbraw/zinc/83/12/63/468831263.db2.gz CKSXIZGPHVFHGO-UHFFFAOYSA-N -1 0 332.316 2.482 20 5 EEBDRM O=C([O-])c1cnc(N2CCN(c3sccc3[N+](=O)[O-])CC2)s1 ZINC000592981099 468833887 /nfs/dbraw/zinc/83/38/87/468833887.db2.gz XCYPUSPQWKQNDM-UHFFFAOYSA-N -1 0 340.386 2.138 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)CC1CC1 ZINC000584634903 468909164 /nfs/dbraw/zinc/90/91/64/468909164.db2.gz PWJPVZHDYLOEIV-ZDUSSCGKSA-N -1 0 345.355 2.167 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000598663703 468950327 /nfs/dbraw/zinc/95/03/27/468950327.db2.gz YDZKVKLCJHRIDP-SJCJKPOMSA-N -1 0 348.355 2.320 20 5 EEBDRM CCc1ncc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cn1 ZINC000598712731 468968494 /nfs/dbraw/zinc/96/84/94/468968494.db2.gz IZCUNVUDSICTSL-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM COC(=O)c1ccc2c(c1)CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C2 ZINC000610878941 469101539 /nfs/dbraw/zinc/10/15/39/469101539.db2.gz ZLKATGXZYGUESR-UHFFFAOYSA-N -1 0 342.307 2.243 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2ccc(O)cc2CC1 ZINC000614265314 469895421 /nfs/dbraw/zinc/89/54/21/469895421.db2.gz XWFYJPWVAGIZMQ-UHFFFAOYSA-N -1 0 328.324 2.247 20 5 EEBDRM C[C@H](c1ccccc1)[C@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000614270319 469896587 /nfs/dbraw/zinc/89/65/87/469896587.db2.gz JHPCVWJWLRNCKF-RISCZKNCSA-N -1 0 330.340 2.195 20 5 EEBDRM O=C(Nc1nnc(-c2ccccn2)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160096659 534477177 /nfs/dbraw/zinc/47/71/77/534477177.db2.gz GWKINSJEZLYJHL-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM Cc1c(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cccc1[N+](=O)[O-] ZINC000738286057 578008035 /nfs/dbraw/zinc/00/80/35/578008035.db2.gz KHCWBCUXEJDPJN-UHFFFAOYSA-N -1 0 333.252 2.234 20 5 EEBDRM O=C([O-])CCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000739712428 576735465 /nfs/dbraw/zinc/73/54/65/576735465.db2.gz UZTPNBQBLMPARS-UHFFFAOYSA-N -1 0 336.329 2.106 20 5 EEBDRM O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cccc([N+](=O)[O-])c1[O-] ZINC000775838687 577446973 /nfs/dbraw/zinc/44/69/73/577446973.db2.gz JLXMLXFMTPKTHI-LLVKDONJSA-N -1 0 336.344 2.106 20 5 EEBDRM Nc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1[N+](=O)[O-] ZINC000776602709 577464067 /nfs/dbraw/zinc/46/40/67/577464067.db2.gz YKIAGKNOALLZRW-UHFFFAOYSA-N -1 0 327.296 2.078 20 5 EEBDRM CON(C)C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000765485062 577501778 /nfs/dbraw/zinc/50/17/78/577501778.db2.gz OKVRDRDJNWTCAQ-UHFFFAOYSA-N -1 0 345.311 2.186 20 5 EEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768864432 577564568 /nfs/dbraw/zinc/56/45/68/577564568.db2.gz QUMBNWIHCLVSIE-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2cccc3c2COC3=O)ccc1[N+](=O)[O-] ZINC000769671362 577582118 /nfs/dbraw/zinc/58/21/18/577582118.db2.gz CQPRGPVNSGWOKZ-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM COc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000753702463 577791992 /nfs/dbraw/zinc/79/19/92/577791992.db2.gz KZBNHUUZJQRSLP-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM Cc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(N)c([N+](=O)[O-])c1 ZINC000753975327 577797759 /nfs/dbraw/zinc/79/77/59/577797759.db2.gz CNTPXIVZKXCDCC-UHFFFAOYSA-N -1 0 332.272 2.352 20 5 EEBDRM Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000738660494 578023119 /nfs/dbraw/zinc/02/31/19/578023119.db2.gz PXKQINZAAHSXBK-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])c1ccnc(Nc2cnn(CC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000738696014 578024125 /nfs/dbraw/zinc/02/41/25/578024125.db2.gz STGISMSDFOEYBP-UHFFFAOYSA-N -1 0 331.210 2.190 20 5 EEBDRM O=C([O-])c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000739325799 578048574 /nfs/dbraw/zinc/04/85/74/578048574.db2.gz XYVYEXVTNSVVBR-UHFFFAOYSA-N -1 0 329.264 2.333 20 5 EEBDRM O=C([O-])CCCc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000739713152 578065175 /nfs/dbraw/zinc/06/51/75/578065175.db2.gz YZILDRIGJSKJLH-UHFFFAOYSA-N -1 0 336.329 2.106 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)o1 ZINC000740132897 578082243 /nfs/dbraw/zinc/08/22/43/578082243.db2.gz IUDRKMDCKGAUNX-UHFFFAOYSA-N -1 0 349.251 2.014 20 5 EEBDRM O=C([O-])c1ccc(O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000740162228 578083407 /nfs/dbraw/zinc/08/34/07/578083407.db2.gz WSYACCKRKVSMNS-HNNXBMFYSA-N -1 0 342.307 2.477 20 5 EEBDRM O=C([O-])c1sccc1OS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000740289786 578089182 /nfs/dbraw/zinc/08/91/82/578089182.db2.gz NKLFWOXLYFEBAM-UHFFFAOYSA-N -1 0 343.338 2.263 20 5 EEBDRM O=C([O-])CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000819514002 597439546 /nfs/dbraw/zinc/43/95/46/597439546.db2.gz ZNWOURQTVYYGLS-UHFFFAOYSA-N -1 0 344.279 2.055 20 5 EEBDRM COC(=O)c1cc(C(=O)Nc2ccccc2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000000515934 598180703 /nfs/dbraw/zinc/18/07/03/598180703.db2.gz HSJFUBCHLAWWLQ-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM CCOc1ccc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000262272854 599922610 /nfs/dbraw/zinc/92/26/10/599922610.db2.gz YGSTZXRJKHJXAW-JTQLQIEISA-N -1 0 336.344 2.319 20 5 EEBDRM Cn1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1C(=O)[O-] ZINC000833049005 601322286 /nfs/dbraw/zinc/32/22/86/601322286.db2.gz IDNKIDQORPZYBF-UHFFFAOYSA-N -1 0 328.284 2.365 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000833175953 601379640 /nfs/dbraw/zinc/37/96/40/601379640.db2.gz NPCXHNSORUNHKV-NSHDSACASA-N -1 0 333.113 2.360 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000828393026 601693547 /nfs/dbraw/zinc/69/35/47/601693547.db2.gz FXWTUNGDTDXLTK-OIBJUYFYSA-N -1 0 346.261 2.406 20 5 EEBDRM Cc1cc(NCCCNC(=O)C2CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896675 602323497 /nfs/dbraw/zinc/32/34/97/602323497.db2.gz DNLALPRJWBKCQA-UHFFFAOYSA-N -1 0 335.360 2.320 20 5 EEBDRM COc1ccc(O)c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000832424965 602324594 /nfs/dbraw/zinc/32/45/94/602324594.db2.gz LWUZLOPSXDIQTQ-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM O=C([O-])c1cc(NC(=O)COc2ccccc2O)cc([N+](=O)[O-])c1 ZINC000833114413 604710889 /nfs/dbraw/zinc/71/08/89/604710889.db2.gz BCZYQLSFNLXHIR-UHFFFAOYSA-N -1 0 332.268 2.016 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N(CC(=O)[O-])Cc2ccccc2)c1[N+](=O)[O-] ZINC000827097543 604854963 /nfs/dbraw/zinc/85/49/63/604854963.db2.gz PSEVDYSGXFRPJQ-UHFFFAOYSA-N -1 0 346.343 2.168 20 5 EEBDRM CC(=O)N1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H](C)C1 ZINC000833393233 605061754 /nfs/dbraw/zinc/06/17/54/605061754.db2.gz HYAPLFCDDCZDQJ-IINYFYTJSA-N -1 0 335.360 2.270 20 5 EEBDRM CN(C(=O)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000833685460 605189797 /nfs/dbraw/zinc/18/97/97/605189797.db2.gz IEEKACLRQZLGNW-UHFFFAOYSA-N -1 0 335.360 2.496 20 5 EEBDRM O=C([O-])c1cc2ccccc2cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000192836963 693743961 /nfs/dbraw/zinc/74/39/61/693743961.db2.gz DUZJLBKOFQFDRP-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](Nc3ccc([N+](=O)[O-])c(C)c3)C2)c1[O-] ZINC001059604110 687345859 /nfs/dbraw/zinc/34/58/59/687345859.db2.gz SPSJLTNEDIQUOW-TXEJJXNPSA-N -1 0 345.359 2.013 20 5 EEBDRM O=[N+]([O-])c1ccc[nH]c1=NNS(=O)(=O)c1ccc2ccccc2c1 ZINC000125484500 688151549 /nfs/dbraw/zinc/15/15/49/688151549.db2.gz JZRHNNRXBWZTBV-UHFFFAOYSA-N -1 0 344.352 2.448 20 5 EEBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000879767751 1201248892 /nfs/dbraw/zinc/24/88/92/1201248892.db2.gz OLDNKMYOWUEZSN-ZDUSSCGKSA-N -1 0 349.284 2.377 20 5 EEBDRM O=c1[nH]cccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795303850 1212476281 /nfs/dbraw/zinc/47/62/81/1212476281.db2.gz DREMXZLXGNKKMW-UHFFFAOYSA-N -1 0 347.711 2.289 20 5 EEBDRM COC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000119912812 1229628672 /nfs/dbraw/zinc/62/86/72/1229628672.db2.gz IRNMRMKFAKBESU-JTQLQIEISA-N -1 0 346.386 2.224 20 5 EEBDRM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CO2 ZINC000120008843 1229649716 /nfs/dbraw/zinc/64/97/16/1229649716.db2.gz NLEBCQQHDBYNGK-LLVKDONJSA-N -1 0 340.382 2.377 20 5 EEBDRM Cc1cc(C)cc([C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000801527367 1235784968 /nfs/dbraw/zinc/78/49/68/1235784968.db2.gz AERSQMKYFCAZMG-MRXNPFEDSA-N -1 0 330.340 2.381 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000802865183 1238475518 /nfs/dbraw/zinc/47/55/18/1238475518.db2.gz PTYHAPIEFIHLNC-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC001226019891 1301234412 /nfs/dbraw/zinc/23/44/12/1301234412.db2.gz FJCFGQZRNNAEKH-RTBKNWGFSA-N -1 0 337.332 2.225 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC001226020779 1301235674 /nfs/dbraw/zinc/23/56/74/1301235674.db2.gz LLOCLKMAFSMJGR-JTQLQIEISA-N -1 0 347.327 2.277 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001226021143 1301235791 /nfs/dbraw/zinc/23/57/91/1301235791.db2.gz OBIZFSVNSDTVNA-KXUCPTDWSA-N -1 0 339.348 2.471 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(OC2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC001226022606 1301236055 /nfs/dbraw/zinc/23/60/55/1301236055.db2.gz YYUMCJOQTWFVOM-IUCAKERBSA-N -1 0 339.348 2.471 20 5 EEBDRM COC(=O)[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001226333101 1301361507 /nfs/dbraw/zinc/36/15/07/1301361507.db2.gz XQYZVWGTQYPZJN-JTQLQIEISA-N -1 0 339.691 2.037 20 5 EEBDRM O=C([O-])C[C@@H](O)C(=O)Oc1c2ccccc2c(O)c2ccccc21 ZINC001229026942 1302578558 /nfs/dbraw/zinc/57/85/58/1302578558.db2.gz NQVTVAOGIIGFTI-CQSZACIVSA-N -1 0 326.304 2.440 20 5 EEBDRM Cc1nc(O[C@@H](CC(C)C)C(=O)OC(C)C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229375500 1302752536 /nfs/dbraw/zinc/75/25/36/1302752536.db2.gz GIRTVIHQJZYKRU-JTQLQIEISA-N -1 0 327.337 2.144 20 5 EEBDRM CCOC(=O)C(F)(F)[C@H](CC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-] ZINC001231261269 1303708761 /nfs/dbraw/zinc/70/87/61/1303708761.db2.gz ZVOVHOXDOLIOFM-VIFPVBQESA-N -1 0 334.275 2.360 20 5 EEBDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000798900073 1305114545 /nfs/dbraw/zinc/11/45/45/1305114545.db2.gz KAOHRIVEFUBGQG-UHFFFAOYSA-N -1 0 348.380 2.092 20 5 EEBDRM COc1cncc(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)c1 ZINC001247987835 1310811453 /nfs/dbraw/zinc/81/14/53/1310811453.db2.gz RADQXOVNFGLEFE-UHFFFAOYSA-N -1 0 328.284 2.345 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000835028050 1314894371 /nfs/dbraw/zinc/89/43/71/1314894371.db2.gz ITMLVOSEKSSIRJ-UTUOFQBUSA-N -1 0 340.401 2.472 20 5 EEBDRM CC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000835232476 1314906063 /nfs/dbraw/zinc/90/60/63/1314906063.db2.gz VLEHJAOWZHLARW-GXSJLCMTSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C2(F)CCCC2)cccc1[N+](=O)[O-] ZINC000842404083 1315697952 /nfs/dbraw/zinc/69/79/52/1315697952.db2.gz NCUNXJLZHSGSQO-UHFFFAOYSA-N -1 0 344.364 2.132 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000842404926 1315698514 /nfs/dbraw/zinc/69/85/14/1315698514.db2.gz CDAAANFIARHYLK-LBPRGKRZSA-N -1 0 338.385 2.206 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(N)c(C)c1 ZINC001210446723 1325288543 /nfs/dbraw/zinc/28/85/43/1325288543.db2.gz OBISZTXCRUKJRH-UHFFFAOYSA-N -1 0 337.357 2.295 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC001608537737 1351712083 /nfs/dbraw/zinc/71/20/83/1351712083.db2.gz ZHUVGRPBRGHFQP-AEGPPILISA-N -1 0 332.356 2.315 20 5 EEBDRM Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C(=O)[O-])cc1C ZINC001600383821 1350036560 /nfs/dbraw/zinc/03/65/60/1350036560.db2.gz ILAKTZBLMHDTRR-CQSZACIVSA-N -1 0 331.328 2.106 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](O)CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001601768059 1350359598 /nfs/dbraw/zinc/35/95/98/1350359598.db2.gz GWTBTMCAZBUPEC-SCZZXKLOSA-N -1 0 349.170 2.169 20 5 EEBDRM COc1ccc(C(=O)[O-])cc1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC001607218037 1351451456 /nfs/dbraw/zinc/45/14/56/1351451456.db2.gz XPQNWZBQMFVQHY-UHFFFAOYSA-N -1 0 344.279 2.258 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001608623114 1351728208 /nfs/dbraw/zinc/72/82/08/1351728208.db2.gz LRMPVFJDBWCONH-IUCAKERBSA-N -1 0 338.272 2.299 20 5 EEBDRM O=C([O-])CC1(COC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC001608680880 1351740641 /nfs/dbraw/zinc/74/06/41/1351740641.db2.gz XAQQCHRVJGXMQP-UHFFFAOYSA-N -1 0 345.311 2.192 20 5 EEBDRM O=C([O-])CCNc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001608730841 1351750543 /nfs/dbraw/zinc/75/05/43/1351750543.db2.gz CHDAQNRLMFPAFS-UHFFFAOYSA-N -1 0 340.133 2.214 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2nc3ccccc3s2)c1=O ZINC001608864200 1351781305 /nfs/dbraw/zinc/78/13/05/1351781305.db2.gz MNAXTXCCBAUGBQ-UHFFFAOYSA-N -1 0 331.309 2.113 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Cn2cnc3cccc(F)c3c2=O)c1 ZINC001608914878 1351793378 /nfs/dbraw/zinc/79/33/78/1351793378.db2.gz OINSGUBNOUIGIR-UHFFFAOYSA-N -1 0 343.270 2.190 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2cnn(-c3ccccn3)c2)n1 ZINC001608915539 1351793472 /nfs/dbraw/zinc/79/34/72/1351793472.db2.gz BBIHAZLEOHZHBG-UHFFFAOYSA-N -1 0 326.272 2.012 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001608921465 1351794797 /nfs/dbraw/zinc/79/47/97/1351794797.db2.gz SJHQKOKZUVKQTG-KRWDZBQOSA-N -1 0 342.351 2.385 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319924961 1332798244 /nfs/dbraw/zinc/79/82/44/1332798244.db2.gz XVCMTQYQQKKULC-UHFFFAOYSA-N -1 0 329.268 2.365 20 5 EEBDRM O=C([O-])c1cnc(NCCOc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC001608978117 1351806552 /nfs/dbraw/zinc/80/65/52/1351806552.db2.gz YVKULRLXTLUTSB-UHFFFAOYSA-N -1 0 339.254 2.457 20 5 EEBDRM Cn1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])nc2ccccc21 ZINC001320408658 1332877448 /nfs/dbraw/zinc/87/74/48/1332877448.db2.gz MGRXDEIBKGJUEL-UHFFFAOYSA-N -1 0 340.339 2.160 20 5 EEBDRM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001321782924 1333157132 /nfs/dbraw/zinc/15/71/32/1333157132.db2.gz GRQQVNWTQQOITK-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM Cc1coc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC001325887685 1333985997 /nfs/dbraw/zinc/98/59/97/1333985997.db2.gz IXYLOVGZPQGTGY-UHFFFAOYSA-N -1 0 338.341 2.232 20 5 EEBDRM COC(=O)c1ccccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610219177 1352188923 /nfs/dbraw/zinc/18/89/23/1352188923.db2.gz JJMCBCOZYSQKDW-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM Cn1nc(C2CC2)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610614469 1352254206 /nfs/dbraw/zinc/25/42/06/1352254206.db2.gz XTAUPXSNGJNMRD-UHFFFAOYSA-N -1 0 330.300 2.156 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC001610762812 1352270541 /nfs/dbraw/zinc/27/05/41/1352270541.db2.gz INEUVYDDDGYUCO-UHFFFAOYSA-N -1 0 331.328 2.403 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC001610784601 1352273996 /nfs/dbraw/zinc/27/39/96/1352273996.db2.gz YVVYOGJDNQKCIJ-UHFFFAOYSA-N -1 0 329.312 2.021 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])on1 ZINC001610810752 1352278830 /nfs/dbraw/zinc/27/88/30/1352278830.db2.gz QAGIOHJZEBHPOO-UHFFFAOYSA-N -1 0 326.648 2.291 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCN(Cc3ccco3)CC2)c1 ZINC001610842522 1352284165 /nfs/dbraw/zinc/28/41/65/1352284165.db2.gz ZIRPSQXVWPQPLB-UHFFFAOYSA-N -1 0 345.355 2.204 20 5 EEBDRM O=[N+]([O-])c1cn([C@@H]2CCc3cc(Cl)ccc32)nc1-c1nnn[n-]1 ZINC001582805044 1344793065 /nfs/dbraw/zinc/79/30/65/1344793065.db2.gz WYHOOYKWEWLYRR-SNVBAGLBSA-N -1 0 331.723 2.160 20 5 EEBDRM Cc1c(CNC(=O)Nc2cccc(CC(=O)[O-])n2)cccc1[N+](=O)[O-] ZINC001600012353 1349954973 /nfs/dbraw/zinc/95/49/73/1349954973.db2.gz WLEJTXOWQDZHNM-UHFFFAOYSA-N -1 0 344.327 2.247 20 5 EEBDRM Cc1c(NC(=O)NCC2(O)CCCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043466 1349960873 /nfs/dbraw/zinc/96/08/73/1349960873.db2.gz QUWJKIBOIVHJRP-UHFFFAOYSA-N -1 0 337.332 2.028 20 5 EEBDRM Cc1c([N+](=O)[O-])ccc(=O)n1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001600059805 1349963558 /nfs/dbraw/zinc/96/35/58/1349963558.db2.gz YHHCECUHZRSAAW-UHFFFAOYSA-N -1 0 339.307 2.360 20 5 EEBDRM Cc1cc(C(=O)NCCc2ccccc2C(=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC001600094821 1349970244 /nfs/dbraw/zinc/97/02/44/1349970244.db2.gz RWZRGBQLINNKLW-UHFFFAOYSA-N -1 0 343.339 2.156 20 5 EEBDRM Cc1cc(N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)c(Cl)cc1[N+](=O)[O-] ZINC001600240766 1349999583 /nfs/dbraw/zinc/99/95/83/1349999583.db2.gz ZQMAEWVXAVSDRZ-JTQLQIEISA-N -1 0 327.768 2.009 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001600304864 1350015649 /nfs/dbraw/zinc/01/56/49/1350015649.db2.gz QMKDSPJBMAAPPB-LBPRGKRZSA-N -1 0 344.327 2.063 20 5 EEBDRM Cc1oc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2C)cc1C(=O)[O-] ZINC001600305062 1350015753 /nfs/dbraw/zinc/01/57/53/1350015753.db2.gz HIFDBUWCHLVJKZ-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM Cc1ccc(OS(=O)(=O)CC2(C(=O)[O-])CCCC2)c([N+](=O)[O-])c1 ZINC001600472329 1350060482 /nfs/dbraw/zinc/06/04/82/1350060482.db2.gz LHSQHFMPNFHGST-UHFFFAOYSA-N -1 0 343.357 2.257 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1C ZINC001600489459 1350063952 /nfs/dbraw/zinc/06/39/52/1350063952.db2.gz RKEPSLIPJOBBPB-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM Cc1nn(C)c(C)c1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001600771061 1350132396 /nfs/dbraw/zinc/13/23/96/1350132396.db2.gz XKGKOEQBJSFQPJ-UHFFFAOYSA-N -1 0 346.343 2.133 20 5 EEBDRM NC(=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001601144473 1350219889 /nfs/dbraw/zinc/21/98/89/1350219889.db2.gz HQDLNGGNDOJNSB-YUMQZZPRSA-N -1 0 341.751 2.402 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001601214564 1350233197 /nfs/dbraw/zinc/23/31/97/1350233197.db2.gz KZCMPOUDDLRFNY-UHFFFAOYSA-N -1 0 333.275 2.196 20 5 EEBDRM O=C([O-])C1(C(=O)COc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001601697562 1350341583 /nfs/dbraw/zinc/34/15/83/1350341583.db2.gz JQXFIUYZOSNJSP-UHFFFAOYSA-N -1 0 344.117 2.170 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001601826839 1350373518 /nfs/dbraw/zinc/37/35/18/1350373518.db2.gz FMZVYVLHHBMPMC-LBPRGKRZSA-N -1 0 341.323 2.204 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](Nc3ncnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC001601863852 1350384719 /nfs/dbraw/zinc/38/47/19/1350384719.db2.gz KBAFJAXUBBEAEL-GRLOZPDXSA-N -1 0 328.328 2.449 20 5 EEBDRM O=C([O-])/C=C\c1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC001601874638 1350387010 /nfs/dbraw/zinc/38/70/10/1350387010.db2.gz DPQGRXUDCYTXBH-VURMDHGXSA-N -1 0 330.296 2.258 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC001601889830 1350390770 /nfs/dbraw/zinc/39/07/70/1350390770.db2.gz CISATYASHJSWQY-SECBINFHSA-N -1 0 326.736 2.479 20 5 EEBDRM O=C([O-])CCC(=O)COC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001601969775 1350407726 /nfs/dbraw/zinc/40/77/26/1350407726.db2.gz ZKARLTDTKQXTNA-UHFFFAOYSA-N -1 0 349.217 2.204 20 5 EEBDRM O=C([O-])CCSCCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001602029222 1350421513 /nfs/dbraw/zinc/42/15/13/1350421513.db2.gz QGQSTSNCBOWZHX-UHFFFAOYSA-N -1 0 346.792 2.115 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC001602139579 1350448534 /nfs/dbraw/zinc/44/85/34/1350448534.db2.gz CNZMGDDMJLMZMR-UONOGXRCSA-N -1 0 341.323 2.359 20 5 EEBDRM O=C([O-])Cc1csc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001602152120 1350452519 /nfs/dbraw/zinc/45/25/19/1350452519.db2.gz MZTIDGJLBACHGY-UHFFFAOYSA-N -1 0 348.340 2.226 20 5 EEBDRM O=C([O-])Cc1occc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001602155524 1350453584 /nfs/dbraw/zinc/45/35/84/1350453584.db2.gz LZKORZQAUMYVMG-UHFFFAOYSA-N -1 0 338.703 2.398 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(F)cc2Cl)c1 ZINC001602299201 1350488298 /nfs/dbraw/zinc/48/82/98/1350488298.db2.gz LXCUOSGKPBBQJP-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3cccnc3)C2)n1 ZINC001602403771 1350511467 /nfs/dbraw/zinc/51/14/67/1350511467.db2.gz RMGNBPSRWWOBRA-LBPRGKRZSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1ccc2c(n1)CCCN2C(=O)c1ccccc1[N+](=O)[O-] ZINC001602425822 1350516168 /nfs/dbraw/zinc/51/61/68/1350516168.db2.gz BNNXKVBAXVGYBQ-UHFFFAOYSA-N -1 0 327.296 2.281 20 5 EEBDRM O=C([O-])c1ccccc1CCn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC001602466786 1350525756 /nfs/dbraw/zinc/52/57/56/1350525756.db2.gz BQICVIRWSDEVKU-UHFFFAOYSA-N -1 0 328.280 2.444 20 5 EEBDRM CC(=O)c1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)o1 ZINC001603108666 1350642311 /nfs/dbraw/zinc/64/23/11/1350642311.db2.gz BGLJERCIRDNWIC-INIZCTEOSA-N -1 0 346.295 2.120 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001604450772 1350940708 /nfs/dbraw/zinc/94/07/08/1350940708.db2.gz WKEOIIHILGTGNK-MRVPVSSYSA-N -1 0 348.340 2.202 20 5 EEBDRM CC[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001605027727 1351059935 /nfs/dbraw/zinc/05/99/35/1351059935.db2.gz FEHHHICLVKKGQF-VIFPVBQESA-N -1 0 344.751 2.244 20 5 EEBDRM Cc1cccc(CCNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1 ZINC001605913139 1351252481 /nfs/dbraw/zinc/25/24/81/1351252481.db2.gz DZLWGMQVYRPCRN-UHFFFAOYSA-N -1 0 325.332 2.133 20 5 EEBDRM COC(=O)c1ccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)o1 ZINC001606588635 1351328354 /nfs/dbraw/zinc/32/83/54/1351328354.db2.gz AKEFCLCSYOWKNF-MRXNPFEDSA-N -1 0 348.311 2.064 20 5 EEBDRM COC(CN(CCC(=O)[O-])Cc1cc(Cl)ccc1[N+](=O)[O-])OC ZINC001606674039 1351340854 /nfs/dbraw/zinc/34/08/54/1351340854.db2.gz CKUJAKLHVTZECF-UHFFFAOYSA-N -1 0 346.767 2.144 20 5 EEBDRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])C1 ZINC001606744015 1351350220 /nfs/dbraw/zinc/35/02/20/1351350220.db2.gz XXDLCZYPBQOFGG-XRNSZHNASA-N -1 0 342.373 2.045 20 5 EEBDRM COc1c(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001607009348 1351396598 /nfs/dbraw/zinc/39/65/98/1351396598.db2.gz ASPXDSQBGPXSGT-ZBEGNZNMSA-N -1 0 336.344 2.367 20 5 EEBDRM COc1cc([N+](=O)[O-])cnc1N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001607190991 1351446053 /nfs/dbraw/zinc/44/60/53/1351446053.db2.gz CTIGJHAEHPBLDX-UONOGXRCSA-N -1 0 343.339 2.303 20 5 EEBDRM COc1ccccc1C[C@H](CNc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC001607345556 1351479217 /nfs/dbraw/zinc/47/92/17/1351479217.db2.gz QBKHZBYIJVHRBQ-GFCCVEGCSA-N -1 0 331.328 2.354 20 5 EEBDRM C[S@](=O)C1(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001607385256 1351484874 /nfs/dbraw/zinc/48/48/74/1351484874.db2.gz OQPYPFWVIIMWQT-NRFANRHFSA-N -1 0 332.765 2.269 20 5 EEBDRM Cc1c(CC(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC001607526817 1351511071 /nfs/dbraw/zinc/51/10/71/1351511071.db2.gz QLBBUOVRBMXNFN-INIZCTEOSA-N -1 0 344.323 2.093 20 5 EEBDRM Cc1c(NC(=O)NCC2=CCOCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607545515 1351513642 /nfs/dbraw/zinc/51/36/42/1351513642.db2.gz RFNFHDCFDXLDCX-UHFFFAOYSA-N -1 0 335.316 2.070 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](CO)c2ccccc2C)n1 ZINC001607588951 1351520568 /nfs/dbraw/zinc/52/05/68/1351520568.db2.gz IWPIIIAAGXLUFC-ZDUSSCGKSA-N -1 0 331.328 2.450 20 5 EEBDRM Cc1cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)oc1C(=O)[O-] ZINC001607642656 1351531780 /nfs/dbraw/zinc/53/17/80/1351531780.db2.gz XBCFVISGNLJAIQ-UHFFFAOYSA-N -1 0 332.312 2.362 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)n1 ZINC001607710445 1351544348 /nfs/dbraw/zinc/54/43/48/1351544348.db2.gz ZBEXUVDGGZUVPI-INIZCTEOSA-N -1 0 329.312 2.028 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001607824695 1351566112 /nfs/dbraw/zinc/56/61/12/1351566112.db2.gz FPXPZOOGXFBPQS-NSHDSACASA-N -1 0 349.368 2.094 20 5 EEBDRM Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607935682 1351589110 /nfs/dbraw/zinc/58/91/10/1351589110.db2.gz VIXSNCZGCQHYOZ-ZETCQYMHSA-N -1 0 332.316 2.375 20 5 EEBDRM Nc1nccc([C@H]2CCCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC001608277836 1351661605 /nfs/dbraw/zinc/66/16/05/1351661605.db2.gz OSJSMOZRLVOBLF-NSHDSACASA-N -1 0 343.343 2.049 20 5 EEBDRM O=C([O-])[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC001608351636 1351676726 /nfs/dbraw/zinc/67/67/26/1351676726.db2.gz WXNWRLXZXPQVFY-CYBMUJFWSA-N -1 0 337.309 2.404 20 5 EEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1CCC1 ZINC000839060247 1372885869 /nfs/dbraw/zinc/88/58/69/1372885869.db2.gz YUYXNEJEFDLAAM-UHFFFAOYSA-N -1 0 341.389 2.022 20 5 EEBDRM CNc1c(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC001606308150 1404784053 /nfs/dbraw/zinc/78/40/53/1404784053.db2.gz FUUWRSKXJMOVMG-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCC(C)C ZINC000821602922 786818915 /nfs/dbraw/zinc/81/89/15/786818915.db2.gz ASUGAKDDUOKFGI-UHFFFAOYSA-N -1 0 343.405 2.268 20 5 EEBDRM CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000843954286 788753436 /nfs/dbraw/zinc/75/34/36/788753436.db2.gz KNSDOMNJIVASIM-SFHVURJKSA-N -1 0 342.351 2.206 20 5 EEBDRM CCC(=O)c1ccc(N2CC[C@](COC)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000844219133 788907348 /nfs/dbraw/zinc/90/73/48/788907348.db2.gz RRYBDARCVGJHNL-INIZCTEOSA-N -1 0 336.344 2.115 20 5 EEBDRM Cc1ccc(N2CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC000844206371 788924818 /nfs/dbraw/zinc/92/48/18/788924818.db2.gz HOQOOCRVTQNYDU-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000844885822 789431131 /nfs/dbraw/zinc/43/11/31/789431131.db2.gz UMHRXIZOPBFKBI-UHFFFAOYSA-N -1 0 342.373 2.248 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]n2c(C)nc3sccc3c2=O)c1 ZINC000172693138 791756540 /nfs/dbraw/zinc/75/65/40/791756540.db2.gz PQILTGDCSKFFAH-UHFFFAOYSA-N -1 0 344.352 2.367 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc3c(c2)C(=O)NCCO3)cc1[N+](=O)[O-] ZINC001174504104 797784892 /nfs/dbraw/zinc/78/48/92/797784892.db2.gz DUULJUZDVAEKOP-UHFFFAOYSA-N -1 0 343.295 2.159 20 5 EEBDRM O=C([O-])c1cc(Nc2cc3n(n2)CC2(CC2)CO3)cc([N+](=O)[O-])c1 ZINC001176678537 798525973 /nfs/dbraw/zinc/52/59/73/798525973.db2.gz SKWCNRNLSPKKKW-UHFFFAOYSA-N -1 0 330.300 2.406 20 5 EEBDRM Cc1coc(C)c1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000793121590 810137899 /nfs/dbraw/zinc/13/78/99/810137899.db2.gz FHXXDQCOCXFWFH-UHFFFAOYSA-N -1 0 338.341 2.232 20 5 EEBDRM CC1(C)CCC[C@@](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)(C(=O)[O-])C1 ZINC000864170474 939255034 /nfs/dbraw/zinc/25/50/34/939255034.db2.gz YCXOMKAYCGTCBB-INIZCTEOSA-N -1 0 335.360 2.330 20 5 EEBDRM O=C([O-])[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCc2ccccc21 ZINC000610846152 939808091 /nfs/dbraw/zinc/80/80/91/939808091.db2.gz MXPOEVMMNUHZCY-QGZVFWFLSA-N -1 0 326.308 2.251 20 5 EEBDRM O=C([O-])c1cccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)c1 ZINC001595248427 949521680 /nfs/dbraw/zinc/52/16/80/949521680.db2.gz UQNFWWOAMYISJB-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM C[C@H](C(=O)[O-])N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC001602821954 971632366 /nfs/dbraw/zinc/63/23/66/971632366.db2.gz XCQVOSBFJOUBRC-SECBINFHSA-N -1 0 332.316 2.082 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001589271724 953414537 /nfs/dbraw/zinc/41/45/37/953414537.db2.gz GBGTVZCKVJRUCS-UWVGGRQHSA-N -1 0 331.328 2.259 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC001589282272 953531972 /nfs/dbraw/zinc/53/19/72/953531972.db2.gz OMJVIADPDDXBBP-WDEREUQCSA-N -1 0 347.371 2.034 20 5 EEBDRM CNc1nccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC001593804388 954883257 /nfs/dbraw/zinc/88/32/57/954883257.db2.gz LWIQMOZEIRKWAX-UHFFFAOYSA-N -1 0 344.327 2.301 20 5 EEBDRM CC(C)C[C@@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001603010331 972061909 /nfs/dbraw/zinc/06/19/09/972061909.db2.gz FQGTWGAKSFURAA-VIFPVBQESA-N -1 0 343.767 2.307 20 5 EEBDRM Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(N)c([N+](=O)[O-])c1 ZINC000848454583 955745888 /nfs/dbraw/zinc/74/58/88/955745888.db2.gz QRMDMVLMNXUYDE-ZMLRMANQSA-N -1 0 349.387 2.351 20 5 EEBDRM CC(C)Oc1cc(C(=O)N(CC(=O)[O-])C2CCC2)ccc1[N+](=O)[O-] ZINC001603079988 972150406 /nfs/dbraw/zinc/15/04/06/972150406.db2.gz DJDPBHAWSDZHQS-UHFFFAOYSA-N -1 0 336.344 2.461 20 5 EEBDRM C[C@@H](OC(=O)C1(CC(=O)[O-])CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001589158465 956382609 /nfs/dbraw/zinc/38/26/09/956382609.db2.gz FQVWPISSHVISLP-LLVKDONJSA-N -1 0 337.328 2.471 20 5 EEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC1(C(=O)[O-])CCOCC1 ZINC001594675233 956653498 /nfs/dbraw/zinc/65/34/98/956653498.db2.gz RIGBSAVMUONCFD-UTCJRWHESA-N -1 0 335.312 2.033 20 5 EEBDRM C[C@H](CN(C)C(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000159006804 959105620 /nfs/dbraw/zinc/10/56/20/959105620.db2.gz WPPOTBXURAJJPE-SSDOTTSWSA-N -1 0 345.149 2.150 20 5 EEBDRM O=C([O-])CCCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159011494 959106173 /nfs/dbraw/zinc/10/61/73/959106173.db2.gz UTQCCSGUFIWGAH-UHFFFAOYSA-N -1 0 345.149 2.342 20 5 EEBDRM O=C([O-])Cc1ccccc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000167552603 959348331 /nfs/dbraw/zinc/34/83/31/959348331.db2.gz NOHRCJWGICLRIO-UHFFFAOYSA-N -1 0 340.133 2.229 20 5 EEBDRM CN(C)c1ccc(COC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC001573997590 961853128 /nfs/dbraw/zinc/85/31/28/961853128.db2.gz XFXWYHNVEGBKSL-ZDUSSCGKSA-N -1 0 338.360 2.451 20 5 EEBDRM CC(C)C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001588881445 962155365 /nfs/dbraw/zinc/15/53/65/962155365.db2.gz XCWYTWQXNYKZIN-LLVKDONJSA-N -1 0 330.287 2.302 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000852911819 969291835 /nfs/dbraw/zinc/29/18/35/969291835.db2.gz FLBOBIPXTFDNBW-ONGXEEELSA-N -1 0 333.344 2.169 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)[O-] ZINC001589031623 969910781 /nfs/dbraw/zinc/91/07/81/969910781.db2.gz XQNKVKBJOOYMPA-NSHDSACASA-N -1 0 338.363 2.474 20 5 EEBDRM O=C([O-])C1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCC1 ZINC001605931345 972862201 /nfs/dbraw/zinc/86/22/01/972862201.db2.gz ZBCNXYVOEVOUFW-UHFFFAOYSA-N -1 0 330.699 2.258 20 5 EEBDRM CCC(CC)(CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001603540119 973593590 /nfs/dbraw/zinc/59/35/90/973593590.db2.gz LMLDLGLCCOGUGQ-UHFFFAOYSA-N -1 0 342.323 2.363 20 5 EEBDRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001592202456 977218370 /nfs/dbraw/zinc/21/83/70/977218370.db2.gz CPSKXFLYAHPPEC-BIPIGHIPSA-N -1 0 343.133 2.116 20 5 EEBDRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001592396389 977958965 /nfs/dbraw/zinc/95/89/65/977958965.db2.gz UVFNPSZQGWYTES-SNVBAGLBSA-N -1 0 332.316 2.220 20 5 EEBDRM CCC[C@H](CC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001595587234 981540016 /nfs/dbraw/zinc/54/00/16/981540016.db2.gz GHRPNGSRKASHDB-VIFPVBQESA-N -1 0 330.362 2.150 20 5 EEBDRM CC[C@H](C)C[C@@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C(=O)[O-] ZINC001594952659 982672002 /nfs/dbraw/zinc/67/20/02/982672002.db2.gz KYUFQBOJPYALHB-GZMMTYOYSA-N -1 0 339.348 2.386 20 5 EEBDRM CCCN1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1=O ZINC001595909936 982999771 /nfs/dbraw/zinc/99/97/71/982999771.db2.gz VYASLBAHPXOGTR-UHFFFAOYSA-N -1 0 335.360 2.050 20 5 EEBDRM CCN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CC(F)(F)F ZINC001596362765 983842826 /nfs/dbraw/zinc/84/28/26/983842826.db2.gz OCLAREFINOEDFC-UHFFFAOYSA-N -1 0 336.266 2.442 20 5 EEBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC(=O)[O-] ZINC001599972129 986024833 /nfs/dbraw/zinc/02/48/33/986024833.db2.gz XQZMNGJLZMZPBZ-ZCFIWIBFSA-N -1 0 345.149 2.259 20 5 EEBDRM CCOCCOCCN(C)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001596934530 986039471 /nfs/dbraw/zinc/03/94/71/986039471.db2.gz NRRMIJKACMOCMN-UHFFFAOYSA-N -1 0 346.767 2.436 20 5 EEBDRM CC(=O)c1ccc2c(c1)CN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC001589306142 986072008 /nfs/dbraw/zinc/07/20/08/986072008.db2.gz RCQIMLRWRIYWRK-UHFFFAOYSA-N -1 0 327.296 2.411 20 5 EEBDRM C[C@@H](C(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1cccc([N+](=O)[O-])c1 ZINC001589542915 987256279 /nfs/dbraw/zinc/25/62/79/987256279.db2.gz ISUAAGHYNJOREW-SECBINFHSA-N -1 0 347.279 2.416 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC001589588566 987384321 /nfs/dbraw/zinc/38/43/21/987384321.db2.gz ANILAYYCCCPHDC-UHFFFAOYSA-N -1 0 346.133 2.416 20 5 EEBDRM CC[C@H](OC(=O)c1cc(C(=O)[O-])nn1C)c1cccc([N+](=O)[O-])c1 ZINC001597356594 987506220 /nfs/dbraw/zinc/50/62/20/987506220.db2.gz ZHPYBMPEDQMZRJ-ZDUSSCGKSA-N -1 0 333.300 2.335 20 5 EEBDRM CCc1ccc(OS(=O)(=O)CC2(C(=O)[O-])CCC2)c([N+](=O)[O-])c1 ZINC001597558002 988300741 /nfs/dbraw/zinc/30/07/41/988300741.db2.gz WUTUKSCWQVCSGF-UHFFFAOYSA-N -1 0 343.357 2.121 20 5 EEBDRM CC(C)(CS(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001590817544 990647649 /nfs/dbraw/zinc/64/76/49/990647649.db2.gz AXNXDCRPUGRTPN-UHFFFAOYSA-N -1 0 336.753 2.101 20 5 EEBDRM CN(c1ccccc1)[C@H]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001598545176 992938166 /nfs/dbraw/zinc/93/81/66/992938166.db2.gz VLSMWBSTSUSOLZ-ZDUSSCGKSA-N -1 0 342.355 2.403 20 5 EEBDRM CN1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])Cc2cccnc21 ZINC001598622418 994025474 /nfs/dbraw/zinc/02/54/74/994025474.db2.gz ITENCXPIDAEBDK-UHFFFAOYSA-N -1 0 328.328 2.144 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@@](F)(C(=O)[O-])C3)c2c1 ZINC001599637459 994309990 /nfs/dbraw/zinc/30/99/90/994309990.db2.gz CZUDSXWAIRQRDA-HNNXBMFYSA-N -1 0 335.291 2.155 20 5 EEBDRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2onc(C)c2[N+](=O)[O-])c1 ZINC001599651125 994501699 /nfs/dbraw/zinc/50/16/99/994501699.db2.gz STKOGYFWVVMYGB-CQSZACIVSA-N -1 0 335.316 2.158 20 5 EEBDRM CNc1ccc(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001598679323 994901016 /nfs/dbraw/zinc/90/10/16/994901016.db2.gz VBYJSZHEDOQXBH-HNNXBMFYSA-N -1 0 344.323 2.489 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001599385680 996940547 /nfs/dbraw/zinc/94/05/47/996940547.db2.gz CXVWOYHHGVPBIC-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM COc1cc(COC(=O)c2cccc(C(=O)[O-])n2)ccc1[N+](=O)[O-] ZINC001599418171 997546702 /nfs/dbraw/zinc/54/67/02/997546702.db2.gz XUUUTHUYNZWTBN-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM CC1=C(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C(=O)OC1(C)C ZINC001594093883 998059219 /nfs/dbraw/zinc/05/92/19/998059219.db2.gz QCXIKDZNMZFJDP-UHFFFAOYSA-N -1 0 348.311 2.192 20 5 EEBDRM COCC(=O)Nc1ccc(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001599142801 998161309 /nfs/dbraw/zinc/16/13/09/998161309.db2.gz LDXMVUYCDIZYJZ-UHFFFAOYSA-N -1 0 346.299 2.017 20 5 EEBDRM COC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)o1 ZINC001598958366 998286644 /nfs/dbraw/zinc/28/66/44/998286644.db2.gz FESPHDXZUNDWSF-UHFFFAOYSA-N -1 0 348.267 2.233 20 5 EEBDRM C[C@@H]1C(=O)CC[C@@H]1CC(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594125802 998303041 /nfs/dbraw/zinc/30/30/41/998303041.db2.gz MMJHMRZTOVZNLO-VHSXEESVSA-N -1 0 335.312 2.342 20 5 EEBDRM CO[C@H](CC(C)C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599044887 999143910 /nfs/dbraw/zinc/14/39/10/999143910.db2.gz FYLODNXKIZYEKK-CJNGLKHVSA-N -1 0 338.360 2.072 20 5 EEBDRM C[C@@H]1CCC[C@@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594352629 999335420 /nfs/dbraw/zinc/33/54/20/999335420.db2.gz KBGGXSPZZGWAHO-ZYHUDNBSSA-N -1 0 335.360 2.400 20 5 EEBDRM C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001594396897 999496200 /nfs/dbraw/zinc/49/62/00/999496200.db2.gz SGCGYCKZTFCGPK-YPMHNXCESA-N -1 0 336.344 2.075 20 5 EEBDRM O=C([O-])N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000739389714 578051704 /nfs/dbraw/zinc/05/17/04/578051704.db2.gz WJQHBJVMXHQENQ-MRVPVSSYSA-N -1 0 327.724 2.120 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000183969294 235274324 /nfs/dbraw/zinc/27/43/24/235274324.db2.gz HQCXZKRSIMXCIU-NWDGAFQWSA-N -1 0 335.360 2.014 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236719429 242333111 /nfs/dbraw/zinc/33/31/11/242333111.db2.gz CERVKNPJDHYECS-UHFFFAOYSA-N -1 0 335.360 2.130 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236634210 242301015 /nfs/dbraw/zinc/30/10/15/242301015.db2.gz WZIXBCUVKDOGQF-ZDUSSCGKSA-N -1 0 335.360 2.398 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000236818660 242369475 /nfs/dbraw/zinc/36/94/75/242369475.db2.gz ATHHELJLEMJCAM-UHFFFAOYSA-N -1 0 335.360 2.132 20 5 EEBDRM O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000456302556 244210537 /nfs/dbraw/zinc/21/05/37/244210537.db2.gz GMMMYUUTWVYAIZ-CJNGLKHVSA-N -1 0 343.339 2.346 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000263447075 245420424 /nfs/dbraw/zinc/42/04/24/245420424.db2.gz RFMUNMAAMYHGTQ-UHFFFAOYSA-N -1 0 332.715 2.251 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263571685 245454296 /nfs/dbraw/zinc/45/42/96/245454296.db2.gz JRWAJPRVBFRAJQ-LSDHHAIUSA-N -1 0 348.355 2.075 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493825725 246820934 /nfs/dbraw/zinc/82/09/34/246820934.db2.gz QOHXWRARRUVUTB-HIGLLMRHSA-N -1 0 336.319 2.459 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013259951 211539169 /nfs/dbraw/zinc/53/91/69/211539169.db2.gz SFVDJIZCZHLGMX-AWEZNQCLSA-N -1 0 344.323 2.029 20 5 EEBDRM CCn1nc(C)c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1C ZINC000266063157 248071371 /nfs/dbraw/zinc/07/13/71/248071371.db2.gz VQVBGXDBGKESRT-UHFFFAOYSA-N -1 0 342.352 2.368 20 5 EEBDRM Cc1cc([C@@](C)(O)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c(C)o1 ZINC000153766681 224155623 /nfs/dbraw/zinc/15/56/23/224155623.db2.gz KDAMMYAJTUDQFV-INIZCTEOSA-N -1 0 334.328 2.148 20 5 EEBDRM CN(Cc1nc2ccccc2n1C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179492393 255924039 /nfs/dbraw/zinc/92/40/39/255924039.db2.gz HEDTURDKFIDDLD-UHFFFAOYSA-N -1 0 340.339 2.459 20 5 EEBDRM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000271743170 256240073 /nfs/dbraw/zinc/24/00/73/256240073.db2.gz XLZUGACECYOSBR-GWCFXTLKSA-N -1 0 346.380 2.216 20 5 EEBDRM COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273477541 256299781 /nfs/dbraw/zinc/29/97/81/256299781.db2.gz JZOHZXHENIAVAK-MEDUHNTESA-N -1 0 336.344 2.152 20 5 EEBDRM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])[N-]OC[C@@H]1CCOC1 ZINC000276396542 256428649 /nfs/dbraw/zinc/42/86/49/256428649.db2.gz GIIGKAJILDESSG-SECBINFHSA-N -1 0 346.792 2.425 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000276862717 256474874 /nfs/dbraw/zinc/47/48/74/256474874.db2.gz GNNRMCXJROIUKI-UHFFFAOYSA-N -1 0 342.402 2.457 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000119666489 221370829 /nfs/dbraw/zinc/37/08/29/221370829.db2.gz RBZKKIOPVKTVCS-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cn2)cc1[N+](=O)[O-] ZINC000116602607 152057750 /nfs/dbraw/zinc/05/77/50/152057750.db2.gz GSQYYMVESGWKFU-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000128553952 292344031 /nfs/dbraw/zinc/34/40/31/292344031.db2.gz GPSNTZXGNNJMCG-GFCCVEGCSA-N -1 0 349.387 2.069 20 5 EEBDRM O=C(NCCn1cc([N+](=O)[O-])cn1)c1c([O-])cc(Cl)cc1Cl ZINC000129959409 292365664 /nfs/dbraw/zinc/36/56/64/292365664.db2.gz WBUKIMCNMPMOQH-UHFFFAOYSA-N -1 0 345.142 2.234 20 5 EEBDRM CN(CC(=O)Nc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130397048 292372572 /nfs/dbraw/zinc/37/25/72/292372572.db2.gz IYJJBYATIOHODB-UHFFFAOYSA-N -1 0 329.312 2.011 20 5 EEBDRM COc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC000328241636 160545742 /nfs/dbraw/zinc/54/57/42/160545742.db2.gz AHJDZAATENNDKY-CYBMUJFWSA-N -1 0 344.323 2.202 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ncn(-c2ccccc2)n1 ZINC000092546730 159222643 /nfs/dbraw/zinc/22/26/43/159222643.db2.gz YJOYLMOQYTWMMI-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1cncc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000120907929 159396392 /nfs/dbraw/zinc/39/63/92/159396392.db2.gz KDSXMBDTCPBFCJ-UHFFFAOYSA-N -1 0 341.776 2.430 20 5 EEBDRM CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000341959234 161027272 /nfs/dbraw/zinc/02/72/72/161027272.db2.gz FRQNLHTZKQTKMC-NSHDSACASA-N -1 0 347.412 2.133 20 5 EEBDRM COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000342429804 161064949 /nfs/dbraw/zinc/06/49/49/161064949.db2.gz GUDQJDGHMHDOEH-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cc1Cl ZINC000347309244 161442023 /nfs/dbraw/zinc/44/20/23/161442023.db2.gz NKXRBRULWGRFOJ-UHFFFAOYSA-N -1 0 327.749 2.174 20 5 EEBDRM Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000375944951 167231128 /nfs/dbraw/zinc/23/11/28/167231128.db2.gz BMSWEGDOWKXDIX-LLVKDONJSA-N -1 0 330.344 2.054 20 5 EEBDRM Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000275071841 269091366 /nfs/dbraw/zinc/09/13/66/269091366.db2.gz WTTKGFSHCFZUMU-GFCCVEGCSA-N -1 0 344.389 2.071 20 5 EEBDRM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000275413224 269114566 /nfs/dbraw/zinc/11/45/66/269114566.db2.gz ZZZNFSXGUHPNQA-ZDUSSCGKSA-N -1 0 344.389 2.023 20 5 EEBDRM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172182294 273990580 /nfs/dbraw/zinc/99/05/80/273990580.db2.gz YARAFXRMKBZDPU-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185729131 274022295 /nfs/dbraw/zinc/02/22/95/274022295.db2.gz IHWZGVUBNGMPEX-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CC(C)[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000271649869 274147040 /nfs/dbraw/zinc/14/70/40/274147040.db2.gz HVDHLNFKVNISPZ-MFKMUULPSA-N -1 0 346.380 2.216 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000325400206 295255128 /nfs/dbraw/zinc/25/51/28/295255128.db2.gz OUHPPUXFOIESHP-SNVBAGLBSA-N -1 0 339.348 2.472 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1[N+](=O)[O-] ZINC000189236401 301558450 /nfs/dbraw/zinc/55/84/50/301558450.db2.gz KTIBUCAQADDLSA-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000321331744 311596601 /nfs/dbraw/zinc/59/66/01/311596601.db2.gz PXQRVDNDNUYUAV-WDEREUQCSA-N -1 0 344.389 2.153 20 5 EEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000326711623 311604440 /nfs/dbraw/zinc/60/44/40/311604440.db2.gz CLNQDSRAJOCNHJ-CLOOOTJHSA-N -1 0 340.335 2.420 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)c2c(OCC)cccc2[N+](=O)[O-])[n-]1 ZINC000415648523 313160328 /nfs/dbraw/zinc/16/03/28/313160328.db2.gz OIXPFOKLMUMUSM-UHFFFAOYSA-N -1 0 348.315 2.146 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000416443085 313224670 /nfs/dbraw/zinc/22/46/70/313224670.db2.gz GPRMBTBWWXNCNV-APPDUMDISA-N -1 0 348.355 2.381 20 5 EEBDRM COc1cc(CCO)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436795201 314999096 /nfs/dbraw/zinc/99/90/96/314999096.db2.gz YFMXHGDUEIRNLW-UHFFFAOYSA-N -1 0 332.312 2.096 20 5 EEBDRM COC(=O)COc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436951412 315016154 /nfs/dbraw/zinc/01/61/54/315016154.db2.gz QHWHGIGGXXADLO-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM Cc1ccnc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C2CC2)n1 ZINC000436955606 315016236 /nfs/dbraw/zinc/01/62/36/315016236.db2.gz GYBMEKLOYJMVHU-AWEZNQCLSA-N -1 0 328.328 2.280 20 5 EEBDRM Cn1cnc2c1nccc2C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000436990173 315021096 /nfs/dbraw/zinc/02/10/96/315021096.db2.gz PGIUAXJQOCQHCC-UHFFFAOYSA-N -1 0 347.718 2.488 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](CCO)c1ccccc1 ZINC000436998268 315022073 /nfs/dbraw/zinc/02/20/73/315022073.db2.gz IOSOSRJJPWMRKV-HNNXBMFYSA-N -1 0 330.340 2.496 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c([N+](=O)[O-])n1 ZINC000442841422 315215080 /nfs/dbraw/zinc/21/50/80/315215080.db2.gz AFBZTIAOYUMOED-UHFFFAOYSA-N -1 0 336.329 2.358 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000538474851 318036718 /nfs/dbraw/zinc/03/67/18/318036718.db2.gz PEEHWYPEGQLNCJ-LBPRGKRZSA-N -1 0 335.291 2.018 20 5 EEBDRM CC(C)(C)OCC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000564711178 319103325 /nfs/dbraw/zinc/10/33/25/319103325.db2.gz LPEQWFSNZOBMGA-GFCCVEGCSA-N -1 0 339.348 2.375 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)n1 ZINC000565423528 319181285 /nfs/dbraw/zinc/18/12/85/319181285.db2.gz KQGMLRUULKGRIX-RTXFEEFZSA-N -1 0 335.360 2.126 20 5 EEBDRM CCC[C@H](CCO)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565952760 319230115 /nfs/dbraw/zinc/23/01/15/319230115.db2.gz GFMILBKWGZCLAM-SECBINFHSA-N -1 0 330.768 2.482 20 5 EEBDRM O=C([O-])c1ccnc(N[C@@H]2CCO[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000566293474 319270405 /nfs/dbraw/zinc/27/04/05/319270405.db2.gz UNWPUNWBNDGSMO-YMTOWFKASA-N -1 0 339.373 2.155 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)n1 ZINC000566293394 319270690 /nfs/dbraw/zinc/27/06/90/319270690.db2.gz PZPQXZCLPSSAJI-RYUDHWBXSA-N -1 0 337.376 2.230 20 5 EEBDRM Cc1cc(N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)ccc1[N+](=O)[O-] ZINC000566297176 319271453 /nfs/dbraw/zinc/27/14/53/319271453.db2.gz JUONBXWQMIKTEK-GFCCVEGCSA-N -1 0 331.332 2.034 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000566298443 319271673 /nfs/dbraw/zinc/27/16/73/319271673.db2.gz WQLZVRTZDJXVTF-DYVFJYSZSA-N -1 0 334.372 2.431 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC3(CCOCC3)[C@H]2C)n1 ZINC000566916870 319332603 /nfs/dbraw/zinc/33/26/03/319332603.db2.gz CGTZXNUCPVURJL-LLVKDONJSA-N -1 0 335.360 2.392 20 5 EEBDRM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1C(=O)[O-] ZINC000567587853 319393976 /nfs/dbraw/zinc/39/39/76/319393976.db2.gz ADPYNSOKAJYMEG-IONNQARKSA-N -1 0 344.165 2.299 20 5 EEBDRM COc1cccc(N2CCC(n3cc(C(=O)[O-])cn3)CC2)c1[N+](=O)[O-] ZINC000568516559 319495918 /nfs/dbraw/zinc/49/59/18/319495918.db2.gz GFSZOMDASYQHIA-UHFFFAOYSA-N -1 0 346.343 2.340 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000574572992 320037798 /nfs/dbraw/zinc/03/77/98/320037798.db2.gz OYGMQAMRHWFXKE-GXSJLCMTSA-N -1 0 337.332 2.178 20 5 EEBDRM O=C([O-])c1cc(NCCCc2nnc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000580315843 324038811 /nfs/dbraw/zinc/03/88/11/324038811.db2.gz PYPUUHBXDYJIPO-UHFFFAOYSA-N -1 0 345.359 2.266 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000582003293 324359547 /nfs/dbraw/zinc/35/95/47/324359547.db2.gz DWHWRFUUCBOQSB-ZWNOBZJWSA-N -1 0 347.371 2.352 20 5 EEBDRM Cc1cc(NCCCOC[C@@H]2CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582303958 324426113 /nfs/dbraw/zinc/42/61/13/324426113.db2.gz VCOPPRCNQGLSAG-LBPRGKRZSA-N -1 0 338.360 2.457 20 5 EEBDRM CN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000582303931 324426137 /nfs/dbraw/zinc/42/61/37/324426137.db2.gz TXDLRVBOLVWZST-CYBMUJFWSA-N -1 0 331.328 2.248 20 5 EEBDRM Cc1cccc(N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1[N+](=O)[O-] ZINC000583568018 324690345 /nfs/dbraw/zinc/69/03/45/324690345.db2.gz UFSUQJMNZDNJGZ-LLVKDONJSA-N -1 0 331.332 2.034 20 5 EEBDRM C[C@H](CC(=O)[O-])N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000584124954 324802995 /nfs/dbraw/zinc/80/29/95/324802995.db2.gz WMZORFDVAWSDHN-LLVKDONJSA-N -1 0 335.360 2.130 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000336877917 465071383 /nfs/dbraw/zinc/07/13/83/465071383.db2.gz ZBLFCMCLCKXWOS-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nnc3ccccn32)c1 ZINC000351618203 465255122 /nfs/dbraw/zinc/25/51/22/465255122.db2.gz FOKRHZZYCSSLNM-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM CCCC(=O)N1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089540970 462690429 /nfs/dbraw/zinc/69/04/29/462690429.db2.gz VLVCDRAIBSAWJG-ZDUSSCGKSA-N -1 0 335.360 2.420 20 5 EEBDRM Cc1c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000064873035 462725952 /nfs/dbraw/zinc/72/59/52/462725952.db2.gz IJCIKEVTXIEYST-CQSZACIVSA-N -1 0 328.324 2.329 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC ZINC000047215259 462756364 /nfs/dbraw/zinc/75/63/64/462756364.db2.gz SFRDMUUSIIURJG-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000014869535 462934267 /nfs/dbraw/zinc/93/42/67/462934267.db2.gz WBVCOJPGEARUEE-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM Cn1cc(-c2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cs2)cn1 ZINC000092546862 462960638 /nfs/dbraw/zinc/96/06/38/462960638.db2.gz APMITZJQZFNFOM-UHFFFAOYSA-N -1 0 345.340 2.410 20 5 EEBDRM CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000156890617 463079256 /nfs/dbraw/zinc/07/92/56/463079256.db2.gz JROBJSWENQWIQD-LYSPQLLHSA-N -1 0 340.401 2.110 20 5 EEBDRM CCc1ncsc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000161981922 463474700 /nfs/dbraw/zinc/47/47/00/463474700.db2.gz NOZAJFULWWBXCV-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000125534227 463554622 /nfs/dbraw/zinc/55/46/22/463554622.db2.gz GQAUZUZUESCGKO-OAHLLOKOSA-N -1 0 328.324 2.231 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000083955342 463568214 /nfs/dbraw/zinc/56/82/14/463568214.db2.gz PADBMSQFAVGTHY-UHFFFAOYSA-N -1 0 342.402 2.426 20 5 EEBDRM O=C([O-])CN(Cc1ccccc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000579547079 468372220 /nfs/dbraw/zinc/37/22/20/468372220.db2.gz NJVJSKWLAKFXFT-UHFFFAOYSA-N -1 0 343.339 2.391 20 5 EEBDRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000194461858 463866672 /nfs/dbraw/zinc/86/66/72/463866672.db2.gz XUMBMKDOUPJXDS-CMPLNLGQSA-N -1 0 333.344 2.152 20 5 EEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c1 ZINC000194624765 463897907 /nfs/dbraw/zinc/89/79/07/463897907.db2.gz YJEHBEALENFJQK-UHFFFAOYSA-N -1 0 346.324 2.446 20 5 EEBDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000194795100 463929430 /nfs/dbraw/zinc/92/94/30/463929430.db2.gz UYIFOUWLGVCARY-UHFFFAOYSA-N -1 0 326.334 2.076 20 5 EEBDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000194794660 463929662 /nfs/dbraw/zinc/92/96/62/463929662.db2.gz OIPJGQMBAVQISB-UHFFFAOYSA-N -1 0 344.324 2.215 20 5 EEBDRM Cc1ccc(NCCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc1 ZINC000269280494 463939147 /nfs/dbraw/zinc/93/91/47/463939147.db2.gz LGJUQVWHSGFAAG-UHFFFAOYSA-N -1 0 330.344 2.236 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000262441094 464025385 /nfs/dbraw/zinc/02/53/85/464025385.db2.gz NXAWQRMMMPHQAF-UHFFFAOYSA-N -1 0 345.355 2.263 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263208954 464063643 /nfs/dbraw/zinc/06/36/43/464063643.db2.gz ILPIWKHEHBUONB-BDJLRTHQSA-N -1 0 335.360 2.470 20 5 EEBDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000181060044 464440720 /nfs/dbraw/zinc/44/07/20/464440720.db2.gz PZAGMYIHRZUQLF-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183352520 464853678 /nfs/dbraw/zinc/85/36/78/464853678.db2.gz NOEOLSBBWFMVOB-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM CCn1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C1CC1 ZINC000267311970 464925271 /nfs/dbraw/zinc/92/52/71/464925271.db2.gz AWCJUCWKDPLMSP-UHFFFAOYSA-N -1 0 336.373 2.489 20 5 EEBDRM O=C(CC1CCCCC1)NCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184699443 465019973 /nfs/dbraw/zinc/01/99/73/465019973.db2.gz SAEAZYVSSDXMKL-UHFFFAOYSA-N -1 0 349.387 2.117 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000342577858 465331488 /nfs/dbraw/zinc/33/14/88/465331488.db2.gz VWLMMEBRTKBEHG-LBPRGKRZSA-N -1 0 338.363 2.086 20 5 EEBDRM COC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342949848 465407796 /nfs/dbraw/zinc/40/77/96/465407796.db2.gz GWTLUYCUBUAGLP-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM COC(=O)c1cccc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356758786 465522785 /nfs/dbraw/zinc/52/27/85/465522785.db2.gz CKXJLIWHUZQWCZ-UHFFFAOYSA-N -1 0 344.323 2.060 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000348420300 465595978 /nfs/dbraw/zinc/59/59/78/465595978.db2.gz KKMQBSCDIUETEY-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000348483257 465628612 /nfs/dbraw/zinc/62/86/12/465628612.db2.gz YIZVSPUITQNLPN-UHFFFAOYSA-N -1 0 336.325 2.118 20 5 EEBDRM C[C@@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000362634198 465899083 /nfs/dbraw/zinc/89/90/83/465899083.db2.gz DKKIREXPGZFDPO-NEPJUHHUSA-N -1 0 349.387 2.282 20 5 EEBDRM Cc1ccc(-n2cnnc2)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000357418249 466019561 /nfs/dbraw/zinc/01/95/61/466019561.db2.gz WHNJWAXRSFJJPK-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM COc1cccc(COCCNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436735486 467552819 /nfs/dbraw/zinc/55/28/19/467552819.db2.gz CKKVNNLQJBIXLP-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM C[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000493697826 467966263 /nfs/dbraw/zinc/96/62/63/467966263.db2.gz VSPDMNHSWOWSEA-ZRIUIHNJSA-N -1 0 336.319 2.316 20 5 EEBDRM COc1ccc(CCCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000575049260 468135571 /nfs/dbraw/zinc/13/55/71/468135571.db2.gz ZHIQCKNWCRDGQJ-UHFFFAOYSA-N -1 0 345.355 3.050 20 5 EEBDRM O=C(N[C@@H](CO)C1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567954823 468244654 /nfs/dbraw/zinc/24/46/54/468244654.db2.gz NUKUDIWPSPNZNF-NSHDSACASA-N -1 0 328.752 2.235 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c[nH]cn2)c(C(F)(F)F)c1 ZINC000582333453 468522866 /nfs/dbraw/zinc/52/28/66/468522866.db2.gz PIRNWMNOBOHJIT-UHFFFAOYSA-N -1 0 336.251 2.138 20 5 EEBDRM Cc1cc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582668726 468575502 /nfs/dbraw/zinc/57/55/02/468575502.db2.gz GZCBVWPFPLQQGE-QPUJVOFHSA-N -1 0 348.277 2.351 20 5 EEBDRM O=C([O-])c1ccc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000582725236 468585084 /nfs/dbraw/zinc/58/50/84/468585084.db2.gz JJJWQBPAAPEWRK-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594461994 468596452 /nfs/dbraw/zinc/59/64/52/468596452.db2.gz LRFZOMZIXQPYKV-SDDRHHMPSA-N -1 0 349.387 2.258 20 5 EEBDRM CC(C)[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000594467474 468596921 /nfs/dbraw/zinc/59/69/21/468596921.db2.gz KZPXXKOIQAZPNN-AWEZNQCLSA-N -1 0 337.376 2.260 20 5 EEBDRM O=C([O-])CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000583601617 468721172 /nfs/dbraw/zinc/72/11/72/468721172.db2.gz NOVJGZMTNNYXCH-CYBMUJFWSA-N -1 0 329.312 2.326 20 5 EEBDRM COc1cc(C)ccc1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583815110 468760243 /nfs/dbraw/zinc/76/02/43/468760243.db2.gz YVIQSQZGEIXTEL-UHFFFAOYSA-N -1 0 331.328 2.926 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@H]2CCN(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000592976902 468832869 /nfs/dbraw/zinc/83/28/69/468832869.db2.gz IFLAIPXMVKHQTQ-ZDUSSCGKSA-N -1 0 342.355 2.308 20 5 EEBDRM CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598485581 468884346 /nfs/dbraw/zinc/88/43/46/468884346.db2.gz REMJQCHPHFVHAE-CZUORRHYSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C(NC[C@H]1CCN1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598510195 468894272 /nfs/dbraw/zinc/89/42/72/468894272.db2.gz OETXHCWRTISRMO-OAHLLOKOSA-N -1 0 341.367 2.305 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598658789 468948521 /nfs/dbraw/zinc/94/85/21/468948521.db2.gz LYWIOUZOBRKLJB-AWEZNQCLSA-N -1 0 335.360 2.253 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000572875414 469013432 /nfs/dbraw/zinc/01/34/32/469013432.db2.gz HGGYWVCRGPCROP-AWEZNQCLSA-N -1 0 344.389 2.071 20 5 EEBDRM Cc1nn(C)c2ncc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc12 ZINC000611289586 469220248 /nfs/dbraw/zinc/22/02/48/469220248.db2.gz QGIVEGCXOOLEOR-UHFFFAOYSA-N -1 0 327.300 2.143 20 5 EEBDRM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611559632 469279400 /nfs/dbraw/zinc/27/94/00/469279400.db2.gz UABCTDPWGOYDIJ-BDJLRTHQSA-N -1 0 330.340 2.195 20 5 EEBDRM COc1ccc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000609145266 469896226 /nfs/dbraw/zinc/89/62/26/469896226.db2.gz HCNAGOGORAYDIJ-SFYZADRCSA-N -1 0 328.346 2.137 20 5 EEBDRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc([N+](=O)[O-])s1 ZINC000609146932 469896389 /nfs/dbraw/zinc/89/63/89/469896389.db2.gz IXSWCPPSKPFNSI-UHFFFAOYSA-N -1 0 332.297 2.252 20 5 EEBDRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609447438 469928329 /nfs/dbraw/zinc/92/83/29/469928329.db2.gz KZHAURDTFQMNKJ-UHFFFAOYSA-N -1 0 344.258 2.330 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000592130706 485597512 /nfs/dbraw/zinc/59/75/12/485597512.db2.gz JQZFPQBJPWQTLB-VIFPVBQESA-N -1 0 342.373 2.022 20 5 EEBDRM CC(C)(C)c1nc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])no1 ZINC000183404373 526872819 /nfs/dbraw/zinc/87/28/19/526872819.db2.gz NAZXYTCEMGPXPJ-UHFFFAOYSA-N -1 0 340.361 2.217 20 5 EEBDRM C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-] ZINC000737707013 576486454 /nfs/dbraw/zinc/48/64/54/576486454.db2.gz PPKSSEZREWFHOQ-LLVKDONJSA-N -1 0 325.320 2.171 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000731546576 577106228 /nfs/dbraw/zinc/10/62/28/577106228.db2.gz KJZZWTPWUJXIII-UHFFFAOYSA-N -1 0 344.345 2.223 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]N1CCc2ccccc2C1=O ZINC000772538344 577280843 /nfs/dbraw/zinc/28/08/43/577280843.db2.gz PHTFSBRKIQGPHU-UHFFFAOYSA-N -1 0 325.324 2.247 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[N-]OC1CCOCC1 ZINC000773929137 577373528 /nfs/dbraw/zinc/37/35/28/577373528.db2.gz AEELMAPYKYDKPR-VIFPVBQESA-N -1 0 344.751 2.242 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000776533632 577461563 /nfs/dbraw/zinc/46/15/63/577461563.db2.gz OCCNEODNZCFFLL-WCQYABFASA-N -1 0 340.401 2.020 20 5 EEBDRM Nc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000776650234 577465430 /nfs/dbraw/zinc/46/54/30/577465430.db2.gz GEYNACZTNHTABF-ZDUSSCGKSA-N -1 0 349.730 2.386 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](O)c1cccc(F)c1 ZINC000777535220 577480767 /nfs/dbraw/zinc/48/07/67/577480767.db2.gz WZFISYRXUWEPEJ-PSLIRLAXSA-N -1 0 334.303 2.291 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1F ZINC000767200606 577532298 /nfs/dbraw/zinc/53/22/98/577532298.db2.gz DIQUJFAOHLNELR-UHFFFAOYSA-N -1 0 333.275 2.483 20 5 EEBDRM Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)c(=O)n1C ZINC000771283032 577613079 /nfs/dbraw/zinc/61/30/79/577613079.db2.gz PPFQMNJYJSXPRT-UHFFFAOYSA-N -1 0 328.284 2.025 20 5 EEBDRM Cc1cc(Cl)c(S(=O)(=O)NCc2cccn2C)cc1[N+](=O)[O-] ZINC000752251892 577767968 /nfs/dbraw/zinc/76/79/68/577767968.db2.gz COMOKTRQZIWHQB-UHFFFAOYSA-N -1 0 343.792 2.374 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000757596166 577860920 /nfs/dbraw/zinc/86/09/20/577860920.db2.gz KSAOLIHNPNJPBA-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccco1 ZINC000744041689 577892499 /nfs/dbraw/zinc/89/24/99/577892499.db2.gz YTRAXMOWVBKQCS-JTQLQIEISA-N -1 0 338.341 2.105 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CC1(Cl)Cl ZINC000746177872 577923533 /nfs/dbraw/zinc/92/35/33/577923533.db2.gz SSBJNIBHTNAJAX-LURJTMIESA-N -1 0 343.163 2.206 20 5 EEBDRM Cc1cccc(C(=O)OCc2noc(CCCC(=O)[O-])n2)c1[N+](=O)[O-] ZINC000738693606 578023981 /nfs/dbraw/zinc/02/39/81/578023981.db2.gz SXCMAXNNLMLDAZ-UHFFFAOYSA-N -1 0 349.299 2.051 20 5 EEBDRM O=C([O-])[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000739337238 578048953 /nfs/dbraw/zinc/04/89/53/578048953.db2.gz PDMMCVIVGJPZQC-OAHLLOKOSA-N -1 0 349.270 2.482 20 5 EEBDRM O=C([O-])c1cc(F)ccc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000740078895 578079977 /nfs/dbraw/zinc/07/99/77/578079977.db2.gz WPSAPLSVOKYPSQ-UHFFFAOYSA-N -1 0 344.096 2.439 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2COc3ccccc3O2)cc([N+](=O)[O-])c1 ZINC000740082061 578080115 /nfs/dbraw/zinc/08/01/15/578080115.db2.gz UKJUTQFTZBGCAL-AWEZNQCLSA-N -1 0 344.279 2.072 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N(CC(=O)[O-])C(C)C)cc1SC ZINC000737903505 578162329 /nfs/dbraw/zinc/16/23/29/578162329.db2.gz YKIPQAXBFWVLRX-UHFFFAOYSA-N -1 0 342.373 2.261 20 5 EEBDRM CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)[O-] ZINC000736404309 578201516 /nfs/dbraw/zinc/20/15/16/578201516.db2.gz APTRWNHUEDSBST-NSHDSACASA-N -1 0 337.376 2.138 20 5 EEBDRM CCc1ccc(OCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000737267743 578247152 /nfs/dbraw/zinc/24/71/52/578247152.db2.gz IBDNKVSESZMTFT-MEBBXXQBSA-N -1 0 338.360 2.152 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000819365129 597104203 /nfs/dbraw/zinc/10/42/03/597104203.db2.gz STUSTNFYUWUAPX-SNVBAGLBSA-N -1 0 331.328 2.403 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000833115888 600912037 /nfs/dbraw/zinc/91/20/37/600912037.db2.gz HCNLNAGBBLNDPR-AWEZNQCLSA-N -1 0 347.352 2.024 20 5 EEBDRM COc1ncc(C)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832654636 601060484 /nfs/dbraw/zinc/06/04/84/601060484.db2.gz SMYDXPYRLAKHOP-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000828169825 601680012 /nfs/dbraw/zinc/68/00/12/601680012.db2.gz XBCRLVRTMDORJI-MXWKQRLJSA-N -1 0 335.360 2.032 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000833054653 601880214 /nfs/dbraw/zinc/88/02/14/601880214.db2.gz OZCZSXFFJGVWCP-UHFFFAOYSA-N -1 0 336.325 2.329 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000833295867 604278690 /nfs/dbraw/zinc/27/86/90/604278690.db2.gz HXADSMMTVLKLIU-SUMWQHHRSA-N -1 0 348.355 2.060 20 5 EEBDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000134063161 676009655 /nfs/dbraw/zinc/00/96/55/676009655.db2.gz WKAPQRKLOGIHEJ-UHFFFAOYSA-N -1 0 330.753 2.389 20 5 EEBDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000176715973 678536353 /nfs/dbraw/zinc/53/63/53/678536353.db2.gz BBMGZRPMMLNRNL-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000153006043 683693486 /nfs/dbraw/zinc/69/34/86/683693486.db2.gz MOZLPIYNDFEDJW-UHFFFAOYSA-N -1 0 343.748 2.458 20 5 EEBDRM O=C([N-]OCc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122764457 683902928 /nfs/dbraw/zinc/90/29/28/683902928.db2.gz JPEZWYQPGQITAJ-UHFFFAOYSA-N -1 0 349.730 2.435 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000263359796 689745114 /nfs/dbraw/zinc/74/51/14/689745114.db2.gz RRSBVFNIIFSLQK-NWDGAFQWSA-N -1 0 334.372 2.442 20 5 EEBDRM C[C@@H](CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000237429631 691115431 /nfs/dbraw/zinc/11/54/31/691115431.db2.gz IADAIJFNZZSYAR-LBPRGKRZSA-N -1 0 349.387 2.499 20 5 EEBDRM CC(F)(F)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815066859 1197851013 /nfs/dbraw/zinc/85/10/13/1197851013.db2.gz HDSULKGWSGRCCY-UHFFFAOYSA-N -1 0 332.687 2.321 20 5 EEBDRM O=C([N-]N1CN=NC1=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000777768927 1206461297 /nfs/dbraw/zinc/46/12/97/1206461297.db2.gz WTJYLZRAXKYCJM-UHFFFAOYSA-N -1 0 341.283 2.068 20 5 EEBDRM Cc1[nH]nc(C(=O)N2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)c1[O-] ZINC001057317699 1243243828 /nfs/dbraw/zinc/24/38/28/1243243828.db2.gz ULYNLYPMTKLTTG-UHFFFAOYSA-N -1 0 345.359 2.049 20 5 EEBDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C)cc1[N+](=O)[O-] ZINC001214173958 1296331153 /nfs/dbraw/zinc/33/11/53/1296331153.db2.gz HLKWJYXESGPBLN-UHFFFAOYSA-N -1 0 337.357 2.295 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC001226018660 1301234867 /nfs/dbraw/zinc/23/48/67/1301234867.db2.gz PUARHGXPVPBZLP-VIFPVBQESA-N -1 0 333.300 2.407 20 5 EEBDRM C[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1cccc(Br)n1 ZINC001226331551 1301361267 /nfs/dbraw/zinc/36/12/67/1301361267.db2.gz MHZTVRKAFONRHU-LURJTMIESA-N -1 0 341.121 2.388 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC001226651246 1301494643 /nfs/dbraw/zinc/49/46/43/1301494643.db2.gz DTCGVLNKLHYSHN-NSHDSACASA-N -1 0 345.311 2.333 20 5 EEBDRM COc1ccc2c(c1)nc(=O)[n-]c2O[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001229137224 1302635980 /nfs/dbraw/zinc/63/59/80/1302635980.db2.gz JHETVVQSRVYPGI-CQSZACIVSA-N -1 0 342.311 2.136 20 5 EEBDRM Cn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001262864683 1322386134 /nfs/dbraw/zinc/38/61/34/1322386134.db2.gz NRZXCXMQMKLGBM-TXEJJXNPSA-N -1 0 329.360 2.332 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC001608508690 1351706687 /nfs/dbraw/zinc/70/66/87/1351706687.db2.gz OFFFVNAMFGZTAE-UHFFFAOYSA-N -1 0 337.675 2.299 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])c1 ZINC001602532388 1350540333 /nfs/dbraw/zinc/54/03/33/1350540333.db2.gz NFHAKHNVUKPMRR-AWEZNQCLSA-N -1 0 329.312 2.414 20 5 EEBDRM CC(C)(CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C1CC1 ZINC001603645849 1350733353 /nfs/dbraw/zinc/73/33/53/1350733353.db2.gz ORGLTGUSOUCCTN-UHFFFAOYSA-N -1 0 342.373 2.008 20 5 EEBDRM Cc1cc(OS(=O)(=O)CC2(C(=O)[O-])CCC2)c(F)cc1[N+](=O)[O-] ZINC001607703256 1351543013 /nfs/dbraw/zinc/54/30/13/1351543013.db2.gz TYCKRGDVOWCYQM-UHFFFAOYSA-N -1 0 347.320 2.006 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001607708971 1351544044 /nfs/dbraw/zinc/54/40/44/1351544044.db2.gz DEWPOXOGRXVHBE-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])C1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC001608574632 1351718875 /nfs/dbraw/zinc/71/88/75/1351718875.db2.gz JWGDMGDHKBHHEK-UHFFFAOYSA-N -1 0 349.748 2.212 20 5 EEBDRM Cc1cnc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(C)c1 ZINC001309839725 1331643395 /nfs/dbraw/zinc/64/33/95/1331643395.db2.gz GEHHVFDXKASUEB-UHFFFAOYSA-N -1 0 339.348 2.224 20 5 EEBDRM O=C([O-])CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001608744721 1351754233 /nfs/dbraw/zinc/75/42/33/1351754233.db2.gz VWGDNNNTBLIVJY-UHFFFAOYSA-N -1 0 335.360 2.253 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N[C@H]2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001608755441 1351756022 /nfs/dbraw/zinc/75/60/22/1351756022.db2.gz SZIYHALIJQZVEE-MNOVXSKESA-N -1 0 339.323 2.102 20 5 EEBDRM O=C([O-])c1cc(OC[C@H]2CCC3(CCOCC3)O2)ccc1[N+](=O)[O-] ZINC001608857469 1351779895 /nfs/dbraw/zinc/77/98/95/1351779895.db2.gz KDSQLQBKRCVGQR-GFCCVEGCSA-N -1 0 337.328 2.400 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@]2(c3ccccc3)C[C@@H](O)C2)n1 ZINC001608915481 1351793508 /nfs/dbraw/zinc/79/35/08/1351793508.db2.gz XTPCBPROCUELQC-QASKLWRZSA-N -1 0 343.339 2.193 20 5 EEBDRM O=C([O-])[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC001609011587 1351813904 /nfs/dbraw/zinc/81/39/04/1351813904.db2.gz XYTVQTOTROEIJR-SNVBAGLBSA-N -1 0 344.117 2.377 20 5 EEBDRM Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC001322161803 1333220339 /nfs/dbraw/zinc/22/03/39/1333220339.db2.gz KQNXQUJIQZPUHA-SNVBAGLBSA-N -1 0 338.341 2.105 20 5 EEBDRM Cc1nc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC001338257404 1336826218 /nfs/dbraw/zinc/82/62/18/1336826218.db2.gz QCWVVCDSMYPVBM-UHFFFAOYSA-N -1 0 332.139 2.098 20 5 EEBDRM C[C@@H]1COCC[C@@H]1CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001609879557 1352109916 /nfs/dbraw/zinc/10/99/16/1352109916.db2.gz XYPHPUDXBLCVPL-RKDXNWHRSA-N -1 0 339.304 2.286 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)n1 ZINC001610082574 1352158074 /nfs/dbraw/zinc/15/80/74/1352158074.db2.gz BHOWYXAYOAFXPD-UHFFFAOYSA-N -1 0 340.242 2.040 20 5 EEBDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC001610388127 1352214976 /nfs/dbraw/zinc/21/49/76/1352214976.db2.gz FEMDPGNDLYBTGT-NSHDSACASA-N -1 0 331.328 2.049 20 5 EEBDRM CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C(=O)[O-] ZINC000848637040 1338734495 /nfs/dbraw/zinc/73/44/95/1338734495.db2.gz BLCRMQWVZUWRFA-LLVKDONJSA-N -1 0 337.332 2.320 20 5 EEBDRM Cc1cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])s1 ZINC001610476670 1352229100 /nfs/dbraw/zinc/22/91/00/1352229100.db2.gz CEPYFNSLUJHXIR-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001610515164 1352236616 /nfs/dbraw/zinc/23/66/16/1352236616.db2.gz UJBKLKHMRUPRGF-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001610803833 1352277493 /nfs/dbraw/zinc/27/74/93/1352277493.db2.gz BTHCDGCJGJEBKR-CQSZACIVSA-N -1 0 344.327 2.064 20 5 EEBDRM O=C([O-])c1cc(-c2nc(Cc3cncs3)no2)cc([N+](=O)[O-])c1 ZINC001610807890 1352278238 /nfs/dbraw/zinc/27/82/38/1352278238.db2.gz KQYPTSDGVYQIMG-UHFFFAOYSA-N -1 0 332.297 2.390 20 5 EEBDRM O=C([O-])c1cccc(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC001610847643 1352284733 /nfs/dbraw/zinc/28/47/33/1352284733.db2.gz CKCOJSLIHZGEHB-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)CC(F)F ZINC001589292790 1348979907 /nfs/dbraw/zinc/97/99/07/1348979907.db2.gz UBVODXHQWPZZHH-UHFFFAOYSA-N -1 0 327.295 2.263 20 5 EEBDRM Cc1c(CC(=O)N[C@@H](C(=O)[O-])c2cccs2)cccc1[N+](=O)[O-] ZINC001600011048 1349955111 /nfs/dbraw/zinc/95/51/11/1349955111.db2.gz KMISJUWNCRIPQT-CQSZACIVSA-N -1 0 334.353 2.449 20 5 EEBDRM Cc1c(NC(=O)NC[C@H](O)CC(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041321 1349960712 /nfs/dbraw/zinc/96/07/12/1349960712.db2.gz YBJGGXGVEYKRMZ-LLVKDONJSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001600164332 1349983334 /nfs/dbraw/zinc/98/33/34/1349983334.db2.gz KUCHESTYOCHOHU-GFCCVEGCSA-N -1 0 349.368 2.094 20 5 EEBDRM Cc1cc(C)cc([C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001600170357 1349984590 /nfs/dbraw/zinc/98/45/90/1349984590.db2.gz VXGBSACQRGUZAB-OAHLLOKOSA-N -1 0 343.339 2.350 20 5 EEBDRM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001600230270 1349997359 /nfs/dbraw/zinc/99/73/59/1349997359.db2.gz YDZNAUZGFBZUMT-UHFFFAOYSA-N -1 0 339.304 2.474 20 5 EEBDRM Cc1cc(N2CC[C@H](c3ncccn3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240262 1349999630 /nfs/dbraw/zinc/99/96/30/1349999630.db2.gz RJJXVWKZDJQWEQ-NSHDSACASA-N -1 0 328.328 2.385 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1OC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001600360764 1350030126 /nfs/dbraw/zinc/03/01/26/1350030126.db2.gz ANAIOHRNSPCSFO-ZDUSSCGKSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ccc(O)c(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001600465387 1350058311 /nfs/dbraw/zinc/05/83/11/1350058311.db2.gz WXLCGOPIQYOCRJ-KRWDZBQOSA-N -1 0 344.323 2.339 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC001600487622 1350063211 /nfs/dbraw/zinc/06/32/11/1350063211.db2.gz HMBWECLATLEXQM-CQSZACIVSA-N -1 0 338.360 2.288 20 5 EEBDRM Cc1csc([C@H]2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001600658486 1350110774 /nfs/dbraw/zinc/11/07/74/1350110774.db2.gz FFSNBAUKLPFGBD-VIFPVBQESA-N -1 0 334.357 2.447 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001600748366 1350127299 /nfs/dbraw/zinc/12/72/99/1350127299.db2.gz NZDUHTPXSGSCJY-UHFFFAOYSA-N -1 0 345.311 2.404 20 5 EEBDRM Cc1oc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cc1C(=O)[O-] ZINC001600854015 1350152909 /nfs/dbraw/zinc/15/29/09/1350152909.db2.gz PENIJVRPTMOUPJ-UHFFFAOYSA-N -1 0 332.312 2.283 20 5 EEBDRM Cn1cc([C@H]2CN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])CC2(C)C)cn1 ZINC001600943385 1350173697 /nfs/dbraw/zinc/17/36/97/1350173697.db2.gz HBYICIUJQXWOPV-GFCCVEGCSA-N -1 0 345.359 2.052 20 5 EEBDRM Nc1ccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001601214691 1350232986 /nfs/dbraw/zinc/23/29/86/1350232986.db2.gz JNRWNRICMQTMIL-GFCCVEGCSA-N -1 0 335.360 2.188 20 5 EEBDRM O=C([O-])c1ccoc1COC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601351976 1350263922 /nfs/dbraw/zinc/26/39/22/1350263922.db2.gz ZIIBIBCSWBAMLE-UHFFFAOYSA-N -1 0 341.222 2.450 20 5 EEBDRM O=C([O-])c1cccc2[nH]c(NC(=O)Cc3ccccc3[N+](=O)[O-])nc21 ZINC001601370098 1350268835 /nfs/dbraw/zinc/26/88/35/1350268835.db2.gz QUXCWWVNOSZWRT-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001601387093 1350271734 /nfs/dbraw/zinc/27/17/34/1350271734.db2.gz VCXUUJKTGILIIP-PXAZEXFGSA-N -1 0 343.339 2.015 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001601753747 1350356578 /nfs/dbraw/zinc/35/65/78/1350356578.db2.gz GUBNHYPSSCVDSM-HSZNGYFJSA-N -1 0 344.367 2.410 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)CC2 ZINC001601772758 1350361455 /nfs/dbraw/zinc/36/14/55/1350361455.db2.gz XBLOAWMDESIPLX-SNVBAGLBSA-N -1 0 337.307 2.453 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C1CC1 ZINC001601892508 1350391450 /nfs/dbraw/zinc/39/14/50/1350391450.db2.gz WZQCKZZHOUVBEY-SECBINFHSA-N -1 0 325.296 2.356 20 5 EEBDRM O=C([O-])CC1(CS(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001601923755 1350398090 /nfs/dbraw/zinc/39/80/90/1350398090.db2.gz IODIRJQZRMCKCE-UHFFFAOYSA-N -1 0 349.748 2.212 20 5 EEBDRM O=C([O-])CC1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001601926906 1350398763 /nfs/dbraw/zinc/39/87/63/1350398763.db2.gz UTUODJOMZRAXJQ-UHFFFAOYSA-N -1 0 342.735 2.141 20 5 EEBDRM O=C([O-])CCCCCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001601983565 1350410880 /nfs/dbraw/zinc/41/08/80/1350410880.db2.gz CWWBXLZSZDHXJN-UHFFFAOYSA-N -1 0 326.324 2.428 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCOc3ccc(O)cc3C2)c1 ZINC001602404581 1350511853 /nfs/dbraw/zinc/51/18/53/1350511853.db2.gz SXJLDHXIKRQRIX-UHFFFAOYSA-N -1 0 330.296 2.398 20 5 EEBDRM O=C([O-])c1cccc2c1CN(C(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC001602459132 1350523838 /nfs/dbraw/zinc/52/38/38/1350523838.db2.gz KXYQBQNBHRSPFA-UHFFFAOYSA-N -1 0 326.308 2.492 20 5 EEBDRM O=C([O-])c1cnc(NCc2cc(=O)c3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC001602533623 1350541014 /nfs/dbraw/zinc/54/10/14/1350541014.db2.gz LGZWLSDVPGWCHG-UHFFFAOYSA-N -1 0 340.295 2.142 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001602546529 1350543038 /nfs/dbraw/zinc/54/30/38/1350543038.db2.gz RDNUAQHQEKTHRB-UHFFFAOYSA-N -1 0 344.638 2.431 20 5 EEBDRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC001603154998 1350651416 /nfs/dbraw/zinc/65/14/16/1350651416.db2.gz NEIUZVVHUMXASQ-IAQYHMDHSA-N -1 0 343.339 2.426 20 5 EEBDRM CC(C)[C@@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)N1CCCC1 ZINC001603745008 1350757099 /nfs/dbraw/zinc/75/70/99/1350757099.db2.gz ZODZKNKCBFUMJX-CQSZACIVSA-N -1 0 336.344 2.319 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001604087580 1350852262 /nfs/dbraw/zinc/85/22/62/1350852262.db2.gz FMRNKLSFIIHCAZ-MRXNPFEDSA-N -1 0 329.312 2.110 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)COc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604936074 1351035002 /nfs/dbraw/zinc/03/50/02/1351035002.db2.gz PEXBUUWKTKMTRS-AMIZOPFISA-N -1 0 344.751 2.243 20 5 EEBDRM CC[C@](CNC(=O)c1ccc([N+](=O)[O-])cn1)(C(=O)[O-])c1ccccc1 ZINC001605038863 1351064247 /nfs/dbraw/zinc/06/42/47/1351064247.db2.gz APNKAWUEUILBMO-QGZVFWFLSA-N -1 0 343.339 2.152 20 5 EEBDRM CCc1ncsc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001605864882 1351240706 /nfs/dbraw/zinc/24/07/06/1351240706.db2.gz JAMSHXYCJOFKKX-HNNXBMFYSA-N -1 0 349.368 2.344 20 5 EEBDRM Cc1ccccc1[C@@H](O)CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001605935435 1351256383 /nfs/dbraw/zinc/25/63/83/1351256383.db2.gz SDGIHSLZNVBAMG-AWEZNQCLSA-N -1 0 340.343 2.229 20 5 EEBDRM CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1(C(=O)[O-])CCCC1 ZINC001606178970 1351282187 /nfs/dbraw/zinc/28/21/87/1351282187.db2.gz WNDRGHUMGOQDOS-UHFFFAOYSA-N -1 0 346.343 2.474 20 5 EEBDRM COc1cc(N2CCc3ccc(C(=O)[O-])nc3C2)c([N+](=O)[O-])cc1F ZINC001607170119 1351442608 /nfs/dbraw/zinc/44/26/08/1351442608.db2.gz CBGLAZGPESEILV-UHFFFAOYSA-N -1 0 347.302 2.398 20 5 EEBDRM COc1cccc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1[N+](=O)[O-] ZINC001607304531 1351469046 /nfs/dbraw/zinc/46/90/46/1351469046.db2.gz FRLQZQASIHHQPV-GFCCVEGCSA-N -1 0 336.344 2.367 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001607416486 1351491235 /nfs/dbraw/zinc/49/12/35/1351491235.db2.gz TXIZTOORNAWUJX-ZETCQYMHSA-N -1 0 340.723 2.203 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2c2ncccn2)n1 ZINC001607589481 1351520590 /nfs/dbraw/zinc/52/05/90/1351520590.db2.gz YJZIZRDNMYRJLE-LLVKDONJSA-N -1 0 329.316 2.128 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001607655683 1351534287 /nfs/dbraw/zinc/53/42/87/1351534287.db2.gz GJZMYPSHSGSVAO-ZDUSSCGKSA-N -1 0 330.699 2.195 20 5 EEBDRM Cc1cc(F)cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c1[N+](=O)[O-] ZINC001607663247 1351535389 /nfs/dbraw/zinc/53/53/89/1351535389.db2.gz OLBSJATVCGLXGU-MRGUHSIWSA-N -1 0 336.319 2.271 20 5 EEBDRM Cc1cc(NC2CCN(C(=O)C3CC3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607693599 1351540915 /nfs/dbraw/zinc/54/09/15/1351540915.db2.gz IFGAHWDKUSOWRP-UHFFFAOYSA-N -1 0 347.371 2.414 20 5 EEBDRM Cc1ccc(CNC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001607782933 1351558206 /nfs/dbraw/zinc/55/82/06/1351558206.db2.gz SRPBKJNLDAKEGH-MRXNPFEDSA-N -1 0 335.360 2.300 20 5 EEBDRM Cc1oc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001608050181 1351614576 /nfs/dbraw/zinc/61/45/76/1351614576.db2.gz VFMORVVDNPKWAQ-UHFFFAOYSA-N -1 0 347.327 2.236 20 5 EEBDRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006330280 1369136447 /nfs/dbraw/zinc/13/64/47/1369136447.db2.gz MRTPCLVDANRQQP-VHSXEESVSA-N -1 0 335.272 2.109 20 5 EEBDRM CCCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000781482579 1371233919 /nfs/dbraw/zinc/23/39/19/1371233919.db2.gz FQEQFHXZYVHNTO-UHFFFAOYSA-N -1 0 344.392 2.151 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]Cc2ccccn2)c1 ZINC000798224731 1371574042 /nfs/dbraw/zinc/57/40/42/1371574042.db2.gz RPGZHBXYGGVBAE-UHFFFAOYSA-N -1 0 345.739 2.261 20 5 EEBDRM CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001121878932 1371930735 /nfs/dbraw/zinc/93/07/35/1371930735.db2.gz QUTSKNHXAMTBGS-ZYHUDNBSSA-N -1 0 329.360 2.425 20 5 EEBDRM C[C@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000835077570 1372588035 /nfs/dbraw/zinc/58/80/35/1372588035.db2.gz SLUHFCAOLBSDRK-LKFCYVNXSA-N -1 0 344.364 2.365 20 5 EEBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)Cc1cccc(Cl)c1)[N+](=O)[O-] ZINC000835393540 1372621459 /nfs/dbraw/zinc/62/14/59/1372621459.db2.gz DWNYIDGZSXBZJW-UHFFFAOYSA-N -1 0 348.808 2.122 20 5 EEBDRM CN(CC(=O)O[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001606088614 1404766166 /nfs/dbraw/zinc/76/61/66/1404766166.db2.gz BBUXJRZWHJCMAG-VXGBXAGGSA-N -1 0 336.344 2.218 20 5 EEBDRM COC(=O)[C@@]1(C)CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001606347617 1404800363 /nfs/dbraw/zinc/80/03/63/1404800363.db2.gz IWJQFJIRPXBNPN-INIZCTEOSA-N -1 0 336.344 2.381 20 5 EEBDRM C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000820309305 785860794 /nfs/dbraw/zinc/86/07/94/785860794.db2.gz YALXXVBBFPFJPM-ONGXEEELSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000910458051 786785899 /nfs/dbraw/zinc/78/58/99/786785899.db2.gz PFFUBDCXVVGRAC-GFCCVEGCSA-N -1 0 344.371 2.128 20 5 EEBDRM Cn1nccc1[C@@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844207455 788926380 /nfs/dbraw/zinc/92/63/80/788926380.db2.gz JCPNSJYSUMBSLW-CYBMUJFWSA-N -1 0 344.371 2.339 20 5 EEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000151424066 788944188 /nfs/dbraw/zinc/94/41/88/788944188.db2.gz YEXLJXOWGRMWTA-UHFFFAOYSA-N -1 0 348.380 2.206 20 5 EEBDRM CC(C)CCCC(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001093197695 794818159 /nfs/dbraw/zinc/81/81/59/794818159.db2.gz AKTIHOWEBHXIIG-UHFFFAOYSA-N -1 0 336.392 2.170 20 5 EEBDRM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CSC1 ZINC000921869653 797773584 /nfs/dbraw/zinc/77/35/84/797773584.db2.gz DTSCWHPBAHGQJR-UHFFFAOYSA-N -1 0 342.320 2.007 20 5 EEBDRM O=c1cc(CNc2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)o[n-]1 ZINC001169485663 803774698 /nfs/dbraw/zinc/77/46/98/803774698.db2.gz UMIDQQYSYROVFQ-UHFFFAOYSA-N -1 0 329.272 2.483 20 5 EEBDRM O=C([O-])C1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000262865937 939081511 /nfs/dbraw/zinc/08/15/11/939081511.db2.gz FAVNIHMPGHANQS-UHFFFAOYSA-N -1 0 344.776 2.464 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])cc1 ZINC000345971973 939128370 /nfs/dbraw/zinc/12/83/70/939128370.db2.gz DBHHRDUWVPESPS-LBPRGKRZSA-N -1 0 336.325 2.221 20 5 EEBDRM CC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000159013874 949374130 /nfs/dbraw/zinc/37/41/30/949374130.db2.gz NMPOZADPRTXLQP-ZETCQYMHSA-N -1 0 345.149 2.198 20 5 EEBDRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001602970072 971966172 /nfs/dbraw/zinc/96/61/72/971966172.db2.gz KDECOVPLQPJFKI-CYBMUJFWSA-N -1 0 332.316 2.280 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594665803 956573574 /nfs/dbraw/zinc/57/35/74/956573574.db2.gz ODQONDIGEZMGRA-AWEZNQCLSA-N -1 0 341.323 2.001 20 5 EEBDRM C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC001573747959 960513104 /nfs/dbraw/zinc/51/31/04/960513104.db2.gz FQIBFDZUKWWCIW-OADPDTJPSA-N -1 0 332.356 2.268 20 5 EEBDRM CC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(=O)[O-] ZINC001573803961 960836589 /nfs/dbraw/zinc/83/65/89/960836589.db2.gz JNGRPZIEOXGXOI-VIFPVBQESA-N -1 0 332.316 2.375 20 5 EEBDRM CC(C)C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC001588847051 961892267 /nfs/dbraw/zinc/89/22/67/961892267.db2.gz XSSUHIZMQMVZPE-LLVKDONJSA-N -1 0 326.324 2.140 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC[C@H](O)COCc2ccccc2)c1 ZINC000301357300 963065804 /nfs/dbraw/zinc/06/58/04/963065804.db2.gz ASHOIEAAEJHWEE-CQSZACIVSA-N -1 0 347.323 2.250 20 5 EEBDRM C[C@@H](C(=O)[O-])c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC001609718536 970499153 /nfs/dbraw/zinc/49/91/53/970499153.db2.gz VWRILUOGJZMXHH-MRVPVSSYSA-N -1 0 329.272 2.019 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001603360701 972828681 /nfs/dbraw/zinc/82/86/81/972828681.db2.gz WUFYSKPTZBGNIH-ONGXEEELSA-N -1 0 340.763 2.360 20 5 EEBDRM CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001603951601 974430414 /nfs/dbraw/zinc/43/04/14/974430414.db2.gz IYUJXBBHXQCAFC-ZETCQYMHSA-N -1 0 333.247 2.181 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001592290672 977615360 /nfs/dbraw/zinc/61/53/60/977615360.db2.gz QPTWZGMRDNRBEU-KRWDZBQOSA-N -1 0 343.339 2.039 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCO[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000851705498 979569844 /nfs/dbraw/zinc/56/98/44/979569844.db2.gz NSWPTKJCQWBRKJ-JTQLQIEISA-N -1 0 348.277 2.380 20 5 EEBDRM C[C@@H](Cc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC001592878155 979748668 /nfs/dbraw/zinc/74/86/68/979748668.db2.gz VPRFYGVXDSZLHW-VIFPVBQESA-N -1 0 345.311 2.211 20 5 EEBDRM C[C@](NC(=O)[C@@H]1CCCCS1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593006623 980221557 /nfs/dbraw/zinc/22/15/57/980221557.db2.gz AEYYVGZIEJOGSC-SWLSCSKDSA-N -1 0 338.385 2.297 20 5 EEBDRM CCC(O)(CC)C(C)(C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595323818 980527364 /nfs/dbraw/zinc/52/73/64/980527364.db2.gz YAXQBWFZRKTQPS-UHFFFAOYSA-N -1 0 338.360 2.353 20 5 EEBDRM CCC[C@@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C(=O)[O-] ZINC001595996050 983252454 /nfs/dbraw/zinc/25/24/54/983252454.db2.gz VVDDSOIOAGACDI-GFCCVEGCSA-N -1 0 331.328 2.313 20 5 EEBDRM CCCc1[nH]nc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)c1[N+](=O)[O-] ZINC001596030533 983299810 /nfs/dbraw/zinc/29/98/10/983299810.db2.gz YBWJHXRSUFWUSA-UHFFFAOYSA-N -1 0 348.315 2.230 20 5 EEBDRM CCNc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001596501432 984255299 /nfs/dbraw/zinc/25/52/99/984255299.db2.gz UOQQPNPWBAJKKD-HZMBPMFUSA-N -1 0 335.360 2.352 20 5 EEBDRM CCOC(=O)CC1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001596600480 984553076 /nfs/dbraw/zinc/55/30/76/984553076.db2.gz OEMMELRUFAYDCI-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM C[C@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001599893783 984727372 /nfs/dbraw/zinc/72/73/72/984727372.db2.gz FNGXSJGWYUAYIM-BBKSZCTCSA-N -1 0 333.344 2.208 20 5 EEBDRM CC(=O)N(C)c1cccc(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001589046250 985117928 /nfs/dbraw/zinc/11/79/28/985117928.db2.gz KHFIJROZKVIJSN-UHFFFAOYSA-N -1 0 330.300 2.414 20 5 EEBDRM CC(=O)N1CCc2cc(Nc3nc(C(=O)[O-])ccc3[N+](=O)[O-])ccc21 ZINC001589091014 985278100 /nfs/dbraw/zinc/27/81/00/985278100.db2.gz HJAGLHQLDCDPMV-UHFFFAOYSA-N -1 0 342.311 2.341 20 5 EEBDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC001589260796 985911636 /nfs/dbraw/zinc/91/16/36/985911636.db2.gz ICZJBSUGMYFYJQ-UHFFFAOYSA-N -1 0 331.284 2.384 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001589585843 987381617 /nfs/dbraw/zinc/38/16/17/987381617.db2.gz SCUKNTRCOIIKGA-UHFFFAOYSA-N -1 0 335.268 2.178 20 5 EEBDRM CCc1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001597551808 988277396 /nfs/dbraw/zinc/27/73/96/988277396.db2.gz OIYUCLCTXLPMMS-UHFFFAOYSA-N -1 0 332.316 2.324 20 5 EEBDRM C[C@@](NC(=O)c1ccccc1O)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593178894 994059031 /nfs/dbraw/zinc/05/90/31/994059031.db2.gz IFDGSKIZLAEHEJ-INIZCTEOSA-N -1 0 330.296 2.030 20 5 EEBDRM COc1cccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1O ZINC001599642852 994383686 /nfs/dbraw/zinc/38/36/86/994383686.db2.gz YMSSBOOPCJRWJU-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM CNc1ccc(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001598679324 994900357 /nfs/dbraw/zinc/90/03/57/994900357.db2.gz VBYJSZHEDOQXBH-OAHLLOKOSA-N -1 0 344.323 2.489 20 5 EEBDRM C[C@@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)C(C)(C)C(=O)[O-] ZINC001593553987 995635048 /nfs/dbraw/zinc/63/50/48/995635048.db2.gz QNLLSYQCDJCGOT-MRVPVSSYSA-N -1 0 348.311 2.301 20 5 EEBDRM C[C@H](Oc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1F)C(=O)[O-] ZINC001593624198 995884870 /nfs/dbraw/zinc/88/48/70/995884870.db2.gz HHUVAWKQYVPPFS-VIFPVBQESA-N -1 0 342.323 2.452 20 5 EEBDRM CC1(C)OC[C@@H]2C[C@@]21C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593977493 997176858 /nfs/dbraw/zinc/17/68/58/997176858.db2.gz PLAHACOPMQLUBG-ZBEGNZNMSA-N -1 0 335.312 2.151 20 5 EEBDRM COC[C@]1(C)CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCO1 ZINC001599194319 997187564 /nfs/dbraw/zinc/18/75/64/997187564.db2.gz FGTBOJRKBLQTPL-AWEZNQCLSA-N -1 0 344.751 2.188 20 5 EEBDRM COc1cc(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])ccn1 ZINC001599404187 997266795 /nfs/dbraw/zinc/26/67/95/997266795.db2.gz KHUBNAHCEIUCKR-UHFFFAOYSA-N -1 0 332.316 2.055 20 5 EEBDRM COC(=O)[C@]12CCC[C@H]1CN(c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC001598908631 997316450 /nfs/dbraw/zinc/31/64/50/997316450.db2.gz ZHPOHQAWZGQGQF-ZBEGNZNMSA-N -1 0 334.328 2.073 20 5 EEBDRM C[C@]1(CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC001594029979 997587227 /nfs/dbraw/zinc/58/72/27/997587227.db2.gz CVYYJXBYRDNTCC-PBKGOJFUSA-N -1 0 347.371 2.257 20 5 EEBDRM C[C@@]1(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCCC[C@H]1C(=O)[O-] ZINC001594056159 997796313 /nfs/dbraw/zinc/79/63/13/997796313.db2.gz NVXCORKFKVGTEF-BJOHPYRUSA-N -1 0 339.323 2.079 20 5 EEBDRM COc1ccc(CC(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001599548376 997963330 /nfs/dbraw/zinc/96/33/30/997963330.db2.gz BXKQVCIQMVOIDB-UHFFFAOYSA-N -1 0 345.311 2.186 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001594158549 998585801 /nfs/dbraw/zinc/58/58/01/998585801.db2.gz ISAPCXXRXMLCTK-APPZFPTMSA-N -1 0 344.270 2.131 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CCC1=O ZINC001594201520 998780000 /nfs/dbraw/zinc/78/00/00/998780000.db2.gz PXZOCLBGXHJVLQ-AGKHESDQSA-N -1 0 348.355 2.016 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000191509540 529785984 /nfs/dbraw/zinc/78/59/84/529785984.db2.gz PCCSIIXRRFRQRU-UHFFFAOYSA-N -1 0 349.387 2.426 20 5 EEBDRM CC(C)(CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000424378186 240917179 /nfs/dbraw/zinc/91/71/79/240917179.db2.gz SPVSTKZAXKPRET-UHFFFAOYSA-N -1 0 335.360 2.400 20 5 EEBDRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000236691762 242321436 /nfs/dbraw/zinc/32/14/36/242321436.db2.gz CZWGRCHOEJVDOY-UHFFFAOYSA-N -1 0 335.360 2.352 20 5 EEBDRM CN(CC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000237323359 242585192 /nfs/dbraw/zinc/58/51/92/242585192.db2.gz UFTCRRCDZXXUJQ-ZDUSSCGKSA-N -1 0 349.387 2.277 20 5 EEBDRM C[C@H](CN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262527850 245018774 /nfs/dbraw/zinc/01/87/74/245018774.db2.gz OBECXIHMAVBSCE-ZJUUUORDSA-N -1 0 326.374 2.255 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000045622351 213744981 /nfs/dbraw/zinc/74/49/81/213744981.db2.gz AMDXEKIWECONEU-JTQLQIEISA-N -1 0 345.149 2.196 20 5 EEBDRM O=C(/C=C\C1CC1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000491908416 246207716 /nfs/dbraw/zinc/20/77/16/246207716.db2.gz LSWXUIRRQWJRSC-UTCJRWHESA-N -1 0 330.749 2.019 20 5 EEBDRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492115244 246307019 /nfs/dbraw/zinc/30/70/19/246307019.db2.gz DKWMQSXCUGTZQW-HSBSLETESA-N -1 0 348.355 2.090 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000091054692 217962091 /nfs/dbraw/zinc/96/20/91/217962091.db2.gz MXTNNRHAKKJQRA-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM O=C(NC[C@@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187854945 255957748 /nfs/dbraw/zinc/95/77/48/255957748.db2.gz SNLOZUNWOPUMJA-CYBMUJFWSA-N -1 0 330.340 2.196 20 5 EEBDRM CCCC[C@H](NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000262428495 152279332 /nfs/dbraw/zinc/27/93/32/152279332.db2.gz DGFASSQDZNGGBN-LBPRGKRZSA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263033445 152360834 /nfs/dbraw/zinc/36/08/34/152360834.db2.gz MWELNNWHVDVZID-SMDDNHRTSA-N -1 0 335.360 2.109 20 5 EEBDRM O=C(NCc1cccc2c1OCCCO2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000357672242 153281238 /nfs/dbraw/zinc/28/12/38/153281238.db2.gz QIFRBUVAQVABOD-UHFFFAOYSA-N -1 0 344.323 2.392 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(N(C)C)n1 ZINC000181094332 159951825 /nfs/dbraw/zinc/95/18/25/159951825.db2.gz DKGPCNMSNOYMQP-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000342165486 161044833 /nfs/dbraw/zinc/04/48/33/161044833.db2.gz JXYLUOJXJHTUOJ-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356233358 163373706 /nfs/dbraw/zinc/37/37/06/163373706.db2.gz ZYUOPXWLMNVOIN-HNNXBMFYSA-N -1 0 345.355 2.460 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000359841841 164182571 /nfs/dbraw/zinc/18/25/71/164182571.db2.gz GNTRONICOATJAA-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCOc2cc(O)ccc2C1 ZINC000376452432 167328587 /nfs/dbraw/zinc/32/85/87/167328587.db2.gz YPGYYUIJYGODAN-UHFFFAOYSA-N -1 0 330.296 2.041 20 5 EEBDRM O=C(NCc1ccc(N2CCCC2)nc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164137102 226047686 /nfs/dbraw/zinc/04/76/86/226047686.db2.gz WHIANHPMUJJDMY-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000275071842 269091405 /nfs/dbraw/zinc/09/14/05/269091405.db2.gz WTTKGFSHCFZUMU-LBPRGKRZSA-N -1 0 344.389 2.071 20 5 EEBDRM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000275261042 269105466 /nfs/dbraw/zinc/10/54/66/269105466.db2.gz IUZCMJKVSYBKRJ-CYBMUJFWSA-N -1 0 344.389 2.023 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236960749 274084977 /nfs/dbraw/zinc/08/49/77/274084977.db2.gz CNJYBRZHCQPMTG-VIFPVBQESA-N -1 0 343.767 2.372 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000288312274 275045079 /nfs/dbraw/zinc/04/50/79/275045079.db2.gz HUKPCEVLPWWGFA-JTQLQIEISA-N -1 0 342.270 2.353 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCN(CC(F)(F)F)CC1 ZINC000160132441 304525197 /nfs/dbraw/zinc/52/51/97/304525197.db2.gz HWMRGAGGUUQIMG-UHFFFAOYSA-N -1 0 347.293 2.011 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000416567280 313260662 /nfs/dbraw/zinc/26/06/62/313260662.db2.gz XQFKKZLSQZPUIX-QMMMGPOBSA-N -1 0 344.780 2.021 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000421233528 314067790 /nfs/dbraw/zinc/06/77/90/314067790.db2.gz MEYXVNPGIBMCLB-LBPRGKRZSA-N -1 0 346.405 2.406 20 5 EEBDRM O=C(NCc1ccc2c(c1)OCCCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436632521 314982467 /nfs/dbraw/zinc/98/24/67/314982467.db2.gz BIWHFXUKAJLMFZ-UHFFFAOYSA-N -1 0 344.323 2.392 20 5 EEBDRM COc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436769300 314996538 /nfs/dbraw/zinc/99/65/38/314996538.db2.gz HSLBBCFDTAJYOF-UHFFFAOYSA-N -1 0 332.312 2.118 20 5 EEBDRM COCCN(Cc1cncs1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436808892 315000724 /nfs/dbraw/zinc/00/07/24/315000724.db2.gz MKVHRIPCXKAGPC-UHFFFAOYSA-N -1 0 337.357 2.046 20 5 EEBDRM COCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCSC1 ZINC000436810933 315000812 /nfs/dbraw/zinc/00/08/12/315000812.db2.gz SWFVVHYOCNFSDY-GFCCVEGCSA-N -1 0 340.401 2.285 20 5 EEBDRM COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436961459 315016650 /nfs/dbraw/zinc/01/66/50/315016650.db2.gz UOOSSMRFNAKOTP-MLGOLLRUSA-N -1 0 336.344 2.152 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1noc(C(C)C)n1 ZINC000537594201 318021362 /nfs/dbraw/zinc/02/13/62/318021362.db2.gz VUDYUQOGVRFXFV-UHFFFAOYSA-N -1 0 340.361 2.464 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)o1 ZINC000562577812 318898917 /nfs/dbraw/zinc/89/89/17/318898917.db2.gz JVJKGLZAFHFOCX-UHFFFAOYSA-N -1 0 340.361 2.348 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000562649327 318908913 /nfs/dbraw/zinc/90/89/13/318908913.db2.gz QGMCWJKDELLBDE-MRXNPFEDSA-N -1 0 349.318 2.192 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000563537808 319020792 /nfs/dbraw/zinc/02/07/92/319020792.db2.gz XCXRMJDUAYDUSA-UHFFFAOYSA-N -1 0 349.387 2.134 20 5 EEBDRM O=C([O-])c1cc(N2CC[C@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000564214200 319072970 /nfs/dbraw/zinc/07/29/70/319072970.db2.gz NEXKZGYPUGOLKD-SFHVURJKSA-N -1 0 342.351 2.433 20 5 EEBDRM Cc1c(CNC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cccc1[N+](=O)[O-] ZINC000565348759 319174698 /nfs/dbraw/zinc/17/46/98/319174698.db2.gz RKFMLFOHGBODRG-NSHDSACASA-N -1 0 335.360 2.440 20 5 EEBDRM Cc1cc(N2CCC(n3cnc(C(=O)[O-])c3N)CC2)ccc1[N+](=O)[O-] ZINC000575409576 320104954 /nfs/dbraw/zinc/10/49/54/320104954.db2.gz QJEYZZPQJPATLB-UHFFFAOYSA-N -1 0 345.359 2.222 20 5 EEBDRM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000576204559 320149818 /nfs/dbraw/zinc/14/98/18/320149818.db2.gz YDPJONJKXVVBDV-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@@H]1C[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000577376851 320252282 /nfs/dbraw/zinc/25/22/82/320252282.db2.gz OCISDRWJIDSWKM-BDAKNGLRSA-N -1 0 328.752 2.499 20 5 EEBDRM CC(C)[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000578887613 323730511 /nfs/dbraw/zinc/73/05/11/323730511.db2.gz SZWAYYPGRQEOIX-GFCCVEGCSA-N -1 0 342.373 2.102 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000580196798 324014176 /nfs/dbraw/zinc/01/41/76/324014176.db2.gz CXBHFQJKBGUMKJ-MWLCHTKSSA-N -1 0 331.328 2.451 20 5 EEBDRM CC[C@@](C)(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OC ZINC000581727391 324311435 /nfs/dbraw/zinc/31/14/35/324311435.db2.gz BLGOPZVSHRFXTF-CYBMUJFWSA-N -1 0 330.724 2.025 20 5 EEBDRM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000582124358 324385585 /nfs/dbraw/zinc/38/55/85/324385585.db2.gz ZZVOLWUACRHVPN-DTWKUNHWSA-N -1 0 327.768 2.118 20 5 EEBDRM CCO[C@@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000582488433 324464105 /nfs/dbraw/zinc/46/41/05/324464105.db2.gz FOGSMMLZJBPGAT-NWANDNLSSA-N -1 0 346.343 2.320 20 5 EEBDRM COc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000327547471 465052774 /nfs/dbraw/zinc/05/27/74/465052774.db2.gz XYHKMZBNJGUXDS-ZDUSSCGKSA-N -1 0 344.323 2.202 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3nncn3c2)c1 ZINC000351710594 465309381 /nfs/dbraw/zinc/30/93/81/465309381.db2.gz RHNQFGLWYCGUOT-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1cc(N2CCC(Cn3ccnn3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000521252753 468300954 /nfs/dbraw/zinc/30/09/54/468300954.db2.gz NMVZRFDCELYBPK-UHFFFAOYSA-N -1 0 345.359 2.110 20 5 EEBDRM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000016101434 462970368 /nfs/dbraw/zinc/97/03/68/462970368.db2.gz WHCUEJBQAAACRZ-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM C[C@@H](N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1)C(F)(F)F ZINC000158132566 463208594 /nfs/dbraw/zinc/20/85/94/463208594.db2.gz JXMVRYSRHFNTLG-SECBINFHSA-N -1 0 347.293 2.009 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000040945851 463466052 /nfs/dbraw/zinc/46/60/52/463466052.db2.gz LRLKQRBKCXRWGR-UHFFFAOYSA-N -1 0 328.375 2.200 20 5 EEBDRM Cc1c(Br)c(N2CCC[C@H](C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000165655145 463645940 /nfs/dbraw/zinc/64/59/40/463645940.db2.gz KCGXDBWNNISFKE-QMMMGPOBSA-N -1 0 344.165 2.362 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)CCCC(=O)[O-])c1 ZINC000590897677 468368110 /nfs/dbraw/zinc/36/81/10/468368110.db2.gz KPVKRDKXSGUNNA-JTQLQIEISA-N -1 0 344.389 2.133 20 5 EEBDRM CC(C)(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000170307446 463676448 /nfs/dbraw/zinc/67/64/48/463676448.db2.gz KWWQBBKXAVOTSW-JTQLQIEISA-N -1 0 344.389 2.010 20 5 EEBDRM CC(C)(C)c1nnc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000268459024 463751193 /nfs/dbraw/zinc/75/11/93/463751193.db2.gz TVFVAPIMJINZPB-UHFFFAOYSA-N -1 0 336.373 2.379 20 5 EEBDRM Cc1cccc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000261672516 463821678 /nfs/dbraw/zinc/82/16/78/463821678.db2.gz LVFFIXDYUGSAES-CYBMUJFWSA-N -1 0 346.261 2.382 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000268954392 463824412 /nfs/dbraw/zinc/82/44/12/463824412.db2.gz VZLRSKHIBXCCLY-URWSZGRFSA-N -1 0 330.340 2.321 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](OCc2ccccn2)C1 ZINC000269078086 463867833 /nfs/dbraw/zinc/86/78/33/463867833.db2.gz VLUBIIHHJIEBGI-AWEZNQCLSA-N -1 0 343.339 2.127 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000185731726 463869776 /nfs/dbraw/zinc/86/97/76/463869776.db2.gz VIGDKMCAGHDZSO-UHFFFAOYSA-N -1 0 346.261 2.284 20 5 EEBDRM Nc1ccc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262109445 463949773 /nfs/dbraw/zinc/94/97/73/463949773.db2.gz HQMKAZATWUKBMG-DGCLKSJQSA-N -1 0 335.360 2.330 20 5 EEBDRM CC(C)(C)c1ccc(C(=O)NCCSCC(=O)[O-])cc1[N+](=O)[O-] ZINC000262118122 463950532 /nfs/dbraw/zinc/95/05/32/463950532.db2.gz PCGRDYQSWCVIGT-UHFFFAOYSA-N -1 0 340.401 2.440 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263311109 464081612 /nfs/dbraw/zinc/08/16/12/464081612.db2.gz HYVSFZJOVXMGIX-QWRGUYRKSA-N -1 0 336.344 2.176 20 5 EEBDRM CN(CC(=O)[O-])C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237170708 464277868 /nfs/dbraw/zinc/27/78/68/464277868.db2.gz WYAXZBIAZYYRRA-UHFFFAOYSA-N -1 0 343.339 2.364 20 5 EEBDRM C[C@](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)(C(=O)[O-])C1CC1 ZINC000237456726 464323001 /nfs/dbraw/zinc/32/30/01/464323001.db2.gz ORIJLWHDKWSZNI-MRXNPFEDSA-N -1 0 333.344 2.152 20 5 EEBDRM C[S@](=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000175908383 464656674 /nfs/dbraw/zinc/65/66/74/464656674.db2.gz MSVIFRIROROTQI-RZFZLAGVSA-N -1 0 348.380 2.150 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000247413974 464676872 /nfs/dbraw/zinc/67/68/72/464676872.db2.gz JROBJSWENQWIQD-HFXCSBFXSA-N -1 0 340.401 2.110 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000192723350 464984596 /nfs/dbraw/zinc/98/45/96/464984596.db2.gz BDLGMHSXYBTNRT-YGRLFVJLSA-N -1 0 346.343 2.010 20 5 EEBDRM CC(=O)N1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])ccc21 ZINC000184601150 465005309 /nfs/dbraw/zinc/00/53/09/465005309.db2.gz LDDHNTGRZTXIEO-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000192991190 465020960 /nfs/dbraw/zinc/02/09/60/465020960.db2.gz GLQWYISZRBPBPG-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM O=C(NCCCN1CCc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356349679 465329976 /nfs/dbraw/zinc/32/99/76/465329976.db2.gz BJOINJHYXDQQDK-UHFFFAOYSA-N -1 0 341.367 2.483 20 5 EEBDRM COCCOc1ccccc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356350296 465330684 /nfs/dbraw/zinc/33/06/84/465330684.db2.gz VCIGYRSINIHTII-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM COc1ccsc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC ZINC000348451205 465613092 /nfs/dbraw/zinc/61/30/92/465613092.db2.gz DELZXFNPNQPCLI-UHFFFAOYSA-N -1 0 344.370 2.474 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC([C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000597162138 468465539 /nfs/dbraw/zinc/46/55/39/468465539.db2.gz RUVNSYGUJPXPKT-GFCCVEGCSA-N -1 0 348.355 2.182 20 5 EEBDRM Cc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000362815478 466047612 /nfs/dbraw/zinc/04/76/12/466047612.db2.gz VNVQSGULTJGRJR-MRXNPFEDSA-N -1 0 342.351 2.430 20 5 EEBDRM O=C(Nc1ccccc1-c1nc[nH]n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000357632843 466195008 /nfs/dbraw/zinc/19/50/08/466195008.db2.gz IQMLOMJLIHVJAO-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM O=C(Nc1cccc(N2CCCC2=O)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000361910865 466399348 /nfs/dbraw/zinc/39/93/48/466399348.db2.gz GYGUTSAWWGOAAW-UHFFFAOYSA-N -1 0 342.311 2.075 20 5 EEBDRM CC1(C)CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[S@@]1=O ZINC000321688637 466625277 /nfs/dbraw/zinc/62/52/77/466625277.db2.gz TYUKTNVTHJCUQQ-QFIPXVFZSA-N -1 0 326.374 2.030 20 5 EEBDRM O=C([O-])CCCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000416426579 466733544 /nfs/dbraw/zinc/73/35/44/466733544.db2.gz KDNXRMXGTFPPCT-UHFFFAOYSA-N -1 0 331.328 2.846 20 5 EEBDRM Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000370737305 466984491 /nfs/dbraw/zinc/98/44/91/466984491.db2.gz GONJQROWLAPHRP-CYBMUJFWSA-N -1 0 330.344 2.320 20 5 EEBDRM CC(C)C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(=O)[O-] ZINC000424403105 467042009 /nfs/dbraw/zinc/04/20/09/467042009.db2.gz AOAXOGCRLSFREC-ZDUSSCGKSA-N -1 0 349.387 2.409 20 5 EEBDRM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000396318702 467436931 /nfs/dbraw/zinc/43/69/31/467436931.db2.gz AWSNNPDISUQTFJ-UHFFFAOYSA-N -1 0 334.369 2.216 20 5 EEBDRM O=C(NCc1cccc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436781072 467554385 /nfs/dbraw/zinc/55/43/85/467554385.db2.gz BDJDMTRDHSVZLP-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)c(F)c1 ZINC000517247918 468078508 /nfs/dbraw/zinc/07/85/08/468078508.db2.gz ZDFDVZOUNDYWJG-UHFFFAOYSA-N -1 0 326.309 2.135 20 5 EEBDRM Cc1cc(NCC2([S@@](C)=O)CCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000518776609 468126245 /nfs/dbraw/zinc/12/62/45/468126245.db2.gz FISOJRSAJPSMLQ-JOCHJYFZSA-N -1 0 326.374 2.315 20 5 EEBDRM Cc1nccn1CCCN(C)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582362757 468529775 /nfs/dbraw/zinc/52/97/75/468529775.db2.gz UKOGFJPYHFHGAC-UHFFFAOYSA-N -1 0 333.348 2.028 20 5 EEBDRM Cc1cnc(N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000582907480 468614858 /nfs/dbraw/zinc/61/48/58/468614858.db2.gz IHKPAXXMSNAJJE-OCCSQVGLSA-N -1 0 335.360 2.004 20 5 EEBDRM C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000592137603 468634423 /nfs/dbraw/zinc/63/44/23/468634423.db2.gz KDAFJTNEUBBEMK-UWVGGRQHSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC([C@@H]3CCCCO3)CC2)c1[N+](=O)[O-] ZINC000594734781 468667793 /nfs/dbraw/zinc/66/77/93/468667793.db2.gz FDZHAFNQZHZHDK-ZDUSSCGKSA-N -1 0 335.360 2.474 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000600878118 468673304 /nfs/dbraw/zinc/67/33/04/468673304.db2.gz VLVGBVSCTGMVCQ-AWEZNQCLSA-N -1 0 335.360 2.309 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC2([C@@H](C)CCO)CCC2)n1 ZINC000570685978 468677774 /nfs/dbraw/zinc/67/77/74/468677774.db2.gz COIQRXIVIXMZDC-JTQLQIEISA-N -1 0 337.376 2.597 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C)(C(=O)[O-])CC1 ZINC000592396900 468690130 /nfs/dbraw/zinc/69/01/30/468690130.db2.gz DMNUEXQFOGZEHO-UHFFFAOYSA-N -1 0 335.360 2.028 20 5 EEBDRM O=C([O-])c1ccc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000592427513 468695410 /nfs/dbraw/zinc/69/54/10/468695410.db2.gz ZDOFVGSFXWRACI-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@]2(CO)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000583633760 468732375 /nfs/dbraw/zinc/73/23/75/468732375.db2.gz UZDDTJGBDXPOQU-GUYCJALGSA-N -1 0 343.339 2.266 20 5 EEBDRM CC[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000592953257 468827072 /nfs/dbraw/zinc/82/70/72/468827072.db2.gz UNFZCQOLAZUNEV-NSHDSACASA-N -1 0 335.360 2.036 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000592970218 468831331 /nfs/dbraw/zinc/83/13/31/468831331.db2.gz WXSRRAAQEVAONA-JTQLQIEISA-N -1 0 331.332 2.104 20 5 EEBDRM O=C([O-])c1cnc(N2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000592976042 468831953 /nfs/dbraw/zinc/83/19/53/468831953.db2.gz UYWQBIBWHDEIPA-GFCCVEGCSA-N -1 0 328.328 2.152 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000561969367 468913695 /nfs/dbraw/zinc/91/36/95/468913695.db2.gz NNIJWXFEUPVVME-JTQLQIEISA-N -1 0 348.277 2.484 20 5 EEBDRM CN(CCC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000593312549 468935669 /nfs/dbraw/zinc/93/56/69/468935669.db2.gz SORUJFRUOCRTNL-UHFFFAOYSA-N -1 0 344.389 2.350 20 5 EEBDRM O=C([O-])CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000598659257 468949727 /nfs/dbraw/zinc/94/97/27/468949727.db2.gz SMYSFLKFOGQFKK-UHFFFAOYSA-N -1 0 335.360 2.253 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C1CC1 ZINC000593703910 469102549 /nfs/dbraw/zinc/10/25/49/469102549.db2.gz QZJYFDBDEQSLGZ-NWDGAFQWSA-N -1 0 338.747 2.431 20 5 EEBDRM O=C([O-])C1(O)CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000573327356 469108913 /nfs/dbraw/zinc/10/89/13/469108913.db2.gz GPMGSGBBYKXTQE-UHFFFAOYSA-N -1 0 343.339 2.073 20 5 EEBDRM CCCC[C@@H](COC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619484921 469621171 /nfs/dbraw/zinc/62/11/71/469621171.db2.gz QNXKFAYKWIDUCL-NSHDSACASA-N -1 0 346.405 2.087 20 5 EEBDRM CC(C)(CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000262944839 535032056 /nfs/dbraw/zinc/03/20/56/535032056.db2.gz HZKWQXSVFQJFQG-UHFFFAOYSA-N -1 0 333.344 2.167 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000262563968 535704790 /nfs/dbraw/zinc/70/47/90/535704790.db2.gz ZLIVHUDVYUGOEG-BMIGLBTASA-N -1 0 333.344 2.165 20 5 EEBDRM COc1ccc(OC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c([N+](=O)[O-])c1 ZINC000738104098 577999600 /nfs/dbraw/zinc/99/96/00/577999600.db2.gz BQTDDMSFXYRUAK-UHFFFAOYSA-N -1 0 334.284 2.466 20 5 EEBDRM COc1ccccc1OCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738135498 578000599 /nfs/dbraw/zinc/00/05/99/578000599.db2.gz IMANCPHJDGSAIB-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000738252010 578006159 /nfs/dbraw/zinc/00/61/59/578006159.db2.gz QTVADPWSUCVONT-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cs1 ZINC000725822718 576048258 /nfs/dbraw/zinc/04/82/58/576048258.db2.gz GLUNAVZXBLTZSN-UHFFFAOYSA-N -1 0 347.805 2.492 20 5 EEBDRM COc1ccc(NC(=O)[C@H](C)SC[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000738027009 576723997 /nfs/dbraw/zinc/72/39/97/576723997.db2.gz SJGVSPIZDFZYOC-IUCAKERBSA-N -1 0 342.373 2.384 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000738664746 577074330 /nfs/dbraw/zinc/07/43/30/577074330.db2.gz OFVWBTBEEYJHBR-UHFFFAOYSA-N -1 0 336.329 2.024 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000731547801 577106207 /nfs/dbraw/zinc/10/62/07/577106207.db2.gz ZGIUSLZYVXTZOV-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM O=C(NC[C@@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000771932083 577239696 /nfs/dbraw/zinc/23/96/96/577239696.db2.gz NFPGHCFMLCYIIO-LLVKDONJSA-N -1 0 328.324 2.282 20 5 EEBDRM O=C(NCc1nnc(-c2ccccc2)[nH]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772671197 577288996 /nfs/dbraw/zinc/28/89/96/577288996.db2.gz KRBDPYQLRDUOOH-UHFFFAOYSA-N -1 0 339.311 2.016 20 5 EEBDRM CS[C@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000773758047 577363262 /nfs/dbraw/zinc/36/32/62/577363262.db2.gz UCISXEGPEIPNAK-SNVBAGLBSA-N -1 0 346.430 2.073 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000776510969 577461195 /nfs/dbraw/zinc/46/11/95/577461195.db2.gz FOIBCODUJRBCCQ-BDAKNGLRSA-N -1 0 346.792 2.489 20 5 EEBDRM CCCCS(=O)(=O)[N-]C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000777287032 577476011 /nfs/dbraw/zinc/47/60/11/577476011.db2.gz NTESLRUGDALYID-UHFFFAOYSA-N -1 0 332.403 2.176 20 5 EEBDRM Nc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1[N+](=O)[O-] ZINC000777378381 577477650 /nfs/dbraw/zinc/47/76/50/577477650.db2.gz ZAWJQOMAXQPNCV-UHFFFAOYSA-N -1 0 341.323 2.074 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000766370562 577518067 /nfs/dbraw/zinc/51/80/67/577518067.db2.gz LQMAZBSTWHMLLE-UHFFFAOYSA-N -1 0 336.251 2.126 20 5 EEBDRM O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000768970818 577566808 /nfs/dbraw/zinc/56/68/08/577566808.db2.gz QQHKWXSREAVMJO-UHFFFAOYSA-N -1 0 340.295 2.444 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000750677417 577741030 /nfs/dbraw/zinc/74/10/30/577741030.db2.gz FZVJNMUVSKCZRV-NSHDSACASA-N -1 0 340.401 2.367 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@H](O)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000738694739 578024035 /nfs/dbraw/zinc/02/40/35/578024035.db2.gz VERJSCYTRANPFS-JTQLQIEISA-N -1 0 339.254 2.112 20 5 EEBDRM Cc1nc2n(n1)C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000738882570 578029851 /nfs/dbraw/zinc/02/98/51/578029851.db2.gz ZXNKBZGXGWMBEP-AUXFESMGSA-N -1 0 343.343 2.019 20 5 EEBDRM Cc1nn(CCC(=O)Nc2sccc2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738923149 578031171 /nfs/dbraw/zinc/03/11/71/578031171.db2.gz QSJHYGGYCUCQCL-UHFFFAOYSA-N -1 0 338.345 2.197 20 5 EEBDRM Cn1ccnc1C(=O)c1ccc(SCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000739041816 578036120 /nfs/dbraw/zinc/03/61/20/578036120.db2.gz BPFDXNUDEZPHHH-UHFFFAOYSA-N -1 0 335.341 2.126 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cc(F)ccc1F ZINC000739367662 578050610 /nfs/dbraw/zinc/05/06/10/578050610.db2.gz IKRPGHHPEKZBOG-NSHDSACASA-N -1 0 342.279 2.490 20 5 EEBDRM O=C([O-])c1cc(OCc2cnn(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000740088738 578080372 /nfs/dbraw/zinc/08/03/72/578080372.db2.gz XFCAAJBYUROXMP-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM CCc1nnc([C@@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000737285922 578248136 /nfs/dbraw/zinc/24/81/36/578248136.db2.gz WMGPSIOGYOGYQJ-SSDOTTSWSA-N -1 0 335.272 2.156 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262389956 600024022 /nfs/dbraw/zinc/02/40/22/600024022.db2.gz RCAQXNCZHWPVIV-SECBINFHSA-N -1 0 344.751 2.339 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])CC2 ZINC000833178891 600758286 /nfs/dbraw/zinc/75/82/86/600758286.db2.gz VJGXXWDPCFPBQM-CYBMUJFWSA-N -1 0 347.371 2.034 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC(OCC3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000263572315 600791397 /nfs/dbraw/zinc/79/13/97/600791397.db2.gz KUSCPSLREBFTLE-UHFFFAOYSA-N -1 0 348.355 2.324 20 5 EEBDRM Cc1cc(NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000832896759 600986530 /nfs/dbraw/zinc/98/65/30/600986530.db2.gz MBRXROZJZUOEGX-GFCCVEGCSA-N -1 0 331.328 2.359 20 5 EEBDRM Cc1ccccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000832981686 601243892 /nfs/dbraw/zinc/24/38/92/601243892.db2.gz LYACNJDVRSHKMK-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM CCCCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000829347958 601403752 /nfs/dbraw/zinc/40/37/52/601403752.db2.gz NKWWOTIYEXNWKX-NSHDSACASA-N -1 0 344.389 2.215 20 5 EEBDRM CCOC(=O)c1ccnc(N[C@@H](C(=O)[O-])C(C)(C)C)c1[N+](=O)[O-] ZINC000829885017 601591790 /nfs/dbraw/zinc/59/17/90/601591790.db2.gz AQTWMYSFDPTDBQ-JTQLQIEISA-N -1 0 325.321 2.078 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2c[nH]c3ncccc23)cc([N+](=O)[O-])c1 ZINC000833117049 601673543 /nfs/dbraw/zinc/67/35/43/601673543.db2.gz YYTFLKMBDOYUGA-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)ccn1 ZINC000833144561 601689739 /nfs/dbraw/zinc/68/97/39/601689739.db2.gz YDHPLUGVGGRHIG-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCSc3ccncc32)cc([N+](=O)[O-])c1 ZINC000833296286 601845845 /nfs/dbraw/zinc/84/58/45/601845845.db2.gz QCUHHMHEZUGOFG-UHFFFAOYSA-N -1 0 345.336 2.441 20 5 EEBDRM CC(C)C[C@@H](NC(=O)COc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000826794251 602125547 /nfs/dbraw/zinc/12/55/47/602125547.db2.gz WUEPJZJQOFDHIW-SNVBAGLBSA-N -1 0 344.751 2.243 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000828672083 602208787 /nfs/dbraw/zinc/20/87/87/602208787.db2.gz MBLLYYXDSBHOKR-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM CCC(=O)N1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000828562258 602326304 /nfs/dbraw/zinc/32/63/04/602326304.db2.gz MVPONFCVZXOVNJ-RNZFLTOJSA-N -1 0 333.344 2.115 20 5 EEBDRM C[C@H]1C[C@@H](CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833598324 604837076 /nfs/dbraw/zinc/83/70/76/604837076.db2.gz VOVSAYNFQFNIRO-IUCAKERBSA-N -1 0 339.304 2.428 20 5 EEBDRM CC(C)(C)C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000833425650 605234990 /nfs/dbraw/zinc/23/49/90/605234990.db2.gz DHJKHVYDABRTJV-GFCCVEGCSA-N -1 0 325.317 2.406 20 5 EEBDRM CC(C)(C)C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833428685 605235505 /nfs/dbraw/zinc/23/55/05/605235505.db2.gz WRROUWSYJUBVRS-GFCCVEGCSA-N -1 0 325.317 2.406 20 5 EEBDRM COc1cc(O)cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000833728490 605766494 /nfs/dbraw/zinc/76/64/94/605766494.db2.gz GGEYBVYFABCCJI-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM CC(C)CCn1ccc([N-]c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)n1 ZINC000824249945 609553245 /nfs/dbraw/zinc/55/32/45/609553245.db2.gz YXGJSYZDWKCARA-UHFFFAOYSA-N -1 0 343.351 2.156 20 5 EEBDRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013469600 682910771 /nfs/dbraw/zinc/91/07/71/682910771.db2.gz TZXNENMLKZEZKA-NEPJUHHUSA-N -1 0 335.272 2.109 20 5 EEBDRM O=C([O-])C1(NC(=O)CNc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000191244381 689593083 /nfs/dbraw/zinc/59/30/83/689593083.db2.gz FQQYZASXUBOTSW-UHFFFAOYSA-N -1 0 335.360 2.301 20 5 EEBDRM COc1ccccc1OCCN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436775561 1189726523 /nfs/dbraw/zinc/72/65/23/1189726523.db2.gz QIVZYGFORNRYJP-UHFFFAOYSA-N -1 0 346.339 2.460 20 5 EEBDRM Cc1cc(=O)c(COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n[n-]1 ZINC000802173116 1237045755 /nfs/dbraw/zinc/04/57/55/1237045755.db2.gz YQRYVPSPWYSROG-SECBINFHSA-N -1 0 335.291 2.385 20 5 EEBDRM Cc1[nH]ccc1C(=O)N1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001057306810 1243196774 /nfs/dbraw/zinc/19/67/74/1243196774.db2.gz XIFXBQJFJPFGTP-UHFFFAOYSA-N -1 0 345.359 2.049 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)CCC=C(C)C)c1[N+](=O)[O-] ZINC001226650007 1301493413 /nfs/dbraw/zinc/49/34/13/1301493413.db2.gz MZCVWMHTEHTNSP-VIFPVBQESA-N -1 0 325.321 2.391 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](C)c2cccc(F)c2)c1[N+](=O)[O-] ZINC001226650111 1301493956 /nfs/dbraw/zinc/49/39/56/1301493956.db2.gz PTNSBEJSMUGJRE-SSDOTTSWSA-N -1 0 337.263 2.156 20 5 EEBDRM CSc1nc(O[C@@H](C)c2cccnc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227626913 1301913609 /nfs/dbraw/zinc/91/36/09/1301913609.db2.gz CFICXPBWTDGMAP-LURJTMIESA-N -1 0 326.309 2.486 20 5 EEBDRM CC(C)(C)OC(=O)N1CC(Oc2cc(O)cc([O-])c2[N+](=O)[O-])C1 ZINC001228968991 1302550573 /nfs/dbraw/zinc/55/05/73/1302550573.db2.gz WAVJJPRZCCYIRW-UHFFFAOYSA-N -1 0 326.305 2.004 20 5 EEBDRM COc1ccc(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)cn1 ZINC001247986362 1310810637 /nfs/dbraw/zinc/81/06/37/1310810637.db2.gz AMXKRYNVCPVJHY-UHFFFAOYSA-N -1 0 328.284 2.345 20 5 EEBDRM CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000835276922 1314908940 /nfs/dbraw/zinc/90/89/40/1314908940.db2.gz QYEJFZWIHVORIS-NXEZZACHSA-N -1 0 344.364 2.221 20 5 EEBDRM O=C([N-]S(=O)(=O)[C@H]1CC2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000835558922 1314928125 /nfs/dbraw/zinc/92/81/25/1314928125.db2.gz KABUMQSZDMORRD-MGULZYLOSA-N -1 0 338.385 2.233 20 5 EEBDRM C/C=C(/CC)C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842403523 1315698543 /nfs/dbraw/zinc/69/85/43/1315698543.db2.gz DRFBXCBLIZIIIN-WCIBSUBMSA-N -1 0 326.374 2.206 20 5 EEBDRM Cn1c(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc2ccccc21 ZINC001254367202 1318052550 /nfs/dbraw/zinc/05/25/50/1318052550.db2.gz KWNWVCPBDBVSDJ-UHFFFAOYSA-N -1 0 340.339 2.160 20 5 EEBDRM C[C@@H]1SCCN(c2nnc(-c3cccc([O-])c3[N+](=O)[O-])n2C)[C@H]1C ZINC001262891955 1322390998 /nfs/dbraw/zinc/39/09/98/1322390998.db2.gz LQMLFAXSMBZTNO-UWVGGRQHSA-N -1 0 349.416 2.426 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001608502831 1351705748 /nfs/dbraw/zinc/70/57/48/1351705748.db2.gz XPMUAXWEHWWDOV-KNVOCYPGSA-N -1 0 345.258 2.181 20 5 EEBDRM Cc1cc(C(=O)OCc2ccccc2CC(=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC001600138170 1349978313 /nfs/dbraw/zinc/97/83/13/1349978313.db2.gz GJWJLFCOJAFEPY-UHFFFAOYSA-N -1 0 344.323 2.470 20 5 EEBDRM O=C([O-])c1nc[nH]c1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001601288880 1350249802 /nfs/dbraw/zinc/24/98/02/1350249802.db2.gz CBILGGLHBRTRTE-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001602209771 1350466703 /nfs/dbraw/zinc/46/67/03/1350466703.db2.gz LSJNZYFZZWJWHG-SNVBAGLBSA-N -1 0 348.689 2.112 20 5 EEBDRM CCCC[C@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001605242619 1351114183 /nfs/dbraw/zinc/11/41/83/1351114183.db2.gz SHDOYRAEANQZTM-JTQLQIEISA-N -1 0 328.296 2.116 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001608577399 1351719421 /nfs/dbraw/zinc/71/94/21/1351719421.db2.gz JNHMGKSGJQULFQ-OAHLLOKOSA-N -1 0 335.291 2.248 20 5 EEBDRM O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001309068655 1331616769 /nfs/dbraw/zinc/61/67/69/1331616769.db2.gz LHNYWZMFIUGXQF-UHFFFAOYSA-N -1 0 342.760 2.432 20 5 EEBDRM O=C([O-])C1=NO[C@]2(CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC001608593515 1351722347 /nfs/dbraw/zinc/72/23/47/1351722347.db2.gz QGZGFNLOQIPGIY-CYBMUJFWSA-N -1 0 343.698 2.197 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NC[C@@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC001608660734 1351736382 /nfs/dbraw/zinc/73/63/82/1351736382.db2.gz AGHACPKPWKKNFH-DWMUBGRBSA-N -1 0 345.355 2.115 20 5 EEBDRM O=C([O-])C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CC1 ZINC001608668453 1351737898 /nfs/dbraw/zinc/73/78/98/1351737898.db2.gz PWERZASXLZCWIK-LLVKDONJSA-N -1 0 333.344 2.392 20 5 EEBDRM O=C([O-])CN(CCC(F)(F)F)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001608744692 1351754365 /nfs/dbraw/zinc/75/43/65/1351754365.db2.gz UMJCBBQWAPVKLP-ZZXKWVIFSA-N -1 0 346.261 2.474 20 5 EEBDRM O=C([O-])[C@]12CN(c3nc4ccc([N+](=O)[O-])cc4s3)C[C@H]1COCC2 ZINC001608818018 1351770968 /nfs/dbraw/zinc/77/09/68/1351770968.db2.gz VGKFFFUIPATCPP-BJOHPYRUSA-N -1 0 349.368 2.132 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](C2OCCO2)C1 ZINC001608863263 1351780837 /nfs/dbraw/zinc/78/08/37/1351780837.db2.gz ZFNGJSKQZNSXSQ-MRVPVSSYSA-N -1 0 342.735 2.146 20 5 EEBDRM CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001320513660 1332900566 /nfs/dbraw/zinc/90/05/66/1332900566.db2.gz OWNOVAININLPJP-LBPRGKRZSA-N -1 0 326.374 2.226 20 5 EEBDRM C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609762101 1352078541 /nfs/dbraw/zinc/07/85/41/1352078541.db2.gz UKACJCPANRADMK-JSGCOSHPSA-N -1 0 336.388 2.270 20 5 EEBDRM C[C@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(=O)[O-] ZINC001609789945 1352085921 /nfs/dbraw/zinc/08/59/21/1352085921.db2.gz MEYDFJVWUNIUPB-UWVGGRQHSA-N -1 0 337.328 2.310 20 5 EEBDRM CSCCCN(C)c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001339916459 1337096021 /nfs/dbraw/zinc/09/60/21/1337096021.db2.gz LJOYIFUHKXQDFP-UHFFFAOYSA-N -1 0 337.405 2.285 20 5 EEBDRM C[C@@H]1COCC[C@H]1c1noc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001609879231 1352109979 /nfs/dbraw/zinc/10/99/79/1352109979.db2.gz WERLMVWEZYTQCC-PRHODGIISA-N -1 0 333.300 2.483 20 5 EEBDRM CC[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC001609936498 1352124055 /nfs/dbraw/zinc/12/40/55/1352124055.db2.gz QXDHSCAMYOCKCQ-CQSZACIVSA-N -1 0 336.344 2.218 20 5 EEBDRM CO[C@@H]1CCC[C@H]([C@H]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])C(=O)[O-])C1 ZINC001610234422 1352191752 /nfs/dbraw/zinc/19/17/52/1352191752.db2.gz JUQQBBUCWSLZPH-ZBINZKHDSA-N -1 0 338.360 2.048 20 5 EEBDRM CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847893139 1338366815 /nfs/dbraw/zinc/36/68/15/1338366815.db2.gz ONHKPAUJATXSIX-LLVKDONJSA-N -1 0 343.405 2.401 20 5 EEBDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000848029549 1338459206 /nfs/dbraw/zinc/45/92/06/1338459206.db2.gz JLKOWVSFZLTSLD-UHFFFAOYSA-N -1 0 333.348 2.260 20 5 EEBDRM COc1cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001610303490 1352202475 /nfs/dbraw/zinc/20/24/75/1352202475.db2.gz IUDLLUPXSJTJQW-UHFFFAOYSA-N -1 0 348.315 2.400 20 5 EEBDRM COc1ccccc1NC(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610365889 1352211637 /nfs/dbraw/zinc/21/16/37/1352211637.db2.gz YVKDGFQHGVRNMJ-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001610394510 1352215755 /nfs/dbraw/zinc/21/57/55/1352215755.db2.gz IZVBFMBBVSCEJU-AWEZNQCLSA-N -1 0 344.270 2.276 20 5 EEBDRM Cc1cc(C)cc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C(=O)[O-])c1 ZINC001610456882 1352225408 /nfs/dbraw/zinc/22/54/08/1352225408.db2.gz ORGGXEXVACXKEM-CQSZACIVSA-N -1 0 329.312 2.162 20 5 EEBDRM Cc1oc(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001610586786 1352249865 /nfs/dbraw/zinc/24/98/65/1352249865.db2.gz FOHHQWOJHFZYJV-UHFFFAOYSA-N -1 0 345.260 2.101 20 5 EEBDRM O=C([O-])[C@]12CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC001610804071 1352277506 /nfs/dbraw/zinc/27/75/06/1352277506.db2.gz COVPDRKEYIBQIL-LKFCYVNXSA-N -1 0 326.736 2.176 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CCSc2ccc(F)cc2)c1 ZINC001610817494 1352279939 /nfs/dbraw/zinc/27/99/39/1352279939.db2.gz LITYIAIDXFYXQO-UHFFFAOYSA-N -1 0 338.316 2.386 20 5 EEBDRM O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(=O)[O-] ZINC001610885087 1352290744 /nfs/dbraw/zinc/29/07/44/1352290744.db2.gz MGPFSDVHFHREDM-UHFFFAOYSA-N -1 0 344.279 2.123 20 5 EEBDRM O=C(Nc1cc(-c2nn[nH]n2)ccc1F)c1csc([N+](=O)[O-])c1 ZINC001583571318 1344918824 /nfs/dbraw/zinc/91/88/24/1344918824.db2.gz XDBNGDYVTNJRNM-UHFFFAOYSA-N -1 0 334.292 2.228 20 5 EEBDRM CC[C@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001590421567 1349317593 /nfs/dbraw/zinc/31/75/93/1349317593.db2.gz KRUNNETVZIUCJJ-ZCFIWIBFSA-N -1 0 345.285 2.500 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001592197389 1349603030 /nfs/dbraw/zinc/60/30/30/1349603030.db2.gz JUQZYKHISNDVLN-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM CO[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C(=O)[O-])C1 ZINC001599121948 1349946240 /nfs/dbraw/zinc/94/62/40/1349946240.db2.gz YNOGZSAUEHMEDE-NWDGAFQWSA-N -1 0 348.311 2.045 20 5 EEBDRM Cc1c(NC(=O)N2CCOC[C@@H]2C2CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600037199 1349959402 /nfs/dbraw/zinc/95/94/02/1349959402.db2.gz LGORNASQDHBULH-CQSZACIVSA-N -1 0 349.343 2.244 20 5 EEBDRM Cc1c(NC(=O)N[C@H](C)c2nccn2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600038544 1349959646 /nfs/dbraw/zinc/95/96/46/1349959646.db2.gz BZNHLBHORDSTFS-SECBINFHSA-N -1 0 347.331 2.218 20 5 EEBDRM Cc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600097454 1349970698 /nfs/dbraw/zinc/97/06/98/1349970698.db2.gz LAQJGQMAVDSKLQ-OAHLLOKOSA-N -1 0 346.314 2.468 20 5 EEBDRM Cc1cc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])oc1C(=O)[O-] ZINC001600198033 1349990566 /nfs/dbraw/zinc/99/05/66/1349990566.db2.gz FZVQCTYWNASUDZ-UHFFFAOYSA-N -1 0 348.311 2.280 20 5 EEBDRM Cc1cc(N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC001600243300 1350000464 /nfs/dbraw/zinc/00/04/64/1350000464.db2.gz LMPBIEKFBJAGMT-UONOGXRCSA-N -1 0 343.339 2.308 20 5 EEBDRM Cc1cc(NCCCNC(=O)C2CCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600280996 1350009942 /nfs/dbraw/zinc/00/99/42/1350009942.db2.gz OGRTVVGFRLRXGH-UHFFFAOYSA-N -1 0 335.360 2.320 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])n1 ZINC001600304556 1350015800 /nfs/dbraw/zinc/01/58/00/1350015800.db2.gz YJFDEKHACJXNRM-LBPRGKRZSA-N -1 0 335.360 2.309 20 5 EEBDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC001600370363 1350032029 /nfs/dbraw/zinc/03/20/29/1350032029.db2.gz GOWULQNJHRMBGL-OAHLLOKOSA-N -1 0 343.339 2.431 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])n(C)n2)cc1[N+](=O)[O-] ZINC001600372320 1350032398 /nfs/dbraw/zinc/03/23/98/1350032398.db2.gz JGNNAVGSMHLSJX-VIFPVBQESA-N -1 0 347.331 2.218 20 5 EEBDRM Cc1ccc(CN(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc1 ZINC001600409054 1350043057 /nfs/dbraw/zinc/04/30/57/1350043057.db2.gz PCWHXNKQHPHMLX-UHFFFAOYSA-N -1 0 329.312 2.269 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)n1C ZINC001600718910 1350120431 /nfs/dbraw/zinc/12/04/31/1350120431.db2.gz XXXRWMUSYAWDMJ-RKDXNWHRSA-N -1 0 335.320 2.045 20 5 EEBDRM O=C([O-])c1ccoc1COC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001601283538 1350248352 /nfs/dbraw/zinc/24/83/52/1350248352.db2.gz YUJVIFLDWPGITE-UHFFFAOYSA-N -1 0 335.268 2.398 20 5 EEBDRM O=C([O-])c1sccc1NC(=O)COc1ccsc1[N+](=O)[O-] ZINC001601345427 1350262577 /nfs/dbraw/zinc/26/25/77/1350262577.db2.gz HDUJDLUMKVSYDX-UHFFFAOYSA-N -1 0 328.327 2.434 20 5 EEBDRM O=C([O-])C1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC001601351726 1350263912 /nfs/dbraw/zinc/26/39/12/1350263912.db2.gz QRSDVJJHTWNPPZ-UHFFFAOYSA-N -1 0 342.298 2.177 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)s1 ZINC001601391780 1350272621 /nfs/dbraw/zinc/27/26/21/1350272621.db2.gz WOCZHMOMDISQFW-UHFFFAOYSA-N -1 0 346.324 2.343 20 5 EEBDRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001601408760 1350277774 /nfs/dbraw/zinc/27/77/74/1350277774.db2.gz KNNGMPFQZRSXBZ-NEPJUHHUSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@H](C[C@H]1CCCOC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001601642827 1350326897 /nfs/dbraw/zinc/32/68/97/1350326897.db2.gz QLYUDAAXXRBUCN-YGRLFVJLSA-N -1 0 346.343 2.220 20 5 EEBDRM O=C([O-])[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCOC1 ZINC001601655880 1350329552 /nfs/dbraw/zinc/32/95/52/1350329552.db2.gz UBJQBKTWRLQTKK-MFKMUULPSA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])C12CCC(C(=O)NCCNc3ccccc3[N+](=O)[O-])(CC1)C2 ZINC001601730353 1350350073 /nfs/dbraw/zinc/35/00/73/1350350073.db2.gz SBIOTINMZATZBV-UHFFFAOYSA-N -1 0 347.371 2.158 20 5 EEBDRM O=C([O-])C12CC(c3nc(CCNc4ccccc4[N+](=O)[O-])no3)(C1)C2 ZINC001601730795 1350350322 /nfs/dbraw/zinc/35/03/22/1350350322.db2.gz QFHINFPSUUZLPN-UHFFFAOYSA-N -1 0 344.327 2.139 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1F ZINC001601815144 1350371558 /nfs/dbraw/zinc/37/15/58/1350371558.db2.gz ORRLFBAKKNRXOP-JOYOIKCWSA-N -1 0 347.320 2.086 20 5 EEBDRM O=C([O-])CN(CCC(F)(F)F)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001602054179 1350428535 /nfs/dbraw/zinc/42/85/35/1350428535.db2.gz GGODKUUYYSZIQD-UHFFFAOYSA-N -1 0 334.250 2.003 20 5 EEBDRM O=C([O-])Cc1cccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC001602141094 1350449180 /nfs/dbraw/zinc/44/91/80/1350449180.db2.gz OFKSOXSXTBDCNV-UHFFFAOYSA-N -1 0 345.311 2.000 20 5 EEBDRM O=C([O-])Cc1csc(NC(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001602153475 1350453217 /nfs/dbraw/zinc/45/32/17/1350453217.db2.gz RICHRIJJQLKJDJ-UHFFFAOYSA-N -1 0 325.277 2.070 20 5 EEBDRM O=C([O-])[C@]12CN(c3ccc([N+](=O)[O-])cc3C(F)F)C[C@H]1COCC2 ZINC001602208162 1350466160 /nfs/dbraw/zinc/46/61/60/1350466160.db2.gz BPEZSUMKSSTETN-BJOHPYRUSA-N -1 0 342.298 2.460 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)no1 ZINC001602242698 1350474455 /nfs/dbraw/zinc/47/44/55/1350474455.db2.gz DWIJHDGFNCNAQP-UHFFFAOYSA-N -1 0 331.284 2.264 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001602244270 1350475161 /nfs/dbraw/zinc/47/51/61/1350475161.db2.gz ZPFXKHVJQPTHQL-CABCVRRESA-N -1 0 348.355 2.467 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@]1(CCO)CCOC1 ZINC001602298565 1350487936 /nfs/dbraw/zinc/48/79/36/1350487936.db2.gz MLDASXOBWKOBEW-CQSZACIVSA-N -1 0 344.751 2.147 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC1SCCS1 ZINC001602299058 1350488157 /nfs/dbraw/zinc/48/81/57/1350488157.db2.gz FJOFMPGXDSFGBB-UHFFFAOYSA-N -1 0 345.358 2.419 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2ncc(-c3ccccc3)o2)c1=O ZINC001602301197 1350488803 /nfs/dbraw/zinc/48/88/03/1350488803.db2.gz GZOQOQPOIWRMAY-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM O=C([O-])c1ccc(OC[C@H]2CC3(CO2)CCOCC3)c([N+](=O)[O-])c1 ZINC001602390372 1350509153 /nfs/dbraw/zinc/50/91/53/1350509153.db2.gz YCFDAOLWWMENAA-GFCCVEGCSA-N -1 0 337.328 2.258 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc(-n3cccn3)cc2)n1 ZINC001602405704 1350511936 /nfs/dbraw/zinc/51/19/36/1350511936.db2.gz GRRQWOYWYUYRTF-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])c1coc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC001602549705 1350544199 /nfs/dbraw/zinc/54/41/99/1350544199.db2.gz VOOFCVBDRZEOLQ-UHFFFAOYSA-N -1 0 343.295 2.340 20 5 EEBDRM C[C@@H](OC(=O)c1occc1C(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001604419337 1350934558 /nfs/dbraw/zinc/93/45/58/1350934558.db2.gz OFOQAVDTEDRRRD-MRVPVSSYSA-N -1 0 348.267 2.070 20 5 EEBDRM CCc1noc(C)c1CNc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604586749 1350965235 /nfs/dbraw/zinc/96/52/35/1350965235.db2.gz UIMMKOLTANMSMZ-UHFFFAOYSA-N -1 0 347.310 2.385 20 5 EEBDRM C[C@@H]1CCCC[C@@H]1NC(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604726738 1350992118 /nfs/dbraw/zinc/99/21/18/1350992118.db2.gz OAAIYKBUVUVEPZ-PWSUYJOCSA-N -1 0 336.344 2.367 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001605062332 1351069495 /nfs/dbraw/zinc/06/94/95/1351069495.db2.gz YMWWQIZGRWBVMQ-BLLLJJGKSA-N -1 0 338.335 2.189 20 5 EEBDRM CC[C@]1(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CCOC1 ZINC001605146677 1351088458 /nfs/dbraw/zinc/08/84/58/1351088458.db2.gz FLEPSLUNBKUVKL-HNNXBMFYSA-N -1 0 337.332 2.292 20 5 EEBDRM CCN(CCC(=O)OC)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001605443733 1351158872 /nfs/dbraw/zinc/15/88/72/1351158872.db2.gz KXXKWUBNKMFUNO-UHFFFAOYSA-N -1 0 330.724 2.336 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001605707384 1351216429 /nfs/dbraw/zinc/21/64/29/1351216429.db2.gz IKGKUTFURMOUIH-KKOKHZNYSA-N -1 0 348.355 2.223 20 5 EEBDRM CN(C[C@@H]1CCCCO1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001606100894 1351270980 /nfs/dbraw/zinc/27/09/80/1351270980.db2.gz NFUCSDGJZLNCLA-JTQLQIEISA-N -1 0 339.304 2.207 20 5 EEBDRM Cc1c(NC(=O)N2CC[C@@H]3COC[C@H]3C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607545068 1351513577 /nfs/dbraw/zinc/51/35/77/1351513577.db2.gz QZUGVHCXCQRTGN-ZYHUDNBSSA-N -1 0 349.343 2.102 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCc3ccccc3[C@H]2CO)n1 ZINC001607589296 1351520474 /nfs/dbraw/zinc/52/04/74/1351520474.db2.gz QTCYYYVETMNQBY-CQSZACIVSA-N -1 0 343.339 2.093 20 5 EEBDRM Cc1cc(NC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)ccc1[N+](=O)[O-] ZINC001607684706 1351539133 /nfs/dbraw/zinc/53/91/33/1351539133.db2.gz QSPZKLNGOAMRHO-OAHLLOKOSA-N -1 0 337.332 2.049 20 5 EEBDRM Cc1ccc(C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001607732723 1351548364 /nfs/dbraw/zinc/54/83/64/1351548364.db2.gz SCQCZGVFMXEWDY-OAHLLOKOSA-N -1 0 344.323 2.165 20 5 EEBDRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001608361371 1351678928 /nfs/dbraw/zinc/67/89/28/1351678928.db2.gz YYVMODDEYXSFLL-OLZOCXBDSA-N -1 0 338.335 2.426 20 5 EEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1(C)CC1 ZINC000839061629 1372887428 /nfs/dbraw/zinc/88/74/28/1372887428.db2.gz KXWZFKMXSGJGQH-UHFFFAOYSA-N -1 0 341.389 2.022 20 5 EEBDRM O=C(NC[C@@]1(O)CCCc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780491927 758220507 /nfs/dbraw/zinc/22/05/07/758220507.db2.gz MAGXWHSPQLWIGV-SFHVURJKSA-N -1 0 342.351 2.254 20 5 EEBDRM Cc1c[nH]cc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920333860 770679385 /nfs/dbraw/zinc/67/93/85/770679385.db2.gz UJXUFYOOATYVGS-UHFFFAOYSA-N -1 0 343.748 2.003 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)NCCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000920933961 770918376 /nfs/dbraw/zinc/91/83/76/770918376.db2.gz DWIBZLHOEGRABK-UHFFFAOYSA-N -1 0 339.304 2.186 20 5 EEBDRM C[C@H](NC(=O)c1cc(-c2nn[nH]n2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000820392626 785896773 /nfs/dbraw/zinc/89/67/73/785896773.db2.gz XJNAUNATNHKXEM-QMMMGPOBSA-N -1 0 344.356 2.327 20 5 EEBDRM COc1ccccc1[C@@H](O)CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844209185 788928942 /nfs/dbraw/zinc/92/89/42/788928942.db2.gz XAAXBBWUEVFXRK-LBPRGKRZSA-N -1 0 347.327 2.151 20 5 EEBDRM Cc1cccc([C@@H](O)CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000844212451 788931042 /nfs/dbraw/zinc/93/10/42/788931042.db2.gz XPCSFPKNUBPLQL-ZDUSSCGKSA-N -1 0 331.328 2.450 20 5 EEBDRM Cc1c(Br)c(N2CCC[C@H]2C(=O)[O-])ncc1[N+](=O)[O-] ZINC000165655011 789540807 /nfs/dbraw/zinc/54/08/07/789540807.db2.gz YCCYYKMJGAGEPH-ZETCQYMHSA-N -1 0 330.138 2.114 20 5 EEBDRM O=C(Cc1cccc([N+](=O)[O-])c1)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000610846105 939807759 /nfs/dbraw/zinc/80/77/59/939807759.db2.gz KKJJZKFGFZYTQE-GOSISDBHSA-N -1 0 340.335 2.180 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001592815274 951366533 /nfs/dbraw/zinc/36/65/33/951366533.db2.gz GBMHWPXWZMYMBK-SECBINFHSA-N -1 0 337.332 2.463 20 5 EEBDRM CCc1[nH]nc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1[N+](=O)[O-] ZINC001593625630 953547602 /nfs/dbraw/zinc/54/76/02/953547602.db2.gz KVGPKRJAKONXCJ-JTQLQIEISA-N -1 0 344.327 2.099 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001589305051 953731648 /nfs/dbraw/zinc/73/16/48/953731648.db2.gz PDRZGJALQAXBGP-YPMHNXCESA-N -1 0 345.355 2.261 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001589382680 954289730 /nfs/dbraw/zinc/28/97/30/954289730.db2.gz JVBAJAYSJIKVBO-GYSYKLTISA-N -1 0 335.360 2.408 20 5 EEBDRM CC[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC001589525293 955108776 /nfs/dbraw/zinc/10/87/76/955108776.db2.gz TYFLTUNDJMTWNO-LLVKDONJSA-N -1 0 335.360 2.380 20 5 EEBDRM CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001589546227 955200542 /nfs/dbraw/zinc/20/05/42/955200542.db2.gz KEYUXSHQLKRTOL-ZETCQYMHSA-N -1 0 332.259 2.037 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000062874457 957618498 /nfs/dbraw/zinc/61/84/98/957618498.db2.gz QJQZWGCVTJPHHT-GFCCVEGCSA-N -1 0 344.165 2.443 20 5 EEBDRM Cn1ccnc1C[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001328605735 961215433 /nfs/dbraw/zinc/21/54/33/961215433.db2.gz DALLRDUVOZMVON-LBPRGKRZSA-N -1 0 344.371 2.486 20 5 EEBDRM CCc1cc(NC(=O)[C@H](C(=O)[O-])C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001573952376 961649027 /nfs/dbraw/zinc/64/90/27/961649027.db2.gz IUUDKLFQDYMDCK-OAHLLOKOSA-N -1 0 343.339 2.177 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001588886631 962178162 /nfs/dbraw/zinc/17/81/62/962178162.db2.gz PPTFELHULTYIQJ-SNVBAGLBSA-N -1 0 346.286 2.425 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001588916081 962343980 /nfs/dbraw/zinc/34/39/80/962343980.db2.gz YZXKOQRMCVLYPD-UHFFFAOYSA-N -1 0 331.328 2.265 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccnc1C(=O)[O-] ZINC001604180460 972601629 /nfs/dbraw/zinc/60/16/29/972601629.db2.gz KVLFLNOZESHZCS-UHFFFAOYSA-N -1 0 344.327 2.394 20 5 EEBDRM C[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C(=O)[O-] ZINC001603407835 973075089 /nfs/dbraw/zinc/07/50/89/973075089.db2.gz UYGRMZWHERRTAJ-LKFCYVNXSA-N -1 0 331.328 2.401 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[C@@H]1C(=O)[O-] ZINC001603470396 973336525 /nfs/dbraw/zinc/33/65/25/973336525.db2.gz HSLKPJSHCDGHTN-MFKMUULPSA-N -1 0 347.371 2.034 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001604739416 973951508 /nfs/dbraw/zinc/95/15/08/973951508.db2.gz YMPUFWYUICGGMK-CQSZACIVSA-N -1 0 348.286 2.298 20 5 EEBDRM CC(C)NC(=O)c1ccc(NCc2nc(C(=O)[O-])co2)c([N+](=O)[O-])c1 ZINC001591661038 975399422 /nfs/dbraw/zinc/39/94/22/975399422.db2.gz UPSBZXWWYFXYSU-UHFFFAOYSA-N -1 0 348.315 2.031 20 5 EEBDRM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001591671570 975430593 /nfs/dbraw/zinc/43/05/93/975430593.db2.gz ATSKPACNHYKHHS-UHFFFAOYSA-N -1 0 345.315 2.156 20 5 EEBDRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001592202455 977217900 /nfs/dbraw/zinc/21/79/00/977217900.db2.gz CPSKXFLYAHPPEC-AJCRVFRXSA-N -1 0 343.133 2.116 20 5 EEBDRM CC[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001595135381 979575134 /nfs/dbraw/zinc/57/51/34/979575134.db2.gz QPMLPMUCTTZRAE-VIFPVBQESA-N -1 0 326.324 2.239 20 5 EEBDRM O=C([O-])C1=CC[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000863479974 979672461 /nfs/dbraw/zinc/67/24/61/979672461.db2.gz GDLWHBNKIGKODB-CQSZACIVSA-N -1 0 347.371 2.012 20 5 EEBDRM CC[C@H]1[C@H](C)CCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595404937 980984372 /nfs/dbraw/zinc/98/43/72/980984372.db2.gz NDHPCDSJOLUGHY-SKDRFNHKSA-N -1 0 342.373 2.102 20 5 EEBDRM CO[C@]1(C(F)(F)F)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000903612289 980992910 /nfs/dbraw/zinc/99/29/10/980992910.db2.gz ZBAQVJZRJCJTBG-CYBMUJFWSA-N -1 0 348.277 2.446 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001594902572 982363496 /nfs/dbraw/zinc/36/34/96/982363496.db2.gz MYURWKSLGCHJTL-SDBXPKJASA-N -1 0 344.751 2.243 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001599954156 985658568 /nfs/dbraw/zinc/65/85/68/985658568.db2.gz AQAGHTDOICXRCM-UHFFFAOYSA-N -1 0 343.339 2.436 20 5 EEBDRM CC(=O)[C@@H]1C[C@H](C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1(C)C ZINC001589231165 985785139 /nfs/dbraw/zinc/78/51/39/985785139.db2.gz WJAQMIYNAXZJGD-NWDGAFQWSA-N -1 0 335.312 2.450 20 5 EEBDRM C[C@@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC001594539332 986169267 /nfs/dbraw/zinc/16/92/67/986169267.db2.gz RDQUOIRPDNYESS-GHMZBOCLSA-N -1 0 340.401 2.384 20 5 EEBDRM C[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])Cc2cncnc21 ZINC001594576626 986421311 /nfs/dbraw/zinc/42/13/11/986421311.db2.gz DBPBFSBWZLGQHK-JTQLQIEISA-N -1 0 328.328 2.136 20 5 EEBDRM CCOc1cc(NC(=O)N2CC[C@](F)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001597042449 986492863 /nfs/dbraw/zinc/49/28/63/986492863.db2.gz RAFNCZBCRKMUCM-CQSZACIVSA-N -1 0 341.295 2.024 20 5 EEBDRM CCOc1ccc(C(=O)OCc2cc(C(=O)[O-])no2)cc1[N+](=O)[O-] ZINC001597077775 986614187 /nfs/dbraw/zinc/61/41/87/986614187.db2.gz AGPXDFOGZIZECG-UHFFFAOYSA-N -1 0 336.256 2.037 20 5 EEBDRM C[C@@H]([C@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1F)[N+](=O)[O-] ZINC001589554046 987297007 /nfs/dbraw/zinc/29/70/07/987297007.db2.gz VVICHUFFJWEUHT-WJZNIJOASA-N -1 0 325.292 2.186 20 5 EEBDRM CC(C)(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589563513 987324561 /nfs/dbraw/zinc/32/45/61/987324561.db2.gz DMZAEMSDNYNAFK-JTQLQIEISA-N -1 0 348.277 2.236 20 5 EEBDRM C[C@@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)c1ccc([N+](=O)[O-])cc1 ZINC001599838029 988776397 /nfs/dbraw/zinc/77/63/97/988776397.db2.gz FZVQZKXTXNRJKY-LLVKDONJSA-N -1 0 346.343 2.147 20 5 EEBDRM C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001599838296 988781255 /nfs/dbraw/zinc/78/12/55/988781255.db2.gz CRXWUSKFNGMWNO-WKPIXPDZSA-N -1 0 347.371 2.408 20 5 EEBDRM CN(Cc1ccccc1)C(=O)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598526915 992731731 /nfs/dbraw/zinc/73/17/31/992731731.db2.gz CPTZJPTXLBZHRK-UHFFFAOYSA-N -1 0 343.339 2.364 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NC[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170162 994024927 /nfs/dbraw/zinc/02/49/27/994024927.db2.gz JETLFOCMDABBJI-ICCXJUOJSA-N -1 0 347.371 2.256 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171683 994033860 /nfs/dbraw/zinc/03/38/60/994033860.db2.gz YEOOUCJMQKIKER-IJLUTSLNSA-N -1 0 349.387 2.423 20 5 EEBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)[C@H]1CN(C)CCO1 ZINC001593365698 995042554 /nfs/dbraw/zinc/04/25/54/995042554.db2.gz GUTHLHJUYJLMAN-GZMMTYOYSA-N -1 0 343.767 2.077 20 5 EEBDRM COc1cc(CNC(=O)c2csc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC001599414739 997485100 /nfs/dbraw/zinc/48/51/00/997485100.db2.gz QQQZONZWURMNEL-UHFFFAOYSA-N -1 0 336.325 2.293 20 5 EEBDRM COc1cc(COC(=O)c2cnccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599417816 997540195 /nfs/dbraw/zinc/54/01/95/997540195.db2.gz RLUKEHJKOZTBOJ-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001594141619 998444988 /nfs/dbraw/zinc/44/49/88/998444988.db2.gz KVVNIQZWYYCSKY-GXSJLCMTSA-N -1 0 338.335 2.333 20 5 EEBDRM CO[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])[C@@H]1CCOC1 ZINC001599055197 999224707 /nfs/dbraw/zinc/22/47/07/999224707.db2.gz IROFXAGUDXVYEP-PELKAZGASA-N -1 0 344.751 2.410 20 5 EEBDRM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594446913 999640633 /nfs/dbraw/zinc/64/06/33/999640633.db2.gz DNHBNXBKMCQYJV-CLAHSXSESA-N -1 0 344.327 2.321 20 5 EEBDRM C[C@@H]1CCn2cc(C(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)nc2C1 ZINC001594452766 999653378 /nfs/dbraw/zinc/65/33/78/999653378.db2.gz YFDRKRTTZJZHHH-SECBINFHSA-N -1 0 345.311 2.291 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001601716981 1118717597 /nfs/dbraw/zinc/71/75/97/1118717597.db2.gz KXHAGEYVXAZKLJ-GFCCVEGCSA-N -1 0 347.140 2.356 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000262672181 295797331 /nfs/dbraw/zinc/79/73/31/295797331.db2.gz XMJSFRPYOIGMFP-NSHDSACASA-N -1 0 347.371 2.273 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000037984096 213181918 /nfs/dbraw/zinc/18/19/18/213181918.db2.gz VTGDLXMJZYWBGJ-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262089413 244799418 /nfs/dbraw/zinc/79/94/18/244799418.db2.gz GQONONNATKSGNO-SNVBAGLBSA-N -1 0 342.735 2.093 20 5 EEBDRM O=C([O-])C[C@@H]1CSCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000262555424 245033071 /nfs/dbraw/zinc/03/30/71/245033071.db2.gz WEUFPSSMRAGUFU-SNVBAGLBSA-N -1 0 349.368 2.108 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000262701702 245131213 /nfs/dbraw/zinc/13/12/13/245131213.db2.gz IHIBTPMJVZVLBY-ZJUUUORDSA-N -1 0 326.736 2.160 20 5 EEBDRM C[C@H](CC(=O)[O-])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000262967528 245275215 /nfs/dbraw/zinc/27/52/15/245275215.db2.gz LAADDEOVFKZXGW-RXMQYKEDSA-N -1 0 349.112 2.089 20 5 EEBDRM O=C([O-])c1csc(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000263102260 245328955 /nfs/dbraw/zinc/32/89/55/245328955.db2.gz RDIYCQNSDREAPJ-UHFFFAOYSA-N -1 0 349.368 2.041 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000493357829 246676669 /nfs/dbraw/zinc/67/66/69/246676669.db2.gz SYNRKJNKTXMDGG-TXNVCOODSA-N -1 0 336.319 2.364 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000266094582 248093058 /nfs/dbraw/zinc/09/30/58/248093058.db2.gz RGIKEENXWIRLBQ-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H](O)Cc1ccccc1 ZINC000163666424 255809678 /nfs/dbraw/zinc/80/96/78/255809678.db2.gz LAQHKOGEIOCBDH-IAQYHMDHSA-N -1 0 330.340 2.022 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000181704184 292293658 /nfs/dbraw/zinc/29/36/58/292293658.db2.gz UJGNONWZUKPOAS-UHFFFAOYSA-N -1 0 327.300 2.143 20 5 EEBDRM CN(Cc1cn2c(n1)CCCC2)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000377283002 154123089 /nfs/dbraw/zinc/12/30/89/154123089.db2.gz LLCQFPPQABPOKC-UHFFFAOYSA-N -1 0 330.344 2.105 20 5 EEBDRM CS(=O)(=O)c1ccc(NC2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000261638433 160404221 /nfs/dbraw/zinc/40/42/21/160404221.db2.gz CXEXVALXYDCTFV-UHFFFAOYSA-N -1 0 342.373 2.054 20 5 EEBDRM CCCC(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000089541102 159183186 /nfs/dbraw/zinc/18/31/86/159183186.db2.gz IPSVXXDKSVWKSS-NSHDSACASA-N -1 0 335.360 2.278 20 5 EEBDRM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000110095007 159357363 /nfs/dbraw/zinc/35/73/63/159357363.db2.gz YSUXJCUBELYHAU-NRFANRHFSA-N -1 0 340.382 2.133 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000123180204 159448030 /nfs/dbraw/zinc/44/80/30/159448030.db2.gz BGMOZBIJKMYICH-NSHDSACASA-N -1 0 334.353 2.330 20 5 EEBDRM C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000343100887 161103289 /nfs/dbraw/zinc/10/32/89/161103289.db2.gz YIXKKMCWWPZAII-GFCCVEGCSA-N -1 0 341.367 2.481 20 5 EEBDRM CCCN(CCC)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000355524264 163219322 /nfs/dbraw/zinc/21/93/22/163219322.db2.gz UEGDDFXFANRDBM-UHFFFAOYSA-N -1 0 344.389 2.412 20 5 EEBDRM COC(=O)c1c(C)[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000356301825 163398469 /nfs/dbraw/zinc/39/84/69/163398469.db2.gz YOICDGGEBYDIQG-UHFFFAOYSA-N -1 0 333.300 2.284 20 5 EEBDRM COC(=O)C1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCCCC1 ZINC000274592816 269039834 /nfs/dbraw/zinc/03/98/34/269039834.db2.gz JZTSAAAEDBBQRP-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000274959643 269079597 /nfs/dbraw/zinc/07/95/97/269079597.db2.gz BGPBCSBDEDOSGJ-NOZJJQNGSA-N -1 0 344.389 2.023 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCC(=O)[O-])C(C)C)c1C ZINC000275091123 269094323 /nfs/dbraw/zinc/09/43/23/269094323.db2.gz GUMFUAWLJOBOBB-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1cc(S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000275139285 269097708 /nfs/dbraw/zinc/09/77/08/269097708.db2.gz JWRHNVPUMYZBEV-JTQLQIEISA-N -1 0 344.389 2.071 20 5 EEBDRM CC(=O)N(CCc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1)C(C)C ZINC000278239044 269218126 /nfs/dbraw/zinc/21/81/26/269218126.db2.gz YDLQXDPNFSVWNH-UHFFFAOYSA-N -1 0 334.332 2.150 20 5 EEBDRM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1 ZINC000288687774 275080931 /nfs/dbraw/zinc/08/09/31/275080931.db2.gz VFKZJKHTUVRDTM-LLVKDONJSA-N -1 0 338.307 2.355 20 5 EEBDRM CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000295428886 293716828 /nfs/dbraw/zinc/71/68/28/293716828.db2.gz NFDVVCDLWGSXGZ-VIFPVBQESA-N -1 0 336.266 2.388 20 5 EEBDRM CC(C)CCOCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299371841 294727981 /nfs/dbraw/zinc/72/79/81/294727981.db2.gz FOCUQPBLNJWNHL-UHFFFAOYSA-N -1 0 334.369 2.075 20 5 EEBDRM Nc1c(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000345976298 303491642 /nfs/dbraw/zinc/49/16/42/303491642.db2.gz JEOPDSRODCHHMZ-GFCCVEGCSA-N -1 0 335.360 2.330 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCCCC(=O)[O-] ZINC000414610680 313047812 /nfs/dbraw/zinc/04/78/12/313047812.db2.gz KVOQEYLZWCWQTC-UHFFFAOYSA-N -1 0 339.348 2.048 20 5 EEBDRM Cc1cccc(N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1[N+](=O)[O-] ZINC000416452147 313226969 /nfs/dbraw/zinc/22/69/69/313226969.db2.gz ZYPVILOHVREGKS-CHWSQXEVSA-N -1 0 335.360 2.025 20 5 EEBDRM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])OCC1CC1 ZINC000416588995 313267007 /nfs/dbraw/zinc/26/70/07/313267007.db2.gz GAKGYVQMTSWSEK-UHFFFAOYSA-N -1 0 346.380 2.217 20 5 EEBDRM COCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000436812910 315001304 /nfs/dbraw/zinc/00/13/04/315001304.db2.gz YJSUQRSLIRQWEK-LBPRGKRZSA-N -1 0 340.401 2.285 20 5 EEBDRM COc1ccc(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OC)c1 ZINC000436956845 315015991 /nfs/dbraw/zinc/01/59/91/315015991.db2.gz PTOHIUQLJPWCCK-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM CCOC(=O)CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCC1 ZINC000436975336 315018518 /nfs/dbraw/zinc/01/85/18/315018518.db2.gz JOPZDFJNTKSVLN-UHFFFAOYSA-N -1 0 336.344 2.248 20 5 EEBDRM COc1ccc([C@@H](CO)N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436979016 315019596 /nfs/dbraw/zinc/01/95/96/315019596.db2.gz JZROQYSRMLGHCL-OAHLLOKOSA-N -1 0 346.339 2.115 20 5 EEBDRM Cc1nc(CNS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])sc1C ZINC000439221823 315070408 /nfs/dbraw/zinc/07/04/08/315070408.db2.gz DAPRPJIJRHONBJ-UHFFFAOYSA-N -1 0 341.414 2.455 20 5 EEBDRM Cn1nccc1N1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000519821019 316831033 /nfs/dbraw/zinc/83/10/33/316831033.db2.gz JEWFRWDEVHGXPE-GFCCVEGCSA-N -1 0 345.359 2.107 20 5 EEBDRM C[C@H](O)CN(Cc1ccccc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000541880564 318115098 /nfs/dbraw/zinc/11/50/98/318115098.db2.gz FYWRVMYMELYQAW-LBPRGKRZSA-N -1 0 330.340 2.324 20 5 EEBDRM Cc1ccc(S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548292459 318371642 /nfs/dbraw/zinc/37/16/42/318371642.db2.gz IQIXAHUEGUHMSF-JTQLQIEISA-N -1 0 344.389 2.071 20 5 EEBDRM CN(C[C@@H]1OCCc2ccccc21)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567355655 319372918 /nfs/dbraw/zinc/37/29/18/319372918.db2.gz JSLXAKKYHUBFQV-HNNXBMFYSA-N -1 0 343.339 2.438 20 5 EEBDRM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000573569278 319947024 /nfs/dbraw/zinc/94/70/24/319947024.db2.gz PQZDZNAYJQBULT-KOLCDFICSA-N -1 0 342.373 2.150 20 5 EEBDRM CC(C)(O)[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000574880956 320065980 /nfs/dbraw/zinc/06/59/80/320065980.db2.gz PDBVIBPQIWFTTA-LLVKDONJSA-N -1 0 328.752 2.329 20 5 EEBDRM Cc1nnc([C@@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000576162628 320146363 /nfs/dbraw/zinc/14/63/63/320146363.db2.gz MRJIQNKPPIGSSF-RXMQYKEDSA-N -1 0 326.696 2.136 20 5 EEBDRM CN(C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000578327675 320308149 /nfs/dbraw/zinc/30/81/49/320308149.db2.gz GMKAHHRWQSOAAE-UHFFFAOYSA-N -1 0 342.373 2.246 20 5 EEBDRM CC(C)(C)Cc1nnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000194866860 323504904 /nfs/dbraw/zinc/50/49/04/323504904.db2.gz WKSWVEXQOGAZSD-UHFFFAOYSA-N -1 0 340.361 2.367 20 5 EEBDRM Cc1ccn(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(=O)c1 ZINC000195063713 323505508 /nfs/dbraw/zinc/50/55/08/323505508.db2.gz OTNYUNPJRFUNEU-UHFFFAOYSA-N -1 0 337.719 2.063 20 5 EEBDRM C[C@@](CO)(CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])Cc1ccccc1 ZINC000580201442 324015229 /nfs/dbraw/zinc/01/52/29/324015229.db2.gz NIWRPQZURVOYKZ-KRWDZBQOSA-N -1 0 345.355 2.341 20 5 EEBDRM CC1(C)CC(CNS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000581729849 324312522 /nfs/dbraw/zinc/31/25/22/324312522.db2.gz MJOZPRVLUCGROH-UHFFFAOYSA-N -1 0 342.373 2.008 20 5 EEBDRM O=C([O-])c1ccc(CCNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000326893281 465045169 /nfs/dbraw/zinc/04/51/69/465045169.db2.gz GKRRHETYZHGTTR-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM CC[C@@]1(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000578886525 468274801 /nfs/dbraw/zinc/27/48/01/468274801.db2.gz ZBAHPNRBFLPENJ-AWEZNQCLSA-N -1 0 342.373 2.104 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000590638155 468293954 /nfs/dbraw/zinc/29/39/54/468293954.db2.gz GBTHZOMNBZLXNZ-WQAKAFBOSA-N -1 0 338.385 2.445 20 5 EEBDRM COC(=O)N[C@@H](CC(C)C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000496523218 468303395 /nfs/dbraw/zinc/30/33/95/468303395.db2.gz HXPQZZRXWJQJKP-LBPRGKRZSA-N -1 0 340.332 2.114 20 5 EEBDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016147610 462971580 /nfs/dbraw/zinc/97/15/80/462971580.db2.gz BPCYXDBKXSQTDZ-UHFFFAOYSA-N -1 0 330.753 2.389 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000135525996 463169264 /nfs/dbraw/zinc/16/92/64/463169264.db2.gz KDTLPKZPSALSBQ-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM Cc1cccc2nc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])n(C)c21 ZINC000158461788 463235355 /nfs/dbraw/zinc/23/53/55/463235355.db2.gz AIZCFPHEXPQWQL-UHFFFAOYSA-N -1 0 340.339 2.426 20 5 EEBDRM CCN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)C1 ZINC000579357687 468347824 /nfs/dbraw/zinc/34/78/24/468347824.db2.gz CDTQSCDMEPETTJ-SECBINFHSA-N -1 0 327.768 2.120 20 5 EEBDRM Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)n[nH]2)o1 ZINC000160340171 463329706 /nfs/dbraw/zinc/32/97/06/463329706.db2.gz RMHRVIARLDDFDJ-UHFFFAOYSA-N -1 0 329.272 2.239 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c(F)c1 ZINC000171265154 463830259 /nfs/dbraw/zinc/83/02/59/463830259.db2.gz BTVATLKGJFRJQG-UHFFFAOYSA-N -1 0 338.320 2.202 20 5 EEBDRM CCCC[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261813064 463867740 /nfs/dbraw/zinc/86/77/40/463867740.db2.gz ZXNBINAVDRMKGI-NSHDSACASA-N -1 0 330.362 2.054 20 5 EEBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000261848106 463878510 /nfs/dbraw/zinc/87/85/10/463878510.db2.gz ZLAPHOGVESWCJS-GFCCVEGCSA-N -1 0 332.234 2.074 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(Cc2ccccc2)CC1 ZINC000194738462 463921077 /nfs/dbraw/zinc/92/10/77/463921077.db2.gz OVJYDEFLTIQVNQ-UHFFFAOYSA-N -1 0 341.367 2.258 20 5 EEBDRM COc1cc(CN2CCC[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000262063866 463938249 /nfs/dbraw/zinc/93/82/49/463938249.db2.gz APLLRIUAODLTNI-VIFPVBQESA-N -1 0 346.286 2.254 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000263107252 464057100 /nfs/dbraw/zinc/05/71/00/464057100.db2.gz ABPWWBKBNBEEJP-YFKPBYRVSA-N -1 0 349.112 2.042 20 5 EEBDRM CCn1nc(C)c([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1C ZINC000172903873 464162476 /nfs/dbraw/zinc/16/24/76/464162476.db2.gz IYJKHEINJRISTK-UHFFFAOYSA-N -1 0 342.352 2.368 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC000180757686 464387978 /nfs/dbraw/zinc/38/79/78/464387978.db2.gz RPXRBEYPQVFKJP-UHFFFAOYSA-N -1 0 329.284 2.377 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000281914844 464633762 /nfs/dbraw/zinc/63/37/62/464633762.db2.gz QNFLVHQMPRJTGA-GUYCJALGSA-N -1 0 332.356 2.241 20 5 EEBDRM C[S@@](=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000175908367 464656836 /nfs/dbraw/zinc/65/68/36/464656836.db2.gz MSVIFRIROROTQI-RKNYENMMSA-N -1 0 348.380 2.150 20 5 EEBDRM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000356712873 465502795 /nfs/dbraw/zinc/50/27/95/465502795.db2.gz OAMBBSQVDNVUOX-LURJTMIESA-N -1 0 330.259 2.211 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1OC ZINC000358002067 466379130 /nfs/dbraw/zinc/37/91/30/466379130.db2.gz SIPJEWZVIORXFD-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM CCOc1cccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000321235535 466620083 /nfs/dbraw/zinc/62/00/83/466620083.db2.gz CGLTZALICBZYLA-UHFFFAOYSA-N -1 0 338.341 2.500 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC000322547520 466632664 /nfs/dbraw/zinc/63/26/64/466632664.db2.gz LZUGGAMFEHPZDV-LLVKDONJSA-N -1 0 344.389 2.071 20 5 EEBDRM O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000368475650 466646029 /nfs/dbraw/zinc/64/60/29/466646029.db2.gz VDBJYMKTFINLEM-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM CCOC(=O)C[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)C ZINC000436581933 467546536 /nfs/dbraw/zinc/54/65/36/467546536.db2.gz KDLWTACOCLZELC-MRXNPFEDSA-N -1 0 338.360 2.398 20 5 EEBDRM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000458393746 467822555 /nfs/dbraw/zinc/82/25/55/467822555.db2.gz OUPDGTTXNSOMAA-SNVBAGLBSA-N -1 0 338.360 2.350 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000493357824 467894727 /nfs/dbraw/zinc/89/47/27/467894727.db2.gz SYNRKJNKTXMDGG-FVOPLDGLSA-N -1 0 336.319 2.364 20 5 EEBDRM O=C([O-])C1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000532008304 468089766 /nfs/dbraw/zinc/08/97/66/468089766.db2.gz SDTAGFVDAINQHB-UHFFFAOYSA-N -1 0 335.360 2.158 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000594468403 468597256 /nfs/dbraw/zinc/59/72/56/468597256.db2.gz QKJKNGFZQLIPFL-LBPRGKRZSA-N -1 0 335.360 2.256 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@H]2CCC(F)(F)C2)cc([N+](=O)[O-])c1 ZINC000600871099 468672196 /nfs/dbraw/zinc/67/21/96/468672196.db2.gz BBEUAYFECHIGIN-QMMMGPOBSA-N -1 0 328.271 2.458 20 5 EEBDRM CC1(CO)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000592790284 468786481 /nfs/dbraw/zinc/78/64/81/468786481.db2.gz MQBJDDJQCSSQQK-UHFFFAOYSA-N -1 0 328.752 2.188 20 5 EEBDRM CNc1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000595245380 468791937 /nfs/dbraw/zinc/79/19/37/468791937.db2.gz NYIZCNHWOLRODN-HZRBXJLLSA-N -1 0 335.360 2.400 20 5 EEBDRM CCOc1ccc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000584783176 468935908 /nfs/dbraw/zinc/93/59/08/468935908.db2.gz PVFBXZWUZDDABC-UHFFFAOYSA-N -1 0 331.328 3.007 20 5 EEBDRM Cc1cccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)nc12 ZINC000610453434 468972784 /nfs/dbraw/zinc/97/27/84/468972784.db2.gz HRJVMMOXHSCTLU-UHFFFAOYSA-N -1 0 340.339 2.229 20 5 EEBDRM CCOc1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000610853138 469090430 /nfs/dbraw/zinc/09/04/30/469090430.db2.gz MTXJSGFPKLSURT-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM CC(C)(C)C(=O)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000610876103 469099395 /nfs/dbraw/zinc/09/93/95/469099395.db2.gz BOMXCSOMJLHRQD-UHFFFAOYSA-N -1 0 349.387 2.067 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000595978806 469104864 /nfs/dbraw/zinc/10/48/64/469104864.db2.gz PAYBPCXMZSZOLO-CYUDJLOBSA-N -1 0 334.250 2.250 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C)[C@H](n3ccnc3)C2)n1 ZINC000563205566 469199125 /nfs/dbraw/zinc/19/91/25/469199125.db2.gz LLJIQUQETOGGDN-GXFFZTMASA-N -1 0 345.359 2.280 20 5 EEBDRM CCc1cnc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])o1 ZINC000611498116 469264444 /nfs/dbraw/zinc/26/44/44/469264444.db2.gz BEIIWYNCPPBUBT-UHFFFAOYSA-N -1 0 325.346 2.130 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000617708250 469767981 /nfs/dbraw/zinc/76/79/81/469767981.db2.gz NHIBEASBAKEPGA-GFCCVEGCSA-N -1 0 328.752 2.406 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000738212677 578003936 /nfs/dbraw/zinc/00/39/36/578003936.db2.gz NUJKPLCCZKMHPF-VIFPVBQESA-N -1 0 339.373 2.189 20 5 EEBDRM Cc1[nH]nc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1[N+](=O)[O-] ZINC000738248196 578005982 /nfs/dbraw/zinc/00/59/82/578005982.db2.gz CKOVNVBINKCVGT-UHFFFAOYSA-N -1 0 348.315 2.364 20 5 EEBDRM C[C@@H](OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000737749863 576061170 /nfs/dbraw/zinc/06/11/70/576061170.db2.gz SDVCLMICRUBESK-GHMZBOCLSA-N -1 0 336.344 2.461 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000732908124 577197042 /nfs/dbraw/zinc/19/70/42/577197042.db2.gz XRURAKLKPYQMFX-JTQLQIEISA-N -1 0 344.389 2.099 20 5 EEBDRM C[C@@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000770777507 577603435 /nfs/dbraw/zinc/60/34/35/577603435.db2.gz VXLJHBHCALENEC-SBMLRHLQSA-N -1 0 342.348 2.285 20 5 EEBDRM O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000759939979 577654366 /nfs/dbraw/zinc/65/43/66/577654366.db2.gz MXKVKBYPNOLNAF-GHMZBOCLSA-N -1 0 349.303 2.368 20 5 EEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CCCC2 ZINC000747481347 577945229 /nfs/dbraw/zinc/94/52/29/577945229.db2.gz YTKVSHXWMAFSRI-CYBMUJFWSA-N -1 0 338.385 2.121 20 5 EEBDRM CCOc1cccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000747858175 577951557 /nfs/dbraw/zinc/95/15/57/577951557.db2.gz DJTXLNCONKYCRP-UHFFFAOYSA-N -1 0 341.320 2.328 20 5 EEBDRM Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738772744 578026441 /nfs/dbraw/zinc/02/64/41/578026441.db2.gz ONEPVCFDACPCJX-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1nn(CCC(=O)Oc2ccc(CC(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000738922054 578031102 /nfs/dbraw/zinc/03/11/02/578031102.db2.gz CZCINDCJGUAFAJ-UHFFFAOYSA-N -1 0 347.327 2.031 20 5 EEBDRM O=C([O-])c1cc(NC(=O)COCCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000739322264 578048491 /nfs/dbraw/zinc/04/84/91/578048491.db2.gz KWHBPRJIIRLTMC-UHFFFAOYSA-N -1 0 344.323 2.491 20 5 EEBDRM O=C([O-])Cn1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cn1 ZINC000739911771 578073003 /nfs/dbraw/zinc/07/30/03/578073003.db2.gz JVVDXERTHLDRKI-UHFFFAOYSA-N -1 0 346.324 2.343 20 5 EEBDRM O=C([O-])c1cc(OS(=O)(=O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000740088686 578080349 /nfs/dbraw/zinc/08/03/49/578080349.db2.gz UHGMSCPKDZDVMW-UHFFFAOYSA-N -1 0 329.330 2.334 20 5 EEBDRM O=C([O-])c1sccc1OS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000740289361 578089164 /nfs/dbraw/zinc/08/91/64/578089164.db2.gz JZYAOXNMWSFKBO-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM CC(C)(C(=O)Nc1ccc(NC(=O)[O-])cc1)n1cc([N+](=O)[O-])cn1 ZINC000736231032 578188679 /nfs/dbraw/zinc/18/86/79/578188679.db2.gz YCVJGNMEPSOIEW-UHFFFAOYSA-N -1 0 333.304 2.255 20 5 EEBDRM CC(C)(C(=O)Oc1ccc(NC(=O)[O-])cc1)n1cc([N+](=O)[O-])cn1 ZINC000736231325 578188750 /nfs/dbraw/zinc/18/87/50/578188750.db2.gz AAFYLECIWKRRDX-UHFFFAOYSA-N -1 0 334.288 2.222 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N[C@H]2CCC[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736658191 578216933 /nfs/dbraw/zinc/21/69/33/578216933.db2.gz ZZMCGXLTRQQHAZ-SCVCMEIPSA-N -1 0 335.360 2.398 20 5 EEBDRM CCC[C@@](C)(NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)[O-] ZINC000736958793 578231230 /nfs/dbraw/zinc/23/12/30/578231230.db2.gz IKIHLGJUMOBOTP-OAHLLOKOSA-N -1 0 334.332 2.378 20 5 EEBDRM COc1ccc(CC(=O)OCc2cc(C)c(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000737984051 578275403 /nfs/dbraw/zinc/27/54/03/578275403.db2.gz FVYIRNLSJUGNFY-UHFFFAOYSA-N -1 0 349.295 2.489 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000819385602 597052229 /nfs/dbraw/zinc/05/22/29/597052229.db2.gz ZIXJLKVVLQKZQR-LLVKDONJSA-N -1 0 347.371 2.178 20 5 EEBDRM CN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000302058754 600444361 /nfs/dbraw/zinc/44/43/61/600444361.db2.gz FOIROCLSDFDMAC-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM Cc1oc(COC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000833026187 600967437 /nfs/dbraw/zinc/96/74/37/600967437.db2.gz DGMNOKBUSAEHKT-UHFFFAOYSA-N -1 0 348.311 2.374 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)Nc2ccn(CC(=O)[O-])n2)cc1[N+](=O)[O-] ZINC000832921293 601725079 /nfs/dbraw/zinc/72/50/79/601725079.db2.gz OOFOTTDKMJRFQN-SNVBAGLBSA-N -1 0 347.331 2.067 20 5 EEBDRM Nc1c(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000833090977 602268292 /nfs/dbraw/zinc/26/82/92/602268292.db2.gz YOSUJOYHZNGXEP-CYBMUJFWSA-N -1 0 334.259 2.299 20 5 EEBDRM CNC(=O)C1CCC(Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000830979086 602315841 /nfs/dbraw/zinc/31/58/41/602315841.db2.gz PVCXYJRWZZHNND-UHFFFAOYSA-N -1 0 335.360 2.318 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@H](O)C2CCOCC2)cc1Cl ZINC000833306786 604268144 /nfs/dbraw/zinc/26/81/44/604268144.db2.gz HTGVCKITYXQISR-ZDUSSCGKSA-N -1 0 344.751 2.146 20 5 EEBDRM O=C([O-])c1cnc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)s1 ZINC000833337790 604430927 /nfs/dbraw/zinc/43/09/27/604430927.db2.gz NAAGHEDLDNBXJM-UHFFFAOYSA-N -1 0 329.240 2.280 20 5 EEBDRM O=C([O-])c1ccc(OC[C@H](O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000833781620 604532338 /nfs/dbraw/zinc/53/23/38/604532338.db2.gz DKBWVKZFBSYFML-ZDUSSCGKSA-N -1 0 333.296 2.112 20 5 EEBDRM CC1(C)CC[C@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833558639 604549849 /nfs/dbraw/zinc/54/98/49/604549849.db2.gz LNXANKRJZXRDAY-NSHDSACASA-N -1 0 335.360 2.400 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)NCCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000827097607 604836046 /nfs/dbraw/zinc/83/60/46/604836046.db2.gz SKQKIHRANZJYTM-UHFFFAOYSA-N -1 0 346.343 2.112 20 5 EEBDRM CC(C)(C)C[C@@H](OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)[O-] ZINC000833429825 605234096 /nfs/dbraw/zinc/23/40/96/605234096.db2.gz PKRMXXYNPHABQT-LLVKDONJSA-N -1 0 339.300 2.370 20 5 EEBDRM O=C([O-])CC[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000261939835 682492914 /nfs/dbraw/zinc/49/29/14/682492914.db2.gz UOCOGCPYFOFIBB-GFCCVEGCSA-N -1 0 336.344 2.077 20 5 EEBDRM CC(C)C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262086845 683506732 /nfs/dbraw/zinc/50/67/32/683506732.db2.gz GEPZVDUUZBPRCS-CYBMUJFWSA-N -1 0 335.360 2.398 20 5 EEBDRM O=C(c1ccc(F)cc1[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178995971 683891432 /nfs/dbraw/zinc/89/14/32/683891432.db2.gz RPXSCUXRADFGPY-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1=CCCCCC1 ZINC000123886356 684835892 /nfs/dbraw/zinc/83/58/92/684835892.db2.gz LRDWEEBZOVBENY-UHFFFAOYSA-N -1 0 342.348 2.429 20 5 EEBDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000814023462 1199253191 /nfs/dbraw/zinc/25/31/91/1199253191.db2.gz YOTQRZAYXCWIDG-LBPRGKRZSA-N -1 0 337.357 2.134 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)[N-]OCc1ccccc1 ZINC000810353097 1199466464 /nfs/dbraw/zinc/46/64/64/1199466464.db2.gz AAIWSLKGINPIQT-UHFFFAOYSA-N -1 0 343.339 2.344 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c2c(c1=O)CC1(CC2)OCCO1 ZINC000887287439 1204255218 /nfs/dbraw/zinc/25/52/18/1204255218.db2.gz ZULGOFIYOZXTMS-NSHDSACASA-N -1 0 331.328 2.149 20 5 EEBDRM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779674960 1210751018 /nfs/dbraw/zinc/75/10/18/1210751018.db2.gz NALXAYHQYYYHKO-RAIGVLPGSA-N -1 0 340.426 2.410 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc(C)c(C)s1 ZINC000795608706 1214401663 /nfs/dbraw/zinc/40/16/63/1214401663.db2.gz VUKRZFDAJQLRCV-UHFFFAOYSA-N -1 0 343.386 2.478 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)cs1 ZINC000120048539 1229659908 /nfs/dbraw/zinc/65/99/08/1229659908.db2.gz FHMAVOLJAYQDIY-UHFFFAOYSA-N -1 0 342.330 2.246 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC000815893300 1278289996 /nfs/dbraw/zinc/28/99/96/1278289996.db2.gz YVWSRZRWRODBCJ-MCIGGMRASA-N -1 0 338.385 2.226 20 5 EEBDRM CCCCOC[C@@H](C)OC[C@@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229377294 1302754280 /nfs/dbraw/zinc/75/42/80/1302754280.db2.gz ATYNBIKVASDOFJ-GHMZBOCLSA-N -1 0 343.380 2.388 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](O)c1ccc(F)cc1 ZINC000780685473 1303685901 /nfs/dbraw/zinc/68/59/01/1303685901.db2.gz UOFAEYHKBYPGBB-RFAUZJTJSA-N -1 0 334.303 2.291 20 5 EEBDRM CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000835028653 1314894241 /nfs/dbraw/zinc/89/42/41/1314894241.db2.gz OEOHVENOPIMPIT-GHMZBOCLSA-N -1 0 326.374 2.082 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000835743815 1314945002 /nfs/dbraw/zinc/94/50/02/1314945002.db2.gz DDFFXXUFRIYLBP-UHIISALHSA-N -1 0 338.385 2.151 20 5 EEBDRM CC/C(C)=C\C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842404251 1315697976 /nfs/dbraw/zinc/69/79/76/1315697976.db2.gz WOONGGDGMDOUSM-NTMALXAHSA-N -1 0 326.374 2.206 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001608490721 1351703272 /nfs/dbraw/zinc/70/32/72/1351703272.db2.gz YJGDXEDBWBQFPP-APPZFPTMSA-N -1 0 332.234 2.207 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001601227233 1350236325 /nfs/dbraw/zinc/23/63/25/1350236325.db2.gz MCRXLWXPXBQLBZ-AYOMXYJGSA-N -1 0 330.340 2.307 20 5 EEBDRM O=C([O-])c1cnc(NCCc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC001602533062 1350540305 /nfs/dbraw/zinc/54/03/05/1350540305.db2.gz UYAVHYWGVJNXMQ-UHFFFAOYSA-N -1 0 327.300 2.219 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC001608903229 1351791001 /nfs/dbraw/zinc/79/10/01/1351791001.db2.gz QJFJHCITBZZRGQ-UHFFFAOYSA-N -1 0 332.297 2.483 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC001608906718 1351791425 /nfs/dbraw/zinc/79/14/25/1351791425.db2.gz PJKAMJUJPFGHTK-UHFFFAOYSA-N -1 0 331.236 2.241 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2nncn2-c2ccccc2)c1 ZINC001608915831 1351793527 /nfs/dbraw/zinc/79/35/27/1351793527.db2.gz UJOLFRXPFHGZJN-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001608975036 1351806169 /nfs/dbraw/zinc/80/61/69/1351806169.db2.gz RNWRYJDCGNBUIW-NWDGAFQWSA-N -1 0 335.360 2.331 20 5 EEBDRM CC(C)c1cc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n(C)n1 ZINC001609718732 1352067706 /nfs/dbraw/zinc/06/77/06/1352067706.db2.gz JCHHVWKWSCCARV-UHFFFAOYSA-N -1 0 333.300 2.369 20 5 EEBDRM C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609762102 1352078643 /nfs/dbraw/zinc/07/86/43/1352078643.db2.gz UKACJCPANRADMK-OCCSQVGLSA-N -1 0 336.388 2.270 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccn(-c2ccncc2)n1 ZINC001339158478 1336968009 /nfs/dbraw/zinc/96/80/09/1336968009.db2.gz GWJRLRHTCZVEED-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM C[C@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)O1 ZINC001609874887 1352108725 /nfs/dbraw/zinc/10/87/25/1352108725.db2.gz YXQQXNPJHGDDDF-QMMMGPOBSA-N -1 0 339.304 2.205 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccccc1 ZINC001609890790 1352111953 /nfs/dbraw/zinc/11/19/53/1352111953.db2.gz ZAWDYBVTYXHMJH-GFCCVEGCSA-N -1 0 346.343 2.321 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)CSc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001609901862 1352115146 /nfs/dbraw/zinc/11/51/46/1352115146.db2.gz NNPDRWHSPCIMSC-ZANVPECISA-N -1 0 326.374 2.302 20 5 EEBDRM CCOC(C)(C)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001610025029 1352143732 /nfs/dbraw/zinc/14/37/32/1352143732.db2.gz IYXOBJNXXKHSBE-UHFFFAOYSA-N -1 0 327.293 2.428 20 5 EEBDRM C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)CC(=O)[O-] ZINC001610125849 1352167726 /nfs/dbraw/zinc/16/77/26/1352167726.db2.gz DJFMSUMJGCVNCI-UHFFFAOYSA-N -1 0 334.332 2.330 20 5 EEBDRM COC(=O)c1cc(C)nc(NCC2(C(=O)[O-])CCCC2)c1[N+](=O)[O-] ZINC001610196743 1352183272 /nfs/dbraw/zinc/18/32/72/1352183272.db2.gz JTPWBNKXAFQCPR-UHFFFAOYSA-N -1 0 337.332 2.142 20 5 EEBDRM COCc1nc(NC(=O)c2ccccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC001610274425 1352197893 /nfs/dbraw/zinc/19/78/93/1352197893.db2.gz YKNKLCCVOSWKRO-UHFFFAOYSA-N -1 0 337.313 2.148 20 5 EEBDRM COc1cccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1OC ZINC001610357684 1352210428 /nfs/dbraw/zinc/21/04/28/1352210428.db2.gz NLAKXFBCNYIGQH-UHFFFAOYSA-N -1 0 333.300 2.317 20 5 EEBDRM O=C([O-])c1cnc(NC(=O)CSc2ccccc2[N+](=O)[O-])s1 ZINC001610672619 1352259342 /nfs/dbraw/zinc/25/93/42/1352259342.db2.gz KUOIYFHMGGDQBN-UHFFFAOYSA-N -1 0 339.354 2.480 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001610742393 1352267164 /nfs/dbraw/zinc/26/71/64/1352267164.db2.gz PIUXWVNZABISHU-QWRGUYRKSA-N -1 0 328.271 2.056 20 5 EEBDRM O=C([O-])CCCCC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001610769023 1352271465 /nfs/dbraw/zinc/27/14/65/1352271465.db2.gz PODXCUUJXAVCPB-UHFFFAOYSA-N -1 0 339.300 2.150 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@H]2CC2(Cl)Cl)cc([N+](=O)[O-])c1 ZINC001610809219 1352278623 /nfs/dbraw/zinc/27/86/23/1352278623.db2.gz HOGSUDMGHVSBHO-MRVPVSSYSA-N -1 0 333.127 2.217 20 5 EEBDRM CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)OCCCCC(=O)[O-] ZINC001589184815 1348967646 /nfs/dbraw/zinc/96/76/46/1348967646.db2.gz VZSRESDPZHTOLZ-UHFFFAOYSA-N -1 0 342.279 2.104 20 5 EEBDRM CC(C)O[C@H](Cn1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1)c1ccccc1 ZINC001589738584 1349026372 /nfs/dbraw/zinc/02/63/72/1349026372.db2.gz YBWQVQLDVYOAHR-CYBMUJFWSA-N -1 0 343.347 2.138 20 5 EEBDRM O=C([O-])c1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC001593283477 1349762125 /nfs/dbraw/zinc/76/21/25/1349762125.db2.gz SKUOSHDHJSVDCW-UHFFFAOYSA-N -1 0 340.299 2.085 20 5 EEBDRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001600068065 1349964840 /nfs/dbraw/zinc/96/48/40/1349964840.db2.gz RXUWKVOMFHKAIY-GMSGAONNSA-N -1 0 343.133 2.059 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)C(=O)Nc2ccccc2)n1 ZINC001600104949 1349972399 /nfs/dbraw/zinc/97/23/99/1349972399.db2.gz KPTYVHIXRMTQCZ-JTQLQIEISA-N -1 0 344.327 2.436 20 5 EEBDRM Cc1cc(C)cc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C(=O)[O-])c1 ZINC001600167466 1349984314 /nfs/dbraw/zinc/98/43/14/1349984314.db2.gz GVVDFIKBYNKWSB-HNNXBMFYSA-N -1 0 343.339 2.350 20 5 EEBDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001600517031 1350070908 /nfs/dbraw/zinc/07/09/08/1350070908.db2.gz VIZRVPQEAVJICK-OAHLLOKOSA-N -1 0 343.339 2.431 20 5 EEBDRM Cc1cccc(C)c1NC(=O)CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600522583 1350072363 /nfs/dbraw/zinc/07/23/63/1350072363.db2.gz ZSSXKJNONRKEHH-UHFFFAOYSA-N -1 0 344.327 2.355 20 5 EEBDRM Cc1cccc(OC[C@H](O)COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC001600545434 1350079018 /nfs/dbraw/zinc/07/90/18/1350079018.db2.gz XFYWPRCFFYWVDG-LBPRGKRZSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1cccc2c1C[C@@H](C(=O)[O-])N2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001600554376 1350081257 /nfs/dbraw/zinc/08/12/57/1350081257.db2.gz HPTLSFYQGBPBNZ-INIZCTEOSA-N -1 0 340.335 2.488 20 5 EEBDRM Cc1nn(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)cc1[N+](=O)[O-] ZINC001600782177 1350135402 /nfs/dbraw/zinc/13/54/02/1350135402.db2.gz OVCDDVLGONFKHD-UHFFFAOYSA-N -1 0 328.284 2.162 20 5 EEBDRM Cn1cc2c(n1)CCC[C@H]2C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001600970697 1350179733 /nfs/dbraw/zinc/17/97/33/1350179733.db2.gz IXMXLEGUOGQTJD-SNVBAGLBSA-N -1 0 345.311 2.052 20 5 EEBDRM Cn1ccc(CSCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1=O ZINC001600976161 1350180670 /nfs/dbraw/zinc/18/06/70/1350180670.db2.gz VHKJNQNNAZEKHI-UHFFFAOYSA-N -1 0 334.353 2.425 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)CCc2cncs2)c1 ZINC001601293476 1350250511 /nfs/dbraw/zinc/25/05/11/1350250511.db2.gz OLSZLISSKCOEKB-UHFFFAOYSA-N -1 0 336.325 2.426 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1O ZINC001601365035 1350267450 /nfs/dbraw/zinc/26/74/50/1350267450.db2.gz IZGNFKYIFDUJJO-UHFFFAOYSA-N -1 0 334.259 2.319 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC001601578957 1350311686 /nfs/dbraw/zinc/31/16/86/1350311686.db2.gz RSYSXFKOTBZVIN-KLBPJQLPSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])[C@@H](CNc1ncc([N+](=O)[O-])cc1F)Oc1ccc(F)cc1 ZINC001601655167 1350329147 /nfs/dbraw/zinc/32/91/47/1350329147.db2.gz JISWDPMKTUOHHB-GFCCVEGCSA-N -1 0 339.254 2.212 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@H]1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001601812130 1350370290 /nfs/dbraw/zinc/37/02/90/1350370290.db2.gz FYFHXHJNAVTACP-GXFFZTMASA-N -1 0 327.358 2.260 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@H]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001601882615 1350390054 /nfs/dbraw/zinc/39/00/54/1350390054.db2.gz KDZJTFXQDIOUBZ-KMOQFTEPSA-N -1 0 334.328 2.400 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC001601901039 1350393442 /nfs/dbraw/zinc/39/34/42/1350393442.db2.gz WHXTWBHHGAOQTR-LLVKDONJSA-N -1 0 326.736 2.160 20 5 EEBDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001602109719 1350440823 /nfs/dbraw/zinc/44/08/23/1350440823.db2.gz DMAWXWOUTXIWMD-NEPJUHHUSA-N -1 0 336.344 2.123 20 5 EEBDRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001602211102 1350466836 /nfs/dbraw/zinc/46/68/36/1350466836.db2.gz CQIAISAOTCSDRU-SNVBAGLBSA-N -1 0 348.689 2.112 20 5 EEBDRM O=C([O-])c1c(Cl)c(NC[C@@]2(O)CCSC2)ccc1[N+](=O)[O-] ZINC001602233094 1350471778 /nfs/dbraw/zinc/47/17/78/1350471778.db2.gz PEVXCOZNVHEDBA-LBPRGKRZSA-N -1 0 332.765 2.226 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@H]2COc3ccccc32)cc([N+](=O)[O-])c1 ZINC001602246247 1350475498 /nfs/dbraw/zinc/47/54/98/1350475498.db2.gz NCCFXJLNNQGCCD-LBPRGKRZSA-N -1 0 342.307 2.199 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(F)c1 ZINC001602406472 1350512303 /nfs/dbraw/zinc/51/23/03/1350512303.db2.gz INWWEBPICFQLIZ-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccnc(N[C@H]2C[C@@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001602485255 1350530309 /nfs/dbraw/zinc/53/03/09/1350530309.db2.gz USCBENJDHDBRAI-LAUQKZGBSA-N -1 0 343.339 2.193 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001602546747 1350543059 /nfs/dbraw/zinc/54/30/59/1350543059.db2.gz VEMYZIIPAMIYDI-UHFFFAOYSA-N -1 0 326.648 2.291 20 5 EEBDRM O=C([O-])C1(COC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCC1 ZINC001602613683 1350557392 /nfs/dbraw/zinc/55/73/92/1350557392.db2.gz MWHFZPYCUQTVLA-UHFFFAOYSA-N -1 0 345.311 2.192 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)C2 ZINC001602625252 1350560651 /nfs/dbraw/zinc/56/06/51/1350560651.db2.gz WZOAAYYPTAQEAL-BTDLBPIBSA-N -1 0 343.339 2.403 20 5 EEBDRM CC(C)CCc1nc(Cn2cc([N+](=O)[O-])c(-c3nnn[n-]3)n2)cs1 ZINC001603284759 1350680106 /nfs/dbraw/zinc/68/01/06/1350680106.db2.gz ODOCVLQSVRHZDK-UHFFFAOYSA-N -1 0 348.392 2.065 20 5 EEBDRM CC(C)(NC(=O)c1csc([N+](=O)[O-])c1)c1nocc1C(=O)[O-] ZINC001603679740 1350741344 /nfs/dbraw/zinc/74/13/44/1350741344.db2.gz CQJLLVXIRNSWRZ-UHFFFAOYSA-N -1 0 325.302 2.008 20 5 EEBDRM C[C@H]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC001604757946 1350998045 /nfs/dbraw/zinc/99/80/45/1350998045.db2.gz NMVLHHLUAQBQIG-NSHDSACASA-N -1 0 349.387 2.282 20 5 EEBDRM CCC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC001605173470 1351095342 /nfs/dbraw/zinc/09/53/42/1351095342.db2.gz YQRICSLHQMALTQ-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1C ZINC001605570344 1351191756 /nfs/dbraw/zinc/19/17/56/1351191756.db2.gz WPEJPMRTQTVKNK-GHMZBOCLSA-N -1 0 336.344 2.379 20 5 EEBDRM CCOC[C@@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC001605625781 1351203733 /nfs/dbraw/zinc/20/37/33/1351203733.db2.gz JWVNAKGWJPRJOT-VIFPVBQESA-N -1 0 344.751 2.188 20 5 EEBDRM CNc1c(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC001606308677 1351291505 /nfs/dbraw/zinc/29/15/05/1351291505.db2.gz MRSHUROIZQOEAR-CYBMUJFWSA-N -1 0 343.339 2.235 20 5 EEBDRM CO[C@](C)([C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC001606658384 1351338274 /nfs/dbraw/zinc/33/82/74/1351338274.db2.gz OSUNBOKXAMIIKB-JDNHERCYSA-N -1 0 336.344 2.226 20 5 EEBDRM CO[C@@H]1CCC[C@H]1CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001606743793 1351350320 /nfs/dbraw/zinc/35/03/20/1351350320.db2.gz ZNINQDJEFHZFJF-QPUJVOFHSA-N -1 0 339.304 2.428 20 5 EEBDRM CO[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@](C)(C(=O)[O-])C1 ZINC001606770762 1351354342 /nfs/dbraw/zinc/35/43/42/1351354342.db2.gz HZCIJLQAUBVBPH-FZMZJTMJSA-N -1 0 328.752 2.312 20 5 EEBDRM COCC1(CCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001606838723 1351365338 /nfs/dbraw/zinc/36/53/38/1351365338.db2.gz DEYIRNKAXRGZHK-UHFFFAOYSA-N -1 0 339.304 2.430 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001607141479 1351436987 /nfs/dbraw/zinc/43/69/87/1351436987.db2.gz YWYZDTCTVYCKSE-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM COc1ccc(CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC001607242036 1351456838 /nfs/dbraw/zinc/45/68/38/1351456838.db2.gz VPOZAXMPZSDSNB-CYBMUJFWSA-N -1 0 338.360 2.152 20 5 EEBDRM CSc1ccc(C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)cc1[N+](=O)[O-] ZINC001607403840 1351488615 /nfs/dbraw/zinc/48/86/15/1351488615.db2.gz QFBFSOUGLKDQAO-UHFFFAOYSA-N -1 0 349.324 2.368 20 5 EEBDRM C[C@@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccccc1[N+](=O)[O-] ZINC001607421007 1351491646 /nfs/dbraw/zinc/49/16/46/1351491646.db2.gz NXULVOQHKVGUKM-ZYHUDNBSSA-N -1 0 335.360 2.456 20 5 EEBDRM C[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001607468917 1351498387 /nfs/dbraw/zinc/49/83/87/1351498387.db2.gz JTWQQLCUBGIJBM-SMDDNHRTSA-N -1 0 348.355 2.127 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC(=O)OC2CCCCC2)n1 ZINC001607588949 1351520468 /nfs/dbraw/zinc/52/04/68/1351520468.db2.gz ARZSCBSWPQPVLN-UHFFFAOYSA-N -1 0 337.332 2.284 20 5 EEBDRM Cc1cc(OCC(=O)OCc2ccoc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607701977 1351542436 /nfs/dbraw/zinc/54/24/36/1351542436.db2.gz MTLMOLGBMXHJNJ-UHFFFAOYSA-N -1 0 335.268 2.317 20 5 EEBDRM Cc1nn(C)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C(=O)[O-] ZINC001607999233 1351600984 /nfs/dbraw/zinc/60/09/84/1351600984.db2.gz LVQGJRSAHKMAMS-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000851624780 1367191667 /nfs/dbraw/zinc/19/16/67/1367191667.db2.gz MVNPITKCFQFSHG-BBRMVZONSA-N -1 0 335.360 2.034 20 5 EEBDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000798899362 1371619664 /nfs/dbraw/zinc/61/96/64/1371619664.db2.gz VZXKVVAMHBJSAK-UHFFFAOYSA-N -1 0 334.353 2.163 20 5 EEBDRM CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001121792732 1371924574 /nfs/dbraw/zinc/92/45/74/1371924574.db2.gz ZKBRROOZFHFBJE-ZYHUDNBSSA-N -1 0 329.360 2.425 20 5 EEBDRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CC=CCC1 ZINC000835154431 1372597460 /nfs/dbraw/zinc/59/74/60/1372597460.db2.gz GKMPJUUHQLRZPC-GFCCVEGCSA-N -1 0 330.387 2.208 20 5 EEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCC ZINC000839056067 1372885998 /nfs/dbraw/zinc/88/59/98/1372885998.db2.gz INGSNWMEGXZVFT-UHFFFAOYSA-N -1 0 329.378 2.022 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000918726088 769349054 /nfs/dbraw/zinc/34/90/54/769349054.db2.gz LCCVDFCYWNNFKH-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000920324969 770675386 /nfs/dbraw/zinc/67/53/86/770675386.db2.gz WRHSDCAVGVTVAQ-WEVVVXLNSA-N -1 0 330.337 2.285 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)sc1C ZINC000112160634 775418576 /nfs/dbraw/zinc/41/85/76/775418576.db2.gz FBVKXBJCNOPCMR-UHFFFAOYSA-N -1 0 346.411 2.453 20 5 EEBDRM Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1 ZINC000112160564 775451113 /nfs/dbraw/zinc/45/11/13/775451113.db2.gz MSFRPDOCSCUHBQ-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000817724492 784933361 /nfs/dbraw/zinc/93/33/61/784933361.db2.gz UJLFHRWXJJPIFO-UHFFFAOYSA-N -1 0 326.374 2.071 20 5 EEBDRM Cc1n[nH]c(C(=O)NCC=CCNc2cc(C)ccc2[N+](=O)[O-])c1[O-] ZINC001107127602 785307845 /nfs/dbraw/zinc/30/78/45/785307845.db2.gz OCTKAAAKBSSIRW-ARJAWSKDSA-N -1 0 345.359 2.038 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1C ZINC000112494600 786062845 /nfs/dbraw/zinc/06/28/45/786062845.db2.gz AZVQGRMZOQLVCM-SNVBAGLBSA-N -1 0 328.390 2.399 20 5 EEBDRM Cc1ccn2ncnc2c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000820800533 786479212 /nfs/dbraw/zinc/47/92/12/786479212.db2.gz SKHMUVNZQVSHGU-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM CO[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000910478949 786808520 /nfs/dbraw/zinc/80/85/20/786808520.db2.gz IQMJAOHJFVZZMO-GFCCVEGCSA-N -1 0 334.250 2.294 20 5 EEBDRM O=C([O-])C[C@@]1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCOC1 ZINC000823343379 787700200 /nfs/dbraw/zinc/70/02/00/787700200.db2.gz VKKPMMUEDVIRKM-AWEZNQCLSA-N -1 0 342.735 2.002 20 5 EEBDRM Cc1ccc([C@H](O)CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000844208066 788926543 /nfs/dbraw/zinc/92/65/43/788926543.db2.gz NMOBZQQMVGPOHE-CYBMUJFWSA-N -1 0 331.328 2.450 20 5 EEBDRM COc1cccc([C@@H](O)CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000844207775 788926667 /nfs/dbraw/zinc/92/66/67/788926667.db2.gz FZZGSLQURJLLDO-ZDUSSCGKSA-N -1 0 347.327 2.151 20 5 EEBDRM COc1cccc(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])n1 ZINC000844210137 788927901 /nfs/dbraw/zinc/92/79/01/788927901.db2.gz RGNOIVHDOSOVAJ-UHFFFAOYSA-N -1 0 332.316 2.055 20 5 EEBDRM CCc1ccc([C@@H](O)CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000844213130 788930268 /nfs/dbraw/zinc/93/02/68/788930268.db2.gz UTRLWLBSWKFQID-ZDUSSCGKSA-N -1 0 331.328 2.396 20 5 EEBDRM CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)c1n[nH]c(C)c1[O-] ZINC001106725423 796289271 /nfs/dbraw/zinc/28/92/71/796289271.db2.gz APQQTMQIENNZDL-UHFFFAOYSA-N -1 0 347.375 2.215 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000194170863 796648720 /nfs/dbraw/zinc/64/87/20/796648720.db2.gz JDZHQUBYVZSZRG-UHFFFAOYSA-N -1 0 344.732 2.268 20 5 EEBDRM CCOC(=O)c1cnc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001174502605 797784397 /nfs/dbraw/zinc/78/43/97/797784397.db2.gz CELMSSDPEJUHBJ-UHFFFAOYSA-N -1 0 332.272 2.003 20 5 EEBDRM COC(=O)c1c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cncc1OC ZINC001176677995 798525341 /nfs/dbraw/zinc/52/53/41/798525341.db2.gz GWEFMAXAABDUTM-UHFFFAOYSA-N -1 0 347.283 2.227 20 5 EEBDRM CNc1c(C(=O)[N-]S(=O)(=O)c2ccccc2C)cccc1[N+](=O)[O-] ZINC000793110414 810147598 /nfs/dbraw/zinc/14/75/98/810147598.db2.gz LOWYIUBPMOLHFZ-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM COc1ccc(CSCC(=O)[N-]OCCSC)cc1[N+](=O)[O-] ZINC000794190251 810706113 /nfs/dbraw/zinc/70/61/13/810706113.db2.gz SPXOTKJRQISUDJ-UHFFFAOYSA-N -1 0 346.430 2.247 20 5 EEBDRM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000804485154 810881726 /nfs/dbraw/zinc/88/17/26/810881726.db2.gz PBWDSZPOUZDPMW-BDJLRTHQSA-N -1 0 330.340 2.461 20 5 EEBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC001589602706 949199198 /nfs/dbraw/zinc/19/91/98/949199198.db2.gz AAEYSGFRFHSKPA-MRXNPFEDSA-N -1 0 336.344 2.320 20 5 EEBDRM CC[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000159014006 949372507 /nfs/dbraw/zinc/37/25/07/949372507.db2.gz NMPOZADPRTXLQP-SSDOTTSWSA-N -1 0 345.149 2.198 20 5 EEBDRM O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CO1 ZINC001595004282 951177087 /nfs/dbraw/zinc/17/70/87/951177087.db2.gz IZPFYYKMQKSZIW-WPRPVWTQSA-N -1 0 342.735 2.457 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001589306364 953744586 /nfs/dbraw/zinc/74/45/86/953744586.db2.gz UVFXMYBLCZNADE-MNOVXSKESA-N -1 0 345.355 2.330 20 5 EEBDRM O=C([O-])C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCOCC1 ZINC001594880406 954424207 /nfs/dbraw/zinc/42/42/07/954424207.db2.gz DQUKUZIEMIDKMD-UHFFFAOYSA-N -1 0 331.328 2.436 20 5 EEBDRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC001594536128 955574599 /nfs/dbraw/zinc/57/45/99/955574599.db2.gz LSVWUTXXIJZIAF-QWRGUYRKSA-N -1 0 348.334 2.162 20 5 EEBDRM Nc1c(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC001594660265 956527702 /nfs/dbraw/zinc/52/77/02/956527702.db2.gz UYXYJCUJMSZPLQ-QWHCGFSZSA-N -1 0 341.323 2.220 20 5 EEBDRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCCNc1ccccc1[N+](=O)[O-] ZINC001594672737 956630156 /nfs/dbraw/zinc/63/01/56/956630156.db2.gz RPKPJLDARZVKMD-VURMDHGXSA-N -1 0 345.311 2.128 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001594707008 956846338 /nfs/dbraw/zinc/84/63/38/956846338.db2.gz WGCPVPXRYDBXEZ-HNNXBMFYSA-N -1 0 332.287 2.219 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N3CCC(C(=O)[O-])CC3)c2c1 ZINC001594117327 958560020 /nfs/dbraw/zinc/56/00/20/958560020.db2.gz LHCUHKKGJFUJPO-UHFFFAOYSA-N -1 0 331.328 2.453 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594381206 958622938 /nfs/dbraw/zinc/62/29/38/958622938.db2.gz OPDICQILZUQZQA-NWDGAFQWSA-N -1 0 336.344 2.420 20 5 EEBDRM CC(C)(C)CC[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001588644706 959722207 /nfs/dbraw/zinc/72/22/07/959722207.db2.gz ALKFMMDGJHRDFZ-CHWSQXEVSA-N -1 0 338.360 2.024 20 5 EEBDRM CCc1cc(NC(=O)[C@H](C(=O)[O-])C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC001573952861 961653041 /nfs/dbraw/zinc/65/30/41/961653041.db2.gz MDLHGEWARLPYOE-OAHLLOKOSA-N -1 0 345.355 2.423 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001605153107 972843443 /nfs/dbraw/zinc/84/34/43/972843443.db2.gz WJQRJAUDFHNRHW-AWEZNQCLSA-N -1 0 343.339 2.032 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001603365408 972851329 /nfs/dbraw/zinc/85/13/29/972851329.db2.gz LFRMNIMHIVSXHI-KOLCDFICSA-N -1 0 331.328 2.259 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901892355 980606282 /nfs/dbraw/zinc/60/62/82/980606282.db2.gz SVFHRCARVBZQHN-SNVBAGLBSA-N -1 0 330.793 2.498 20 5 EEBDRM CCC(C)(C)OCC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001594808461 981917640 /nfs/dbraw/zinc/91/76/40/981917640.db2.gz KFDZJLIEEFADCQ-MRXNPFEDSA-N -1 0 338.360 2.216 20 5 EEBDRM CCCc1[nH]nc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)c1[N+](=O)[O-] ZINC001596029951 983297325 /nfs/dbraw/zinc/29/73/25/983297325.db2.gz RXWVTWMZNVUHGC-UHFFFAOYSA-N -1 0 344.327 2.172 20 5 EEBDRM CCNc1ccc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001596501095 984252539 /nfs/dbraw/zinc/25/25/39/984252539.db2.gz BWSDMKDNBCZEBU-UHFFFAOYSA-N -1 0 330.300 2.372 20 5 EEBDRM CCOC(=O)c1ccnc(N[C@@H](CC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001596732712 985012591 /nfs/dbraw/zinc/01/25/91/985012591.db2.gz NECSCJAXQIWDGI-JTQLQIEISA-N -1 0 339.348 2.468 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[C@H]1C(=O)[O-] ZINC001599931924 985331428 /nfs/dbraw/zinc/33/14/28/985331428.db2.gz HSLKPJSHCDGHTN-GXFFZTMASA-N -1 0 347.371 2.034 20 5 EEBDRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC001596875718 985721535 /nfs/dbraw/zinc/72/15/35/985721535.db2.gz KJCTXGJNEJUHRX-NSHDSACASA-N -1 0 344.751 2.118 20 5 EEBDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC001589520699 987163127 /nfs/dbraw/zinc/16/31/27/987163127.db2.gz BQQSSCVVIFVCEK-MRVPVSSYSA-N -1 0 330.300 2.012 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001597250241 987235087 /nfs/dbraw/zinc/23/50/87/987235087.db2.gz POBVSJIWCLMPIR-JLYOEYFJSA-N -1 0 341.389 2.180 20 5 EEBDRM CCc1nncn1CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001597741349 989098529 /nfs/dbraw/zinc/09/85/29/989098529.db2.gz BNVKUPVWKVEBQE-UHFFFAOYSA-N -1 0 339.739 2.212 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001597842868 989546885 /nfs/dbraw/zinc/54/68/85/989546885.db2.gz CWJHVXXZYCHKQZ-GFCCVEGCSA-N -1 0 334.332 2.064 20 5 EEBDRM CC(C)(C)OC(=O)[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001590360534 989812693 /nfs/dbraw/zinc/81/26/93/989812693.db2.gz XRJBRLKQXMURBM-CZMCAQCFSA-N -1 0 337.332 2.220 20 5 EEBDRM CC(C)(NC(=O)NCc1cccc([N+](=O)[O-])c1)c1nocc1C(=O)[O-] ZINC001590854766 990736112 /nfs/dbraw/zinc/73/61/12/990736112.db2.gz HIRAHYYXZKNWBR-UHFFFAOYSA-N -1 0 348.315 2.016 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1Cn1nc(C)c(CCC(=O)[O-])c1C ZINC001599622340 994101240 /nfs/dbraw/zinc/10/12/40/994101240.db2.gz HHDZIIVLETYVML-UHFFFAOYSA-N -1 0 333.344 2.482 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1OC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599622791 994107659 /nfs/dbraw/zinc/10/76/59/994107659.db2.gz GEIYBWVEJHMZPL-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM COc1cccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC001599642674 994380839 /nfs/dbraw/zinc/38/08/39/994380839.db2.gz KCNUEDQHMDJKSD-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM CNc1c(C(=O)NCc2ccc(C(=O)[O-])s2)cccc1[N+](=O)[O-] ZINC001598676823 994859210 /nfs/dbraw/zinc/85/92/10/994859210.db2.gz ATOUEVFTWRCEKK-UHFFFAOYSA-N -1 0 335.341 2.326 20 5 EEBDRM C[C@]1(Br)C[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001593739262 996352182 /nfs/dbraw/zinc/35/21/82/996352182.db2.gz FJTXUNGWZZSKID-CABZTGNLSA-N -1 0 343.133 2.405 20 5 EEBDRM COC[C@@]1(C)CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCO1 ZINC001599194321 997187587 /nfs/dbraw/zinc/18/75/87/997187587.db2.gz FGTBOJRKBLQTPL-CQSZACIVSA-N -1 0 344.751 2.188 20 5 EEBDRM COc1cc(CN[C@@](C)(CC(=O)[O-])c2ccccn2)ccc1[N+](=O)[O-] ZINC001599416396 997519486 /nfs/dbraw/zinc/51/94/86/997519486.db2.gz WRIFBPSEUTWJJV-KRWDZBQOSA-N -1 0 345.355 2.478 20 5 EEBDRM Cc1cc(S(C)(=O)=O)cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1C ZINC000427024756 241364406 /nfs/dbraw/zinc/36/44/06/241364406.db2.gz VFLVSAYGWYFLGH-UHFFFAOYSA-N -1 0 337.357 2.196 20 5 EEBDRM CC1CCN(c2ccc(C(=O)NCCCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000236729682 242337846 /nfs/dbraw/zinc/33/78/46/242337846.db2.gz XDUQMHCRYPOSQV-UHFFFAOYSA-N -1 0 349.387 2.426 20 5 EEBDRM CC(C)C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000262467448 244990212 /nfs/dbraw/zinc/99/02/12/244990212.db2.gz ZFSBZZYXVPERHN-ZDUSSCGKSA-N -1 0 333.344 2.165 20 5 EEBDRM O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000135834217 223608574 /nfs/dbraw/zinc/60/85/74/223608574.db2.gz IGXJQPANHSSYPS-UHFFFAOYSA-N -1 0 343.343 2.034 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)/C=C/C(C)(C)C)c([N+](=O)[O-])c1 ZINC000491837601 246173860 /nfs/dbraw/zinc/17/38/60/246173860.db2.gz HZJPPBCKCPYURL-BQYQJAHWSA-N -1 0 342.373 2.011 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000492159888 246330802 /nfs/dbraw/zinc/33/08/02/246330802.db2.gz ZMNWLWZXDPCHKR-OHVSUOQFSA-N -1 0 348.330 2.460 20 5 EEBDRM Cc1ccc([C@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)o1 ZINC000116988311 221020096 /nfs/dbraw/zinc/02/00/96/221020096.db2.gz YCKLYFMMBBNEMC-CYBMUJFWSA-N -1 0 332.312 2.416 20 5 EEBDRM Cc1cnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)s1 ZINC000267291904 256045914 /nfs/dbraw/zinc/04/59/14/256045914.db2.gz CGRXJMUGZCXQIJ-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273322819 256286966 /nfs/dbraw/zinc/28/69/66/256286966.db2.gz LDOCDUXHYLMIHK-IAQYHMDHSA-N -1 0 338.385 2.085 20 5 EEBDRM Cc1nc(CN(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cs1 ZINC000237186675 140891431 /nfs/dbraw/zinc/89/14/31/140891431.db2.gz UXACLMLYYFPVAU-UHFFFAOYSA-N -1 0 335.341 2.330 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000356586451 141021690 /nfs/dbraw/zinc/02/16/90/141021690.db2.gz CYTQTIPKCLFPMO-AAEUAGOBSA-N -1 0 349.387 2.114 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000356606391 141024933 /nfs/dbraw/zinc/02/49/33/141024933.db2.gz ZBGJXVVPCUHADZ-JTQLQIEISA-N -1 0 329.312 2.057 20 5 EEBDRM O=C(NCc1ccccc1-n1ccnc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119719641 142373838 /nfs/dbraw/zinc/37/38/38/142373838.db2.gz WDPVMXWIAKMKJI-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000263043508 152363412 /nfs/dbraw/zinc/36/34/12/152363412.db2.gz MEZLXAORNBFVNQ-NXEZZACHSA-N -1 0 347.249 2.322 20 5 EEBDRM C[S@](=O)Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000130501090 292374883 /nfs/dbraw/zinc/37/48/83/292374883.db2.gz OHMQQQBRQDVXFD-HSZRJFAPSA-N -1 0 334.353 2.431 20 5 EEBDRM C[C@@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000263358772 160458940 /nfs/dbraw/zinc/45/89/40/160458940.db2.gz RMKUPYQTROUPTP-WZRBSPASSA-N -1 0 335.360 2.408 20 5 EEBDRM CCOc1ccc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263371361 160460047 /nfs/dbraw/zinc/46/00/47/160460047.db2.gz VLUVXXNTJYJZDA-ZYHUDNBSSA-N -1 0 336.344 2.176 20 5 EEBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)nc1 ZINC000131711119 292391924 /nfs/dbraw/zinc/39/19/24/292391924.db2.gz GLVRUSULNBPPLX-UHFFFAOYSA-N -1 0 335.341 2.302 20 5 EEBDRM Cn1cnnc1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000184645574 160013121 /nfs/dbraw/zinc/01/31/21/160013121.db2.gz ILIKNQDXITZMDP-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2ccccc2[C@H]1CO ZINC000185631135 160044209 /nfs/dbraw/zinc/04/42/09/160044209.db2.gz XCIZGROEJNQJRX-OAHLLOKOSA-N -1 0 328.324 2.032 20 5 EEBDRM Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000185694676 160045546 /nfs/dbraw/zinc/04/55/46/160045546.db2.gz CUMSGJFTNPYDNV-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM COc1cc(Cl)ccc1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188444621 160123259 /nfs/dbraw/zinc/12/32/59/160123259.db2.gz SGPKSCCDYDXXTA-UHFFFAOYSA-N -1 0 337.719 2.287 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2ccc(C)nc2C)ccc1[N+](=O)[O-] ZINC000345520317 161308232 /nfs/dbraw/zinc/30/82/32/161308232.db2.gz HSYDVSXRPULQQU-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccc3c(c2)CCO3)cc([N+](=O)[O-])c1 ZINC000345854767 161337508 /nfs/dbraw/zinc/33/75/08/161337508.db2.gz XWSSPHUIPYKOOV-UHFFFAOYSA-N -1 0 328.280 2.480 20 5 EEBDRM O=C(Nc1ccc(Br)cc1[O-])c1n[nH]cc1[N+](=O)[O-] ZINC000135885036 292453020 /nfs/dbraw/zinc/45/30/20/292453020.db2.gz BNGOXTJSVVGFLU-UHFFFAOYSA-N -1 0 327.094 2.038 20 5 EEBDRM O=C(Nc1ccc(N2CCCC2=O)cn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356805297 163548408 /nfs/dbraw/zinc/54/84/08/163548408.db2.gz QMUDYIHCQXKWLY-UHFFFAOYSA-N -1 0 342.311 2.075 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000359859744 164187266 /nfs/dbraw/zinc/18/72/66/164187266.db2.gz TVRPWZGQOJSINM-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccnc(N(C)C)c1 ZINC000360259834 164271033 /nfs/dbraw/zinc/27/10/33/164271033.db2.gz ZUGZHMAMNDHNFN-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM O=C(Nc1ccccc1-c1nc[nH]n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000364391510 165122669 /nfs/dbraw/zinc/12/26/69/165122669.db2.gz CUOSFLWKOUZPRL-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM Cc1n[nH]cc1C1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000375966089 167236897 /nfs/dbraw/zinc/23/68/97/167236897.db2.gz WEEGCJUNYFHDTF-UHFFFAOYSA-N -1 0 330.344 2.352 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000376604332 167358942 /nfs/dbraw/zinc/35/89/42/167358942.db2.gz OGOWKVQUFUYIAY-ISZGNANSSA-N -1 0 330.340 2.321 20 5 EEBDRM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[N-]OCC(C)C)ccc1[N+](=O)[O-] ZINC000122998060 222195655 /nfs/dbraw/zinc/19/56/55/222195655.db2.gz YGMDVIXKKSCMFV-OAHLLOKOSA-N -1 0 349.387 2.212 20 5 EEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCOc2c(F)cccc2C1 ZINC000376104448 304501719 /nfs/dbraw/zinc/50/17/19/304501719.db2.gz SAVRGNSPYOUGJM-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272643060 269003417 /nfs/dbraw/zinc/00/34/17/269003417.db2.gz XXMPQWBJWLNKJA-AWEZNQCLSA-N -1 0 329.312 2.208 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC000274965279 269079981 /nfs/dbraw/zinc/07/99/81/269079981.db2.gz IBJVDMVFHBUWAZ-GFCCVEGCSA-N -1 0 344.389 2.071 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)CCCC(=O)[O-] ZINC000275027416 269086194 /nfs/dbraw/zinc/08/61/94/269086194.db2.gz SUTSGUSZKNFIQH-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM CC(C)[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000271649873 274147071 /nfs/dbraw/zinc/14/70/71/274147071.db2.gz HVDHLNFKVNISPZ-ZWNOBZJWSA-N -1 0 346.380 2.216 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCSC2(CCOCC2)C1 ZINC000274546936 274206819 /nfs/dbraw/zinc/20/68/19/274206819.db2.gz GTFFFUOQAMNYNL-UHFFFAOYSA-N -1 0 338.385 2.039 20 5 EEBDRM CC(C)(NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCC1CCCC1 ZINC000275107146 274223700 /nfs/dbraw/zinc/22/37/00/274223700.db2.gz XKCZKTVOJLSLJQ-UHFFFAOYSA-N -1 0 349.387 2.115 20 5 EEBDRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000277337438 274285028 /nfs/dbraw/zinc/28/50/28/274285028.db2.gz WAUYDMJIRGVLNL-LLVKDONJSA-N -1 0 344.389 2.085 20 5 EEBDRM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[nH]1 ZINC000277933131 274325247 /nfs/dbraw/zinc/32/52/47/274325247.db2.gz RZWDDMSSUOUCBD-BDAKNGLRSA-N -1 0 333.348 2.423 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000236639429 279191343 /nfs/dbraw/zinc/19/13/43/279191343.db2.gz RDWKUBCZUWPOCO-AWEZNQCLSA-N -1 0 346.343 2.010 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])c(NS(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000343891697 312267024 /nfs/dbraw/zinc/26/70/24/312267024.db2.gz ZXJFBTLSOLXCRC-UHFFFAOYSA-N -1 0 349.368 2.015 20 5 EEBDRM CCc1cc(N[C@H](C)CC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000416427559 313221261 /nfs/dbraw/zinc/22/12/61/313221261.db2.gz QBFWAAIFZBIXLP-SNVBAGLBSA-N -1 0 330.344 2.311 20 5 EEBDRM NC(=O)CSc1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432588443 314712971 /nfs/dbraw/zinc/71/29/71/314712971.db2.gz PFSZLZWZYMRSRF-UHFFFAOYSA-N -1 0 347.352 2.130 20 5 EEBDRM COc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1NC(N)=O ZINC000436815900 315000995 /nfs/dbraw/zinc/00/09/95/315000995.db2.gz MXDXIEVPDKGRTL-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccsc1 ZINC000436824592 315002804 /nfs/dbraw/zinc/00/28/04/315002804.db2.gz HRMXLQDOGHXLAH-LBPRGKRZSA-N -1 0 336.325 2.006 20 5 EEBDRM O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436870303 315008309 /nfs/dbraw/zinc/00/83/09/315008309.db2.gz HHRFCMDIAVOIDD-UHFFFAOYSA-N -1 0 342.311 2.296 20 5 EEBDRM COc1cccc(COCCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436904204 315011450 /nfs/dbraw/zinc/01/14/50/315011450.db2.gz YBEURZSADLHYJZ-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(OC)c1 ZINC000436966372 315017229 /nfs/dbraw/zinc/01/72/29/315017229.db2.gz PXWMSPHZZSTIEB-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM CC(C)c1ncc(CN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000442965206 315222344 /nfs/dbraw/zinc/22/23/44/315222344.db2.gz IFILGJVGTUMTNK-UHFFFAOYSA-N -1 0 330.344 2.486 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000515281772 316475680 /nfs/dbraw/zinc/47/56/80/316475680.db2.gz PNVMMMCGKCSJAL-NSHDSACASA-N -1 0 335.360 2.175 20 5 EEBDRM C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000517028509 316632230 /nfs/dbraw/zinc/63/22/30/316632230.db2.gz GJTOMQBYMAELAJ-BXKDBHETSA-N -1 0 342.373 2.150 20 5 EEBDRM Cc1cc(NCC2([S@](C)=O)CCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000518776610 316744452 /nfs/dbraw/zinc/74/44/52/316744452.db2.gz FISOJRSAJPSMLQ-QFIPXVFZSA-N -1 0 326.374 2.315 20 5 EEBDRM COC(=O)c1csc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000531600377 317807320 /nfs/dbraw/zinc/80/73/20/317807320.db2.gz QYMOTDHAGHZTNZ-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM O=C(COC[C@@H]1CCCO1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000537546169 318018900 /nfs/dbraw/zinc/01/89/00/318018900.db2.gz BIYIAGFXRGMHRG-VIFPVBQESA-N -1 0 330.724 2.088 20 5 EEBDRM C[C@H](CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cn1C)C(=O)[O-] ZINC000538476042 318036787 /nfs/dbraw/zinc/03/67/87/318036787.db2.gz UYGWOSMSWBBBMR-GFCCVEGCSA-N -1 0 345.355 2.296 20 5 EEBDRM CC(=O)N1CCc2c1cccc2NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000546013604 318240321 /nfs/dbraw/zinc/24/03/21/318240321.db2.gz QDSKOBQNNHBWBL-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-] ZINC000547897004 318332807 /nfs/dbraw/zinc/33/28/07/318332807.db2.gz OTVQODYFIVLTDD-JTQLQIEISA-N -1 0 344.389 2.029 20 5 EEBDRM O=C([O-])Cc1ccc(NCCCOC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000563623334 319031842 /nfs/dbraw/zinc/03/18/42/319031842.db2.gz GQHYDHNZCZTEIL-ZDUSSCGKSA-N -1 0 338.360 2.220 20 5 EEBDRM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000566066436 319240185 /nfs/dbraw/zinc/24/01/85/319240185.db2.gz SFIQODBIWVKVRI-ZJUUUORDSA-N -1 0 342.373 2.150 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000566175624 319256332 /nfs/dbraw/zinc/25/63/32/319256332.db2.gz DFOTVLQAMQFYBN-UFBFGSQYSA-N -1 0 342.373 2.068 20 5 EEBDRM Cn1nc2c(c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])CCC2 ZINC000566271111 319266900 /nfs/dbraw/zinc/26/69/00/319266900.db2.gz QDLYHGKPZFDPAR-UHFFFAOYSA-N -1 0 336.735 2.428 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)CC1CC1 ZINC000566344732 319277177 /nfs/dbraw/zinc/27/71/77/319277177.db2.gz YMDDHEIZDNPTDA-NSHDSACASA-N -1 0 331.328 2.307 20 5 EEBDRM C[C@@H](Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1)C(=O)[O-] ZINC000566655833 319308711 /nfs/dbraw/zinc/30/87/11/319308711.db2.gz MHFDFAXEESAHJJ-JTQLQIEISA-N -1 0 331.328 2.449 20 5 EEBDRM C[C@@](CO)(CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000567978756 319440597 /nfs/dbraw/zinc/44/05/97/319440597.db2.gz QUZSNTHNMPZHGW-KRWDZBQOSA-N -1 0 345.355 2.341 20 5 EEBDRM Cn1nccc1[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000567985494 319441678 /nfs/dbraw/zinc/44/16/78/319441678.db2.gz ZTPIMZSUDFEWAS-ABAIWWIYSA-N -1 0 346.343 2.359 20 5 EEBDRM CC[C@@H](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000567990461 319442005 /nfs/dbraw/zinc/44/20/05/319442005.db2.gz MWXOEVYGELMGMR-SKDRFNHKSA-N -1 0 344.389 2.071 20 5 EEBDRM COc1cccnc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000571497737 319760125 /nfs/dbraw/zinc/76/01/25/319760125.db2.gz DTYLFCJZFXVJLY-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccncc1[N+](=O)[O-] ZINC000571609930 319769656 /nfs/dbraw/zinc/76/96/56/319769656.db2.gz AKLICMYVWIIFOO-UHFFFAOYSA-N -1 0 344.352 2.069 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000578010603 320288792 /nfs/dbraw/zinc/28/87/92/320288792.db2.gz UFKGXLQCYZOJKX-VIFPVBQESA-N -1 0 342.373 2.165 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)NCC2=CCCCC2)c([N+](=O)[O-])c1 ZINC000578241168 320303548 /nfs/dbraw/zinc/30/35/48/320303548.db2.gz WHMXKLTWAAOPJA-UHFFFAOYSA-N -1 0 340.357 2.072 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000579359418 323835288 /nfs/dbraw/zinc/83/52/88/323835288.db2.gz MQHPVSOWZAAJGF-CYBMUJFWSA-N -1 0 332.360 2.475 20 5 EEBDRM O=C([O-])c1cnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000582362789 324438716 /nfs/dbraw/zinc/43/87/16/324438716.db2.gz VPJNYMUYGJUYQS-UHFFFAOYSA-N -1 0 344.327 2.131 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](O)Cc2ccccc2)n1 ZINC000519707466 448825757 /nfs/dbraw/zinc/82/57/57/448825757.db2.gz RIGCROFGRFLFGW-GFCCVEGCSA-N -1 0 331.328 2.012 20 5 EEBDRM Cc1cc([C@@](C)(O)CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(C)o1 ZINC000184836296 465028773 /nfs/dbraw/zinc/02/87/73/465028773.db2.gz YLLNASUQVQQLHD-INIZCTEOSA-N -1 0 334.328 2.148 20 5 EEBDRM O=C1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000339058547 465058852 /nfs/dbraw/zinc/05/88/52/465058852.db2.gz UQYDOHBMJUZNEK-UHFFFAOYSA-N -1 0 327.340 2.102 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000339127064 465098633 /nfs/dbraw/zinc/09/86/33/465098633.db2.gz AUJDYEHSWNHLOU-ZANVPECISA-N -1 0 334.294 2.436 20 5 EEBDRM COc1cc(CCO)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000339310770 465200293 /nfs/dbraw/zinc/20/02/93/465200293.db2.gz TVGNDYLTWPLCLO-UHFFFAOYSA-N -1 0 332.312 2.096 20 5 EEBDRM O=C(NCc1ccccc1-n1cccn1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000063701754 462664271 /nfs/dbraw/zinc/66/42/71/462664271.db2.gz JUGQMLCMCGKMLQ-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000155480769 462898224 /nfs/dbraw/zinc/89/82/24/462898224.db2.gz FUHSPCQVFIGAOL-UHFFFAOYSA-N -1 0 344.302 2.288 20 5 EEBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000092102626 462927258 /nfs/dbraw/zinc/92/72/58/462927258.db2.gz LTMGHCBZPJJMLQ-SNVBAGLBSA-N -1 0 333.310 2.369 20 5 EEBDRM Cc1n[nH]cc1C1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000552398839 468326710 /nfs/dbraw/zinc/32/67/10/468326710.db2.gz XWDSRKQOSJQFKD-UHFFFAOYSA-N -1 0 330.344 2.352 20 5 EEBDRM CCC[C@](C)(NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000568386945 468330187 /nfs/dbraw/zinc/33/01/87/468330187.db2.gz GOBMKSJIQXOUBU-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM CC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)nc1C ZINC000134539504 463053371 /nfs/dbraw/zinc/05/33/71/463053371.db2.gz ZUTQOLSBIYWREJ-UHFFFAOYSA-N -1 0 329.312 2.136 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000123180446 463321822 /nfs/dbraw/zinc/32/18/22/463321822.db2.gz BGMOZBIJKMYICH-LLVKDONJSA-N -1 0 334.353 2.330 20 5 EEBDRM CC(C)CC(=O)NCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186025747 463923325 /nfs/dbraw/zinc/92/33/25/463923325.db2.gz FXYWEZNFSHHFSW-UHFFFAOYSA-N -1 0 343.767 2.445 20 5 EEBDRM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[nH]1 ZINC000278039545 463942299 /nfs/dbraw/zinc/94/22/99/463942299.db2.gz ZEELIJFPYDYQOC-RKDXNWHRSA-N -1 0 333.348 2.423 20 5 EEBDRM CCC[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262198934 463970935 /nfs/dbraw/zinc/97/09/35/463970935.db2.gz VRVJBXRUEKBJNF-SKDRFNHKSA-N -1 0 326.374 2.445 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263473708 464111927 /nfs/dbraw/zinc/11/19/27/464111927.db2.gz MABHEMQYZMJAHP-UHFFFAOYSA-N -1 0 335.360 2.380 20 5 EEBDRM C[C@@H](CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000263489294 464115699 /nfs/dbraw/zinc/11/56/99/464115699.db2.gz OAANCWPZEKERFE-ZETCQYMHSA-N -1 0 347.274 2.381 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC([C@@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000263523510 464122629 /nfs/dbraw/zinc/12/26/29/464122629.db2.gz INIMFEACJAVNIV-HNNXBMFYSA-N -1 0 348.355 2.324 20 5 EEBDRM Cc1noc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)n1 ZINC000179443845 464138250 /nfs/dbraw/zinc/13/82/50/464138250.db2.gz RDZYRHQSTNNJHS-UHFFFAOYSA-N -1 0 332.316 2.012 20 5 EEBDRM C[C@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236730063 464221606 /nfs/dbraw/zinc/22/16/06/464221606.db2.gz IHDDTOITWMRREU-GFCCVEGCSA-N -1 0 349.387 2.282 20 5 EEBDRM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181783991 464528667 /nfs/dbraw/zinc/52/86/67/464528667.db2.gz NMFIJQNRADTJEF-CQSZACIVSA-N -1 0 345.355 2.460 20 5 EEBDRM Cc1cccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])n(C)c21 ZINC000182115954 464575876 /nfs/dbraw/zinc/57/58/76/464575876.db2.gz ZUCDROSRBARLHQ-UHFFFAOYSA-N -1 0 340.339 2.426 20 5 EEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCc2c1cnn2C ZINC000182147864 464582703 /nfs/dbraw/zinc/58/27/03/464582703.db2.gz GUYHPDBWQIWKAR-ZDUSSCGKSA-N -1 0 330.344 2.184 20 5 EEBDRM CCOC(=O)c1cc(N2CCC[C@@H](CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000568973788 468415543 /nfs/dbraw/zinc/41/55/43/468415543.db2.gz KLDVOHKXMSJXBI-NSHDSACASA-N -1 0 336.344 2.463 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nc3ccccn3n2)cc1[N+](=O)[O-] ZINC000191918910 464832908 /nfs/dbraw/zinc/83/29/08/464832908.db2.gz VCEWFMFUJPSIIW-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM CCOC(=O)[C@@H](CC)N(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000276294925 464879947 /nfs/dbraw/zinc/87/99/47/464879947.db2.gz XILZGTJSZUOZMS-GFCCVEGCSA-N -1 0 336.344 2.247 20 5 EEBDRM COCCN(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000591269715 468434361 /nfs/dbraw/zinc/43/43/61/468434361.db2.gz RWNTVDJCSGPSOH-UHFFFAOYSA-N -1 0 334.328 2.388 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356793886 465543772 /nfs/dbraw/zinc/54/37/72/465543772.db2.gz CONJYBXEBHPCRB-CYBMUJFWSA-N -1 0 345.359 2.280 20 5 EEBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc3c2OCO3)c1 ZINC000337877014 465647847 /nfs/dbraw/zinc/64/78/47/465647847.db2.gz VILRRZZHXGYJDK-UHFFFAOYSA-N -1 0 340.288 2.263 20 5 EEBDRM CC[C@@](NC(=O)c1cccc([N+](=O)[O-])c1N)(C(=O)[O-])c1ccccc1 ZINC000362339642 465664758 /nfs/dbraw/zinc/66/47/58/465664758.db2.gz LYDSQALPXWIHAK-KRWDZBQOSA-N -1 0 343.339 2.297 20 5 EEBDRM Cc1ccc2nc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000340438179 466092305 /nfs/dbraw/zinc/09/23/05/466092305.db2.gz ANAQHHPBHPTYLB-UHFFFAOYSA-N -1 0 346.368 2.029 20 5 EEBDRM O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000357619134 466183018 /nfs/dbraw/zinc/18/30/18/466183018.db2.gz WLQUATFXQCFFMV-UHFFFAOYSA-N -1 0 342.311 2.296 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCOc2c(F)cccc2C1 ZINC000366084378 467053261 /nfs/dbraw/zinc/05/32/61/467053261.db2.gz MEVGMBSDMVAQLW-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM O=c1[n-]c([C@H]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000377527580 467080398 /nfs/dbraw/zinc/08/03/98/467080398.db2.gz YDKQZYJIRRCETN-JTQLQIEISA-N -1 0 337.767 2.452 20 5 EEBDRM C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000519066436 468139108 /nfs/dbraw/zinc/13/91/08/468139108.db2.gz CAEMYGGUZRKRIO-FZMZJTMJSA-N -1 0 335.360 2.032 20 5 EEBDRM COc1ccc2c(c1)OC[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000567978751 468248347 /nfs/dbraw/zinc/24/83/47/468248347.db2.gz QQXGRKKOCYWLFX-SNVBAGLBSA-N -1 0 345.311 2.112 20 5 EEBDRM Cn1nc(C2CCOCC2)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000600427449 468554288 /nfs/dbraw/zinc/55/42/88/468554288.db2.gz XCCCFHDUQRECQI-UHFFFAOYSA-N -1 0 346.343 2.180 20 5 EEBDRM CCCC(C)(C)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000592136506 468634121 /nfs/dbraw/zinc/63/41/21/468634121.db2.gz DULBBABTVXWQMF-UHFFFAOYSA-N -1 0 330.362 2.150 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600800117 468661101 /nfs/dbraw/zinc/66/11/01/468661101.db2.gz HZHKWVDUAYVMNK-MNOVXSKESA-N -1 0 336.344 2.237 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC([C@H]3CCCCO3)CC2)n1 ZINC000594735227 468667536 /nfs/dbraw/zinc/66/75/36/468667536.db2.gz IIKQLYVVESGUFS-CQSZACIVSA-N -1 0 335.360 2.474 20 5 EEBDRM CC(C)CO[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875406 468672553 /nfs/dbraw/zinc/67/25/53/468672553.db2.gz JRVBJQUKOHGMSG-MEDUHNTESA-N -1 0 338.360 2.072 20 5 EEBDRM C[C@](NC(=O)c1cc(C2CC2)on1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600878993 468674503 /nfs/dbraw/zinc/67/45/03/468674503.db2.gz ZLWFWUZLLXFMCC-MRXNPFEDSA-N -1 0 345.311 2.190 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC2(CCOCC2)O1 ZINC000570725063 468682802 /nfs/dbraw/zinc/68/28/02/468682802.db2.gz MIWVFCSGAKEAFB-NSHDSACASA-N -1 0 336.344 2.067 20 5 EEBDRM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](C)C(=O)OC(C)(C)C ZINC000597869661 468699045 /nfs/dbraw/zinc/69/90/45/468699045.db2.gz MEIAXKYJIMRFEQ-SNVBAGLBSA-N -1 0 338.360 2.493 20 5 EEBDRM O=C([O-])c1ccc(CN2CCOc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000583576540 468719134 /nfs/dbraw/zinc/71/91/34/468719134.db2.gz UIWICTVDMKCTET-UHFFFAOYSA-N -1 0 329.312 2.083 20 5 EEBDRM COCCOc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000571050264 468732638 /nfs/dbraw/zinc/73/26/38/468732638.db2.gz PRUHQWXVUFJFHE-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598733411 468977258 /nfs/dbraw/zinc/97/72/58/468977258.db2.gz CZGNNEDBUWGLIU-UHFFFAOYSA-N -1 0 342.402 2.426 20 5 EEBDRM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000614898390 469087015 /nfs/dbraw/zinc/08/70/15/469087015.db2.gz XGETYFIWCVNYRW-ZDUSSCGKSA-N -1 0 348.277 2.484 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000611463307 469254488 /nfs/dbraw/zinc/25/44/88/469254488.db2.gz OACUDUQXOPJZNN-AWEZNQCLSA-N -1 0 333.344 2.234 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@](C)(O)CCC(C)C)n1 ZINC000565034756 469265456 /nfs/dbraw/zinc/26/54/56/469265456.db2.gz JMIDPZBPOXXAAB-OAHLLOKOSA-N -1 0 325.365 2.596 20 5 EEBDRM C[C@H](c1ccccc1)[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000611508697 469266808 /nfs/dbraw/zinc/26/68/08/469266808.db2.gz OKXIZVNNPVCBGC-RISCZKNCSA-N -1 0 330.340 2.195 20 5 EEBDRM COc1cccc2c1OC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000611534840 469273960 /nfs/dbraw/zinc/27/39/60/469273960.db2.gz HNPSWGIFIKKTGQ-NSHDSACASA-N -1 0 344.323 2.043 20 5 EEBDRM O=C(NCCN1Cc2ccccc2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611555627 469278629 /nfs/dbraw/zinc/27/86/29/469278629.db2.gz MTOMYTHBGTXHII-UHFFFAOYSA-N -1 0 327.340 2.046 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccnn1C ZINC000616021829 469354788 /nfs/dbraw/zinc/35/47/88/469354788.db2.gz VSAWDQAFZTXAFZ-LBPRGKRZSA-N -1 0 332.360 2.204 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Oc2cccc(CC(=O)[O-])c2)c1 ZINC000738068793 577998272 /nfs/dbraw/zinc/99/82/72/577998272.db2.gz RHXSZEWLKOMJSN-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM Cn1cc([C@H]2CCCN2C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC000738405613 578013228 /nfs/dbraw/zinc/01/32/28/578013228.db2.gz MZXSUGMIZXCGKG-CQSZACIVSA-N -1 0 344.327 2.004 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000738478624 578016639 /nfs/dbraw/zinc/01/66/39/578016639.db2.gz IFEGWDOFAAOOGY-UHFFFAOYSA-N -1 0 333.252 2.234 20 5 EEBDRM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])no1 ZINC000725826920 576052365 /nfs/dbraw/zinc/05/23/65/576052365.db2.gz JCTAMVPSPZOCJS-UHFFFAOYSA-N -1 0 331.737 2.023 20 5 EEBDRM COc1ccc(C(=O)Oc2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000737947979 576163402 /nfs/dbraw/zinc/16/34/02/576163402.db2.gz NJYDXYUSFQNUOZ-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772352236 577266549 /nfs/dbraw/zinc/26/65/49/577266549.db2.gz XZKZFBYEQLQKQI-CQSZACIVSA-N -1 0 332.360 2.342 20 5 EEBDRM C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000776561731 577462295 /nfs/dbraw/zinc/46/22/95/577462295.db2.gz RFFDKRAPGGNCAF-VIFPVBQESA-N -1 0 348.352 2.046 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@H](F)c1ccccc1 ZINC000769299407 577574462 /nfs/dbraw/zinc/57/44/62/577574462.db2.gz QQSUXLLHSVSANS-LLVKDONJSA-N -1 0 344.345 2.172 20 5 EEBDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000770768732 577603341 /nfs/dbraw/zinc/60/33/41/577603341.db2.gz WKEIAOOSRIQEHD-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM CCC(CC)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000761418548 577683452 /nfs/dbraw/zinc/68/34/52/577683452.db2.gz OMSCQMCOHWRFJH-UHFFFAOYSA-N -1 0 344.389 2.235 20 5 EEBDRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000761426797 577683614 /nfs/dbraw/zinc/68/36/14/577683614.db2.gz HOEPLELYDSOQIH-CSKARUKUSA-N -1 0 342.373 2.155 20 5 EEBDRM CCC(C)(C)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000762732932 577706749 /nfs/dbraw/zinc/70/67/49/577706749.db2.gz WAYYIIXTVGZRHZ-UHFFFAOYSA-N -1 0 328.390 2.020 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C2/CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000753809391 577794209 /nfs/dbraw/zinc/79/42/09/577794209.db2.gz JVMJSOQRHODANK-JMZICWNOSA-N -1 0 338.385 2.455 20 5 EEBDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000754745067 577811945 /nfs/dbraw/zinc/81/19/45/577811945.db2.gz CGGCCTLMHSPNNJ-UHFFFAOYSA-N -1 0 337.357 2.078 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H]1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000739554984 578058176 /nfs/dbraw/zinc/05/81/76/578058176.db2.gz CSEOHUFNDSWLOA-VXGBXAGGSA-N -1 0 332.268 2.014 20 5 EEBDRM O=C([O-])NCCOC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000739977591 578076306 /nfs/dbraw/zinc/07/63/06/578076306.db2.gz MBUUGTWVIPHSAF-UHFFFAOYSA-N -1 0 337.313 2.143 20 5 EEBDRM O=C([O-])c1coc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c1 ZINC000740270135 578088399 /nfs/dbraw/zinc/08/83/99/578088399.db2.gz YLFSEOWPXIQSSY-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM CC(C)c1nnc(Sc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)n1C ZINC000735952799 578174779 /nfs/dbraw/zinc/17/47/79/578174779.db2.gz LHMQYULKIJPTAB-UHFFFAOYSA-N -1 0 346.376 2.178 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N(C)CC2CCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657489 578216851 /nfs/dbraw/zinc/21/68/51/578216851.db2.gz SOUIFANDNUXYAV-JTQLQIEISA-N -1 0 335.360 2.034 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N[C@@H]2CCC[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736658189 578216942 /nfs/dbraw/zinc/21/69/42/578216942.db2.gz ZZMCGXLTRQQHAZ-JFGNBEQYSA-N -1 0 335.360 2.398 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2C(=O)[O-])cc1SC ZINC000737902992 578272494 /nfs/dbraw/zinc/27/24/94/578272494.db2.gz SQNGICROSPUIEX-VIFPVBQESA-N -1 0 340.357 2.015 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H]1CCC[C@H](O)C1 ZINC000833307455 600815828 /nfs/dbraw/zinc/81/58/28/600815828.db2.gz NLEJZYXWVMVCKY-WPRPVWTQSA-N -1 0 339.304 2.164 20 5 EEBDRM CO[C@]1(C)C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1(C)C ZINC000262359435 601102893 /nfs/dbraw/zinc/10/28/93/601102893.db2.gz CUAXQIIOCLTQHA-BLLLJJGKSA-N -1 0 336.344 2.226 20 5 EEBDRM CC[C@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC000828958079 601130435 /nfs/dbraw/zinc/13/04/35/601130435.db2.gz STKMSCAAAWBRNI-LBPRGKRZSA-N -1 0 347.331 2.149 20 5 EEBDRM Cc1ccccc1S(=O)(=O)Oc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000832981950 601220225 /nfs/dbraw/zinc/22/02/25/601220225.db2.gz QPHIHHUBYFRTGS-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])Nc1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000833291114 601226823 /nfs/dbraw/zinc/22/68/23/601226823.db2.gz HOSQSSHZXDDKKC-UHFFFAOYSA-N -1 0 338.297 2.452 20 5 EEBDRM O=C([O-])c1ccccc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000833334873 601246136 /nfs/dbraw/zinc/24/61/36/601246136.db2.gz IRDFLKIZZPHJRV-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM CCOCCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)[O-])=C1C ZINC000830007118 601816441 /nfs/dbraw/zinc/81/64/41/601816441.db2.gz JQAFPZNPXLALKB-AWEZNQCLSA-N -1 0 349.343 2.056 20 5 EEBDRM Cn1c(C(=O)Oc2ccc(SCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000833039132 601871247 /nfs/dbraw/zinc/87/12/47/601871247.db2.gz XAYKBKILRRWKCK-UHFFFAOYSA-N -1 0 336.325 2.329 20 5 EEBDRM C[C@H]1CN(CCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000828451942 604263420 /nfs/dbraw/zinc/26/34/20/604263420.db2.gz XMXQEOQPRYKNBU-VIFPVBQESA-N -1 0 343.767 2.079 20 5 EEBDRM Cc1n[nH]c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1[N+](=O)[O-] ZINC000832847753 604352407 /nfs/dbraw/zinc/35/24/07/604352407.db2.gz SXPUNTSGKBKXAJ-UHFFFAOYSA-N -1 0 346.343 2.134 20 5 EEBDRM CC(C)(C(=O)OC1CCC(CC(=O)[O-])CC1)n1cc([N+](=O)[O-])cn1 ZINC000833419433 604497440 /nfs/dbraw/zinc/49/74/40/604497440.db2.gz UEMRYPZENZNBPB-UHFFFAOYSA-N -1 0 339.348 2.103 20 5 EEBDRM CN(C(=O)CSc1ccc([N+](=O)[O-])cn1)c1ccccc1C(=O)[O-] ZINC000830490573 604788739 /nfs/dbraw/zinc/78/87/39/604788739.db2.gz UMVGJPLPZPNYIT-UHFFFAOYSA-N -1 0 347.352 2.443 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)cs1 ZINC000833306397 604816653 /nfs/dbraw/zinc/81/66/53/604816653.db2.gz QIBXVCAGNDQWJO-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)cccc1[N+](=O)[O-] ZINC000135677779 679570208 /nfs/dbraw/zinc/57/02/08/679570208.db2.gz FCGJPJNBPJFWFI-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM O=[N+]([O-])c1ccc([C@H](OCCS(=O)(=O)[O-])C(F)(F)F)cc1 ZINC001224571419 1188827672 /nfs/dbraw/zinc/82/76/72/1188827672.db2.gz LEHHZKKJLZWGPA-VIFPVBQESA-N -1 0 329.252 2.103 20 5 EEBDRM CCc1noc(CC)c1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119955727 1229636927 /nfs/dbraw/zinc/63/69/27/1229636927.db2.gz SQRQMRKGEDKEHR-UHFFFAOYSA-N -1 0 345.402 2.248 20 5 EEBDRM C[C@@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850887803 1277381893 /nfs/dbraw/zinc/38/18/93/1277381893.db2.gz BQJWMGWEBXDQAN-SBMLRHLQSA-N -1 0 342.348 2.285 20 5 EEBDRM COc1cc(OC)c(-c2noc(-c3cc([N+](=O)[O-])ccc3[O-])n2)cn1 ZINC001215379890 1296878865 /nfs/dbraw/zinc/87/88/65/1296878865.db2.gz COWCRODIOWAOBS-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM CSc1nc(O[C@@H]2COCc3ccccc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624908 1301914384 /nfs/dbraw/zinc/91/43/84/1301914384.db2.gz ILEPFYLQJHZLLI-SNVBAGLBSA-N -1 0 335.341 2.463 20 5 EEBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@H]2CCOC[C@@H]2F)c1[N+](=O)[O-] ZINC001228860449 1302488069 /nfs/dbraw/zinc/48/80/69/1302488069.db2.gz UVEASFGDTOBGFT-FSPLSTOPSA-N -1 0 326.202 2.220 20 5 EEBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@H]2CCn3ccnc32)c1[N+](=O)[O-] ZINC001228861873 1302488395 /nfs/dbraw/zinc/48/83/95/1302488395.db2.gz IIEFTJZPBBODLY-ZETCQYMHSA-N -1 0 330.222 2.435 20 5 EEBDRM CCOC(=O)C[C@@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001229375519 1302752696 /nfs/dbraw/zinc/75/26/96/1302752696.db2.gz GTSOCWCSQJETMC-GFCCVEGCSA-N -1 0 347.327 2.472 20 5 EEBDRM CCCC1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000781838503 1303877166 /nfs/dbraw/zinc/87/71/66/1303877166.db2.gz VVERXDZRFQINCG-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM COc1ccc(-c2noc(C([O-])=Cc3ccccc3[N+](=O)[O-])n2)nc1 ZINC001248979043 1310979368 /nfs/dbraw/zinc/97/93/68/1310979368.db2.gz JVMRLJWPFHGRLC-UHFFFAOYSA-N -1 0 340.295 2.474 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000840917683 1315435255 /nfs/dbraw/zinc/43/52/55/1315435255.db2.gz MCNZSGLTMXJHGH-UHFFFAOYSA-N -1 0 327.293 2.400 20 5 EEBDRM COC(=O)c1cc(N)cc2c1cnn2-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210399485 1325265154 /nfs/dbraw/zinc/26/51/54/1325265154.db2.gz UIWZPTHYWSXINN-UHFFFAOYSA-N -1 0 328.284 2.008 20 5 EEBDRM O=C([O-])[C@H](C[C@H]1CCCOC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001608534239 1351711725 /nfs/dbraw/zinc/71/17/25/1351711725.db2.gz TVOXRTVMAAFJCP-SCZZXKLOSA-N -1 0 329.740 2.325 20 5 EEBDRM Cc1cc(OS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c(Cl)cc1[N+](=O)[O-] ZINC001607702246 1351542936 /nfs/dbraw/zinc/54/29/36/1351542936.db2.gz DXKBWIJAZAKSMF-OCAPTIKFSA-N -1 0 349.748 2.128 20 5 EEBDRM O=C([O-])C12CC(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)(C1)C2 ZINC001608583279 1351720227 /nfs/dbraw/zinc/72/02/27/1351720227.db2.gz YSCZZFOHLYEZSU-UHFFFAOYSA-N -1 0 342.311 2.178 20 5 EEBDRM O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC001608656578 1351735334 /nfs/dbraw/zinc/73/53/34/1351735334.db2.gz VVZYEUHRZUUNBZ-ZDUSSCGKSA-N -1 0 348.336 2.317 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@@H]2CCN(C3CCC3)C2=O)c([N+](=O)[O-])c1 ZINC001608661545 1351736866 /nfs/dbraw/zinc/73/68/66/1351736866.db2.gz ZQVXPGKTRXCIAU-BRLPQQTGSA-N -1 0 345.355 2.258 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@@H](CO)c2cccnc2)c([N+](=O)[O-])c1 ZINC001608661271 1351736905 /nfs/dbraw/zinc/73/69/05/1351736905.db2.gz QPFQCGCGHVEVTE-SDQPKGBYSA-N -1 0 329.312 2.233 20 5 EEBDRM CC(C)(C)S(=O)(=O)[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001324275393 1333648375 /nfs/dbraw/zinc/64/83/75/1333648375.db2.gz RFOJQSVJRRUEJM-UHFFFAOYSA-N -1 0 326.330 2.199 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001610347883 1352209086 /nfs/dbraw/zinc/20/90/86/1352209086.db2.gz NDAQHDQTIDVTKR-WBMJQRKESA-N -1 0 336.344 2.367 20 5 EEBDRM Cc1c([N+](=O)[O-])ccc(F)c1NCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001610427542 1352221082 /nfs/dbraw/zinc/22/10/82/1352221082.db2.gz HHZPBKQWIDFJHX-UHFFFAOYSA-N -1 0 348.290 2.186 20 5 EEBDRM Cc1c(NCC(=O)NC2(C(=O)[O-])CCCCC2)cccc1[N+](=O)[O-] ZINC001610426975 1352221174 /nfs/dbraw/zinc/22/11/74/1352221174.db2.gz QOQKZSGGQWIVCB-UHFFFAOYSA-N -1 0 335.360 2.219 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001610672440 1352259259 /nfs/dbraw/zinc/25/92/59/1352259259.db2.gz AJXSHAASHGCEFZ-UHFFFAOYSA-N -1 0 338.297 2.117 20 5 EEBDRM O=C([O-])Cc1csc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC001610797995 1352276547 /nfs/dbraw/zinc/27/65/47/1352276547.db2.gz YGUGNZPCYIVSHD-UHFFFAOYSA-N -1 0 346.324 2.412 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C[C@@H]21 ZINC001610803645 1352277594 /nfs/dbraw/zinc/27/75/94/1352277594.db2.gz UIVKDSSHMZMWMS-MTBHXBHISA-N -1 0 325.708 2.043 20 5 EEBDRM O=C([O-])c1ccc(-c2nc(Cn3ccc(=O)c([N+](=O)[O-])c3)co2)cc1 ZINC001610820536 1352280307 /nfs/dbraw/zinc/28/03/07/1352280307.db2.gz ODVUHIJUWOUJAY-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1C ZINC000032602564 1352315288 /nfs/dbraw/zinc/31/52/88/1352315288.db2.gz TZQLQDOTZUGFLD-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CC(=O)Nc1ccc(Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC001588879294 1348940391 /nfs/dbraw/zinc/94/03/91/1348940391.db2.gz TYGRGEZQFLWTLD-UHFFFAOYSA-N -1 0 339.315 2.477 20 5 EEBDRM Cc1c(NC(=O)N[C@]2(C)CCO[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039142 1349960248 /nfs/dbraw/zinc/96/02/48/1349960248.db2.gz IJEQOTZSOMNDAV-BJOHPYRUSA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001600155333 1349981776 /nfs/dbraw/zinc/98/17/76/1349981776.db2.gz JXRFJRWMXMLOBX-UHFFFAOYSA-N -1 0 332.316 2.053 20 5 EEBDRM Cc1cc(C)cc(OCCn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)c1 ZINC001600175265 1349985859 /nfs/dbraw/zinc/98/58/59/1349985859.db2.gz JQKBMLUXVMVZSS-UHFFFAOYSA-N -1 0 332.312 2.151 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N[C@](C)(CCF)C(=O)[O-])cc1[N+](=O)[O-] ZINC001600216306 1349995346 /nfs/dbraw/zinc/99/53/46/1349995346.db2.gz BQRIZKLJZNIVEY-CYBMUJFWSA-N -1 0 332.715 2.489 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)[O-])CC2)cc1Cl ZINC001600302301 1350015034 /nfs/dbraw/zinc/01/50/34/1350015034.db2.gz IGLDFXDWHNCBFI-UHFFFAOYSA-N -1 0 326.736 2.493 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC001600304876 1350015795 /nfs/dbraw/zinc/01/57/95/1350015795.db2.gz RQEOYDCOPDHUOA-CQSZACIVSA-N -1 0 329.312 2.244 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001600307226 1350016802 /nfs/dbraw/zinc/01/68/02/1350016802.db2.gz OAFOWWSRDMGXNR-CYBMUJFWSA-N -1 0 335.291 2.381 20 5 EEBDRM Cc1cccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cn2)c1[N+](=O)[O-] ZINC001600510307 1350069501 /nfs/dbraw/zinc/06/95/01/1350069501.db2.gz PDNVYRYYZSLPGN-UHFFFAOYSA-N -1 0 329.312 2.269 20 5 EEBDRM Cc1cccc2c1C[C@H](C(=O)[O-])N2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001600555359 1350081595 /nfs/dbraw/zinc/08/15/95/1350081595.db2.gz KJJFCXMGXKTLBF-MRXNPFEDSA-N -1 0 340.335 2.488 20 5 EEBDRM Cn1nc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001601015142 1350190366 /nfs/dbraw/zinc/19/03/66/1350190366.db2.gz JXWQYXXXEWUJGN-UHFFFAOYSA-N -1 0 342.670 2.071 20 5 EEBDRM Cn1ncc2ccc(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])cc21 ZINC001601031886 1350194174 /nfs/dbraw/zinc/19/41/74/1350194174.db2.gz KCTMJLKNEFCSJN-UHFFFAOYSA-N -1 0 327.300 2.187 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC001601262340 1350244277 /nfs/dbraw/zinc/24/42/77/1350244277.db2.gz MTLNKMURFUKUMU-ZDUSSCGKSA-N -1 0 348.355 2.175 20 5 EEBDRM O=C([O-])[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC001601344448 1350262463 /nfs/dbraw/zinc/26/24/63/1350262463.db2.gz JWTZYNFECYNPFI-CYBMUJFWSA-N -1 0 337.309 2.404 20 5 EEBDRM O=C([O-])c1ccccc1OCCOC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001601366951 1350267689 /nfs/dbraw/zinc/26/76/89/1350267689.db2.gz XQCKOUDQQYTXIO-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001601408306 1350277804 /nfs/dbraw/zinc/27/78/04/1350277804.db2.gz GEZHNIICYZPICA-GXSJLCMTSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@@]1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCSC1 ZINC001601431934 1350282677 /nfs/dbraw/zinc/28/26/77/1350282677.db2.gz UTWAPXOSMHGFOB-CQSZACIVSA-N -1 0 336.325 2.031 20 5 EEBDRM O=C([O-])c1n[nH]c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC001601611600 1350319245 /nfs/dbraw/zinc/31/92/45/1350319245.db2.gz IFYABOSSOVPMLR-UHFFFAOYSA-N -1 0 332.297 2.483 20 5 EEBDRM O=C([O-])[C@H]1[C@@H](O)CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001601754944 1350357253 /nfs/dbraw/zinc/35/72/53/1350357253.db2.gz PGAOBOXNWLHOKW-GOEBONIOSA-N -1 0 346.339 2.265 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001601860159 1350383397 /nfs/dbraw/zinc/38/33/97/1350383397.db2.gz QDPAOYARWWJVGE-LLVKDONJSA-N -1 0 337.401 2.123 20 5 EEBDRM O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC001601874575 1350387139 /nfs/dbraw/zinc/38/71/39/1350387139.db2.gz OYYGTYWGMOVEMV-OAHLLOKOSA-N -1 0 342.307 2.255 20 5 EEBDRM O=C([O-])CN(Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001602059985 1350429784 /nfs/dbraw/zinc/42/97/84/1350429784.db2.gz BNDHBPBPGPFVKE-UHFFFAOYSA-N -1 0 340.339 2.489 20 5 EEBDRM O=C([O-])CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC001602060769 1350430332 /nfs/dbraw/zinc/43/03/32/1350430332.db2.gz XBGAIFNSAWQQDY-UHFFFAOYSA-N -1 0 346.343 2.474 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001602172720 1350457456 /nfs/dbraw/zinc/45/74/56/1350457456.db2.gz LYJWRJNCYUYYLO-NEPJUHHUSA-N -1 0 342.298 2.446 20 5 EEBDRM O=C([O-])c1cc(C2CCN(Cc3cccnc3[N+](=O)[O-])CC2)no1 ZINC001602253700 1350477962 /nfs/dbraw/zinc/47/79/62/1350477962.db2.gz XXTXCKVGDCMNPD-UHFFFAOYSA-N -1 0 332.316 2.056 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(C[C@H]2CC3(CO2)CCCCC3)c1 ZINC001602298784 1350488292 /nfs/dbraw/zinc/48/82/92/1350488292.db2.gz FRAXHTTXOMQVMB-GFCCVEGCSA-N -1 0 336.344 2.194 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](O)CC(F)(F)C1 ZINC001602299391 1350488366 /nfs/dbraw/zinc/48/83/66/1350488366.db2.gz PKDHNBLXJWFPOU-SSDOTTSWSA-N -1 0 336.678 2.153 20 5 EEBDRM O=C([O-])c1ccc(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001602334241 1350496343 /nfs/dbraw/zinc/49/63/43/1350496343.db2.gz KXKHRMOEAMLIML-UHFFFAOYSA-N -1 0 326.308 2.378 20 5 EEBDRM O=C([O-])c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC001602382076 1350507780 /nfs/dbraw/zinc/50/77/80/1350507780.db2.gz YLHPROXZPNXZPU-UHFFFAOYSA-N -1 0 331.284 2.071 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2F)c1 ZINC001602404401 1350511405 /nfs/dbraw/zinc/51/14/05/1350511405.db2.gz XJIZOEAHGKCWDE-UHFFFAOYSA-N -1 0 339.300 2.406 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](c3ccc(O)cc3)C2)n1 ZINC001602403934 1350511509 /nfs/dbraw/zinc/51/15/09/1350511509.db2.gz WAOIJSTVMDBVKX-LLVKDONJSA-N -1 0 329.312 2.388 20 5 EEBDRM O=C([O-])[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001602600101 1350554406 /nfs/dbraw/zinc/55/44/06/1350554406.db2.gz BPRNBXYMMHDAJR-CYBMUJFWSA-N -1 0 346.251 2.486 20 5 EEBDRM O=C([O-])c1ccccc1OCCOC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001602613978 1350557486 /nfs/dbraw/zinc/55/74/86/1350557486.db2.gz LLJDTHSUPIBKKG-UHFFFAOYSA-N -1 0 347.279 2.234 20 5 EEBDRM C[C@](NC(=O)c1cccnc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604312882 1350913472 /nfs/dbraw/zinc/91/34/72/1350913472.db2.gz GKWJDPZGJZOFHG-OAHLLOKOSA-N -1 0 349.730 2.373 20 5 EEBDRM C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC[S@@](=O)C1 ZINC001604808002 1351010889 /nfs/dbraw/zinc/01/08/89/1351010889.db2.gz IGNFEVCAEOUZFY-QSIZCVBASA-N -1 0 346.792 2.151 20 5 EEBDRM CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001604956601 1351038851 /nfs/dbraw/zinc/03/88/51/1351038851.db2.gz YYONLKVXYHOGEM-SNVBAGLBSA-N -1 0 344.389 2.350 20 5 EEBDRM CCOC(=O)C1(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCCC1 ZINC001605521108 1351178311 /nfs/dbraw/zinc/17/83/11/1351178311.db2.gz RHJYGELRZRPDHI-UHFFFAOYSA-N -1 0 336.344 2.259 20 5 EEBDRM CCOC(=O)N[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001605551637 1351189172 /nfs/dbraw/zinc/18/91/72/1351189172.db2.gz KPUPPDIWELSOEK-LLVKDONJSA-N -1 0 337.332 2.008 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)n1 ZINC001605925526 1351255223 /nfs/dbraw/zinc/25/52/23/1351255223.db2.gz GVFCDJJCDRPPCY-LBPRGKRZSA-N -1 0 346.343 2.065 20 5 EEBDRM COc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC001607303727 1351469009 /nfs/dbraw/zinc/46/90/09/1351469009.db2.gz PVWZTBHJTMVSEC-GMXVVIOVSA-N -1 0 348.355 2.319 20 5 EEBDRM COc1cccc(C[C@H]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001607321443 1351473083 /nfs/dbraw/zinc/47/30/83/1351473083.db2.gz GQSLDHWNOKHSDF-HNNXBMFYSA-N -1 0 346.339 2.095 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](O)c2ccc(F)cc2)n1 ZINC001607588950 1351520460 /nfs/dbraw/zinc/52/04/60/1351520460.db2.gz AWZOKKKQZNPCJG-LBPRGKRZSA-N -1 0 335.291 2.281 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C(C)(C)CC(=O)[O-])c1 ZINC001607824840 1351565939 /nfs/dbraw/zinc/56/59/39/1351565939.db2.gz GCJKMPCDFIXQMO-UHFFFAOYSA-N -1 0 338.360 2.384 20 5 EEBDRM Cc1cn(C(C)(C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001607901985 1351582470 /nfs/dbraw/zinc/58/24/70/1351582470.db2.gz YXLCDLAEXKJINN-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM Cc1ccsc1[C@H](CO)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607901303 1351582571 /nfs/dbraw/zinc/58/25/71/1351582571.db2.gz CSNHOMVGMMEBAT-LBPRGKRZSA-N -1 0 336.369 2.486 20 5 EEBDRM O=C([O-])[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC001608352315 1351676735 /nfs/dbraw/zinc/67/67/35/1351676735.db2.gz YHODYOXHFVPKRW-CYBMUJFWSA-N -1 0 337.309 2.404 20 5 EEBDRM O=C(CC(F)(F)F)NCC1(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111760153 1371246995 /nfs/dbraw/zinc/24/69/95/1371246995.db2.gz CRUYUEWUPXBSDC-UHFFFAOYSA-N -1 0 348.281 2.099 20 5 EEBDRM O=C([N-]S(=O)(=O)[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000835590717 1372638254 /nfs/dbraw/zinc/63/82/54/1372638254.db2.gz NANOUAUGKLBWKP-CYBMUJFWSA-N -1 0 349.368 2.060 20 5 EEBDRM O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000919750809 770256090 /nfs/dbraw/zinc/25/60/90/770256090.db2.gz HJDXAWATOCSZJO-UHFFFAOYSA-N -1 0 340.295 2.444 20 5 EEBDRM Cc1n[nH]c(C(=O)NCC=CCNc2ccc(C)cc2[N+](=O)[O-])c1[O-] ZINC001107125664 785176574 /nfs/dbraw/zinc/17/65/74/785176574.db2.gz CJSQJPTXFLYTJK-ARJAWSKDSA-N -1 0 345.359 2.038 20 5 EEBDRM O=C(CCOc1ccccc1[N+](=O)[O-])NC1(C(=O)[O-])CCCCC1 ZINC000819145784 785421298 /nfs/dbraw/zinc/42/12/98/785421298.db2.gz XCEZIZIPUFXSEH-UHFFFAOYSA-N -1 0 336.344 2.267 20 5 EEBDRM C[N@@H+]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000908572740 785538231 /nfs/dbraw/zinc/53/82/31/785538231.db2.gz HRUQIPHADYNJHA-UHFFFAOYSA-N -1 0 333.388 2.391 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000844218443 788908538 /nfs/dbraw/zinc/90/85/38/788908538.db2.gz NZZCNGXDGJNGQS-LBPRGKRZSA-N -1 0 331.332 2.034 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@](C)(O)c2ccsc2)n1 ZINC000844210159 788927574 /nfs/dbraw/zinc/92/75/74/788927574.db2.gz QBVZJRZAFCOEJW-CQSZACIVSA-N -1 0 337.357 2.378 20 5 EEBDRM C[C@@](O)(CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000844209931 788927945 /nfs/dbraw/zinc/92/79/45/788927945.db2.gz LIVVGKUMHPIXKQ-MRXNPFEDSA-N -1 0 331.328 2.398 20 5 EEBDRM COc1ccc(NCCO)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504383 797784967 /nfs/dbraw/zinc/78/49/67/797784967.db2.gz BLGUDMCWPNYMDX-UHFFFAOYSA-N -1 0 347.327 2.449 20 5 EEBDRM CNC(=O)Cc1ccccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176679070 798525865 /nfs/dbraw/zinc/52/58/65/798525865.db2.gz BXCQNTXWYMUXNA-UHFFFAOYSA-N -1 0 329.312 2.325 20 5 EEBDRM Cc1c(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cccc1[N+](=O)[O-] ZINC000791018742 809034292 /nfs/dbraw/zinc/03/42/92/809034292.db2.gz UKWFLOVPXAJXTN-UHFFFAOYSA-N -1 0 331.284 2.447 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C(=O)[O-])cc1 ZINC000346018451 939128916 /nfs/dbraw/zinc/12/89/16/939128916.db2.gz QOZFQAUNIZTTPS-OAHLLOKOSA-N -1 0 344.323 2.468 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC001611382327 971022819 /nfs/dbraw/zinc/02/28/19/971022819.db2.gz KIKPTEMUSLXCOF-LLVKDONJSA-N -1 0 336.347 2.228 20 5 EEBDRM CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC001589711530 950335296 /nfs/dbraw/zinc/33/52/96/950335296.db2.gz XZKJXBKNXOYTOF-ZETCQYMHSA-N -1 0 332.259 2.131 20 5 EEBDRM O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CO1 ZINC001595006190 951203216 /nfs/dbraw/zinc/20/32/16/951203216.db2.gz RQMFZIJWUYVXDQ-JGVFFNPUSA-N -1 0 344.270 2.081 20 5 EEBDRM O=C([O-])CN(CC1CC1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001595070086 951589871 /nfs/dbraw/zinc/58/98/71/951589871.db2.gz JFBAMFQVXSBIHJ-UHFFFAOYSA-N -1 0 328.271 2.010 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001594762926 953512488 /nfs/dbraw/zinc/51/24/88/953512488.db2.gz CLSLHGSJRHDHRE-UHFFFAOYSA-N -1 0 330.300 2.052 20 5 EEBDRM O=C([O-])C1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CCC1 ZINC001594869050 954330646 /nfs/dbraw/zinc/33/06/46/954330646.db2.gz AINRWABXRYCTFF-UHFFFAOYSA-N -1 0 330.300 2.178 20 5 EEBDRM Cc1cc(C(=O)[O-])cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC001594286729 957785205 /nfs/dbraw/zinc/78/52/05/957785205.db2.gz VSBYLRGNEAJSGH-UHFFFAOYSA-N -1 0 343.339 2.443 20 5 EEBDRM Cc1cccc([C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C(=O)[O-])c1 ZINC001605327828 973172935 /nfs/dbraw/zinc/17/29/35/973172935.db2.gz HQQVZAIPUQGNCX-AWEZNQCLSA-N -1 0 329.312 2.162 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001606285144 973677364 /nfs/dbraw/zinc/67/73/64/973677364.db2.gz IZTDJZZUMZHASD-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC001591751291 975802774 /nfs/dbraw/zinc/80/27/74/975802774.db2.gz NMQAZZRWNVYZJC-XQHKEYJVSA-N -1 0 348.355 2.221 20 5 EEBDRM CC(C)c1nc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)no1 ZINC001592019361 976704011 /nfs/dbraw/zinc/70/40/11/976704011.db2.gz CJZADKIDGVEAKD-UHFFFAOYSA-N -1 0 335.272 2.156 20 5 EEBDRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001592199554 977188900 /nfs/dbraw/zinc/18/89/00/977188900.db2.gz BMVCOARIEKVMBP-SKRYNEFJSA-N -1 0 343.133 2.116 20 5 EEBDRM CCc1ncc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC000864175273 979814728 /nfs/dbraw/zinc/81/47/28/979814728.db2.gz NPCLHYGHQMJRDQ-OAHLLOKOSA-N -1 0 349.368 2.344 20 5 EEBDRM O=C([O-])C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000901503438 980323542 /nfs/dbraw/zinc/32/35/42/980323542.db2.gz SPAMWHAAMIKRKH-NSHDSACASA-N -1 0 348.277 2.289 20 5 EEBDRM CC[C@H]1COCCN1CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001595500471 981272628 /nfs/dbraw/zinc/27/26/28/981272628.db2.gz MUVJNBPTYLBSDZ-LBPRGKRZSA-N -1 0 337.376 2.124 20 5 EEBDRM CCCc1nc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)no1 ZINC001596089665 983413629 /nfs/dbraw/zinc/41/36/29/983413629.db2.gz LNUASIOSKPONRZ-HNNXBMFYSA-N -1 0 334.332 2.020 20 5 EEBDRM CCN(CC1CCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001596296367 983719201 /nfs/dbraw/zinc/71/92/01/983719201.db2.gz ZIYKHNZYTHXXCA-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM CCOC(=O)c1ccnc(N2CCCC[C@@H]2CC(=O)[O-])c1[N+](=O)[O-] ZINC001596733059 985015076 /nfs/dbraw/zinc/01/50/76/985015076.db2.gz SZDCAZGNZWYATN-SNVBAGLBSA-N -1 0 337.332 2.000 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)COc1ccc([N+](=O)[O-])c(F)c1F ZINC001599960698 985775625 /nfs/dbraw/zinc/77/56/25/985775625.db2.gz MHUDUPOJEFLYHQ-UHFFFAOYSA-N -1 0 340.238 2.469 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C[C@H](C)[S@@]1=O ZINC001594574576 986406008 /nfs/dbraw/zinc/40/60/08/986406008.db2.gz BHKMCEHZMSENJE-KIAZABQESA-N -1 0 346.792 2.292 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CCC1 ZINC001589476669 986976518 /nfs/dbraw/zinc/97/65/18/986976518.db2.gz FQYQVAQKYZYVCI-SSDOTTSWSA-N -1 0 328.271 2.341 20 5 EEBDRM CS[C@@H](CO)[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599786511 987931250 /nfs/dbraw/zinc/93/12/50/987931250.db2.gz CSLKZZXOFCGTLI-RCOVLWMOSA-N -1 0 334.781 2.471 20 5 EEBDRM CCc1cc(N[C@H]2C[C@@H](C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001597482708 987980994 /nfs/dbraw/zinc/98/09/94/987980994.db2.gz VRJCKCFEHMLKHY-BJHJDKERSA-N -1 0 342.355 2.311 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001599877040 989432476 /nfs/dbraw/zinc/43/24/76/989432476.db2.gz HARQPHZIUGKBGC-GHMZBOCLSA-N -1 0 345.355 2.330 20 5 EEBDRM CC(C)(C)Oc1cc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC001590409255 989945781 /nfs/dbraw/zinc/94/57/81/989945781.db2.gz HVBCTHGTYIYTOJ-PWSUYJOCSA-N -1 0 338.360 2.044 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001598474534 992066025 /nfs/dbraw/zinc/06/60/25/992066025.db2.gz HWWACJCPTUWTGZ-UHFFFAOYSA-N -1 0 331.328 2.267 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC001598680442 994919686 /nfs/dbraw/zinc/91/96/86/994919686.db2.gz INBHWFMEFFGIOJ-OAHLLOKOSA-N -1 0 344.323 2.489 20 5 EEBDRM C[C@@]1(Br)C[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001593739263 996352232 /nfs/dbraw/zinc/35/22/32/996352232.db2.gz FJTXUNGWZZSKID-JOYOIKCWSA-N -1 0 343.133 2.405 20 5 EEBDRM CC1(C(=O)[O-])CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001593807991 996539789 /nfs/dbraw/zinc/53/97/89/996539789.db2.gz JKBKADWDCJQOBV-UHFFFAOYSA-N -1 0 341.323 2.204 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC001599190737 997119247 /nfs/dbraw/zinc/11/92/47/997119247.db2.gz MWXXNIWDLBQYQU-DPCFLFMUSA-N -1 0 348.355 2.090 20 5 EEBDRM COC(=O)[C@]12CCC[C@H]1CN(c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])C2 ZINC001598908564 997315950 /nfs/dbraw/zinc/31/59/50/997315950.db2.gz WMPVHXXVXRCZEF-GTNSWQLSSA-N -1 0 348.355 2.381 20 5 EEBDRM CON(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@H](C)CC(=O)[O-] ZINC001599310978 997414596 /nfs/dbraw/zinc/41/45/96/997414596.db2.gz HWRBXKFXTCJCMI-SECBINFHSA-N -1 0 347.327 2.197 20 5 EEBDRM CC1(CS(=O)(=O)Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])CCC1 ZINC001594038508 997641019 /nfs/dbraw/zinc/64/10/19/997641019.db2.gz BSLYFWYFSXRVBK-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@H](CC(C)(C)C)C(=O)[O-] ZINC001599427444 997701535 /nfs/dbraw/zinc/70/15/35/997701535.db2.gz SLESKMUQRAVDQN-GFCCVEGCSA-N -1 0 340.332 2.232 20 5 EEBDRM COc1ccc([C@@H](O)CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599535073 997727930 /nfs/dbraw/zinc/72/79/30/997727930.db2.gz ZWNOTUYLVDKAQA-INIZCTEOSA-N -1 0 346.339 2.376 20 5 EEBDRM C[C@@H]1CC(=O)CC[C@H]1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594197499 998764226 /nfs/dbraw/zinc/76/42/26/998764226.db2.gz SWPVEAQXXTZWOO-NOZJJQNGSA-N -1 0 335.312 2.342 20 5 EEBDRM C[C@@H]1C[C@@H](CO)CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001594243134 998923969 /nfs/dbraw/zinc/92/39/69/998923969.db2.gz LVXVMIRBYOVRIG-RKDXNWHRSA-N -1 0 328.752 2.401 20 5 EEBDRM CO[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC001599027194 999024482 /nfs/dbraw/zinc/02/44/82/999024482.db2.gz OOKRXKZKIQPFID-AWEZNQCLSA-N -1 0 346.295 2.325 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000183969283 235274544 /nfs/dbraw/zinc/27/45/44/235274544.db2.gz HQCXZKRSIMXCIU-VXGBXAGGSA-N -1 0 335.360 2.014 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000236612220 242295046 /nfs/dbraw/zinc/29/50/46/242295046.db2.gz RDWKUBCZUWPOCO-CQSZACIVSA-N -1 0 346.343 2.010 20 5 EEBDRM CCc1ccc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263085797 245323033 /nfs/dbraw/zinc/32/30/33/245323033.db2.gz VDRFACOVNPLJMW-SECBINFHSA-N -1 0 334.250 2.293 20 5 EEBDRM COc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)cc([N+](=O)[O-])c1C ZINC000263166386 245349437 /nfs/dbraw/zinc/34/94/37/245349437.db2.gz PMNFYQJAZMSWIC-UHFFFAOYSA-N -1 0 336.344 2.285 20 5 EEBDRM O=C([O-])CCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000263289513 245383208 /nfs/dbraw/zinc/38/32/08/245383208.db2.gz VWQTZEBXIJYURJ-UHFFFAOYSA-N -1 0 332.765 2.321 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])cc1SC ZINC000263367104 245401728 /nfs/dbraw/zinc/40/17/28/245401728.db2.gz AJEKVEHLTVENCZ-HTQZYQBOSA-N -1 0 342.373 2.164 20 5 EEBDRM COC(=O)c1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])oc1C ZINC000273298705 256285259 /nfs/dbraw/zinc/28/52/59/256285259.db2.gz UJCZBNKRSYZHCX-UHFFFAOYSA-N -1 0 348.311 2.261 20 5 EEBDRM COC1(C(F)(F)F)CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000416272207 292098996 /nfs/dbraw/zinc/09/89/96/292098996.db2.gz YQSARXUXEGXWFJ-UHFFFAOYSA-N -1 0 348.277 2.484 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000262532357 152288896 /nfs/dbraw/zinc/28/88/96/152288896.db2.gz PUMTUTCGMSDJRJ-WPRPVWTQSA-N -1 0 326.736 2.431 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000263161275 152391673 /nfs/dbraw/zinc/39/16/73/152391673.db2.gz JRUFQXGLEGOTLV-KWQFWETISA-N -1 0 326.736 2.112 20 5 EEBDRM O=C(NCc1ccccc1-n1ccnc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130441843 292373664 /nfs/dbraw/zinc/37/36/64/292373664.db2.gz IFQQXMDMONWHED-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C(Nc1cc(-c2cccnc2)[nH]n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000132435843 292400853 /nfs/dbraw/zinc/40/08/53/292400853.db2.gz FHZFQHNNJOKZGP-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-n2cnnc2)cc1 ZINC000092545912 159222344 /nfs/dbraw/zinc/22/23/44/159222344.db2.gz LSOMLNYRSXNGPF-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000237974062 160226966 /nfs/dbraw/zinc/22/69/66/160226966.db2.gz DPFXZJVDVPXFFJ-CQSZACIVSA-N -1 0 332.287 2.160 20 5 EEBDRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000238031108 160227540 /nfs/dbraw/zinc/22/75/40/160227540.db2.gz NTLMLPGUHRXMIT-MRXNPFEDSA-N -1 0 340.335 2.175 20 5 EEBDRM COc1ccc2[nH]nc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1 ZINC000343094500 161102916 /nfs/dbraw/zinc/10/29/16/161102916.db2.gz LBDOVIIVMXOOBH-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000345893684 161340198 /nfs/dbraw/zinc/34/01/98/161340198.db2.gz YIHLPZXVLXCTLO-UHFFFAOYSA-N -1 0 343.295 2.226 20 5 EEBDRM NC(=O)c1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1Cl ZINC000355378700 163168434 /nfs/dbraw/zinc/16/84/34/163168434.db2.gz SFLONLGOBJLDRL-UHFFFAOYSA-N -1 0 335.703 2.305 20 5 EEBDRM O=C(NC[C@@H]1OCCc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000375233765 167093069 /nfs/dbraw/zinc/09/30/69/167093069.db2.gz MOFLZISPXKBYOV-INIZCTEOSA-N -1 0 328.324 2.344 20 5 EEBDRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000275309490 269107100 /nfs/dbraw/zinc/10/71/00/269107100.db2.gz NYFZVHMNJHMRSP-NSHDSACASA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1csc(N2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])CC2)n1 ZINC000280834883 274601648 /nfs/dbraw/zinc/60/16/48/274601648.db2.gz UEOVWEKUHXLBSE-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000290572741 275219253 /nfs/dbraw/zinc/21/92/53/275219253.db2.gz UKPCLTHGSQGYPV-CYBMUJFWSA-N -1 0 328.390 2.468 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@](CO)(c2ccccc2)C1 ZINC000291104621 275270898 /nfs/dbraw/zinc/27/08/98/275270898.db2.gz DZGQODUHAVXDKY-SFHVURJKSA-N -1 0 342.351 2.077 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000292270205 275404334 /nfs/dbraw/zinc/40/43/34/275404334.db2.gz WSSUSJDTVXEXGQ-LLVKDONJSA-N -1 0 336.735 2.238 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262875498 300664246 /nfs/dbraw/zinc/66/42/46/300664246.db2.gz BIKLZBZXEDCJGZ-AAEUAGOBSA-N -1 0 347.371 2.130 20 5 EEBDRM CN(C1(C(=O)[O-])CCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000391932168 312440171 /nfs/dbraw/zinc/44/01/71/312440171.db2.gz UDJQZOUHGKCMLB-UHFFFAOYSA-N -1 0 342.373 2.003 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[n-]1 ZINC000415649667 313160677 /nfs/dbraw/zinc/16/06/77/313160677.db2.gz QQIGWRFLSRPOIY-UHFFFAOYSA-N -1 0 346.343 2.411 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000422557349 314281931 /nfs/dbraw/zinc/28/19/31/314281931.db2.gz JZBZDWPLGZSYRE-KOLCDFICSA-N -1 0 332.316 2.192 20 5 EEBDRM O=C(Nc1ccc(OCCCO)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436699529 314989369 /nfs/dbraw/zinc/98/93/69/314989369.db2.gz USUWVANLLHOVQJ-UHFFFAOYSA-N -1 0 332.312 2.314 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)OC(C)C ZINC000436786341 314998046 /nfs/dbraw/zinc/99/80/46/314998046.db2.gz XOIMDKGFKSKVEL-LBPRGKRZSA-N -1 0 338.360 2.397 20 5 EEBDRM CCOC(=O)[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436796172 314999091 /nfs/dbraw/zinc/99/90/91/314999091.db2.gz UYNQJPNATIULPW-OAHLLOKOSA-N -1 0 344.323 2.335 20 5 EEBDRM CNC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436949370 315015195 /nfs/dbraw/zinc/01/51/95/315015195.db2.gz KCVLOIGKQICBTM-UHFFFAOYSA-N -1 0 330.300 2.304 20 5 EEBDRM O=C(NCc1cccc(-n2ccnc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436970410 315018206 /nfs/dbraw/zinc/01/82/06/315018206.db2.gz DNBUTLGCBHBOLX-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[nH]nc1-c1cccnc1 ZINC000544256320 318183377 /nfs/dbraw/zinc/18/33/77/318183377.db2.gz JORWZFCSWSVDCY-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000565041072 319142772 /nfs/dbraw/zinc/14/27/72/319142772.db2.gz MQBUDWHEEQCGMN-LBPRGKRZSA-N -1 0 342.355 2.403 20 5 EEBDRM O=C([O-])c1ccoc1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000565899050 319225362 /nfs/dbraw/zinc/22/53/62/319225362.db2.gz ZYKSKJWNQAZKPR-UHFFFAOYSA-N -1 0 331.328 2.208 20 5 EEBDRM CCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000566066369 319240300 /nfs/dbraw/zinc/24/03/00/319240300.db2.gz ORKVXIBYYXDKGE-UHFFFAOYSA-N -1 0 342.373 2.246 20 5 EEBDRM CC1(C)[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]2CCO[C@H]21 ZINC000567050193 319343751 /nfs/dbraw/zinc/34/37/51/319343751.db2.gz FYMGLCJBHAWVKE-ZEGGKSINSA-N -1 0 340.763 2.497 20 5 EEBDRM COc1ccc(OC)c(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000567980438 319440845 /nfs/dbraw/zinc/44/08/45/319440845.db2.gz ARTOXZVZEZBUQU-UHFFFAOYSA-N -1 0 347.327 2.360 20 5 EEBDRM C[C@@H](N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(C)(C)C ZINC000570926358 319710604 /nfs/dbraw/zinc/71/06/04/319710604.db2.gz WDJWWRWTMBWWRH-SECBINFHSA-N -1 0 344.389 2.348 20 5 EEBDRM CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572770546 319875982 /nfs/dbraw/zinc/87/59/82/319875982.db2.gz WZWXSCXITUWCDE-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000575200498 320095806 /nfs/dbraw/zinc/09/58/06/320095806.db2.gz WSBWQAAKTAAASC-ZDUSSCGKSA-N -1 0 349.368 2.324 20 5 EEBDRM Cc1cc(NCCCOC[C@@H]2CCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576945920 320218618 /nfs/dbraw/zinc/21/86/18/320218618.db2.gz DEZYINQFGBMHEQ-LBPRGKRZSA-N -1 0 338.360 2.457 20 5 EEBDRM COCCN(C[C@@H]1CC=CCC1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576994476 320222824 /nfs/dbraw/zinc/22/28/24/320222824.db2.gz PKTOLPWILLPKMG-GFCCVEGCSA-N -1 0 335.360 2.497 20 5 EEBDRM O=C(Nc1cnn(CC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184796809 465026837 /nfs/dbraw/zinc/02/68/37/465026837.db2.gz GNBOLGPHQPYXHG-UHFFFAOYSA-N -1 0 330.222 2.312 20 5 EEBDRM Cn1c(=O)c2cc3ccccc3cc2nc1SCc1n[nH]c(=O)[n-]1 ZINC000351701071 465301654 /nfs/dbraw/zinc/30/16/54/465301654.db2.gz VDEGIHKBLAEPHC-UHFFFAOYSA-N -1 0 339.380 2.203 20 5 EEBDRM CN(CCCC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000067180712 462976894 /nfs/dbraw/zinc/97/68/94/462976894.db2.gz RJTOJZHXRWHZLM-UHFFFAOYSA-N -1 0 338.360 2.494 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCOC(C)(C)C2)cc1C ZINC000156305912 463005086 /nfs/dbraw/zinc/00/50/86/463005086.db2.gz ZHLFZDGQYAMCHX-GFCCVEGCSA-N -1 0 342.417 2.448 20 5 EEBDRM COc1ccc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(OC)c1 ZINC000356503253 465422512 /nfs/dbraw/zinc/42/25/12/465422512.db2.gz FKPTUXFFJXNDOZ-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM Cn1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)cn1 ZINC000170599074 463680542 /nfs/dbraw/zinc/68/05/42/463680542.db2.gz RVFAXYHTZRVPSC-UHFFFAOYSA-N -1 0 330.344 2.054 20 5 EEBDRM Cc1cc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000261603379 463797754 /nfs/dbraw/zinc/79/77/54/463797754.db2.gz CCUJNKHVWKYLRQ-ZDUSSCGKSA-N -1 0 346.261 2.382 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)o1 ZINC000194741310 463920702 /nfs/dbraw/zinc/92/07/02/463920702.db2.gz JJKZHNUCEVQTCG-UHFFFAOYSA-N -1 0 340.361 2.348 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)ccc1[N+](=O)[O-] ZINC000172266077 464033668 /nfs/dbraw/zinc/03/36/68/464033668.db2.gz LPDQDMYFAMXFHK-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM COc1ccc(S(=O)(=O)C=C([O-])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000219038112 464109979 /nfs/dbraw/zinc/10/99/79/464109979.db2.gz RXOXCANGBMVUIN-UHFFFAOYSA-N -1 0 335.337 2.260 20 5 EEBDRM Cc1cccc(N(CCC(N)=O)C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000179465498 464141667 /nfs/dbraw/zinc/14/16/67/464141667.db2.gz OGYPPQMOJLASRZ-UHFFFAOYSA-N -1 0 343.339 2.131 20 5 EEBDRM Cc1cnc(N2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])CC2)s1 ZINC000281004046 464295388 /nfs/dbraw/zinc/29/53/88/464295388.db2.gz RLPKIQWYVDROQR-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM CCC(CC)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1=O ZINC000180776577 464392670 /nfs/dbraw/zinc/39/26/70/464392670.db2.gz ZAOFHUHXUJUVFX-SNVBAGLBSA-N -1 0 335.360 2.276 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])o1 ZINC000238094127 464431953 /nfs/dbraw/zinc/43/19/53/464431953.db2.gz XBKLABIEWSLRAH-QHHAFSJGSA-N -1 0 334.259 2.355 20 5 EEBDRM Cc1ccc(NC(=O)CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000182127971 464577277 /nfs/dbraw/zinc/57/72/77/464577277.db2.gz JDFMFESDFABFRE-UHFFFAOYSA-N -1 0 343.339 2.320 20 5 EEBDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000176716862 464832231 /nfs/dbraw/zinc/83/22/31/464832231.db2.gz GUGSSOUASUFUGH-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CCOC(=O)[C@@H](CC)N(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000276235763 464857405 /nfs/dbraw/zinc/85/74/05/464857405.db2.gz ORQCXIOMGIYZFF-CQSZACIVSA-N -1 0 336.344 2.247 20 5 EEBDRM O=C(NCCCn1cnc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356350302 465331144 /nfs/dbraw/zinc/33/11/44/465331144.db2.gz VDUIDDBLWYIDSD-UHFFFAOYSA-N -1 0 340.339 2.470 20 5 EEBDRM O=C(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 ZINC000356463534 465398658 /nfs/dbraw/zinc/39/86/58/465398658.db2.gz PLKAYHFVVAMYAM-UHFFFAOYSA-N -1 0 349.730 2.322 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1nc(C(F)(F)F)no1 ZINC000600032613 468439854 /nfs/dbraw/zinc/43/98/54/468439854.db2.gz XFADWRNPEXKPRR-YFKPBYRVSA-N -1 0 346.221 2.193 20 5 EEBDRM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000344672799 465769681 /nfs/dbraw/zinc/76/96/81/465769681.db2.gz VYZMMQZYABYLDH-UHFFFAOYSA-N -1 0 349.368 2.097 20 5 EEBDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000362597328 465866989 /nfs/dbraw/zinc/86/69/89/465866989.db2.gz WIAHMGMTZCMPBI-UHFFFAOYSA-N -1 0 345.311 2.201 20 5 EEBDRM CCCc1csc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])n1 ZINC000349038250 465932592 /nfs/dbraw/zinc/93/25/92/465932592.db2.gz OGKOUDFEFMBDEH-UHFFFAOYSA-N -1 0 345.406 2.021 20 5 EEBDRM CN1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000367374735 466300772 /nfs/dbraw/zinc/30/07/72/466300772.db2.gz LTJCAFHRFFMGIX-UHFFFAOYSA-N -1 0 333.369 2.341 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)cc1 ZINC000361950684 466433826 /nfs/dbraw/zinc/43/38/26/466433826.db2.gz DQFDIQXLDBGRGU-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM O=C(Nc1cccnc1-n1cccn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432575887 467250893 /nfs/dbraw/zinc/25/08/93/467250893.db2.gz ANBRHZYVGXOSOD-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CC2 ZINC000405425526 467482166 /nfs/dbraw/zinc/48/21/66/467482166.db2.gz VEUHWRIFUVSFHB-XSHSDMCLSA-N -1 0 330.340 2.321 20 5 EEBDRM Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)C(=O)[O-])cc1 ZINC000431526112 467522211 /nfs/dbraw/zinc/52/22/11/467522211.db2.gz RWPIEWOTEXUKFM-OAHLLOKOSA-N -1 0 343.339 2.205 20 5 EEBDRM O=C(NCCOc1cncc(Cl)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436510107 467542325 /nfs/dbraw/zinc/54/23/25/467542325.db2.gz FHAVSYDQVGAMNO-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM O=C(NCc1ccn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436779947 467554382 /nfs/dbraw/zinc/55/43/82/467554382.db2.gz YDNYLTJECJKRLG-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCO[C@H]2CCCC[C@H]2C)n1 ZINC000577955346 468194936 /nfs/dbraw/zinc/19/49/36/468194936.db2.gz PAURIKJYHQEPGQ-MFKMUULPSA-N -1 0 337.376 3.004 20 5 EEBDRM COc1ccc2c(c1)OC[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000567978750 468248365 /nfs/dbraw/zinc/24/83/65/468248365.db2.gz QQXGRKKOCYWLFX-JTQLQIEISA-N -1 0 345.311 2.112 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000578769844 468256206 /nfs/dbraw/zinc/25/62/06/468256206.db2.gz AEJBYTSWEQHQBS-ZWNOBZJWSA-N -1 0 336.344 2.176 20 5 EEBDRM C[C@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCCO1 ZINC000569726529 468535039 /nfs/dbraw/zinc/53/50/39/468535039.db2.gz BGEHIZSMUCPCKE-LBPRGKRZSA-N -1 0 337.376 2.206 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O[C@@H]3CCOC3)cc2)[nH]1 ZINC000594697701 468656723 /nfs/dbraw/zinc/65/67/23/468656723.db2.gz YDUXHKUOURSMBJ-GCLPIYDQSA-N -1 0 345.311 2.134 20 5 EEBDRM CCC(C)(C)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000594721543 468663444 /nfs/dbraw/zinc/66/34/44/468663444.db2.gz WQUHMVGEMCKLSZ-SECBINFHSA-N -1 0 344.389 2.396 20 5 EEBDRM CO[C@@H](CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1)C1CCCC1 ZINC000594723385 468664506 /nfs/dbraw/zinc/66/45/06/468664506.db2.gz NQGRCCFEKUORDB-ZDUSSCGKSA-N -1 0 343.405 2.245 20 5 EEBDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000600877403 468673608 /nfs/dbraw/zinc/67/36/08/468673608.db2.gz JUQMMUWOMCMYSW-UHFFFAOYSA-N -1 0 338.345 2.197 20 5 EEBDRM CC(C)(CO)[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccnc1 ZINC000597844376 468689850 /nfs/dbraw/zinc/68/98/50/468689850.db2.gz DPFYOADPFKAYLH-OAHLLOKOSA-N -1 0 345.355 2.185 20 5 EEBDRM COc1c(C(=O)N=c2nc(CC(C)C)[n-]s2)cccc1[N+](=O)[O-] ZINC000598192770 468791344 /nfs/dbraw/zinc/79/13/44/468791344.db2.gz ZDKLUDCLYZRBPC-UHFFFAOYSA-N -1 0 336.373 2.328 20 5 EEBDRM CCCC(O)(CCC)CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976433 468831749 /nfs/dbraw/zinc/83/17/49/468831749.db2.gz BMCFOLRVCVNTHY-UHFFFAOYSA-N -1 0 325.365 2.740 20 5 EEBDRM Cc1nn(C)c(NCc2ccc(OCCCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000592980951 468833480 /nfs/dbraw/zinc/83/34/80/468833480.db2.gz XJGMZNWRBHSNGM-UHFFFAOYSA-N -1 0 348.359 2.492 20 5 EEBDRM CNC(=O)CC1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCCC1 ZINC000598385941 468849363 /nfs/dbraw/zinc/84/93/63/468849363.db2.gz NJAPOXAUEHICCL-UHFFFAOYSA-N -1 0 349.387 2.117 20 5 EEBDRM CC(C)(C)c1nc(=NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])s[n-]1 ZINC000593048634 468851860 /nfs/dbraw/zinc/85/18/60/468851860.db2.gz GDCCCSKLRHPIMC-UHFFFAOYSA-N -1 0 338.364 2.486 20 5 EEBDRM CC(C)n1ncc2c1C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])CC2 ZINC000571926240 468859344 /nfs/dbraw/zinc/85/93/44/468859344.db2.gz MMTCBYDXCBEOEC-LLVKDONJSA-N -1 0 345.359 2.435 20 5 EEBDRM C[C@H](CO)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000593827403 469154388 /nfs/dbraw/zinc/15/43/88/469154388.db2.gz FKUVCRGVKBNDNW-SECBINFHSA-N -1 0 342.779 2.434 20 5 EEBDRM C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C(=O)[O-])C1 ZINC000563287731 469221033 /nfs/dbraw/zinc/22/10/33/469221033.db2.gz CTTZABVZIFDWQM-ZWNOBZJWSA-N -1 0 346.343 2.330 20 5 EEBDRM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611559634 469279573 /nfs/dbraw/zinc/27/95/73/469279573.db2.gz UABCTDPWGOYDIJ-MEDUHNTESA-N -1 0 330.340 2.195 20 5 EEBDRM COC(=O)C[C@](C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccncc1 ZINC000616139188 469378949 /nfs/dbraw/zinc/37/89/49/469378949.db2.gz HQBQHRIUTARRNU-KRWDZBQOSA-N -1 0 345.355 2.264 20 5 EEBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000262753327 534387874 /nfs/dbraw/zinc/38/78/74/534387874.db2.gz KQLLATWUHJWCMT-UHFFFAOYSA-N -1 0 346.343 2.182 20 5 EEBDRM CCCC[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000184962003 528983825 /nfs/dbraw/zinc/98/38/25/528983825.db2.gz KJWPUSPZRIKTGI-AWEZNQCLSA-N -1 0 346.343 2.154 20 5 EEBDRM CC(C)(CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC000262992989 535036724 /nfs/dbraw/zinc/03/67/24/535036724.db2.gz LNNJAQFTEIHKHG-UHFFFAOYSA-N -1 0 331.328 2.374 20 5 EEBDRM O=C([O-])N1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000738480468 578016689 /nfs/dbraw/zinc/01/66/89/578016689.db2.gz CDMCQRNIBIWTSG-UHFFFAOYSA-N -1 0 341.751 2.049 20 5 EEBDRM O=C(/C=C\c1cccs1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000732619924 577186363 /nfs/dbraw/zinc/18/63/63/577186363.db2.gz CXYVSEVYJIGTEZ-ARJAWSKDSA-N -1 0 344.395 2.236 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000732904933 577196759 /nfs/dbraw/zinc/19/67/59/577196759.db2.gz MNQUFTDZMMIMSF-JTQLQIEISA-N -1 0 344.389 2.099 20 5 EEBDRM CN(C)C(=O)c1cc(F)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000774063858 577380878 /nfs/dbraw/zinc/38/08/78/577380878.db2.gz SVFIBXLZVDWUDL-UHFFFAOYSA-N -1 0 347.302 2.394 20 5 EEBDRM CCOCCO[N-]C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000775235899 577433205 /nfs/dbraw/zinc/43/32/05/577433205.db2.gz RMMASLYENBQXTQ-UHFFFAOYSA-N -1 0 334.781 2.425 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000770772434 577603389 /nfs/dbraw/zinc/60/33/89/577603389.db2.gz LNNYVONZFYBBBG-MRVPVSSYSA-N -1 0 332.353 2.221 20 5 EEBDRM CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000763970457 577728827 /nfs/dbraw/zinc/72/88/27/577728827.db2.gz ILHVTWZUPQAMSD-NSHDSACASA-N -1 0 328.390 2.190 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000755528959 577826367 /nfs/dbraw/zinc/82/63/67/577826367.db2.gz AJPGEYVPAQQLGJ-RFAUZJTJSA-N -1 0 334.303 2.291 20 5 EEBDRM O=C(Nc1cnn(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000755720307 577829916 /nfs/dbraw/zinc/82/99/16/577829916.db2.gz BLZVMOAYMOBCEY-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000744152478 577893645 /nfs/dbraw/zinc/89/36/45/577893645.db2.gz QAVTYKBMSCYPEQ-CQSZACIVSA-N -1 0 346.364 2.048 20 5 EEBDRM Cc1cccc(N(CC(=O)[O-])C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000738724051 578024989 /nfs/dbraw/zinc/02/49/89/578024989.db2.gz VDCKBYDEBOLNAZ-UHFFFAOYSA-N -1 0 329.312 2.338 20 5 EEBDRM Cn1cc(CCCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000739028816 578035796 /nfs/dbraw/zinc/03/57/96/578035796.db2.gz NKMHBHUGCUHWCU-ALCCZGGFSA-N -1 0 330.344 2.471 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000739202315 578043742 /nfs/dbraw/zinc/04/37/42/578043742.db2.gz DHRWFNYVJOZOAN-ZDUSSCGKSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000739372498 578050777 /nfs/dbraw/zinc/05/07/77/578050777.db2.gz NKJFHYFEBNXIGA-CYBMUJFWSA-N -1 0 336.250 2.429 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=S)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000739532720 578057021 /nfs/dbraw/zinc/05/70/21/578057021.db2.gz PEYVUXWQWDDUQJ-GFCCVEGCSA-N -1 0 335.385 2.478 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)c[nH]1 ZINC000740089696 578080380 /nfs/dbraw/zinc/08/03/80/578080380.db2.gz IKLIOWUHMIEFJE-UHFFFAOYSA-N -1 0 346.704 2.042 20 5 EEBDRM CC(C)CCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000740560464 578098812 /nfs/dbraw/zinc/09/88/12/578098812.db2.gz OZAXEEGHKIINEA-UHFFFAOYSA-N -1 0 342.417 2.365 20 5 EEBDRM CC(C)n1ccc(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])n1 ZINC000735966512 578175636 /nfs/dbraw/zinc/17/56/36/578175636.db2.gz RPTBXNUBUPZIPA-UHFFFAOYSA-N -1 0 328.336 2.164 20 5 EEBDRM CC(=O)c1[nH]c(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC000736179955 578186100 /nfs/dbraw/zinc/18/61/00/578186100.db2.gz OGVFOJAXVMDRNZ-UHFFFAOYSA-N -1 0 345.311 2.313 20 5 EEBDRM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736219263 578187920 /nfs/dbraw/zinc/18/79/20/578187920.db2.gz MQUFNDNJLSBYTF-NEPJUHHUSA-N -1 0 347.371 2.109 20 5 EEBDRM C[C@H](C1CC1)N(C(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1CC1 ZINC000736540017 578210224 /nfs/dbraw/zinc/21/02/24/578210224.db2.gz BWNKYWLWEGRZMB-SNVBAGLBSA-N -1 0 348.355 2.461 20 5 EEBDRM CCC1(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000176101961 676859319 /nfs/dbraw/zinc/85/93/19/676859319.db2.gz LMBLJDRPDGNWSU-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000164842963 601819197 /nfs/dbraw/zinc/81/91/97/601819197.db2.gz DHAPQTQCYVTTAU-UHFFFAOYSA-N -1 0 345.149 2.198 20 5 EEBDRM CC(C)[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000820053225 597710098 /nfs/dbraw/zinc/71/00/98/597710098.db2.gz HHVXGVLBTORBHM-JTQLQIEISA-N -1 0 332.259 2.035 20 5 EEBDRM CC(C)C1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000826742214 600820143 /nfs/dbraw/zinc/82/01/43/600820143.db2.gz WVRLNEZWFKHPSJ-UHFFFAOYSA-N -1 0 349.387 2.282 20 5 EEBDRM C[C@@](O)(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827781606 600959782 /nfs/dbraw/zinc/95/97/82/600959782.db2.gz XGKMIZRIFCTQHA-QGZVFWFLSA-N -1 0 344.323 2.225 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000828804437 601268046 /nfs/dbraw/zinc/26/80/46/601268046.db2.gz MLPWMHRVFUXSIL-UHFFFAOYSA-N -1 0 344.389 2.048 20 5 EEBDRM CCCCC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)[O-] ZINC000829326091 601644811 /nfs/dbraw/zinc/64/48/11/601644811.db2.gz CWZLHIBZPGWNHE-SNVBAGLBSA-N -1 0 338.316 2.087 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCCO[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000833196729 601680410 /nfs/dbraw/zinc/68/04/10/601680410.db2.gz CTLJKFWVUNKYCT-LQPUYASZSA-N -1 0 336.344 2.300 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000832476544 601755420 /nfs/dbraw/zinc/75/54/20/601755420.db2.gz QLHNDAGKVWPSMQ-AWEZNQCLSA-N -1 0 336.344 2.367 20 5 EEBDRM COc1ccc(NC(=O)CNc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000832393961 601803231 /nfs/dbraw/zinc/80/32/31/601803231.db2.gz LLKZQEDETJEGIZ-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000833295865 604279099 /nfs/dbraw/zinc/27/90/99/604279099.db2.gz HXADSMMTVLKLIU-DYVFJYSZSA-N -1 0 348.355 2.060 20 5 EEBDRM CC[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833643368 605148086 /nfs/dbraw/zinc/14/80/86/605148086.db2.gz UOGNSNKPDACSFK-VIFPVBQESA-N -1 0 345.149 2.259 20 5 EEBDRM O=C([O-])CCSCCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000833774663 605294583 /nfs/dbraw/zinc/29/45/83/605294583.db2.gz ACCOBPQLYHKQHS-UHFFFAOYSA-N -1 0 348.327 2.011 20 5 EEBDRM Cc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000833753582 605387452 /nfs/dbraw/zinc/38/74/52/605387452.db2.gz RYSWMMIGOLEBBD-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM CC(C)c1ccc(CN2CC(n3cc(C(=O)[O-])nn3)C2)cc1[N+](=O)[O-] ZINC000833510212 605556973 /nfs/dbraw/zinc/55/69/73/605556973.db2.gz ONTIBQKAIPAQQM-UHFFFAOYSA-N -1 0 345.359 2.065 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cs1 ZINC000120102620 674612784 /nfs/dbraw/zinc/61/27/84/674612784.db2.gz KOLPFDKHONGHBA-UHFFFAOYSA-N -1 0 329.315 2.365 20 5 EEBDRM O=C([O-])CSc1ccc(I)cc1[N+](=O)[O-] ZINC000085101244 678249723 /nfs/dbraw/zinc/24/97/23/678249723.db2.gz MEWWZMFZDRVZLJ-UHFFFAOYSA-N -1 0 339.110 2.376 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cnc(C)s2)cc1[N+](=O)[O-] ZINC000443474296 683763340 /nfs/dbraw/zinc/76/33/40/683763340.db2.gz HMOIRYBJPXUHAB-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000263511498 690031729 /nfs/dbraw/zinc/03/17/29/690031729.db2.gz CKTDXNYRNJZRCY-INIZCTEOSA-N -1 0 338.360 2.328 20 5 EEBDRM COC(=O)c1n[nH]cc1[N-]c1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001158633498 1199755272 /nfs/dbraw/zinc/75/52/72/1199755272.db2.gz VPYRSZHYSQFPHT-UHFFFAOYSA-N -1 0 344.740 2.013 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2ncn(C)c2Cl)c(F)ccc1[N+](=O)[O-] ZINC000800051465 1202202098 /nfs/dbraw/zinc/20/20/98/1202202098.db2.gz LVMLGDASSIIUBF-UHFFFAOYSA-N -1 0 348.743 2.230 20 5 EEBDRM O=C(C[C@H]1C=CCCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000778638588 1208311616 /nfs/dbraw/zinc/31/16/16/1208311616.db2.gz CIRMKDPEVYWNPK-VIFPVBQESA-N -1 0 330.387 2.208 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000194191514 1211121202 /nfs/dbraw/zinc/12/12/02/1211121202.db2.gz WLPKEZWQXDTPGT-UHFFFAOYSA-N -1 0 348.315 2.478 20 5 EEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000119966916 1229639062 /nfs/dbraw/zinc/63/90/62/1229639062.db2.gz DGJBOYCHSFOHGK-UHFFFAOYSA-N -1 0 340.744 2.367 20 5 EEBDRM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-])OC1CCCCC1 ZINC000801554195 1235828302 /nfs/dbraw/zinc/82/83/02/1235828302.db2.gz WMWUTOBLFOGADR-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC2(CC2)C1 ZINC000850794614 1277343761 /nfs/dbraw/zinc/34/37/61/1277343761.db2.gz OCRDJGJHYUZTIP-UHFFFAOYSA-N -1 0 344.776 2.243 20 5 EEBDRM COC(=O)CCS(=O)(=O)[N-]c1cccc2nc3ccccc3nc12 ZINC001188388491 1279857991 /nfs/dbraw/zinc/85/79/91/1279857991.db2.gz JIXUKUXMPZNIDA-UHFFFAOYSA-N -1 0 345.380 2.088 20 5 EEBDRM CSc1nc(O[C@H]2CC(F)(F)C2(F)F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227628824 1301916492 /nfs/dbraw/zinc/91/64/92/1301916492.db2.gz RGCLGACLHMGKMB-VKHMYHEASA-N -1 0 329.231 2.234 20 5 EEBDRM CSc1nc(O[C@@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227629325 1301916771 /nfs/dbraw/zinc/91/67/71/1301916771.db2.gz VGICOHRTNSYSHU-MRVPVSSYSA-N -1 0 337.361 2.231 20 5 EEBDRM CCOC(=O)N1CCC[C@@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])C1 ZINC001228969893 1302549930 /nfs/dbraw/zinc/54/99/30/1302549930.db2.gz DUKCJEVTXYFNDK-SNVBAGLBSA-N -1 0 326.305 2.006 20 5 EEBDRM CCC[C@@](C)(NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000780456393 1303668366 /nfs/dbraw/zinc/66/83/66/1303668366.db2.gz CEDWJBQAARQBIN-OAHLLOKOSA-N -1 0 339.348 2.046 20 5 EEBDRM CCOCC(COCC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231224808 1303690443 /nfs/dbraw/zinc/69/04/43/1303690443.db2.gz RCGIDRAAPJWZLV-UHFFFAOYSA-N -1 0 330.293 2.029 20 5 EEBDRM COc1cccc(-c2noc(C([O-])=Cc3ccccc3[N+](=O)[O-])n2)n1 ZINC001248979228 1310979177 /nfs/dbraw/zinc/97/91/77/1310979177.db2.gz UJAGGOORQFVLBV-UHFFFAOYSA-N -1 0 340.295 2.474 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)CCC(C)C)cccc1[N+](=O)[O-] ZINC000842406191 1315698360 /nfs/dbraw/zinc/69/83/60/1315698360.db2.gz RHHSVDVFHAOWLH-UHFFFAOYSA-N -1 0 328.390 2.285 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001594901848 1349878649 /nfs/dbraw/zinc/87/86/49/1349878649.db2.gz KIRGYXXROVTMMU-RNCFNFMXSA-N -1 0 326.374 2.302 20 5 EEBDRM O=C([O-])c1cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2s1 ZINC001601383105 1350271014 /nfs/dbraw/zinc/27/10/14/1350271014.db2.gz GQOLOWVNHJBTKO-UHFFFAOYSA-N -1 0 346.324 2.343 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001602391983 1350509572 /nfs/dbraw/zinc/50/95/72/1350509572.db2.gz VDBHNCUQDCTAHY-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM O=C([O-])C1=CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001608587305 1351721132 /nfs/dbraw/zinc/72/11/32/1351721132.db2.gz QYDZSEVRJRFWLE-ZDUSSCGKSA-N -1 0 345.355 2.442 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NC[C@@H](O)c2ccccn2)c([N+](=O)[O-])c1 ZINC001608661118 1351736827 /nfs/dbraw/zinc/73/68/27/1351736827.db2.gz MXEZKMNFEWLIMB-ZQMJAJRESA-N -1 0 329.312 2.233 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC001608836864 1351775307 /nfs/dbraw/zinc/77/53/07/1351775307.db2.gz WKPIKJFORCXYQH-NHYWBVRUSA-N -1 0 348.355 2.228 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2n[nH]cc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001608855422 1351779672 /nfs/dbraw/zinc/77/96/72/1351779672.db2.gz NCEXJZDYNJQLFF-UHFFFAOYSA-N -1 0 344.205 2.287 20 5 EEBDRM O=C([O-])c1cnc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC001608968722 1351804038 /nfs/dbraw/zinc/80/40/38/1351804038.db2.gz AXCWRMWKLDEPAP-SNVBAGLBSA-N -1 0 347.352 2.379 20 5 EEBDRM Cc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC001322161802 1333220483 /nfs/dbraw/zinc/22/04/83/1333220483.db2.gz KQNXQUJIQZPUHA-JTQLQIEISA-N -1 0 338.341 2.105 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCc1oncc1C(=O)[O-] ZINC001609549014 1352012905 /nfs/dbraw/zinc/01/29/05/1352012905.db2.gz AOYRVEQPMVGZIF-RMKNXTFCSA-N -1 0 332.268 2.428 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2C[C@H](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001609770735 1352081175 /nfs/dbraw/zinc/08/11/75/1352081175.db2.gz CORGPPQPTHSDKB-USZNOCQGSA-N -1 0 349.387 2.278 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)CSc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001609901391 1352115195 /nfs/dbraw/zinc/11/51/95/1352115195.db2.gz NNPDRWHSPCIMSC-RNCFNFMXSA-N -1 0 326.374 2.302 20 5 EEBDRM CC[C@H](OC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O)C(=O)[O-] ZINC001609936310 1352124160 /nfs/dbraw/zinc/12/41/60/1352124160.db2.gz IXMBFXGMMSOAAE-NSHDSACASA-N -1 0 344.707 2.227 20 5 EEBDRM C[C@@H]1CSCCN1c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C ZINC001350952721 1337776031 /nfs/dbraw/zinc/77/60/31/1337776031.db2.gz WBEDXLBCAGCLAA-SECBINFHSA-N -1 0 335.389 2.038 20 5 EEBDRM COC(=O)[C@H](CC(C)C)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610190317 1352181746 /nfs/dbraw/zinc/18/17/46/1352181746.db2.gz KMYXZLIYVZDUTG-AWEZNQCLSA-N -1 0 338.360 2.313 20 5 EEBDRM Cc1[nH]c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC001610399034 1352216322 /nfs/dbraw/zinc/21/63/22/1352216322.db2.gz LZPKYNALHKJXHE-UHFFFAOYSA-N -1 0 331.328 2.210 20 5 EEBDRM Cc1c(NC(=O)NCc2cccc(F)n2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610423258 1352220239 /nfs/dbraw/zinc/22/02/39/1352220239.db2.gz FGTVNTCWGFRSMH-UHFFFAOYSA-N -1 0 348.290 2.457 20 5 EEBDRM O=C([O-])C[C@@H]1COCCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001610765204 1352270725 /nfs/dbraw/zinc/27/07/25/1352270725.db2.gz MBPBZBRQSOVKOH-CYBMUJFWSA-N -1 0 343.339 2.337 20 5 EEBDRM O=C([O-])c1cnc(Nc2cccc(N3CCC3=O)c2)c([N+](=O)[O-])c1 ZINC001610862522 1352287119 /nfs/dbraw/zinc/28/71/19/1352287119.db2.gz FBDXJMIDIANMEV-UHFFFAOYSA-N -1 0 328.284 2.168 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](CO)c2ccc(F)cc2)n1 ZINC001610841448 1352283629 /nfs/dbraw/zinc/28/36/29/1352283629.db2.gz FIEHOTPOJXSZIW-SNVBAGLBSA-N -1 0 335.291 2.015 20 5 EEBDRM O=C([O-])C1(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001610878152 1352289447 /nfs/dbraw/zinc/28/94/47/1352289447.db2.gz GBBKWPQLPYXABE-UHFFFAOYSA-N -1 0 344.117 2.379 20 5 EEBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC001589604957 1349009231 /nfs/dbraw/zinc/00/92/31/1349009231.db2.gz NQDLDJXUXSWNNT-MRXNPFEDSA-N -1 0 335.360 2.354 20 5 EEBDRM O=C(CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])OC1CCCCC1 ZINC001592874844 1349720861 /nfs/dbraw/zinc/72/08/61/1349720861.db2.gz UFISVFFNGJDLNA-UHFFFAOYSA-N -1 0 346.347 2.063 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001594218090 1349875018 /nfs/dbraw/zinc/87/50/18/1349875018.db2.gz PLRYIQQCOYOYQI-HZGVNTEJSA-N -1 0 330.699 2.465 20 5 EEBDRM Cc1cc(C(=O)COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)[nH]1 ZINC001600077437 1349966775 /nfs/dbraw/zinc/96/67/75/1349966775.db2.gz QFOAVJMZSBONSQ-UHFFFAOYSA-N -1 0 346.295 2.278 20 5 EEBDRM Cc1cc(Cl)c(C(=O)Nc2cc(C(=O)[O-])no2)cc1[N+](=O)[O-] ZINC001600216706 1349995158 /nfs/dbraw/zinc/99/51/58/1349995158.db2.gz HDYKFYVJJMBGDJ-UHFFFAOYSA-N -1 0 325.664 2.495 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(C(=O)[O-])c(F)c3)n2)n1C ZINC001600716806 1350120185 /nfs/dbraw/zinc/12/01/85/1350120185.db2.gz BNRIMQPMBPKVBU-UHFFFAOYSA-N -1 0 347.262 2.191 20 5 EEBDRM Cc1nc(N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ncc1[N+](=O)[O-] ZINC001600717212 1350120612 /nfs/dbraw/zinc/12/06/12/1350120612.db2.gz BPXYEYODYDIYAF-CYBMUJFWSA-N -1 0 341.327 2.282 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001600720466 1350120732 /nfs/dbraw/zinc/12/07/32/1350120732.db2.gz QFXCQNBUVZYIFZ-JTQLQIEISA-N -1 0 346.343 2.317 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)OCc1ccccc1CC(=O)[O-] ZINC001601218057 1350234117 /nfs/dbraw/zinc/23/41/17/1350234117.db2.gz VMIMHWSMPAMSED-UHFFFAOYSA-N -1 0 330.296 2.161 20 5 EEBDRM O=C([O-])c1cc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccn1 ZINC001601239720 1350239091 /nfs/dbraw/zinc/23/90/91/1350239091.db2.gz CMOISLUPKKCGQL-ZZXKWVIFSA-N -1 0 327.296 2.018 20 5 EEBDRM O=C([O-])[C@H](CC1CC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001601407901 1350277220 /nfs/dbraw/zinc/27/72/20/1350277220.db2.gz UNRDMMHZCGOMMO-VIFPVBQESA-N -1 0 330.699 2.370 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC001601577819 1350311011 /nfs/dbraw/zinc/31/10/11/1350311011.db2.gz DGWAIWCPCVLKIG-YWCPYISXSA-N -1 0 343.339 2.305 20 5 EEBDRM O=C([O-])[C@H](C[C@H]1CCCOC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001601641818 1350326400 /nfs/dbraw/zinc/32/64/00/1350326400.db2.gz LWTQUARTAKBLSH-KCJUWKMLSA-N -1 0 329.740 2.325 20 5 EEBDRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001601641621 1350326492 /nfs/dbraw/zinc/32/64/92/1350326492.db2.gz JURREYULZZSOJG-GWCFXTLKSA-N -1 0 349.343 2.096 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001601719470 1350347261 /nfs/dbraw/zinc/34/72/61/1350347261.db2.gz KZBLAQOPCMGMFN-ZDUSSCGKSA-N -1 0 340.698 2.194 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@H]1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC001601810627 1350369790 /nfs/dbraw/zinc/36/97/90/1350369790.db2.gz VLWAVEJKTHFSPY-AAEUAGOBSA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001601950337 1350404513 /nfs/dbraw/zinc/40/45/13/1350404513.db2.gz CMQCDJAQMCOENS-QMMMGPOBSA-N -1 0 344.270 2.276 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCc2nccn2C(F)F)cc([N+](=O)[O-])c1 ZINC001602249994 1350476334 /nfs/dbraw/zinc/47/63/34/1350476334.db2.gz DRUZUUPDAWSEOG-UHFFFAOYSA-N -1 0 341.226 2.242 20 5 EEBDRM O=C([O-])c1cc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC001602250630 1350477099 /nfs/dbraw/zinc/47/70/99/1350477099.db2.gz WZGGRMYUWMWDLI-UHFFFAOYSA-N -1 0 345.311 2.301 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@](O)(C3CC3)C2)cc1Cl ZINC001602298674 1350487712 /nfs/dbraw/zinc/48/77/12/1350487712.db2.gz DFFNDQUFSLAHMI-CQSZACIVSA-N -1 0 326.736 2.298 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)o1 ZINC001602315782 1350492139 /nfs/dbraw/zinc/49/21/39/1350492139.db2.gz CWWGESZOGXAYPZ-UHFFFAOYSA-N -1 0 342.263 2.084 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H](O)COc2ccccc2)c([N+](=O)[O-])c1 ZINC001602390168 1350509114 /nfs/dbraw/zinc/50/91/14/1350509114.db2.gz VMMUNHBXDXVHJJ-LBPRGKRZSA-N -1 0 333.296 2.112 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC001602403225 1350511408 /nfs/dbraw/zinc/51/14/08/1350511408.db2.gz BTCWIRPUZBPAMU-NWDGAFQWSA-N -1 0 348.277 2.181 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2c3nc[nH]c3ccc2F)n1 ZINC001602405855 1350511924 /nfs/dbraw/zinc/51/19/24/1350511924.db2.gz RNWXASDPMNGNHW-UHFFFAOYSA-N -1 0 331.263 2.316 20 5 EEBDRM O=C([O-])c1ccnc(NCc2cc(C(F)(F)F)on2)c1[N+](=O)[O-] ZINC001602483829 1350529672 /nfs/dbraw/zinc/52/96/72/1350529672.db2.gz GJSUKFKVYYGKAZ-UHFFFAOYSA-N -1 0 332.194 2.307 20 5 EEBDRM O=C([O-])C1(C(=O)COC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC001602611469 1350556925 /nfs/dbraw/zinc/55/69/25/1350556925.db2.gz QHQOYBIXIQQHEA-UHFFFAOYSA-N -1 0 343.291 2.339 20 5 EEBDRM CC(=O)N1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC001603021254 1350622966 /nfs/dbraw/zinc/62/29/66/1350622966.db2.gz YQCJNNMOTVKIIF-LBPRGKRZSA-N -1 0 335.360 2.272 20 5 EEBDRM CC(C)c1sc(NC(=O)c2ccc([N+](=O)[O-])n2C)nc1C(=O)[O-] ZINC001604031668 1350834930 /nfs/dbraw/zinc/83/49/30/1350834930.db2.gz OOYSTGOBMUDYDL-UHFFFAOYSA-N -1 0 338.345 2.464 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001604635695 1350974019 /nfs/dbraw/zinc/97/40/19/1350974019.db2.gz CSFNCOVAWAQPKW-CBAPKCEASA-N -1 0 336.735 2.491 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)Cn1cc([N+](=O)[O-])nc1Br ZINC001604987662 1351046844 /nfs/dbraw/zinc/04/68/44/1351046844.db2.gz ZFMPBQNCJRCEBE-UHFFFAOYSA-N -1 0 348.153 2.014 20 5 EEBDRM CCCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](C)C(=O)[O-] ZINC001605297868 1351128917 /nfs/dbraw/zinc/12/89/17/1351128917.db2.gz KQGAZMMANXZUFZ-JTQLQIEISA-N -1 0 333.344 2.330 20 5 EEBDRM CCN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC001605395954 1351152831 /nfs/dbraw/zinc/15/28/31/1351152831.db2.gz LMFRDKUITFEIDC-UHFFFAOYSA-N -1 0 326.324 2.378 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1[N+](=O)[O-] ZINC001605774718 1351222042 /nfs/dbraw/zinc/22/20/42/1351222042.db2.gz BRXITQNGQAPJAW-UHFFFAOYSA-N -1 0 336.279 2.278 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001605905192 1351251309 /nfs/dbraw/zinc/25/13/09/1351251309.db2.gz QJAMRSFTALWZPD-UHFFFAOYSA-N -1 0 346.343 2.217 20 5 EEBDRM CN(CCN1CCCC1=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001606127172 1351276000 /nfs/dbraw/zinc/27/60/00/1351276000.db2.gz KEMZIUITVCFZGA-UHFFFAOYSA-N -1 0 341.751 2.005 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001607410808 1351490474 /nfs/dbraw/zinc/49/04/74/1351490474.db2.gz ORUYHUGCFCGPCL-UHFFFAOYSA-N -1 0 336.329 2.001 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001607621280 1351526884 /nfs/dbraw/zinc/52/68/84/1351526884.db2.gz RPVWYWNKFAHUSI-SNVBAGLBSA-N -1 0 337.328 2.437 20 5 EEBDRM Cc1cc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2N)oc1C(=O)[O-] ZINC001607652440 1351533894 /nfs/dbraw/zinc/53/38/94/1351533894.db2.gz ZVYHSJNVGIDUFQ-UHFFFAOYSA-N -1 0 338.247 2.273 20 5 EEBDRM O=C([O-])c1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC001608364043 1351679627 /nfs/dbraw/zinc/67/96/27/1351679627.db2.gz USRPPUSMVQTXIY-UHFFFAOYSA-N -1 0 349.730 2.200 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)NCCc1cccc([N+](=O)[O-])c1)CC2 ZINC001608451685 1351697753 /nfs/dbraw/zinc/69/77/53/1351697753.db2.gz GSRXOJCIAPINHW-PBHICJAKSA-N -1 0 347.371 2.176 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000851624784 1367191639 /nfs/dbraw/zinc/19/16/39/1367191639.db2.gz MVNPITKCFQFSHG-CZUORRHYSA-N -1 0 335.360 2.034 20 5 EEBDRM O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780352060 760756916 /nfs/dbraw/zinc/75/69/16/760756916.db2.gz ZSSLUVDGYUQGCX-CQSZACIVSA-N -1 0 336.731 2.417 20 5 EEBDRM O=C([O-])c1ccccc1OS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918187291 768969131 /nfs/dbraw/zinc/96/91/31/768969131.db2.gz CHYZPJUEYVIPCS-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000178485774 770514617 /nfs/dbraw/zinc/51/46/17/770514617.db2.gz FXIXOVZTRGPHIV-UHFFFAOYSA-N -1 0 331.284 2.481 20 5 EEBDRM Nc1c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc(F)cc1[N+](=O)[O-] ZINC000238061367 774624981 /nfs/dbraw/zinc/62/49/81/774624981.db2.gz XYFXVBYINJAGQB-SECBINFHSA-N -1 0 339.323 2.033 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846715104 790453740 /nfs/dbraw/zinc/45/37/40/790453740.db2.gz NCXMJEYSZTUQJZ-JTQLQIEISA-N -1 0 332.715 2.251 20 5 EEBDRM CCCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CC1CC1 ZINC000888099303 777742235 /nfs/dbraw/zinc/74/22/35/777742235.db2.gz GHCIWXAXXLNVTK-UHFFFAOYSA-N -1 0 341.389 2.022 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000844218411 788907275 /nfs/dbraw/zinc/90/72/75/788907275.db2.gz NKVVLRFRYSREQQ-INIZCTEOSA-N -1 0 336.344 2.115 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)C[C@](C)(O)c2ccccc2)n1 ZINC000844210256 788929729 /nfs/dbraw/zinc/92/97/29/788929729.db2.gz SOVRZAFMGVRMTC-KRWDZBQOSA-N -1 0 345.355 2.340 20 5 EEBDRM C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000151525470 792716772 /nfs/dbraw/zinc/71/67/72/792716772.db2.gz RVCJNTYSFHXXOU-YPMHNXCESA-N -1 0 340.401 2.367 20 5 EEBDRM C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000151525544 792718334 /nfs/dbraw/zinc/71/83/34/792718334.db2.gz RVCJNTYSFHXXOU-AAEUAGOBSA-N -1 0 340.401 2.367 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000261924487 794807911 /nfs/dbraw/zinc/80/79/11/794807911.db2.gz SAVSUGSMNDHMPG-LLVKDONJSA-N -1 0 336.344 2.320 20 5 EEBDRM O=C([O-])c1ccc(Nc2cccc3c2OCC(=O)N3)cc1[N+](=O)[O-] ZINC001174504767 797784971 /nfs/dbraw/zinc/78/49/71/797784971.db2.gz IVYMIATUDXQPGO-UHFFFAOYSA-N -1 0 329.268 2.368 20 5 EEBDRM CCOC(=O)c1cnc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001176675453 798523552 /nfs/dbraw/zinc/52/35/52/798523552.db2.gz XYOCXQGLBPEBGY-UHFFFAOYSA-N -1 0 332.272 2.003 20 5 EEBDRM COc1nc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c(OC)n1 ZINC001176678611 798526077 /nfs/dbraw/zinc/52/60/77/798526077.db2.gz VOHJCQDFVWMFIC-UHFFFAOYSA-N -1 0 334.288 2.152 20 5 EEBDRM CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1O ZINC000808188861 812503369 /nfs/dbraw/zinc/50/33/69/812503369.db2.gz FEOXLFDKEWSMMI-UHFFFAOYSA-N -1 0 333.275 2.477 20 5 EEBDRM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000808337367 812604466 /nfs/dbraw/zinc/60/44/66/812604466.db2.gz HIFQMKOOEBMEBQ-ISVAXAHUSA-N -1 0 340.382 2.457 20 5 EEBDRM Cc1cc(OCC(=O)NCc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000019815183 948788106 /nfs/dbraw/zinc/78/81/06/948788106.db2.gz UOEWHUQWJKTZQR-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001594988152 951032393 /nfs/dbraw/zinc/03/23/93/951032393.db2.gz VHJABHBOGRBAJM-GLQYFDAESA-N -1 0 332.356 2.412 20 5 EEBDRM CC(C)[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001602978554 971995599 /nfs/dbraw/zinc/99/55/99/971995599.db2.gz YFKNSUZSPMJTGX-LBPRGKRZSA-N -1 0 326.324 2.140 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)Oc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC001589484058 954990151 /nfs/dbraw/zinc/99/01/51/954990151.db2.gz RFMOPCJUKRAJIO-UHFFFAOYSA-N -1 0 339.300 2.178 20 5 EEBDRM CC[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001589552409 955226447 /nfs/dbraw/zinc/22/64/47/955226447.db2.gz RUXYRXPRJJNGMQ-SMDDNHRTSA-N -1 0 332.360 2.118 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001594719997 956967253 /nfs/dbraw/zinc/96/72/53/956967253.db2.gz ZEVFBWUDMBRWDN-LLVKDONJSA-N -1 0 349.730 2.069 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC001574770676 957757037 /nfs/dbraw/zinc/75/70/37/957757037.db2.gz PPWUAVWJLPADJU-YHUYYLMFSA-N -1 0 344.367 2.268 20 5 EEBDRM CC(C)[C@@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001573493148 959033162 /nfs/dbraw/zinc/03/31/62/959033162.db2.gz YGEVZMHDAAQXDR-SNVBAGLBSA-N -1 0 326.374 2.160 20 5 EEBDRM CC(C)(C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)[O-] ZINC001588647008 959744266 /nfs/dbraw/zinc/74/42/66/959744266.db2.gz APGMRKVZNXAYJM-NSHDSACASA-N -1 0 341.339 2.325 20 5 EEBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001588653910 960406125 /nfs/dbraw/zinc/40/61/25/960406125.db2.gz GLRNTHTVPSSZPX-UHFFFAOYSA-N -1 0 330.287 2.446 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccn1 ZINC001574521401 961857072 /nfs/dbraw/zinc/85/70/72/961857072.db2.gz JLWMFJVVSVRVLV-UHFFFAOYSA-N -1 0 330.300 2.129 20 5 EEBDRM C[C@@H](C(=O)[O-])C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001609701271 970471763 /nfs/dbraw/zinc/47/17/63/970471763.db2.gz XKKDLVBKNKXTOV-ANLVUFKYSA-N -1 0 338.213 2.174 20 5 EEBDRM C[C@@H](C(=O)[O-])C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001609701273 970472240 /nfs/dbraw/zinc/47/22/40/970472240.db2.gz XKKDLVBKNKXTOV-MLUIRONXSA-N -1 0 338.213 2.174 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001609871062 970562637 /nfs/dbraw/zinc/56/26/37/970562637.db2.gz JTDHQCQQBATZLM-WCQYABFASA-N -1 0 335.360 2.347 20 5 EEBDRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001605839465 972573414 /nfs/dbraw/zinc/57/34/14/972573414.db2.gz BFUNDIIAHAVLTO-XWEPSHTISA-N -1 0 332.234 2.207 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001603389029 972999679 /nfs/dbraw/zinc/99/96/79/972999679.db2.gz VYZHXCXNZHWTNI-ZJUUUORDSA-N -1 0 331.328 2.401 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1C(=O)[O-] ZINC001603426188 973155668 /nfs/dbraw/zinc/15/56/68/973155668.db2.gz BYZYKPCIBAPNPE-WCBMZHEXSA-N -1 0 326.736 2.431 20 5 EEBDRM O=C([O-])c1c[nH]nc1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001605687306 974101583 /nfs/dbraw/zinc/10/15/83/974101583.db2.gz LSGAFBNKLXAVRG-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@H](CC2CC2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591751322 975804748 /nfs/dbraw/zinc/80/47/48/975804748.db2.gz PKKWQUXRBROIBX-GFCCVEGCSA-N -1 0 336.344 2.365 20 5 EEBDRM C[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1[N+](=O)[O-] ZINC001592673445 979082036 /nfs/dbraw/zinc/08/20/36/979082036.db2.gz XPUIBRVVVFSGBJ-JTQLQIEISA-N -1 0 347.327 2.489 20 5 EEBDRM O=C([O-])C1(CNc2nc3ccc([N+](=O)[O-])cc3s2)CCOCC1 ZINC000843036359 979330181 /nfs/dbraw/zinc/33/01/81/979330181.db2.gz JLOJLGPAKFDLAJ-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[O-] ZINC001592847703 979627084 /nfs/dbraw/zinc/62/70/84/979627084.db2.gz HTFGANRJFNCUBK-HNNXBMFYSA-N -1 0 336.275 2.143 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@@H]2C[C@H]2C2CCOCC2)cc([N+](=O)[O-])c1 ZINC000864217434 979906058 /nfs/dbraw/zinc/90/60/58/979906058.db2.gz WVZNDVOZTRPLGG-ZFWWWQNUSA-N -1 0 348.355 2.086 20 5 EEBDRM C[C@](NC(=O)Cc1ccccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593044148 980331527 /nfs/dbraw/zinc/33/15/27/980331527.db2.gz MXLLSEJEBCYBEV-QGZVFWFLSA-N -1 0 346.314 2.393 20 5 EEBDRM CCC[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OCC ZINC001595594165 981560052 /nfs/dbraw/zinc/56/00/52/981560052.db2.gz MUGHQNMUMOZHFB-VIFPVBQESA-N -1 0 325.321 2.079 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001594975475 982750511 /nfs/dbraw/zinc/75/05/11/982750511.db2.gz KFOXNFJNXVRXRI-QMMMGPOBSA-N -1 0 339.304 2.137 20 5 EEBDRM CCN(C(=O)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC001596145837 983502340 /nfs/dbraw/zinc/50/23/40/983502340.db2.gz XGCKSXRGTZQCLQ-UHFFFAOYSA-N -1 0 344.327 2.153 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001589002316 984947210 /nfs/dbraw/zinc/94/72/10/984947210.db2.gz PJJFUFRCDBVQGI-SLZMIMFISA-N -1 0 341.323 2.335 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)[O-] ZINC001589031587 985069836 /nfs/dbraw/zinc/06/98/36/985069836.db2.gz TYRWOBZJROGNKP-NSHDSACASA-N -1 0 338.363 2.474 20 5 EEBDRM CC(=O)c1cc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n(C)c1 ZINC001589268453 985954133 /nfs/dbraw/zinc/95/41/33/985954133.db2.gz RDXUZLGLNLSDDL-UHFFFAOYSA-N -1 0 332.268 2.053 20 5 EEBDRM C[C@H]1CSCCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594613098 986616779 /nfs/dbraw/zinc/61/67/79/986616779.db2.gz DIRSAAGSGRAPOR-MRVPVSSYSA-N -1 0 341.345 2.391 20 5 EEBDRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1F ZINC001589414528 986634305 /nfs/dbraw/zinc/63/43/05/986634305.db2.gz IUBHTLOATKPRQC-VIFPVBQESA-N -1 0 347.302 2.247 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(C(=O)[O-])no1 ZINC001597142767 986891198 /nfs/dbraw/zinc/89/11/98/986891198.db2.gz KDPAHDJOVVVREB-UHFFFAOYSA-N -1 0 336.256 2.037 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001597250243 987234946 /nfs/dbraw/zinc/23/49/46/987234946.db2.gz POBVSJIWCLMPIR-ODVCRQGFSA-N -1 0 341.389 2.180 20 5 EEBDRM C[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC001599868556 989311366 /nfs/dbraw/zinc/31/13/66/989311366.db2.gz AYPMBHQOYLDHRQ-XCBNKYQSSA-N -1 0 345.149 2.036 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)n1 ZINC001597899906 989772903 /nfs/dbraw/zinc/77/29/03/989772903.db2.gz VCNFVROQTJVGPF-UHFFFAOYSA-N -1 0 337.263 2.006 20 5 EEBDRM CC(C)(CCC(=O)N(CCC(=O)[O-])c1cccc(F)c1)[N+](=O)[O-] ZINC001590656599 990355716 /nfs/dbraw/zinc/35/57/16/990355716.db2.gz XDWFKKZOKAVSHL-UHFFFAOYSA-N -1 0 326.324 2.469 20 5 EEBDRM CC(C)(CS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC001590812552 990647322 /nfs/dbraw/zinc/64/73/22/990647322.db2.gz ZYEWJSYPSGCKGM-UHFFFAOYSA-N -1 0 337.737 2.068 20 5 EEBDRM CC(C)N(CCOCCO)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001591595239 992816825 /nfs/dbraw/zinc/81/68/25/992816825.db2.gz FIYMHCMZHPLKNQ-UHFFFAOYSA-N -1 0 346.767 2.170 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C(=O)[O-])C1CC1 ZINC001593619825 995864530 /nfs/dbraw/zinc/86/45/30/995864530.db2.gz QCCLAWUWRCNLPN-KRTXAFLBSA-N -1 0 343.719 2.422 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC001593779256 996488938 /nfs/dbraw/zinc/48/89/38/996488938.db2.gz WXIAJYLKILEQAK-MRXNPFEDSA-N -1 0 333.344 2.171 20 5 EEBDRM CC1(C)C(=O)N[C@@H]1C1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001593822315 996560259 /nfs/dbraw/zinc/56/02/59/996560259.db2.gz FFRZQISCYKIUSJ-CQSZACIVSA-N -1 0 347.371 2.034 20 5 EEBDRM CC1(CS(=O)(=O)Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCC1 ZINC001594038545 997641057 /nfs/dbraw/zinc/64/10/57/997641057.db2.gz CEYVXNOFRMWVTR-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM COc1c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC001599328216 997702558 /nfs/dbraw/zinc/70/25/58/997702558.db2.gz FVLMOCGUZFLMPF-GMXVVIOVSA-N -1 0 348.355 2.319 20 5 EEBDRM C[C@@H]1[C@@H](C)[S@@](=O)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001594179941 998697963 /nfs/dbraw/zinc/69/79/63/998697963.db2.gz TVISJSFRBUIZIF-PVJNZWLOSA-N -1 0 346.792 2.292 20 5 EEBDRM C[C@@H]1C[C@]2(CC[C@H](CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])O2)CO1 ZINC001594286900 999110161 /nfs/dbraw/zinc/11/01/61/999110161.db2.gz VSWXOGQGKWTGPM-NSODJVPESA-N -1 0 336.344 2.432 20 5 EEBDRM C[C@@H]1C[C@]2(CC[C@@H](CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])O2)CO1 ZINC001594286903 999110162 /nfs/dbraw/zinc/11/01/62/999110162.db2.gz VSWXOGQGKWTGPM-RSAASHCRSA-N -1 0 336.344 2.432 20 5 EEBDRM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000173439830 304004360 /nfs/dbraw/zinc/00/43/60/304004360.db2.gz IBSUWVPHXGLPCA-UHFFFAOYSA-N -1 0 327.296 2.437 20 5 EEBDRM Cc1nnc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000191775212 239291676 /nfs/dbraw/zinc/29/16/76/239291676.db2.gz NBFLQVZYLHHDLW-UHFFFAOYSA-N -1 0 328.375 2.172 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c([N+](=O)[O-])c1 ZINC000023391012 212374165 /nfs/dbraw/zinc/37/41/65/212374165.db2.gz HXSBJMSBDGMNJE-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM CC(C)(CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000236706222 242328237 /nfs/dbraw/zinc/32/82/37/242328237.db2.gz AAMVBGOHWVVHAJ-UHFFFAOYSA-N -1 0 345.149 2.198 20 5 EEBDRM Cn1nc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000185022994 255936775 /nfs/dbraw/zinc/93/67/75/255936775.db2.gz PFJKXLNQACEYBV-UHFFFAOYSA-N -1 0 340.339 2.160 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N(C)C)cn1 ZINC000116602415 152057498 /nfs/dbraw/zinc/05/74/98/152057498.db2.gz RWPDJIRQCNIYPK-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM COc1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000263071299 152368417 /nfs/dbraw/zinc/36/84/17/152368417.db2.gz GSTKZCPQABFSCU-VHSXEESVSA-N -1 0 337.332 2.178 20 5 EEBDRM O=C([O-])[C@@H](CC(F)F)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263067358 152369008 /nfs/dbraw/zinc/36/90/08/152369008.db2.gz RCQVXPMIZNTPGJ-SNVBAGLBSA-N -1 0 343.286 2.007 20 5 EEBDRM O=C([O-])CN(Cc1ccccc1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000347351799 161445295 /nfs/dbraw/zinc/44/52/95/161445295.db2.gz SGQXKQBPTJUGDL-UHFFFAOYSA-N -1 0 344.323 2.087 20 5 EEBDRM Cc1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc(C(=O)[O-])c1C ZINC000362637286 164747112 /nfs/dbraw/zinc/74/71/12/164747112.db2.gz XVVGJIXUONNHLN-UHFFFAOYSA-N -1 0 346.343 2.480 20 5 EEBDRM C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272114309 268909140 /nfs/dbraw/zinc/90/91/40/268909140.db2.gz PDECCYQBMKBMAM-WPRPVWTQSA-N -1 0 344.751 2.476 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccccc2[C@@H]1CO ZINC000185632373 274021583 /nfs/dbraw/zinc/02/15/83/274021583.db2.gz WMIHSCHREPBEAE-HNNXBMFYSA-N -1 0 328.324 2.032 20 5 EEBDRM CC[C@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285051375 274671146 /nfs/dbraw/zinc/67/11/46/274671146.db2.gz CVOOURLJOSGOLP-SSDOTTSWSA-N -1 0 340.760 2.091 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000288678598 275080498 /nfs/dbraw/zinc/08/04/98/275080498.db2.gz UDXYWAIJUIVCHC-MRVPVSSYSA-N -1 0 326.296 2.008 20 5 EEBDRM Cn1ccc2c(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cccc2c1=O ZINC000337573447 302956402 /nfs/dbraw/zinc/95/64/02/302956402.db2.gz FTHQANXSQAXPAE-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)C=C([O-])c2ccc3c(c2)CCO3)cc1 ZINC000357071576 303635554 /nfs/dbraw/zinc/63/55/54/303635554.db2.gz FNFCKBNPZRSUPN-UHFFFAOYSA-N -1 0 347.348 2.186 20 5 EEBDRM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000242302133 303921056 /nfs/dbraw/zinc/92/10/56/303921056.db2.gz YPUKSBKRLZGTRF-NILFDRSVSA-N -1 0 332.356 2.378 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000344960626 304806516 /nfs/dbraw/zinc/80/65/16/304806516.db2.gz DVAQMBBGNMVIOJ-UHFFFAOYSA-N -1 0 342.270 2.353 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000326089711 311603226 /nfs/dbraw/zinc/60/32/26/311603226.db2.gz SBFFAVNPOZXDHC-BYKZYZOMSA-N -1 0 330.340 2.320 20 5 EEBDRM O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436917306 315012484 /nfs/dbraw/zinc/01/24/84/315012484.db2.gz CXHJRTCCEVQZGL-UHFFFAOYSA-N -1 0 325.280 2.394 20 5 EEBDRM COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1O ZINC000436973058 315018739 /nfs/dbraw/zinc/01/87/39/315018739.db2.gz QPVSSWWIVRRKPG-UHFFFAOYSA-N -1 0 332.312 2.287 20 5 EEBDRM CC(C)c1ncc(CN(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000442960292 315222412 /nfs/dbraw/zinc/22/24/12/315222412.db2.gz CDILXOLFLLUXEX-UHFFFAOYSA-N -1 0 330.344 2.486 20 5 EEBDRM CNC(=O)Oc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000495635389 316031215 /nfs/dbraw/zinc/03/12/15/316031215.db2.gz FNUPNOVMHPXJQI-UHFFFAOYSA-N -1 0 331.284 2.271 20 5 EEBDRM COCC1(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CCOCC1 ZINC000516185067 316541673 /nfs/dbraw/zinc/54/16/73/316541673.db2.gz PZJFHQKTZJARHR-UHFFFAOYSA-N -1 0 338.360 2.457 20 5 EEBDRM CCc1ccc(S(=O)(=O)N(CC(=O)[O-])[C@H](C)CC)cc1[N+](=O)[O-] ZINC000516567515 316570987 /nfs/dbraw/zinc/57/09/87/316570987.db2.gz KFWWMTUROCVCIL-SNVBAGLBSA-N -1 0 344.389 2.031 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000539688383 318059003 /nfs/dbraw/zinc/05/90/03/318059003.db2.gz NWDPUWJNEUXOAI-UHFFFAOYSA-N -1 0 345.355 2.441 20 5 EEBDRM O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000544507575 318188654 /nfs/dbraw/zinc/18/86/54/318188654.db2.gz ZZDBJAFVVMVUCF-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CC[C@@H]1C[C@H](C)CN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000545558652 318222827 /nfs/dbraw/zinc/22/28/27/318222827.db2.gz VVJUZXKCJRZTGD-GXSJLCMTSA-N -1 0 342.373 2.102 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-] ZINC000547897005 318332779 /nfs/dbraw/zinc/33/27/79/318332779.db2.gz OTVQODYFIVLTDD-SNVBAGLBSA-N -1 0 344.389 2.029 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000563517429 319018116 /nfs/dbraw/zinc/01/81/16/319018116.db2.gz NDXPNSKHHVJHRW-LLVKDONJSA-N -1 0 347.371 2.178 20 5 EEBDRM O=C([O-])c1cnc(N[C@@H]2CCO[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000566291430 319270034 /nfs/dbraw/zinc/27/00/34/319270034.db2.gz RAEMLWPQKWVLNO-OCCSQVGLSA-N -1 0 344.327 2.415 20 5 EEBDRM CC(C)CC[C@@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567052816 319343929 /nfs/dbraw/zinc/34/39/29/319343929.db2.gz KCFQUKHZZCLZPD-SNVBAGLBSA-N -1 0 344.389 2.396 20 5 EEBDRM O=C([O-])C1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000568095002 319453711 /nfs/dbraw/zinc/45/37/11/319453711.db2.gz UZQBUYGQOVPSAE-UHFFFAOYSA-N -1 0 348.355 2.220 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncon1 ZINC000571685964 319778105 /nfs/dbraw/zinc/77/81/05/319778105.db2.gz TYIIOILTDRFLIA-JTQLQIEISA-N -1 0 340.723 2.464 20 5 EEBDRM O=C([O-])c1cnc(NCCN2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000576402288 320168939 /nfs/dbraw/zinc/16/89/39/320168939.db2.gz BEJCCDDVOODFSO-UHFFFAOYSA-N -1 0 348.384 2.220 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(C(=O)[O-])cn3)CC2)c1 ZINC000576521631 320179501 /nfs/dbraw/zinc/17/95/01/320179501.db2.gz YSIZTNXFXPTMAU-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM O=C([O-])C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCO1 ZINC000576709532 320197434 /nfs/dbraw/zinc/19/74/34/320197434.db2.gz UZPFGOBWDIHFPD-LLVKDONJSA-N -1 0 348.277 2.289 20 5 EEBDRM COCCO[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000577377544 320252334 /nfs/dbraw/zinc/25/23/34/320252334.db2.gz NIZOMVRZBUTVNV-CYBMUJFWSA-N -1 0 338.360 2.233 20 5 EEBDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000336891971 465083833 /nfs/dbraw/zinc/08/38/33/465083833.db2.gz QTKFKJQSESVWSS-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c(F)c1 ZINC000354681418 465092030 /nfs/dbraw/zinc/09/20/30/465092030.db2.gz UNBHODFBFFSAAU-UHFFFAOYSA-N -1 0 342.270 2.497 20 5 EEBDRM CN(Cc1nccn1C(F)F)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356370454 465342011 /nfs/dbraw/zinc/34/20/11/465342011.db2.gz WIHINXFEHDUMTQ-UHFFFAOYSA-N -1 0 326.259 2.164 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000154374204 462760515 /nfs/dbraw/zinc/76/05/15/462760515.db2.gz QTCAYKXERDYGKA-BYCMXARLSA-N -1 0 348.355 2.351 20 5 EEBDRM Cc1nccn1-c1ncccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000131764219 462826605 /nfs/dbraw/zinc/82/66/05/462826605.db2.gz QLJPOJMNHVDYLA-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM COC(=O)CN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093287498 463023534 /nfs/dbraw/zinc/02/35/34/463023534.db2.gz YOMZZHGPUMWOOR-UHFFFAOYSA-N -1 0 330.340 2.476 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000103059967 463394764 /nfs/dbraw/zinc/39/47/64/463394764.db2.gz TUFIWHMTDODDRZ-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000149809081 463409711 /nfs/dbraw/zinc/40/97/11/463409711.db2.gz SWBZUULWRKHEFF-HNNXBMFYSA-N -1 0 328.324 2.329 20 5 EEBDRM CCc1cccc(NC(=O)CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356508636 465425071 /nfs/dbraw/zinc/42/50/71/465425071.db2.gz FOIXWXMRGIZQFK-UHFFFAOYSA-N -1 0 343.339 2.231 20 5 EEBDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C ZINC000170994455 463756230 /nfs/dbraw/zinc/75/62/30/463756230.db2.gz OLTHTPQQOQFTQJ-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261783279 463858800 /nfs/dbraw/zinc/85/88/00/463858800.db2.gz YEHZDPSZQODRKH-CFVMTHIKSA-N -1 0 332.356 2.382 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc(C)cc(C)n1 ZINC000185716695 463867404 /nfs/dbraw/zinc/86/74/04/463867404.db2.gz IVBJKQKBAZOELF-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261968927 463913861 /nfs/dbraw/zinc/91/38/61/463913861.db2.gz YRFTZBDZRRGCPC-UHFFFAOYSA-N -1 0 335.360 2.080 20 5 EEBDRM O=C([O-])CCCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261973665 463914952 /nfs/dbraw/zinc/91/49/52/463914952.db2.gz FBIIKHFJLDPUQM-UHFFFAOYSA-N -1 0 347.327 2.223 20 5 EEBDRM CCO[C@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C12CCC2 ZINC000262345249 464006969 /nfs/dbraw/zinc/00/69/69/464006969.db2.gz AHSQFNVAKKZSFG-KGLIPLIRSA-N -1 0 348.355 2.371 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000262551170 464033226 /nfs/dbraw/zinc/03/32/26/464033226.db2.gz SKRLSVHDSROBAP-SCZZXKLOSA-N -1 0 326.736 2.431 20 5 EEBDRM COCC1(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000284017187 464070789 /nfs/dbraw/zinc/07/07/89/464070789.db2.gz QGBRLCXQVQZONH-UHFFFAOYSA-N -1 0 334.781 2.096 20 5 EEBDRM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179492260 464145443 /nfs/dbraw/zinc/14/54/43/464145443.db2.gz DBHPECBQHYPCBL-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](O)Cc1ccccc1 ZINC000179547696 464155048 /nfs/dbraw/zinc/15/50/48/464155048.db2.gz ORYKFPKCMYATBX-MEDUHNTESA-N -1 0 330.340 2.022 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000174770580 464449396 /nfs/dbraw/zinc/44/93/96/464449396.db2.gz HTDIJNJZJKJHRJ-UHFFFAOYSA-N -1 0 336.373 2.311 20 5 EEBDRM O=C([O-])c1cc(NC[C@@H](O)COc2ccccc2)ccc1[N+](=O)[O-] ZINC000579751020 468405272 /nfs/dbraw/zinc/40/52/72/468405272.db2.gz DZEACRNFCXQLBF-GFCCVEGCSA-N -1 0 332.312 2.145 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000245757135 464512085 /nfs/dbraw/zinc/51/20/85/464512085.db2.gz VBPWLRQGIVMMIE-YHBNFXLMSA-N -1 0 340.401 2.110 20 5 EEBDRM O=C(Nc1cnn(Cc2ccccn2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181951191 464541088 /nfs/dbraw/zinc/54/10/88/464541088.db2.gz LXUDICOGOQOJEP-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CC(C)(C)c1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000272375154 464583178 /nfs/dbraw/zinc/58/31/78/464583178.db2.gz HWXJPSWXYNCUCH-UHFFFAOYSA-N -1 0 336.373 2.379 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000190823563 464726483 /nfs/dbraw/zinc/72/64/83/464726483.db2.gz KBOIEXYMFYNEFJ-SDBXPKJASA-N -1 0 328.752 2.406 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)c2c(Cl)cccc2[N+](=O)[O-])s[n-]1 ZINC000338024500 465757612 /nfs/dbraw/zinc/75/76/12/465757612.db2.gz OBSCJKBVDCRVRF-ZCFIWIBFSA-N -1 0 342.764 2.481 20 5 EEBDRM CC(C)C[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC(=O)N1 ZINC000361664048 466187849 /nfs/dbraw/zinc/18/78/49/466187849.db2.gz ZGQPPNWPXJJYKB-ZYHUDNBSSA-N -1 0 335.360 2.180 20 5 EEBDRM COC[C@@](C)(NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000340684974 466262662 /nfs/dbraw/zinc/26/26/62/466262662.db2.gz UNISZSSAVHLGEN-MRXNPFEDSA-N -1 0 334.328 2.434 20 5 EEBDRM CCO[C@H](CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(C)C ZINC000569366862 468481757 /nfs/dbraw/zinc/48/17/57/468481757.db2.gz NYXAAJBGYLWFSJ-GFCCVEGCSA-N -1 0 325.365 2.860 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(O)c1 ZINC000323009018 466636290 /nfs/dbraw/zinc/63/62/90/466636290.db2.gz FTFCGJHKRFRVEP-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C(N[C@@H]1CCc2ccccc2OC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000374875702 466757817 /nfs/dbraw/zinc/75/78/17/466757817.db2.gz LWKOTXYHJVXYFL-CYBMUJFWSA-N -1 0 328.324 2.424 20 5 EEBDRM COC(=O)c1cc(OC)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436634683 467548249 /nfs/dbraw/zinc/54/82/49/467548249.db2.gz HVRPYDZGGLDDIT-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM O=C(/C=C\C1CCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000493373522 467897698 /nfs/dbraw/zinc/89/76/98/467897698.db2.gz UWQYRAFGFFRCTM-YVMONPNESA-N -1 0 342.348 2.285 20 5 EEBDRM CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000514670039 467946972 /nfs/dbraw/zinc/94/69/72/467946972.db2.gz JZRUJNJXWCPGQH-GFCCVEGCSA-N -1 0 342.373 2.150 20 5 EEBDRM CC[C@@]1(C)CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000516648486 468039783 /nfs/dbraw/zinc/03/97/83/468039783.db2.gz YKDZBGHWYKLHNK-AWEZNQCLSA-N -1 0 342.373 2.104 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NCCC2(C)CC2)cc1[N+](=O)[O-] ZINC000519535558 468168596 /nfs/dbraw/zinc/16/85/96/468168596.db2.gz BPPDCSMORDTXNJ-UHFFFAOYSA-N -1 0 342.373 2.070 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCO[C@@H]2CCCC[C@@H]2C)n1 ZINC000577955345 468194453 /nfs/dbraw/zinc/19/44/53/468194453.db2.gz PAURIKJYHQEPGQ-GXFFZTMASA-N -1 0 337.376 3.004 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@H](CO)Cc2ccccc21 ZINC000590406265 468247712 /nfs/dbraw/zinc/24/77/12/468247712.db2.gz KVEKZTIWFSZCSS-LLVKDONJSA-N -1 0 328.324 2.112 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000590420846 468251067 /nfs/dbraw/zinc/25/10/67/468251067.db2.gz GRLOLZFGSXIEIK-UHFFFAOYSA-N -1 0 328.284 2.109 20 5 EEBDRM C[C@]1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])COc2ccccc2O1 ZINC000600679057 468618499 /nfs/dbraw/zinc/61/84/99/468618499.db2.gz XJXBKSRVDRHCRJ-INIZCTEOSA-N -1 0 345.311 2.330 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000592138916 468633925 /nfs/dbraw/zinc/63/39/25/468633925.db2.gz QKXQAENDAYVGHJ-VIFPVBQESA-N -1 0 342.373 2.068 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000557796127 468653867 /nfs/dbraw/zinc/65/38/67/468653867.db2.gz NDAIZIUHXDPDNE-HNNXBMFYSA-N -1 0 349.387 2.470 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c[nH]nc1C1CC1 ZINC000594729740 468666006 /nfs/dbraw/zinc/66/60/06/468666006.db2.gz WAWIZZBATFDTDZ-UHFFFAOYSA-N -1 0 338.345 2.005 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC3(CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000600882535 468674785 /nfs/dbraw/zinc/67/47/85/468674785.db2.gz SSZLQYQCPXEGOB-UHFFFAOYSA-N -1 0 348.355 2.326 20 5 EEBDRM COC(=O)C12CC(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])(C1)C2 ZINC000592783126 468785014 /nfs/dbraw/zinc/78/50/14/468785014.db2.gz JQNRFHXOCXYOSU-UHFFFAOYSA-N -1 0 340.719 2.236 20 5 EEBDRM CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595248287 468792817 /nfs/dbraw/zinc/79/28/17/468792817.db2.gz XKHYJVIWFZQIJA-JGZJWPJOSA-N -1 0 326.736 2.112 20 5 EEBDRM O=C([O-])Cc1ccc(NC2CCN(CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000592970907 468831225 /nfs/dbraw/zinc/83/12/25/468831225.db2.gz PLMJBKCJWQDJRW-UHFFFAOYSA-N -1 0 343.330 2.363 20 5 EEBDRM C[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000572034515 468876118 /nfs/dbraw/zinc/87/61/18/468876118.db2.gz VXIMJTMPHJTZKK-MGCOHNPYSA-N -1 0 342.373 2.150 20 5 EEBDRM CCC(CC)(NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC000598734335 468978755 /nfs/dbraw/zinc/97/87/55/468978755.db2.gz KRURJCQUURUVQM-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])C1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCCC1 ZINC000595985710 469106510 /nfs/dbraw/zinc/10/65/10/469106510.db2.gz LAFGQOKXJZUKIG-UHFFFAOYSA-N -1 0 346.343 2.835 20 5 EEBDRM C[C@@]1(c2ccccc2)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000563203876 469197453 /nfs/dbraw/zinc/19/74/53/469197453.db2.gz FLWFUFKGQXCSJM-KRWDZBQOSA-N -1 0 343.339 2.440 20 5 EEBDRM CO[C@@H]1C[C@H](C(=O)[O-])N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000563283542 469220880 /nfs/dbraw/zinc/22/08/80/469220880.db2.gz PBTCYQZWMBQDBO-ZIAGYGMSSA-N -1 0 338.360 2.056 20 5 EEBDRM Cc1ccc(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598584452 485618799 /nfs/dbraw/zinc/61/87/99/485618799.db2.gz MIARFJYXWLTVDL-LLVKDONJSA-N -1 0 344.389 2.084 20 5 EEBDRM CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182081859 490692265 /nfs/dbraw/zinc/69/22/65/490692265.db2.gz SIHVEWMUEFWAGP-DEOSSOPVSA-N -1 0 348.380 2.310 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC000129943811 534320584 /nfs/dbraw/zinc/32/05/84/534320584.db2.gz HGZFJHHNOXBUQF-UHFFFAOYSA-N -1 0 349.265 2.150 20 5 EEBDRM CCCC(=O)NC[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130470840 527935651 /nfs/dbraw/zinc/93/56/51/527935651.db2.gz DVNIUPLIWKRXTG-GFCCVEGCSA-N -1 0 349.387 2.069 20 5 EEBDRM CCCC[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000184962020 528847807 /nfs/dbraw/zinc/84/78/07/528847807.db2.gz KJWPUSPZRIKTGI-CQSZACIVSA-N -1 0 346.343 2.154 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000263130136 535427496 /nfs/dbraw/zinc/42/74/96/535427496.db2.gz LMAXODWROJRPQI-UHFFFAOYSA-N -1 0 336.344 2.367 20 5 EEBDRM O=C([O-])c1coc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000740258099 576415479 /nfs/dbraw/zinc/41/54/79/576415479.db2.gz LQELQTLPBIHMRJ-UHFFFAOYSA-N -1 0 337.215 2.065 20 5 EEBDRM Cc1nn2cc(CCCOC(=O)c3ccc([N+](=O)[O-])[n-]3)cnc2c1C ZINC000729201278 576611150 /nfs/dbraw/zinc/61/11/50/576611150.db2.gz XGKYEEZRJODHQN-UHFFFAOYSA-N -1 0 343.343 2.372 20 5 EEBDRM Cc1nn(CCC(=O)Oc2ccc(C)cc2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738641946 577047009 /nfs/dbraw/zinc/04/70/09/577047009.db2.gz WJAPIWLZAJFWME-UHFFFAOYSA-N -1 0 347.327 2.410 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000733059746 577201387 /nfs/dbraw/zinc/20/13/87/577201387.db2.gz BAVJONWCNGXCGL-UHFFFAOYSA-N -1 0 328.390 2.399 20 5 EEBDRM Cc1nccn1-c1ncccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000772235650 577258325 /nfs/dbraw/zinc/25/83/25/577258325.db2.gz PEJJUVMOVRPFNQ-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H](C)C(C)(C)C ZINC000734709703 577322336 /nfs/dbraw/zinc/32/23/36/577322336.db2.gz WOXJOPKPYSUIEH-JTQLQIEISA-N -1 0 328.390 2.390 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000776533631 577461523 /nfs/dbraw/zinc/46/15/23/577461523.db2.gz OCCNEODNZCFFLL-DGCLKSJQSA-N -1 0 340.401 2.020 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000765014208 577492870 /nfs/dbraw/zinc/49/28/70/577492870.db2.gz WYDLELOENKIFLM-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM O=C([O-])N1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000739346509 578049375 /nfs/dbraw/zinc/04/93/75/578049375.db2.gz PJBKGAVGLATJPW-JTQLQIEISA-N -1 0 341.751 2.049 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@H]2COc3ccccc32)cc([N+](=O)[O-])c1 ZINC000740081074 578080133 /nfs/dbraw/zinc/08/01/33/578080133.db2.gz KSVDCTAYLDWYIY-ZDUSSCGKSA-N -1 0 328.280 2.408 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCOc1cccnc1 ZINC000740094786 578080631 /nfs/dbraw/zinc/08/06/31/578080631.db2.gz GZHBRRPBHIVACO-UHFFFAOYSA-N -1 0 348.271 2.087 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000736854131 578227010 /nfs/dbraw/zinc/22/70/10/578227010.db2.gz XIQMMZUZZHZDLQ-ZDUSSCGKSA-N -1 0 331.328 2.443 20 5 EEBDRM CCNc1ccc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000737128950 578239772 /nfs/dbraw/zinc/23/97/72/578239772.db2.gz GBNKCBPDGZTRIL-JTQLQIEISA-N -1 0 335.360 2.352 20 5 EEBDRM CNc1ccc(C(=O)Oc2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000737563975 578264138 /nfs/dbraw/zinc/26/41/38/578264138.db2.gz VJCZGDKDJCUMHN-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM O=C([O-])[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000821511642 598129526 /nfs/dbraw/zinc/12/95/26/598129526.db2.gz OCGQWNGFCIAXNX-VIFPVBQESA-N -1 0 329.150 2.264 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(F)c1 ZINC000821547021 598209962 /nfs/dbraw/zinc/20/99/62/598209962.db2.gz CNQSGUUOKZDLFL-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000820053275 598214480 /nfs/dbraw/zinc/21/44/80/598214480.db2.gz NMPDCLMASVHABW-JTQLQIEISA-N -1 0 332.259 2.035 20 5 EEBDRM CC(C)(CO)CCCNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826611983 600814898 /nfs/dbraw/zinc/81/48/98/600814898.db2.gz WRXUJQPLBIUQID-UHFFFAOYSA-N -1 0 341.320 2.412 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccccn1 ZINC000833126806 600917596 /nfs/dbraw/zinc/91/75/96/600917596.db2.gz UOGATLGVBVWHFF-AWEZNQCLSA-N -1 0 340.295 2.027 20 5 EEBDRM CC(=O)c1csc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000825967697 600969881 /nfs/dbraw/zinc/96/98/81/600969881.db2.gz YYTDPTJGZHFQIW-UHFFFAOYSA-N -1 0 335.297 2.204 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000830363300 601404918 /nfs/dbraw/zinc/40/49/18/601404918.db2.gz RFYVTPWNRBOVOV-UHFFFAOYSA-N -1 0 344.279 2.245 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000833157804 601406997 /nfs/dbraw/zinc/40/69/97/601406997.db2.gz UCKVZAWNPGYVBE-GFCCVEGCSA-N -1 0 331.687 2.279 20 5 EEBDRM Cc1nc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)sc1C(=O)[O-] ZINC000833002364 601436420 /nfs/dbraw/zinc/43/64/20/601436420.db2.gz VTCWTULJGZTKQK-UHFFFAOYSA-N -1 0 347.312 2.187 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CC1 ZINC000833199127 601537583 /nfs/dbraw/zinc/53/75/83/601537583.db2.gz PYEZVZFWBDJDTF-AWEZNQCLSA-N -1 0 347.371 2.178 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCC1 ZINC000833134724 601708412 /nfs/dbraw/zinc/70/84/12/601708412.db2.gz CKUITRPOHORHRQ-UHFFFAOYSA-N -1 0 331.328 2.451 20 5 EEBDRM O=C([O-])c1sccc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000110954452 601809322 /nfs/dbraw/zinc/80/93/22/601809322.db2.gz SRNXMFZIRNBHDS-UHFFFAOYSA-N -1 0 332.135 2.362 20 5 EEBDRM Cc1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)c(N)c([N+](=O)[O-])c1 ZINC000832860720 601814379 /nfs/dbraw/zinc/81/43/79/601814379.db2.gz LOCRCOLGESTOGF-UHFFFAOYSA-N -1 0 335.360 2.202 20 5 EEBDRM CCOC(=O)c1ccnc(NCc2cccc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000820373795 601931997 /nfs/dbraw/zinc/93/19/97/601931997.db2.gz HQRRYHPOGGDZIP-UHFFFAOYSA-N -1 0 345.311 2.477 20 5 EEBDRM CC[C@]1(C)CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829050907 602151992 /nfs/dbraw/zinc/15/19/92/602151992.db2.gz XIBWTDQKDHIVCH-PIGZYNQJSA-N -1 0 349.387 2.424 20 5 EEBDRM Cc1cc(NCc2ccc(C(N)=O)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897034 602312116 /nfs/dbraw/zinc/31/21/16/602312116.db2.gz JQQRDVOVTXACJW-UHFFFAOYSA-N -1 0 329.312 2.312 20 5 EEBDRM Cc1cc(NCCCNc2ncccn2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897096 602313993 /nfs/dbraw/zinc/31/39/93/602313993.db2.gz LJQDJQPQQQSZCQ-UHFFFAOYSA-N -1 0 331.332 2.306 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000832482085 604288429 /nfs/dbraw/zinc/28/84/29/604288429.db2.gz XPDQPWWYSGBBQX-UHFFFAOYSA-N -1 0 347.327 2.177 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000827021982 604399128 /nfs/dbraw/zinc/39/91/28/604399128.db2.gz OHODAPNUFMCDNR-GFCCVEGCSA-N -1 0 337.332 2.046 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)NC2(C(=O)[O-])CCCCCC2)c1[N+](=O)[O-] ZINC000827097648 604835612 /nfs/dbraw/zinc/83/56/12/604835612.db2.gz VWZWZYQXBOTDQG-UHFFFAOYSA-N -1 0 338.364 2.349 20 5 EEBDRM CC(=O)N1CC[C@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)[C@H](C)C1 ZINC000833393235 605062188 /nfs/dbraw/zinc/06/21/88/605062188.db2.gz HYAPLFCDDCZDQJ-YGRLFVJLSA-N -1 0 335.360 2.270 20 5 EEBDRM CC(C)(C)C[C@H](OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)[O-] ZINC000833429826 605234071 /nfs/dbraw/zinc/23/40/71/605234071.db2.gz PKRMXXYNPHABQT-NSHDSACASA-N -1 0 339.300 2.370 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)oc1C ZINC000120640461 675285169 /nfs/dbraw/zinc/28/51/69/675285169.db2.gz FZHPESPARYHBEZ-UHFFFAOYSA-N -1 0 342.304 2.062 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)n1 ZINC000160666880 676396264 /nfs/dbraw/zinc/39/62/64/676396264.db2.gz HNTJMNJPJRKSBL-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM O=C(N[C@@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436662200 694444829 /nfs/dbraw/zinc/44/48/29/694444829.db2.gz ILCKAEBFQGLGCB-GFCCVEGCSA-N -1 0 328.324 2.424 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC2(C)C)cc([N+](=O)[O-])c1C ZINC000125879537 1199583192 /nfs/dbraw/zinc/58/31/92/1199583192.db2.gz HLQAPJGPCSZYAE-LLVKDONJSA-N -1 0 326.374 2.063 20 5 EEBDRM CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000126616124 1199986397 /nfs/dbraw/zinc/98/63/97/1199986397.db2.gz NFSSMDQZBTZBRW-SSDOTTSWSA-N -1 0 332.765 2.099 20 5 EEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000866284332 1201484177 /nfs/dbraw/zinc/48/41/77/1201484177.db2.gz ANQVXSVADMQNPG-GFCCVEGCSA-N -1 0 335.257 2.381 20 5 EEBDRM O=C(CSc1n[n-]c(=S)s1)NCc1cccc([N+](=O)[O-])c1 ZINC000081596016 1211244543 /nfs/dbraw/zinc/24/45/43/1211244543.db2.gz KCONRSABPSTDSA-UHFFFAOYSA-N -1 0 342.427 2.144 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000195443505 1211418081 /nfs/dbraw/zinc/41/80/81/1211418081.db2.gz SWBHJEANQBATMX-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM Cc1cccnc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000083955098 1211514324 /nfs/dbraw/zinc/51/43/24/1211514324.db2.gz DEYCHLPKGWYJIO-UHFFFAOYSA-N -1 0 341.776 2.483 20 5 EEBDRM O=C1CCOc2cc(-c3noc(-c4nc[n-]c4[N+](=O)[O-])n3)ccc21 ZINC001212893281 1214379451 /nfs/dbraw/zinc/37/94/51/1214379451.db2.gz VOERYMWGVSUGJQ-UHFFFAOYSA-N -1 0 327.256 2.000 20 5 EEBDRM COCc1cnc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000795601691 1214391779 /nfs/dbraw/zinc/39/17/79/1214391779.db2.gz YYNHROYGOCLAMU-UHFFFAOYSA-N -1 0 347.349 2.138 20 5 EEBDRM C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885547 1277380401 /nfs/dbraw/zinc/38/04/01/1277380401.db2.gz HRUXNNCYBWRJLL-NXEZZACHSA-N -1 0 344.364 2.365 20 5 EEBDRM O=S(=O)([N-]c1cc2cccnc2c2ncccc12)c1ncc[nH]1 ZINC001190728145 1281036064 /nfs/dbraw/zinc/03/60/64/1281036064.db2.gz DUXDJNFJBAFEAS-UHFFFAOYSA-N -1 0 325.353 2.307 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccsc2)ccc1[N+](=O)[O-] ZINC000115925231 1294038642 /nfs/dbraw/zinc/03/86/42/1294038642.db2.gz FVUFTIYBRNPCCP-UHFFFAOYSA-N -1 0 326.355 2.083 20 5 EEBDRM O=C1C[C@H](Oc2cc([O-])ccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC001225491585 1301023330 /nfs/dbraw/zinc/02/33/30/1301023330.db2.gz RHANWQDFKNRMKY-HNNXBMFYSA-N -1 0 342.307 2.007 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1[nH]c(=O)ncc1C(F)(F)F ZINC001225577993 1301071135 /nfs/dbraw/zinc/07/11/35/1301071135.db2.gz AJULPDQAGDPAKA-ZCFIWIBFSA-N -1 0 347.253 2.082 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CCC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC001226022059 1301235484 /nfs/dbraw/zinc/23/54/84/1301235484.db2.gz XBHONJBYVGJRFU-IVZWLZJFSA-N -1 0 339.348 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H]2C[C@@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC001226648983 1301493854 /nfs/dbraw/zinc/49/38/54/1301493854.db2.gz HKXNOPQDVUDPHS-BDAKNGLRSA-N -1 0 339.348 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC001226650685 1301494757 /nfs/dbraw/zinc/49/47/57/1301494757.db2.gz BBLNDGGEDMPPPJ-VIFPVBQESA-N -1 0 333.300 2.325 20 5 EEBDRM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1nc3ncnc-3c(S)[n-]1)C2 ZINC001226779996 1301552536 /nfs/dbraw/zinc/55/25/36/1301552536.db2.gz BVMJCHSKJANYLO-SNVBAGLBSA-N -1 0 329.341 2.096 20 5 EEBDRM CCC[C@H](CC(=O)OCC)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-] ZINC001227625019 1301914019 /nfs/dbraw/zinc/91/40/19/1301914019.db2.gz MMBHZBZFHGYUFH-MRVPVSSYSA-N -1 0 345.377 2.313 20 5 EEBDRM CCOC(=O)[C@@H]1CCC[C@H]1Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228602985 1302331792 /nfs/dbraw/zinc/33/17/92/1302331792.db2.gz HTLKNHDZODNKRX-NXEZZACHSA-N -1 0 337.332 2.078 20 5 EEBDRM COc1ccccc1CO[N-]C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000799096451 1305155240 /nfs/dbraw/zinc/15/52/40/1305155240.db2.gz RHXINLDZOHLEHG-UHFFFAOYSA-N -1 0 331.328 2.263 20 5 EEBDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835261897 1314907982 /nfs/dbraw/zinc/90/79/82/1314907982.db2.gz CNNOHIZJBJYNRB-UHFFFAOYSA-N -1 0 348.808 2.289 20 5 EEBDRM COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(C(N)=O)c(OC)c1 ZINC001210397456 1325265275 /nfs/dbraw/zinc/26/52/75/1325265275.db2.gz ASYOJJVEAKYZLS-UHFFFAOYSA-N -1 0 333.300 2.160 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1 ZINC001608508319 1351706542 /nfs/dbraw/zinc/70/65/42/1351706542.db2.gz CCBQQJGLAUDEGP-UHFFFAOYSA-N -1 0 336.281 2.336 20 5 EEBDRM O=C([O-])C1(C(=O)COc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001608563290 1351716882 /nfs/dbraw/zinc/71/68/82/1351716882.db2.gz WKPZYAXGAXALSW-UHFFFAOYSA-N -1 0 344.117 2.170 20 5 EEBDRM Cc1sc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001608074866 1351619659 /nfs/dbraw/zinc/61/96/59/1351619659.db2.gz ZAXAVCWRYWWILR-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])CC1CC(Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001608693184 1351743035 /nfs/dbraw/zinc/74/30/35/1351743035.db2.gz XJGBJDSMBNMYRW-UHFFFAOYSA-N -1 0 346.299 2.138 20 5 EEBDRM O=C([O-])Cc1ccccc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001608789196 1351764113 /nfs/dbraw/zinc/76/41/13/1351764113.db2.gz UJMHHIAUPQSRIU-UHFFFAOYSA-N -1 0 342.351 2.471 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)c2ccnc(C3CC3)n2)c1 ZINC001608914674 1351792947 /nfs/dbraw/zinc/79/29/47/1351792947.db2.gz DHDPMJAABMERJC-UHFFFAOYSA-N -1 0 343.295 2.317 20 5 EEBDRM O=C([O-])c1csc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC001608992570 1351810204 /nfs/dbraw/zinc/81/02/04/1351810204.db2.gz ABIDWTWSIWDEPL-UHFFFAOYSA-N -1 0 331.309 2.113 20 5 EEBDRM O=C([O-])c1nccnc1NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001609001180 1351811432 /nfs/dbraw/zinc/81/14/32/1351811432.db2.gz ITJLHOBZTDOUEM-UHFFFAOYSA-N -1 0 342.315 2.004 20 5 EEBDRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])c1 ZINC001320947193 1332984722 /nfs/dbraw/zinc/98/47/22/1332984722.db2.gz SBADRPNIFBKSML-UHFFFAOYSA-N -1 0 344.370 2.474 20 5 EEBDRM O=C([O-])C1CCC(OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC001609015756 1351815210 /nfs/dbraw/zinc/81/52/10/1351815210.db2.gz NFURMOCGSIPQPH-UHFFFAOYSA-N -1 0 337.284 2.124 20 5 EEBDRM CC(C)(C)n1cc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cn1 ZINC001324864550 1333776512 /nfs/dbraw/zinc/77/65/12/1333776512.db2.gz LZUNJGAJNZGMDB-UHFFFAOYSA-N -1 0 330.391 2.409 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])Cc1noc(CCCC(=O)[O-])n1 ZINC001327500037 1334302531 /nfs/dbraw/zinc/30/25/31/1334302531.db2.gz USGWUMIHTKLDIE-UHFFFAOYSA-N -1 0 348.359 2.060 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001327865097 1334356948 /nfs/dbraw/zinc/35/69/48/1334356948.db2.gz CPJRXPGGJVSRGA-MRVPVSSYSA-N -1 0 332.353 2.082 20 5 EEBDRM C[C@@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001609873691 1352108147 /nfs/dbraw/zinc/10/81/47/1352108147.db2.gz PBHVWZVPHWKMIX-NSHDSACASA-N -1 0 349.387 2.282 20 5 EEBDRM CN(C)c1ccc(COC(=O)c2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC001610105474 1352162731 /nfs/dbraw/zinc/16/27/31/1352162731.db2.gz QRDUYCUKJDONHQ-UHFFFAOYSA-N -1 0 334.284 2.309 20 5 EEBDRM CN(CCC(F)(F)F)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001610115059 1352165123 /nfs/dbraw/zinc/16/51/23/1352165123.db2.gz IBPNPJLHIROSNM-UHFFFAOYSA-N -1 0 336.266 2.442 20 5 EEBDRM CC(C)OCCO[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848590621 1338726275 /nfs/dbraw/zinc/72/62/75/1338726275.db2.gz NSXQJMGFIJLLLS-UHFFFAOYSA-N -1 0 334.275 2.039 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1ccccc1C(=O)[O-] ZINC001610649063 1352257590 /nfs/dbraw/zinc/25/75/90/1352257590.db2.gz LKBCIORMQDXLHX-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001610672726 1352259331 /nfs/dbraw/zinc/25/93/31/1352259331.db2.gz CSEYZFQUOZBYBV-RNCFNFMXSA-N -1 0 342.298 2.175 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCCNc2ncccn2)c([N+](=O)[O-])c1 ZINC001610750301 1352268794 /nfs/dbraw/zinc/26/87/94/1352268794.db2.gz CWOABTYLWJLZSO-GQCTYLIASA-N -1 0 343.343 2.397 20 5 EEBDRM CO[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C(=O)[O-])C1 ZINC001599121951 1349946229 /nfs/dbraw/zinc/94/62/29/1349946229.db2.gz YNOGZSAUEHMEDE-VXGBXAGGSA-N -1 0 348.311 2.045 20 5 EEBDRM Cc1cc(C)cc([C@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C(=O)[O-])c1 ZINC001600170063 1349984797 /nfs/dbraw/zinc/98/47/97/1349984797.db2.gz OUJZNGBNSIPNEN-HNNXBMFYSA-N -1 0 343.339 2.471 20 5 EEBDRM Cc1cc(N2CCC(c3cc(N)n[nH]3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600238972 1349999257 /nfs/dbraw/zinc/99/92/57/1349999257.db2.gz MZBJHPXHJLCHPV-UHFFFAOYSA-N -1 0 345.359 2.291 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-] ZINC001600354074 1350027801 /nfs/dbraw/zinc/02/78/01/1350027801.db2.gz JXSYHFKIRZVCLW-JTQLQIEISA-N -1 0 345.311 2.402 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@]2(C)C(=O)[O-])c1 ZINC001600487636 1350063243 /nfs/dbraw/zinc/06/32/43/1350063243.db2.gz IJIJVMXBXRXMRW-INIZCTEOSA-N -1 0 336.344 2.138 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001600488027 1350063605 /nfs/dbraw/zinc/06/36/05/1350063605.db2.gz GCJDAGVAALJSAJ-JTQLQIEISA-N -1 0 339.373 2.185 20 5 EEBDRM Cc1nc(N2CCOc3c(cccc3C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001600711391 1350119474 /nfs/dbraw/zinc/11/94/74/1350119474.db2.gz BZDIKCKGSMBXBT-UHFFFAOYSA-N -1 0 329.312 2.395 20 5 EEBDRM Cc1nnc([C@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001600792006 1350138453 /nfs/dbraw/zinc/13/84/53/1350138453.db2.gz DTSAQUZPCUWEJF-LURJTMIESA-N -1 0 337.313 2.371 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001601007598 1350188341 /nfs/dbraw/zinc/18/83/41/1350188341.db2.gz XJFREUCRNPQWKJ-RQJHMYQMSA-N -1 0 336.270 2.402 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC001601344451 1350262442 /nfs/dbraw/zinc/26/24/42/1350262442.db2.gz JWTZYNFECYNPFI-ZDUSSCGKSA-N -1 0 337.309 2.404 20 5 EEBDRM O=C([O-])Cc1ccc(NCc2nccn2C(F)F)c([N+](=O)[O-])c1 ZINC001602137788 1350447999 /nfs/dbraw/zinc/44/79/99/1350447999.db2.gz OQMWRJOZJKYIJH-UHFFFAOYSA-N -1 0 326.259 2.426 20 5 EEBDRM O=C([O-])[C@@H]1CC(F)(F)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001602171378 1350456842 /nfs/dbraw/zinc/45/68/42/1350456842.db2.gz BXJJIZOFIOHMGV-QMMMGPOBSA-N -1 0 338.213 2.495 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4ccccc43)C[C@@H]21 ZINC001602207049 1350465946 /nfs/dbraw/zinc/46/59/46/1350465946.db2.gz KMDNOPGABTXQIY-FICVDOATSA-N -1 0 326.308 2.151 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001602214741 1350467794 /nfs/dbraw/zinc/46/77/94/1350467794.db2.gz XIBOPTFGCUVWIR-TXEJJXNPSA-N -1 0 348.355 2.075 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@H]2[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001602244273 1350475101 /nfs/dbraw/zinc/47/51/01/1350475101.db2.gz ZPFXKHVJQPTHQL-LSDHHAIUSA-N -1 0 348.355 2.467 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2nc3ccccc3o2)cc([N+](=O)[O-])c1 ZINC001602247085 1350475752 /nfs/dbraw/zinc/47/57/52/1350475752.db2.gz JDNFVBPWASUJJQ-UHFFFAOYSA-N -1 0 341.279 2.364 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2ccc(Cl)c(F)c2)c1=O ZINC001602300652 1350488114 /nfs/dbraw/zinc/48/81/14/1350488114.db2.gz POTCEKLQOHXLBH-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]1 ZINC001602322551 1350493818 /nfs/dbraw/zinc/49/38/18/1350493818.db2.gz CWIZPHWPCKXMAE-UHFFFAOYSA-N -1 0 342.311 2.075 20 5 EEBDRM O=C([O-])c1ccc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nn1 ZINC001602381615 1350507856 /nfs/dbraw/zinc/50/78/56/1350507856.db2.gz DWHZZIOXQDFQLS-UHFFFAOYSA-N -1 0 327.300 2.219 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001602387652 1350508237 /nfs/dbraw/zinc/50/82/37/1350508237.db2.gz MMHKTXNUFAYIEL-UHFFFAOYSA-N -1 0 346.251 2.463 20 5 EEBDRM O=C([O-])c1cnc(NCc2cc(C(F)(F)F)on2)c([N+](=O)[O-])c1 ZINC001602533543 1350540953 /nfs/dbraw/zinc/54/09/53/1350540953.db2.gz JWCNJEYMEZLPLZ-UHFFFAOYSA-N -1 0 332.194 2.307 20 5 EEBDRM O=C([O-])c1nccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001602574686 1350549955 /nfs/dbraw/zinc/54/99/55/1350549955.db2.gz QOMUOSLLIBHOOC-UHFFFAOYSA-N -1 0 328.240 2.082 20 5 EEBDRM CC(=O)NCc1ccc(Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001603052055 1350628436 /nfs/dbraw/zinc/62/84/36/1350628436.db2.gz HRPPSGUSTMYAIP-UHFFFAOYSA-N -1 0 344.327 2.376 20 5 EEBDRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001604062378 1350843424 /nfs/dbraw/zinc/84/34/24/1350843424.db2.gz WIWNATXJVNEDTM-XCODYQFDSA-N -1 0 329.312 2.089 20 5 EEBDRM C[C@@H](CNC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC001604175808 1350883387 /nfs/dbraw/zinc/88/33/87/1350883387.db2.gz LKQHCVPJSDWGLR-NSHDSACASA-N -1 0 335.360 2.205 20 5 EEBDRM CN(C)c1cc(F)c(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC001606049624 1351266016 /nfs/dbraw/zinc/26/60/16/1351266016.db2.gz BVLRZMUGKGHMHQ-LBPRGKRZSA-N -1 0 341.339 2.029 20 5 EEBDRM COC[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC001606817987 1351360168 /nfs/dbraw/zinc/36/01/68/1351360168.db2.gz IDDBQYKQOHNJKC-HIINFBLBSA-N -1 0 336.344 2.299 20 5 EEBDRM O=[N+]([O-])c1cn(CC2CCC(C(F)(F)F)CC2)nc1-c1nnn[n-]1 ZINC001607085372 1351411761 /nfs/dbraw/zinc/41/17/61/1351411761.db2.gz QZVOLZUJMNJNEJ-UHFFFAOYSA-N -1 0 345.285 2.340 20 5 EEBDRM COc1cc(CSc2nc(C(=O)[O-])c[nH]2)c([N+](=O)[O-])cc1F ZINC001607165896 1351441836 /nfs/dbraw/zinc/44/18/36/1351441836.db2.gz SXWLLXFXIOQHSI-UHFFFAOYSA-N -1 0 327.293 2.456 20 5 EEBDRM COc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001607176666 1351443365 /nfs/dbraw/zinc/44/33/65/1351443365.db2.gz VMDCUJGOUBIIPX-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC001607222171 1351452493 /nfs/dbraw/zinc/45/24/93/1351452493.db2.gz GCYLFBYMZXOVPQ-ZDUSSCGKSA-N -1 0 338.360 2.163 20 5 EEBDRM COc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1[N+](=O)[O-] ZINC001607243842 1351457345 /nfs/dbraw/zinc/45/73/45/1351457345.db2.gz AZUFUTJSCFYKRT-UHFFFAOYSA-N -1 0 346.295 2.188 20 5 EEBDRM COc1cccc(C(=O)Oc2cccc(CC(=O)[O-])c2)c1[N+](=O)[O-] ZINC001607306824 1351469418 /nfs/dbraw/zinc/46/94/18/1351469418.db2.gz DCVPXODOPAZMNI-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM Cc1ccc(C(=O)[O-])c2c1N(Cc1cn(C)nc1[N+](=O)[O-])CCC2 ZINC001607737768 1351549155 /nfs/dbraw/zinc/54/91/55/1351549155.db2.gz QOCZJXNERYWGEN-UHFFFAOYSA-N -1 0 330.344 2.288 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1ccc(C(=O)[O-])o1 ZINC001607826476 1351566545 /nfs/dbraw/zinc/56/65/45/1351566545.db2.gz QNRWXUNNIVYOIS-UHFFFAOYSA-N -1 0 325.298 2.168 20 5 EEBDRM Nc1c(Cl)cc(C(=O)N2CCC(CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001608267817 1351659485 /nfs/dbraw/zinc/65/94/85/1351659485.db2.gz PQIJVOVEUBSFIQ-UHFFFAOYSA-N -1 0 341.751 2.157 20 5 EEBDRM CC(C)c1ncc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000794616529 1369586786 /nfs/dbraw/zinc/58/67/86/1369586786.db2.gz MEJMWBWSCNBEHZ-UHFFFAOYSA-N -1 0 340.336 2.448 20 5 EEBDRM CC[C@H](C)CCC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000796826140 1371473822 /nfs/dbraw/zinc/47/38/22/1371473822.db2.gz KBMQWRQRHCNXLL-VIFPVBQESA-N -1 0 332.353 2.365 20 5 EEBDRM COC(OC)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000798145264 1371569583 /nfs/dbraw/zinc/56/95/83/1371569583.db2.gz VXQAFLNUYGLYFZ-HNNXBMFYSA-N -1 0 346.339 2.390 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000798223470 1371573639 /nfs/dbraw/zinc/57/36/39/1371573639.db2.gz QKBAZCBXXZGXNF-UHFFFAOYSA-N -1 0 334.712 2.459 20 5 EEBDRM CC(C)S(=O)(=O)[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835114344 1372592388 /nfs/dbraw/zinc/59/23/88/1372592388.db2.gz RXNWXCNMHVKYDS-UHFFFAOYSA-N -1 0 340.279 2.082 20 5 EEBDRM C[C@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000835154275 1372597349 /nfs/dbraw/zinc/59/73/49/1372597349.db2.gz AYNVNFVQDWIUKP-UFBFGSQYSA-N -1 0 332.403 2.288 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CC1(Cl)Cl ZINC000918191611 768971563 /nfs/dbraw/zinc/97/15/63/768971563.db2.gz HUBMLEBKXFINDA-ZCFIWIBFSA-N -1 0 343.163 2.206 20 5 EEBDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000175079410 773447669 /nfs/dbraw/zinc/44/76/69/773447669.db2.gz GAKFSSHSEVJOIQ-UHFFFAOYSA-N -1 0 338.341 2.064 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C1CCCCCC1 ZINC000112160794 775440268 /nfs/dbraw/zinc/44/02/68/775440268.db2.gz KMGPHAAGHKQFDX-UHFFFAOYSA-N -1 0 332.403 2.432 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000261644581 779618809 /nfs/dbraw/zinc/61/88/09/779618809.db2.gz FCIXNRSBIAATEL-LBPRGKRZSA-N -1 0 336.344 2.077 20 5 EEBDRM Cc1cc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)ncc1[N+](=O)[O-] ZINC001167935869 780995673 /nfs/dbraw/zinc/99/56/73/780995673.db2.gz SYEYWBVQLHJBRB-UHFFFAOYSA-N -1 0 349.283 2.383 20 5 EEBDRM Cc1cccc(CC(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000170671703 790954991 /nfs/dbraw/zinc/95/49/91/790954991.db2.gz UIURZMRWMJUIIL-UHFFFAOYSA-N -1 0 348.380 2.092 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])nn1C ZINC000817355337 784692583 /nfs/dbraw/zinc/69/25/83/784692583.db2.gz VIICZIMFBSLYON-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM COc1ccc([C@@H](O)CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000844208031 788925999 /nfs/dbraw/zinc/92/59/99/788925999.db2.gz MCIIUEMOEBMHBP-ZDUSSCGKSA-N -1 0 347.327 2.151 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC(c3ncc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000844209465 788928752 /nfs/dbraw/zinc/92/87/52/788928752.db2.gz ULWQXCCIBGJDFT-UHFFFAOYSA-N -1 0 330.344 2.329 20 5 EEBDRM CN(C[C@@H](O)Cc1ccccc1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844210217 788929847 /nfs/dbraw/zinc/92/98/47/788929847.db2.gz RWRATODEYBFMQR-HNNXBMFYSA-N -1 0 344.367 2.262 20 5 EEBDRM O=C([O-])c1cnc(N[C@H](CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000844216165 788934647 /nfs/dbraw/zinc/93/46/47/788934647.db2.gz BIWQLYKBZDDWMB-CYBMUJFWSA-N -1 0 331.328 2.094 20 5 EEBDRM C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000151525693 792721028 /nfs/dbraw/zinc/72/10/28/792721028.db2.gz RVCJNTYSFHXXOU-WCQYABFASA-N -1 0 340.401 2.367 20 5 EEBDRM CCC(=CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)CC ZINC000151761257 794143171 /nfs/dbraw/zinc/14/31/71/794143171.db2.gz WKMKTYSCHXLCDE-UHFFFAOYSA-N -1 0 330.337 2.285 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000916747138 797875760 /nfs/dbraw/zinc/87/57/60/797875760.db2.gz HKAWUMGZJSUTFR-UHFFFAOYSA-N -1 0 346.320 2.460 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CCC(C)(F)F ZINC000917444664 798227485 /nfs/dbraw/zinc/22/74/85/798227485.db2.gz SRPPOTHAXPJVQA-UHFFFAOYSA-N -1 0 336.316 2.144 20 5 EEBDRM O=C([O-])c1cc(Nc2ncccc2N2CCOCC2)cc([N+](=O)[O-])c1 ZINC001176673437 798523591 /nfs/dbraw/zinc/52/35/91/798523591.db2.gz YRGICSLWDSILQC-UHFFFAOYSA-N -1 0 344.327 2.268 20 5 EEBDRM O=C([O-])c1cc(Nc2cccc3c2OCC(=O)N3)cc([N+](=O)[O-])c1 ZINC001176677314 798524761 /nfs/dbraw/zinc/52/47/61/798524761.db2.gz RTVHFYDEBKKSQT-UHFFFAOYSA-N -1 0 329.268 2.368 20 5 EEBDRM O=C([O-])c1cc(Nc2cncc(N3CCOCC3)c2)cc([N+](=O)[O-])c1 ZINC001176678635 798525949 /nfs/dbraw/zinc/52/59/49/798525949.db2.gz VRYGSTWTJFSVDK-UHFFFAOYSA-N -1 0 344.327 2.268 20 5 EEBDRM CC1(C)CC(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000797151084 800581416 /nfs/dbraw/zinc/58/14/16/800581416.db2.gz RBGNSDIVAFDGBC-UHFFFAOYSA-N -1 0 340.401 2.020 20 5 EEBDRM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)o1 ZINC000798229103 805465671 /nfs/dbraw/zinc/46/56/71/805465671.db2.gz YYJNEGRMZSTJSN-UHFFFAOYSA-N -1 0 349.727 2.162 20 5 EEBDRM COCCCO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000805038009 811135284 /nfs/dbraw/zinc/13/52/84/811135284.db2.gz PIOSXMRLSZLOOA-SECBINFHSA-N -1 0 332.740 2.100 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1 ZINC000346016602 939128470 /nfs/dbraw/zinc/12/84/70/939128470.db2.gz OEICKEVCIHFBNU-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000439943089 939204671 /nfs/dbraw/zinc/20/46/71/939204671.db2.gz IRIHWCPQMGTTDQ-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CO1 ZINC001595006192 951203053 /nfs/dbraw/zinc/20/30/53/951203053.db2.gz RQMFZIJWUYVXDQ-YUMQZZPRSA-N -1 0 344.270 2.081 20 5 EEBDRM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001595012646 951266229 /nfs/dbraw/zinc/26/62/29/951266229.db2.gz CLFQJPQYMHHVRF-LLVKDONJSA-N -1 0 338.335 2.380 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001589273527 953438146 /nfs/dbraw/zinc/43/81/46/953438146.db2.gz YTBHQGNGXNLGEN-MMMKDXCPSA-N -1 0 332.356 2.268 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001589303374 953711696 /nfs/dbraw/zinc/71/16/96/953711696.db2.gz REIVWYCXBDPSOF-WAZAZEMKSA-N -1 0 332.356 2.410 20 5 EEBDRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC001589337947 954010345 /nfs/dbraw/zinc/01/03/45/954010345.db2.gz ZYQXBSAEDSWFIZ-QZKOUSHUSA-N -1 0 332.356 2.268 20 5 EEBDRM O=C([O-])C1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CCSCC1 ZINC001594850371 954179913 /nfs/dbraw/zinc/17/99/13/954179913.db2.gz NFEJUQWQPAJZCA-UHFFFAOYSA-N -1 0 336.369 2.082 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001589382688 954289800 /nfs/dbraw/zinc/28/98/00/954289800.db2.gz JVBAJAYSJIKVBO-WDMOLILDSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C([O-])[C@@]1(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC=CCC1 ZINC001594878599 954398141 /nfs/dbraw/zinc/39/81/41/954398141.db2.gz LCUDRBDZNOUGOA-CQSZACIVSA-N -1 0 336.256 2.220 20 5 EEBDRM CN(Cc1cc(C(=O)[O-])nn1C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001593755511 954448418 /nfs/dbraw/zinc/44/84/18/954448418.db2.gz OFMWLDILHIFMLD-UHFFFAOYSA-N -1 0 338.751 2.312 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001589436170 954689123 /nfs/dbraw/zinc/68/91/23/954689123.db2.gz ZBQMFDYEKHQLLU-QMMMGPOBSA-N -1 0 345.149 2.293 20 5 EEBDRM Cc1ccc(NC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000797733764 955348229 /nfs/dbraw/zinc/34/82/29/955348229.db2.gz JPVZJNJRSUQJSQ-ZDUSSCGKSA-N -1 0 344.327 2.116 20 5 EEBDRM CC(C)C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001603036685 972098095 /nfs/dbraw/zinc/09/80/95/972098095.db2.gz QBUWHCMEZLIHMW-GFCCVEGCSA-N -1 0 330.287 2.031 20 5 EEBDRM CC(C)C[C@H](Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C(=O)[O-] ZINC001603053999 972118001 /nfs/dbraw/zinc/11/80/01/972118001.db2.gz FHHJBOOJLHMUGC-NSHDSACASA-N -1 0 333.344 2.358 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001594050508 957981295 /nfs/dbraw/zinc/98/12/95/957981295.db2.gz LMSAXMYFYBXRAR-IUCAKERBSA-N -1 0 340.307 2.068 20 5 EEBDRM COc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001594104499 958457372 /nfs/dbraw/zinc/45/73/72/958457372.db2.gz ZNQHNESTZXBEFO-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001594192848 959172408 /nfs/dbraw/zinc/17/24/08/959172408.db2.gz IJUCLOSBSZCINP-ONGXEEELSA-N -1 0 338.385 2.500 20 5 EEBDRM C[C@@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001594200688 959247778 /nfs/dbraw/zinc/24/77/78/959247778.db2.gz JSNRWNPRZUNUPG-OSMZGAPFSA-N -1 0 336.344 2.042 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574507644 961793056 /nfs/dbraw/zinc/79/30/56/961793056.db2.gz UUMLQUVDCJBGBQ-IUODEOHRSA-N -1 0 341.323 2.220 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)[O-] ZINC001609826404 970544764 /nfs/dbraw/zinc/54/47/64/970544764.db2.gz PKZKJNZJZQWIAP-SNVBAGLBSA-N -1 0 334.250 2.453 20 5 EEBDRM CC(C)(C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001603297480 972571102 /nfs/dbraw/zinc/57/11/02/972571102.db2.gz YNAASTCHNISZOT-INIZCTEOSA-N -1 0 338.335 2.335 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001606452586 973896485 /nfs/dbraw/zinc/89/64/85/973896485.db2.gz OPUWCEIPMXJYRX-CYBMUJFWSA-N -1 0 330.300 2.224 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC001592305199 977670360 /nfs/dbraw/zinc/67/03/60/977670360.db2.gz YNLQPMHBWHPPNJ-INIZCTEOSA-N -1 0 347.302 2.249 20 5 EEBDRM C[C@@H](CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC001592556307 978442631 /nfs/dbraw/zinc/44/26/31/978442631.db2.gz MSEOYMRDHSQBSH-NZVBXONLSA-N -1 0 332.356 2.410 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ocnc1C(=O)[O-] ZINC001595211881 979995984 /nfs/dbraw/zinc/99/59/84/979995984.db2.gz KKKURBKQSFZEFY-LLVKDONJSA-N -1 0 347.327 2.166 20 5 EEBDRM CC[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC001595487590 981233461 /nfs/dbraw/zinc/23/34/61/981233461.db2.gz KOSBTGVHPCVAKB-PPYFDQSRSA-N -1 0 340.401 2.024 20 5 EEBDRM CCN1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1=O ZINC001596426114 984080168 /nfs/dbraw/zinc/08/01/68/984080168.db2.gz OPLITGZRMDQSJJ-UHFFFAOYSA-N -1 0 341.751 2.005 20 5 EEBDRM CC(=O)c1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])nc1C ZINC001589283801 986014865 /nfs/dbraw/zinc/01/48/65/986014865.db2.gz RCTHDFQGKJNINF-UHFFFAOYSA-N -1 0 330.300 2.206 20 5 EEBDRM C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC001589378527 986444984 /nfs/dbraw/zinc/44/49/84/986444984.db2.gz MIWJTAYEZSGVMG-OQPBUACISA-N -1 0 330.287 2.302 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1[N+](=O)[O-] ZINC001597399306 987656490 /nfs/dbraw/zinc/65/64/90/987656490.db2.gz DOYRRXCOWWIBGX-UHFFFAOYSA-N -1 0 338.707 2.484 20 5 EEBDRM CCc1[nH]nc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1[N+](=O)[O-] ZINC001597400012 987660537 /nfs/dbraw/zinc/66/05/37/987660537.db2.gz RCBHYRROGDDFDU-ZETCQYMHSA-N -1 0 337.288 2.398 20 5 EEBDRM CCc1ccc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001597498463 988045322 /nfs/dbraw/zinc/04/53/22/988045322.db2.gz CZXXUGOFRMVWKP-LLVKDONJSA-N -1 0 328.271 2.092 20 5 EEBDRM CSc1ccc(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001599809408 988308494 /nfs/dbraw/zinc/30/84/94/988308494.db2.gz BQGANLSCPQVHRV-VFZGTOFNSA-N -1 0 338.385 2.500 20 5 EEBDRM CCn1nc(C)c(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1C ZINC001597934023 989902495 /nfs/dbraw/zinc/90/24/95/989902495.db2.gz JRQQNIHJPKPRKL-UHFFFAOYSA-N -1 0 347.327 2.483 20 5 EEBDRM COc1cccc([C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001599686664 990998189 /nfs/dbraw/zinc/99/81/89/990998189.db2.gz MPNMJXWLAIGUDF-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM CC(C)CN(C(=O)COc1ccccc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC001591280035 992206116 /nfs/dbraw/zinc/20/61/16/992206116.db2.gz ASQGFNXARCWNDP-UHFFFAOYSA-N -1 0 338.360 2.321 20 5 EEBDRM CC(C)CN(C(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C1CC1 ZINC001591280397 992208977 /nfs/dbraw/zinc/20/89/77/992208977.db2.gz IVMAKPRYLDRMJS-UHFFFAOYSA-N -1 0 336.344 2.319 20 5 EEBDRM C[C@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1cccc([N+](=O)[O-])c1 ZINC001593098686 993726782 /nfs/dbraw/zinc/72/67/82/993726782.db2.gz MHYUCPIWVPNCLA-VIFPVBQESA-N -1 0 333.300 2.446 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccc[nH]2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170752 994028035 /nfs/dbraw/zinc/02/80/35/994028035.db2.gz OOVMNJWOXRGFOW-VHSXEESVSA-N -1 0 346.343 2.299 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001599622678 994105404 /nfs/dbraw/zinc/10/54/04/994105404.db2.gz YUSLVJSFYINCSE-UHFFFAOYSA-N -1 0 346.299 2.018 20 5 EEBDRM CNc1nccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001598681931 994942211 /nfs/dbraw/zinc/94/22/11/994942211.db2.gz QPEFBUNMWPHARP-UHFFFAOYSA-N -1 0 334.263 2.121 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC1(C(=O)[O-])CC1 ZINC001593619687 995863020 /nfs/dbraw/zinc/86/30/20/995863020.db2.gz KZDNRHFGCADJJN-QMMMGPOBSA-N -1 0 343.719 2.424 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001593768612 996453880 /nfs/dbraw/zinc/45/38/80/996453880.db2.gz NMKRGVUUIRZHKH-INIZCTEOSA-N -1 0 335.360 2.034 20 5 EEBDRM COC(=O)CC(C)(C)CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001598833125 996457109 /nfs/dbraw/zinc/45/71/09/996457109.db2.gz AFFYJAHSDYHYCF-UHFFFAOYSA-N -1 0 339.300 2.178 20 5 EEBDRM COC(=O)CC1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC001598842245 996535283 /nfs/dbraw/zinc/53/52/83/996535283.db2.gz DTMWVPJOJSDDIY-UHFFFAOYSA-N -1 0 337.332 2.223 20 5 EEBDRM COC(=O)c1cc(COc2cccnc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001598934258 997831788 /nfs/dbraw/zinc/83/17/88/997831788.db2.gz DMFBYRSXDVUAGY-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM C[C@H]1CCC[C@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594352627 999335388 /nfs/dbraw/zinc/33/53/88/999335388.db2.gz KBGGXSPZZGWAHO-JQWIXIFHSA-N -1 0 335.360 2.400 20 5 EEBDRM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000029403982 212665055 /nfs/dbraw/zinc/66/50/55/212665055.db2.gz PMOOXNQUWRQDDY-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM C[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000424239473 240878161 /nfs/dbraw/zinc/87/81/61/240878161.db2.gz CSODSMLWHNMKHY-BMIGLBTASA-N -1 0 347.371 2.494 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C2CC2)nn1 ZINC000446968382 242234366 /nfs/dbraw/zinc/23/43/66/242234366.db2.gz YUGJHAAEWKRMEF-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM CCC(CC)(CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000236885784 242396879 /nfs/dbraw/zinc/39/68/79/242396879.db2.gz HMSBQKNBAATHCV-UHFFFAOYSA-N -1 0 334.332 2.092 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262461192 244986971 /nfs/dbraw/zinc/98/69/71/244986971.db2.gz QRDFACLLDBBYDB-SNVBAGLBSA-N -1 0 326.374 2.397 20 5 EEBDRM CC(C)[C@@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000262766932 245166539 /nfs/dbraw/zinc/16/65/39/245166539.db2.gz KYBSBEXAUANABP-OCCSQVGLSA-N -1 0 336.344 2.226 20 5 EEBDRM C[C@@]1(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCC[C@@H]1C(=O)[O-] ZINC000262918861 245251766 /nfs/dbraw/zinc/25/17/66/245251766.db2.gz IMRYUQNSSPFFSI-BDJLRTHQSA-N -1 0 346.343 2.234 20 5 EEBDRM C[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H](C(=O)[O-])C1 ZINC000263046019 245309565 /nfs/dbraw/zinc/30/95/65/245309565.db2.gz PPJINBLCIGOKKH-NHYWBVRUSA-N -1 0 345.355 2.261 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000238050580 304178837 /nfs/dbraw/zinc/17/88/37/304178837.db2.gz SLJAPIRDZYKKLZ-CQSZACIVSA-N -1 0 347.371 2.274 20 5 EEBDRM CCOC(=O)c1[nH]c(C)nc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000491934040 246222019 /nfs/dbraw/zinc/22/20/19/246222019.db2.gz DGBFIKMRQOWMSO-RMKNXTFCSA-N -1 0 344.327 2.455 20 5 EEBDRM CC(C)c1[n-]n(C)c(=O)c1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000271172195 256215648 /nfs/dbraw/zinc/21/56/48/256215648.db2.gz UMOIBVKPOOXNRF-NSHDSACASA-N -1 0 338.751 2.287 20 5 EEBDRM O=C(Nc1cc(C2CCOCC2)[nH]n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000155075837 224354295 /nfs/dbraw/zinc/35/42/95/224354295.db2.gz NIWVSLLMDXTPDB-UHFFFAOYSA-N -1 0 332.316 2.170 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000263285792 140899149 /nfs/dbraw/zinc/89/91/49/140899149.db2.gz ZIOWQEZECLCFIV-NXEZZACHSA-N -1 0 329.312 2.078 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)nc1C ZINC000355878728 153184007 /nfs/dbraw/zinc/18/40/07/153184007.db2.gz HTLWWUGVXDDYKZ-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1O ZINC000357653788 153267408 /nfs/dbraw/zinc/26/74/08/153267408.db2.gz LMKACYWYHHHVBK-UHFFFAOYSA-N -1 0 332.312 2.287 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1 ZINC000110095240 159357147 /nfs/dbraw/zinc/35/71/47/159357147.db2.gz SCGUBOGBMHSPOA-UHFFFAOYSA-N -1 0 345.340 2.181 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000183890476 159994012 /nfs/dbraw/zinc/99/40/12/159994012.db2.gz QMFMPSUMEGQFFP-UHFFFAOYSA-N -1 0 329.284 2.377 20 5 EEBDRM O=C([O-])Cc1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000238093764 160228091 /nfs/dbraw/zinc/22/80/91/160228091.db2.gz KUPSLITZTHCSLI-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000341892884 161021955 /nfs/dbraw/zinc/02/19/55/161021955.db2.gz BOPLGHDSQMZRDI-YFKPBYRVSA-N -1 0 332.687 2.477 20 5 EEBDRM CN(CC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000345840861 161336382 /nfs/dbraw/zinc/33/63/82/161336382.db2.gz DXDAKZKRNHDOGR-UHFFFAOYSA-N -1 0 343.339 2.297 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H](CO)C1CCCC1 ZINC000352557585 162185879 /nfs/dbraw/zinc/18/58/79/162185879.db2.gz AAOAGDZQSMMOFO-NSHDSACASA-N -1 0 348.808 2.078 20 5 EEBDRM CCOc1ccc(F)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1F ZINC000355686400 163269132 /nfs/dbraw/zinc/26/91/32/163269132.db2.gz HLRHKAZGAWHXHC-UHFFFAOYSA-N -1 0 326.259 2.258 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000355758802 163292586 /nfs/dbraw/zinc/29/25/86/163292586.db2.gz WYJZCRKPQPPKIA-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000272680159 269007620 /nfs/dbraw/zinc/00/76/20/269007620.db2.gz NFYPUPHEEDQXTM-VIFPVBQESA-N -1 0 347.293 2.009 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000275223534 274230436 /nfs/dbraw/zinc/23/04/36/274230436.db2.gz DRLIECSQHSUKGT-NSHDSACASA-N -1 0 342.373 2.003 20 5 EEBDRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000269078644 298210221 /nfs/dbraw/zinc/21/02/21/298210221.db2.gz BWLGESFMAGBMJK-GFCCVEGCSA-N -1 0 349.387 2.376 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(OCC(=O)[O-])c2)c1 ZINC000431511013 314638226 /nfs/dbraw/zinc/63/82/26/314638226.db2.gz WBNTUTNREJEJQA-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM COc1cccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1OC ZINC000436636005 314982430 /nfs/dbraw/zinc/98/24/30/314982430.db2.gz OXGNGPDZALAIOX-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM O=C(Nc1ccc(Cn2ccnc2)cn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436695433 314989423 /nfs/dbraw/zinc/98/94/23/314989423.db2.gz FHXIPZUBZVPSHB-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(O)c1 ZINC000436904349 315011341 /nfs/dbraw/zinc/01/13/41/315011341.db2.gz YTZGLSOYOYQGNV-UHFFFAOYSA-N -1 0 346.295 2.435 20 5 EEBDRM O=C(Nc1ccc(OC2COC2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000444529359 315305560 /nfs/dbraw/zinc/30/55/60/315305560.db2.gz UDJUUBQARVDNBE-UHFFFAOYSA-N -1 0 330.296 2.330 20 5 EEBDRM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCOC1 ZINC000520587046 316868845 /nfs/dbraw/zinc/86/88/45/316868845.db2.gz RTPMSVLRVBINEY-BDAKNGLRSA-N -1 0 328.752 2.499 20 5 EEBDRM Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(C(F)(F)F)n1 ZINC000542634542 318134021 /nfs/dbraw/zinc/13/40/21/318134021.db2.gz PRDLBLSQDKCQCJ-UHFFFAOYSA-N -1 0 330.222 2.305 20 5 EEBDRM CCCN(CC1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000563531814 319020214 /nfs/dbraw/zinc/02/02/14/319020214.db2.gz BCZNXXZCSJYKDE-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM Cn1cnc([N+](=O)[O-])c1N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000565042077 319142810 /nfs/dbraw/zinc/14/28/10/319142810.db2.gz SWUMSVWTWFJORQ-UHFFFAOYSA-N -1 0 345.359 2.107 20 5 EEBDRM O=C([O-])C1(O)CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000565604757 319198237 /nfs/dbraw/zinc/19/82/37/319198237.db2.gz XMMFMZPGTSNLFV-UHFFFAOYSA-N -1 0 334.250 2.030 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2c2cccnn2)c1 ZINC000565717939 319207826 /nfs/dbraw/zinc/20/78/26/319207826.db2.gz ARZFYWHHYPPGRZ-GFCCVEGCSA-N -1 0 343.343 2.164 20 5 EEBDRM Cc1cc(NCC(C)(C)N2CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567980469 319440974 /nfs/dbraw/zinc/44/09/74/319440974.db2.gz BHVHRVPBVDNPRU-UHFFFAOYSA-N -1 0 337.376 2.124 20 5 EEBDRM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000569803675 319609319 /nfs/dbraw/zinc/60/93/19/319609319.db2.gz VBALYNIUVCCNHS-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000574914693 320070721 /nfs/dbraw/zinc/07/07/21/320070721.db2.gz DZHSURVRMDTMDW-UHFFFAOYSA-N -1 0 344.389 2.048 20 5 EEBDRM CCCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000576396513 320167893 /nfs/dbraw/zinc/16/78/93/320167893.db2.gz DGWDAMNMSDPZKV-UHFFFAOYSA-N -1 0 330.362 2.150 20 5 EEBDRM CCc1cc(NC[C@@H](C)C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000577518496 320260762 /nfs/dbraw/zinc/26/07/62/320260762.db2.gz VQZQMXBESMSAAP-SNVBAGLBSA-N -1 0 330.344 2.169 20 5 EEBDRM Cn1ncc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc21 ZINC000578291368 320305034 /nfs/dbraw/zinc/30/50/34/320305034.db2.gz BWMLFSHHRXYNBN-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM C[C@H]1[C@@H](CO)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578535287 323649854 /nfs/dbraw/zinc/64/98/54/323649854.db2.gz HBSPWVMITCGIMM-DTWKUNHWSA-N -1 0 328.752 2.187 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)c([N+](=O)[O-])c1 ZINC000341384824 465140466 /nfs/dbraw/zinc/14/04/66/465140466.db2.gz DLMOUNMNHZWPBX-UHFFFAOYSA-N -1 0 344.352 2.647 20 5 EEBDRM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356302148 465303524 /nfs/dbraw/zinc/30/35/24/465303524.db2.gz ZECPOTSLMFFVBM-BJOHPYRUSA-N -1 0 330.296 2.467 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000130767963 462774992 /nfs/dbraw/zinc/77/49/92/462774992.db2.gz FVADMVACNQGDMW-UHFFFAOYSA-N -1 0 347.356 2.229 20 5 EEBDRM C[C@H](N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1)C(F)(F)F ZINC000156613492 463048803 /nfs/dbraw/zinc/04/88/03/463048803.db2.gz RFMWQJNSWFJEHF-VIFPVBQESA-N -1 0 347.293 2.009 20 5 EEBDRM CCc1ncc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn1 ZINC000161922195 463469093 /nfs/dbraw/zinc/46/90/93/463469093.db2.gz MZORKSJCCGDWEI-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM CC(C)Oc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])ccn1 ZINC000162860676 463544832 /nfs/dbraw/zinc/54/48/32/463544832.db2.gz OYKGOMQKPLHCPJ-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM Cc1nn(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000107037599 463556054 /nfs/dbraw/zinc/55/60/54/463556054.db2.gz SIUVBHPISIVRNB-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H](OCc2ccccn2)C1 ZINC000269078088 463867447 /nfs/dbraw/zinc/86/74/47/463867447.db2.gz VLUBIIHHJIEBGI-CQSZACIVSA-N -1 0 343.339 2.127 20 5 EEBDRM O=C1CCc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2N1 ZINC000194638092 463900183 /nfs/dbraw/zinc/90/01/83/463900183.db2.gz VTFDZIVIWJQUID-UHFFFAOYSA-N -1 0 347.352 2.280 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000262093163 463944383 /nfs/dbraw/zinc/94/43/83/463944383.db2.gz CWXACPXJFADXBC-LBPRGKRZSA-N -1 0 347.352 2.311 20 5 EEBDRM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000172182109 464010151 /nfs/dbraw/zinc/01/01/51/464010151.db2.gz RFMXFNRXTOYKFK-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000188114780 464203454 /nfs/dbraw/zinc/20/34/54/464203454.db2.gz UASLUFHGWCRRKB-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000237657654 464359557 /nfs/dbraw/zinc/35/95/57/464359557.db2.gz HISCVUBCEHWFQE-INIZCTEOSA-N -1 0 333.344 2.106 20 5 EEBDRM O=C([O-])CCCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000238166687 464437017 /nfs/dbraw/zinc/43/70/17/464437017.db2.gz QLNRODPDNHLKHE-UHFFFAOYSA-N -1 0 346.343 2.155 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCCC[C@@H]1c1ncon1 ZINC000189615620 464531926 /nfs/dbraw/zinc/53/19/26/464531926.db2.gz CYXOXOILBBTMCO-GFCCVEGCSA-N -1 0 332.316 2.441 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000281998713 464663008 /nfs/dbraw/zinc/66/30/08/464663008.db2.gz WZCHVKZZEBANFY-SJCJKPOMSA-N -1 0 347.371 2.110 20 5 EEBDRM Cc1cnc(N2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)s1 ZINC000272592250 464673120 /nfs/dbraw/zinc/67/31/20/464673120.db2.gz IPXLSMSBNBJUKM-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM COC(=O)c1ccc([O-])c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000282715782 464919973 /nfs/dbraw/zinc/91/99/73/464919973.db2.gz GVRNMJTUXRAFED-UHFFFAOYSA-N -1 0 348.315 2.186 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000192723377 464984603 /nfs/dbraw/zinc/98/46/03/464984603.db2.gz BDLGMHSXYBTNRT-QMTHXVAHSA-N -1 0 346.343 2.010 20 5 EEBDRM O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184549605 464994011 /nfs/dbraw/zinc/99/40/11/464994011.db2.gz LZJFSXMEIPQZFR-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1O ZINC000351756952 465342669 /nfs/dbraw/zinc/34/26/69/465342669.db2.gz ROORJXBOLCRCKT-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM COCCNc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356554454 465453904 /nfs/dbraw/zinc/45/39/04/465453904.db2.gz VMMNLLQZRUYASW-UHFFFAOYSA-N -1 0 345.355 2.289 20 5 EEBDRM COc1ccc([C@@H](CCO)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356722635 465506742 /nfs/dbraw/zinc/50/67/42/465506742.db2.gz CTMKWLDHFKSRRP-MRXNPFEDSA-N -1 0 346.339 2.163 20 5 EEBDRM CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000600054452 468444762 /nfs/dbraw/zinc/44/47/62/468444762.db2.gz PMMDFLLJEWZYPV-UHFFFAOYSA-N -1 0 348.315 2.231 20 5 EEBDRM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000340522339 466151385 /nfs/dbraw/zinc/15/13/85/466151385.db2.gz DFSADTXHQWQINL-LBPRGKRZSA-N -1 0 336.344 2.247 20 5 EEBDRM CC(C)O[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000361810054 466307940 /nfs/dbraw/zinc/30/79/40/466307940.db2.gz USJUBPWGEDAGEC-ZIAGYGMSSA-N -1 0 342.417 2.465 20 5 EEBDRM O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)c1sccc1F ZINC000338853064 466428345 /nfs/dbraw/zinc/42/83/45/466428345.db2.gz WUMYPVJZSIFELZ-UHFFFAOYSA-N -1 0 345.377 2.186 20 5 EEBDRM COc1ccc2c(c1)OC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C2 ZINC000436550086 467544475 /nfs/dbraw/zinc/54/44/75/467544475.db2.gz YQZDXRHGGHXGNR-LLVKDONJSA-N -1 0 344.323 2.043 20 5 EEBDRM CNC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1F ZINC000436603012 467547157 /nfs/dbraw/zinc/54/71/57/467547157.db2.gz LBDPEJSVNWOJEI-UHFFFAOYSA-N -1 0 348.290 2.443 20 5 EEBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])nn1-c1ccccc1 ZINC000436894833 467555022 /nfs/dbraw/zinc/55/50/22/467555022.db2.gz UQDDMCFGKAZDQR-UHFFFAOYSA-N -1 0 338.323 3.047 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000493110297 467842404 /nfs/dbraw/zinc/84/24/04/467842404.db2.gz ZRPQDEHYMPZDBI-WHXYTISESA-N -1 0 334.357 2.228 20 5 EEBDRM COCc1nc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cs1 ZINC000569697126 468530877 /nfs/dbraw/zinc/53/08/77/468530877.db2.gz KEZDCXKBCZBGQF-UHFFFAOYSA-N -1 0 337.357 2.437 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cnccc1N1CCCC1 ZINC000570162821 468598833 /nfs/dbraw/zinc/59/88/33/468598833.db2.gz QWZTYJPMIPGLOQ-UHFFFAOYSA-N -1 0 348.384 2.391 20 5 EEBDRM C[C@@H]1[C@H](C(F)(F)F)OCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000594735680 468668155 /nfs/dbraw/zinc/66/81/55/468668155.db2.gz MZDHVDOOOSDPPI-RDDDGLTNSA-N -1 0 334.250 2.449 20 5 EEBDRM O=C([O-])C1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCOCC1 ZINC000592418939 468693765 /nfs/dbraw/zinc/69/37/65/468693765.db2.gz GPZUTTHFRCGPSO-UHFFFAOYSA-N -1 0 335.360 2.162 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000571083991 468737800 /nfs/dbraw/zinc/73/78/00/468737800.db2.gz YLHHKXLSSIYLHI-PWSUYJOCSA-N -1 0 346.343 2.330 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000584265377 468830449 /nfs/dbraw/zinc/83/04/49/468830449.db2.gz PWFLHXVQGRNMJQ-UHFFFAOYSA-N -1 0 345.739 2.146 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCc3ccc(O)cc3CC2)n1 ZINC000592970892 468830954 /nfs/dbraw/zinc/83/09/54/468830954.db2.gz NYTSNOZUBPRJPK-UHFFFAOYSA-N -1 0 343.339 2.307 20 5 EEBDRM COc1cccc2c1OC[C@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000592972178 468831888 /nfs/dbraw/zinc/83/18/88/468831888.db2.gz UUFVTVUAXKRKSG-SNVBAGLBSA-N -1 0 345.311 2.112 20 5 EEBDRM O=C([O-])Cc1ccc(NCC2(O)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000592974914 468832168 /nfs/dbraw/zinc/83/21/68/468832168.db2.gz BKWKFAHZLNZHCK-UHFFFAOYSA-N -1 0 342.351 2.164 20 5 EEBDRM O=C([O-])c1cc(N[C@H]2CCN(c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000592976881 468833065 /nfs/dbraw/zinc/83/30/65/468833065.db2.gz DMMSVKBKUNDRMG-LBPRGKRZSA-N -1 0 328.328 2.379 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598661611 468949541 /nfs/dbraw/zinc/94/95/41/468949541.db2.gz JYQALBPZDJHHQC-IUODEOHRSA-N -1 0 347.371 2.485 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000598661659 468949760 /nfs/dbraw/zinc/94/97/60/468949760.db2.gz MOKUKAKPELPNNT-WFASDCNBSA-N -1 0 349.387 2.429 20 5 EEBDRM CCOc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000610483441 468981108 /nfs/dbraw/zinc/98/11/08/468981108.db2.gz GSRRKPAKIFTINZ-UHFFFAOYSA-N -1 0 341.320 2.328 20 5 EEBDRM O=[N+]([O-])c1ncccc1S(=O)(=O)NCC[C@H]1CCc2ccccc21 ZINC000562552005 468990322 /nfs/dbraw/zinc/99/03/22/468990322.db2.gz SBRWJTWIDBMWFH-CYBMUJFWSA-N -1 0 347.396 2.388 20 5 EEBDRM CC[C@H](C)C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000572963655 469031070 /nfs/dbraw/zinc/03/10/70/469031070.db2.gz KRUZUALJZNXSTG-QPUJVOFHSA-N -1 0 334.332 2.090 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)ccc1Cl ZINC000610847933 469088612 /nfs/dbraw/zinc/08/86/12/469088612.db2.gz LSSJUGBIGRMJFZ-UHFFFAOYSA-N -1 0 338.707 2.172 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C1CC1 ZINC000593703694 469102531 /nfs/dbraw/zinc/10/25/31/469102531.db2.gz LZRYBGDBJXBNSI-UONOGXRCSA-N -1 0 343.339 2.259 20 5 EEBDRM COc1cccc(CCCn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c1 ZINC000738096793 577999228 /nfs/dbraw/zinc/99/92/28/577999228.db2.gz MDUMWZJWXNEZSQ-UHFFFAOYSA-N -1 0 332.312 2.096 20 5 EEBDRM COc1ccc(OCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000738047674 576291961 /nfs/dbraw/zinc/29/19/61/576291961.db2.gz MHUKEZPWWRMKOL-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM O=C([O-])c1coc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000740258195 576415851 /nfs/dbraw/zinc/41/58/51/576415851.db2.gz MUTRWUOKJGPSIQ-UHFFFAOYSA-N -1 0 337.215 2.065 20 5 EEBDRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000738088313 576458205 /nfs/dbraw/zinc/45/82/05/576458205.db2.gz HGIJLZYFTSZYBC-UHFFFAOYSA-N -1 0 332.268 2.224 20 5 EEBDRM Cc1ccc(C(N)=O)cc1OC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000729107513 576600510 /nfs/dbraw/zinc/60/05/10/576600510.db2.gz KQCAGNNPOYTZIO-UHFFFAOYSA-N -1 0 340.295 2.098 20 5 EEBDRM O=C(NCc1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772738442 577293043 /nfs/dbraw/zinc/29/30/43/577293043.db2.gz ZTOIDSHGSLOQFZ-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnc(C2OCCO2)s1 ZINC000774082680 577382219 /nfs/dbraw/zinc/38/22/19/577382219.db2.gz SCFYAIPYMCFZGX-UHFFFAOYSA-N -1 0 337.313 2.055 20 5 EEBDRM CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000774202491 577388626 /nfs/dbraw/zinc/38/86/26/577388626.db2.gz KALHCWNLJGIVRP-SNVBAGLBSA-N -1 0 344.364 2.365 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000767051479 577529726 /nfs/dbraw/zinc/52/97/26/577529726.db2.gz KTVNAAWLQGWZDI-MRXNPFEDSA-N -1 0 347.327 2.222 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000767075245 577530285 /nfs/dbraw/zinc/53/02/85/577530285.db2.gz HFNKPMUVLSXABR-CYBMUJFWSA-N -1 0 333.344 2.152 20 5 EEBDRM C[C@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000770777504 577603440 /nfs/dbraw/zinc/60/34/40/577603440.db2.gz VXLJHBHCALENEC-HZAKCSEPSA-N -1 0 342.348 2.285 20 5 EEBDRM Nc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000761947798 577692139 /nfs/dbraw/zinc/69/21/39/577692139.db2.gz WNFGWQLWLKPJIA-UHFFFAOYSA-N -1 0 346.727 2.165 20 5 EEBDRM O=C([O-])c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000738688096 578023880 /nfs/dbraw/zinc/02/38/80/578023880.db2.gz BYVABXBLROAZKR-UHFFFAOYSA-N -1 0 344.279 2.317 20 5 EEBDRM O=C([O-])N1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000739346512 578049347 /nfs/dbraw/zinc/04/93/47/578049347.db2.gz PJBKGAVGLATJPW-SNVBAGLBSA-N -1 0 341.751 2.049 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000739356584 578049885 /nfs/dbraw/zinc/04/98/85/578049885.db2.gz LLPHCUFHOUVQDK-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM C[C@H](O)c1ccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000736686370 578218041 /nfs/dbraw/zinc/21/80/41/578218041.db2.gz RSVGAWCHCNCQQK-JTQLQIEISA-N -1 0 344.323 2.276 20 5 EEBDRM CCC[C@@](C)(O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736958470 578231198 /nfs/dbraw/zinc/23/11/98/578231198.db2.gz DPPPMYCNYMLRIM-CYBMUJFWSA-N -1 0 327.293 2.164 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000821515746 597437464 /nfs/dbraw/zinc/43/74/64/597437464.db2.gz NELRGWGWVALTKH-LLVKDONJSA-N -1 0 345.355 2.332 20 5 EEBDRM Cc1c(Br)c(=O)n(CCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000165352580 597758829 /nfs/dbraw/zinc/75/88/29/597758829.db2.gz XNVBKAYEDSTBNS-UHFFFAOYSA-N -1 0 333.138 2.082 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000821515603 598208048 /nfs/dbraw/zinc/20/80/48/598208048.db2.gz JURNOFQHZPMHRP-SNVBAGLBSA-N -1 0 342.298 2.400 20 5 EEBDRM C[C@@H](CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1)C(=O)[O-] ZINC000262275275 599916060 /nfs/dbraw/zinc/91/60/60/599916060.db2.gz YSYAZLNUGPGNPZ-NSHDSACASA-N -1 0 345.355 2.261 20 5 EEBDRM CN(Cc1ccncc1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000830865183 600811003 /nfs/dbraw/zinc/81/10/03/600811003.db2.gz LGAMCTIFSZLZAY-UHFFFAOYSA-N -1 0 332.272 2.233 20 5 EEBDRM Cn1c(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833038755 601091339 /nfs/dbraw/zinc/09/13/39/601091339.db2.gz HSTRBKVTSBDPNA-JSGCOSHPSA-N -1 0 349.387 2.429 20 5 EEBDRM CCC(CC)(CCO)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828814983 601904055 /nfs/dbraw/zinc/90/40/55/601904055.db2.gz CEZJJTUDJVRDSJ-UHFFFAOYSA-N -1 0 338.360 2.212 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)COc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000828730925 602125156 /nfs/dbraw/zinc/12/51/56/602125156.db2.gz XELBUJGORRUUGX-UFBFGSQYSA-N -1 0 344.751 2.243 20 5 EEBDRM O=C([O-])c1csc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000833122320 602189495 /nfs/dbraw/zinc/18/94/95/602189495.db2.gz HYGALQPXZZEVFV-UHFFFAOYSA-N -1 0 346.324 2.343 20 5 EEBDRM CC(=O)NC1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000825870985 602252652 /nfs/dbraw/zinc/25/26/52/602252652.db2.gz KKZCKKSVDMHQBD-UHFFFAOYSA-N -1 0 341.751 2.051 20 5 EEBDRM CCCNC(=O)[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000829508620 602315858 /nfs/dbraw/zinc/31/58/58/602315858.db2.gz WIYZZMAHWCRCMR-GFCCVEGCSA-N -1 0 349.387 2.344 20 5 EEBDRM Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896971 602320611 /nfs/dbraw/zinc/32/06/11/602320611.db2.gz IRTUPYKJDPGWNV-DYLAAIIWSA-N -1 0 333.344 2.023 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NC[C@@H](O)c2cccnc2)c([N+](=O)[O-])c1 ZINC000833197551 604465354 /nfs/dbraw/zinc/46/53/54/604465354.db2.gz REMMTABMLWLDTA-CSPWOOARSA-N -1 0 329.312 2.233 20 5 EEBDRM C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000833525657 605420729 /nfs/dbraw/zinc/42/07/29/605420729.db2.gz QSQYCBFUMCQQQH-BXKUYDPTSA-N -1 0 343.343 2.403 20 5 EEBDRM Cc1c(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cnn1C ZINC000014257103 676905010 /nfs/dbraw/zinc/90/50/10/676905010.db2.gz GUTVTDFDRPGVDM-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM Cc1c(CO)cc([N+](=O)[O-])c(NCCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000841504635 1187083823 /nfs/dbraw/zinc/08/38/23/1187083823.db2.gz JAEYRAICANLDIT-UHFFFAOYSA-N -1 0 341.320 2.361 20 5 EEBDRM CC(C)OCCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000812802586 1200935661 /nfs/dbraw/zinc/93/56/61/1200935661.db2.gz QUSDDOYDYSUEIT-JTQLQIEISA-N -1 0 346.767 2.488 20 5 EEBDRM O=C(NC[C@@]1(O)CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779671849 1210746039 /nfs/dbraw/zinc/74/60/39/1210746039.db2.gz ZUFRIVPKFLOZMU-SFHVURJKSA-N -1 0 342.351 2.254 20 5 EEBDRM Cc1[nH]ncc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000090231341 1212445953 /nfs/dbraw/zinc/44/59/53/1212445953.db2.gz PEPUXCLCZIFQDR-UHFFFAOYSA-N -1 0 330.753 2.389 20 5 EEBDRM COC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795864756 1215134286 /nfs/dbraw/zinc/13/42/86/1215134286.db2.gz IMKWAJCQNSALRT-UHFFFAOYSA-N -1 0 340.760 2.091 20 5 EEBDRM CCc1cnc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000119880188 1229620863 /nfs/dbraw/zinc/62/08/63/1229620863.db2.gz SRVDPZHQHWGDRY-UHFFFAOYSA-N -1 0 333.416 2.154 20 5 EEBDRM Cc1cc(C)cc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000801531100 1235791978 /nfs/dbraw/zinc/79/19/78/1235791978.db2.gz LMQUDQUHWCDOOA-INIZCTEOSA-N -1 0 330.340 2.381 20 5 EEBDRM O=C(C=C1CCC1)N[C@H]1C[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001068463295 1251110805 /nfs/dbraw/zinc/11/08/05/1251110805.db2.gz LXWXOUVRNSZOGC-HAQNSBGRSA-N -1 0 332.360 2.112 20 5 EEBDRM COC(=O)[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccccc1Cl ZINC001226333530 1301362132 /nfs/dbraw/zinc/36/21/32/1301362132.db2.gz AMOZAXXZHVOWIR-SNVBAGLBSA-N -1 0 339.691 2.037 20 5 EEBDRM CSc1nc(OC2CN(Cc3ccccc3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227625015 1301914456 /nfs/dbraw/zinc/91/44/56/1301914456.db2.gz MEVSTDHLZJRGOC-UHFFFAOYSA-N -1 0 348.384 2.076 20 5 EEBDRM CSc1nc(O[C@H]2CCCC(=O)C2(C)C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227627914 1301915412 /nfs/dbraw/zinc/91/54/12/1301915412.db2.gz JXEFIVSEXGNPOQ-QMMMGPOBSA-N -1 0 327.362 2.339 20 5 EEBDRM O=c1cn[n-]c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)c1Cl ZINC001228390026 1302238639 /nfs/dbraw/zinc/23/86/39/1302238639.db2.gz IJLPCOSLVRLRBS-VIFPVBQESA-N -1 0 336.735 2.402 20 5 EEBDRM O=c1nc(OC2CN(Cc3ccccc3)C2)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231067576 1303608549 /nfs/dbraw/zinc/60/85/49/1303608549.db2.gz CYQNBTKPXKJKOM-UHFFFAOYSA-N -1 0 336.735 2.007 20 5 EEBDRM CC(C)(C)C(=O)OC1CC(Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231071747 1303611155 /nfs/dbraw/zinc/61/11/55/1303611155.db2.gz KFEZUPDECWJAPC-UHFFFAOYSA-N -1 0 345.739 2.243 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1N ZINC001210447555 1325289985 /nfs/dbraw/zinc/28/99/85/1325289985.db2.gz ILHSEMBHIDRTKB-UHFFFAOYSA-N -1 0 341.320 2.126 20 5 EEBDRM O=C([O-])c1cccc(COC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC001601280296 1350247781 /nfs/dbraw/zinc/24/77/81/1350247781.db2.gz INVWFRWFVNADTL-UHFFFAOYSA-N -1 0 345.311 2.233 20 5 EEBDRM O=C([O-])C12CC(C1)CN2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001608317502 1351669653 /nfs/dbraw/zinc/66/96/53/1351669653.db2.gz DCRVUPXODMGBSX-UHFFFAOYSA-N -1 0 338.747 2.256 20 5 EEBDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC001319314296 1332681915 /nfs/dbraw/zinc/68/19/15/1332681915.db2.gz FCHOPTGTVUTDRA-UHFFFAOYSA-N -1 0 349.368 2.232 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])c1cc2c(cn1)OCCC2 ZINC001324714143 1333744283 /nfs/dbraw/zinc/74/42/83/1333744283.db2.gz LNZVDTCOLRXEIQ-UHFFFAOYSA-N -1 0 330.296 2.377 20 5 EEBDRM COC(=O)[C@@](C)(NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001325743829 1333951713 /nfs/dbraw/zinc/95/17/13/1333951713.db2.gz KPVMKQVWHYHVPP-KRWDZBQOSA-N -1 0 344.323 2.119 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC001609810799 1352091367 /nfs/dbraw/zinc/09/13/67/1352091367.db2.gz FIJOQOCTYCVBNZ-INIZCTEOSA-N -1 0 349.343 2.243 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001609924527 1352121276 /nfs/dbraw/zinc/12/12/76/1352121276.db2.gz IBKDCUPFOVDHLJ-CMPLNLGQSA-N -1 0 344.314 2.388 20 5 EEBDRM C[C@H]1CN(c2nnc(-c3cccc([O-])c3[N+](=O)[O-])n2C)C[C@H](C)S1 ZINC001341594096 1337295036 /nfs/dbraw/zinc/29/50/36/1337295036.db2.gz SMDSFALAUCUORR-UWVGGRQHSA-N -1 0 349.416 2.426 20 5 EEBDRM CC[C@@H]1CN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2C)C[C@H](C)O1 ZINC001344234366 1337385083 /nfs/dbraw/zinc/38/50/83/1337385083.db2.gz LNTXRAKTTLKOGA-CMPLNLGQSA-N -1 0 347.375 2.100 20 5 EEBDRM CCCC[C@H](OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)[O-] ZINC001609965235 1352131406 /nfs/dbraw/zinc/13/14/06/1352131406.db2.gz PPSVAXPKMZNMGB-JTQLQIEISA-N -1 0 325.273 2.124 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC001610214253 1352187031 /nfs/dbraw/zinc/18/70/31/1352187031.db2.gz PEWQGGOSLSOLGD-YGRLFVJLSA-N -1 0 336.344 2.067 20 5 EEBDRM COc1ccccc1OCC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610368239 1352212052 /nfs/dbraw/zinc/21/20/52/1352212052.db2.gz YELCCYUBRTXJQU-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001610389264 1352214867 /nfs/dbraw/zinc/21/48/67/1352214867.db2.gz XMYRBRFHZUJTJR-NSHDSACASA-N -1 0 343.339 2.293 20 5 EEBDRM Cc1c(NC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)cccc1[N+](=O)[O-] ZINC001610425199 1352220585 /nfs/dbraw/zinc/22/05/85/1352220585.db2.gz KDPYGQYKHBPYLL-OAHLLOKOSA-N -1 0 337.332 2.049 20 5 EEBDRM Cc1cc(C(=O)Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c(C)s1 ZINC001610434334 1352221905 /nfs/dbraw/zinc/22/19/05/1352221905.db2.gz YHXSHRQUPGXXKW-UHFFFAOYSA-N -1 0 336.325 2.016 20 5 EEBDRM NC(=O)c1cc([N+](=O)[O-])cnc1Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001610639458 1352256803 /nfs/dbraw/zinc/25/68/03/1352256803.db2.gz DSEGBVWDFZLWBQ-UHFFFAOYSA-N -1 0 337.675 2.233 20 5 EEBDRM O=C([O-])[C@@H]1CCc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2C1 ZINC001610712742 1352263818 /nfs/dbraw/zinc/26/38/18/1352263818.db2.gz NOFGFNMMYCBWIY-SECBINFHSA-N -1 0 347.352 2.493 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cnn(C(F)F)c2)cc([N+](=O)[O-])c1 ZINC001610810441 1352278876 /nfs/dbraw/zinc/27/88/76/1352278876.db2.gz LGMNHAGVGBDHCC-UHFFFAOYSA-N -1 0 326.215 2.137 20 5 EEBDRM Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cnn1-c1ccncc1 ZINC000092549108 1357407581 /nfs/dbraw/zinc/40/75/81/1357407581.db2.gz AIXANRRCSLXCAR-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM O=C([O-])c1ccc(-c2nn[nH]n2)c(C=Cc2csc([N+](=O)[O-])c2)n1 ZINC001593282947 1349761984 /nfs/dbraw/zinc/76/19/84/1349761984.db2.gz HXGICNAVARHYRM-HNQUOIGGSA-N -1 0 344.312 2.100 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001594975379 1349879402 /nfs/dbraw/zinc/87/94/02/1349879402.db2.gz FALZJOGPHJSACY-MRVPVSSYSA-N -1 0 328.296 2.068 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001600022944 1349956636 /nfs/dbraw/zinc/95/66/36/1349956636.db2.gz AZNVPHYHDPNYOM-UHFFFAOYSA-N -1 0 348.290 2.136 20 5 EEBDRM Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)c(C)s1 ZINC001600077096 1349966472 /nfs/dbraw/zinc/96/64/72/1349966472.db2.gz KOCGBEUOIBQZAV-UHFFFAOYSA-N -1 0 336.325 2.016 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2Cc3ccccc3N(C)C2)n1 ZINC001600106453 1349972186 /nfs/dbraw/zinc/97/21/86/1349972186.db2.gz CSDOSRVJRJKPNP-GFCCVEGCSA-N -1 0 342.355 2.469 20 5 EEBDRM Cc1ccc(OC[C@H](O)COc2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC001600469446 1350059250 /nfs/dbraw/zinc/05/92/50/1350059250.db2.gz MADZIZXYAZFEQB-CYBMUJFWSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ncsc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001600760452 1350130403 /nfs/dbraw/zinc/13/04/03/1350130403.db2.gz WSEBPVLLFAJPCM-AWEZNQCLSA-N -1 0 335.341 2.090 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001600826243 1350145640 /nfs/dbraw/zinc/14/56/40/1350145640.db2.gz MBBNJQMWQMWSHU-UHFFFAOYSA-N -1 0 340.238 2.403 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2cc(F)ccc2O)cc([N+](=O)[O-])c1 ZINC001601354907 1350264609 /nfs/dbraw/zinc/26/46/09/1350264609.db2.gz NUJXIPDRAQFYCK-UHFFFAOYSA-N -1 0 334.259 2.319 20 5 EEBDRM O=C([O-])c1nc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC001601360873 1350266393 /nfs/dbraw/zinc/26/63/93/1350266393.db2.gz DIMQNPDAYLBTAW-UHFFFAOYSA-N -1 0 349.730 2.200 20 5 EEBDRM O=C([O-])c1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])c[nH]1)OCCCO2 ZINC001601591536 1350314509 /nfs/dbraw/zinc/31/45/09/1350314509.db2.gz NEPMIEDJWXSMFI-UHFFFAOYSA-N -1 0 347.283 2.035 20 5 EEBDRM O=C([O-])[C@H](C[C@@H]1CCCOC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001601641819 1350326229 /nfs/dbraw/zinc/32/62/29/1350326229.db2.gz LWTQUARTAKBLSH-KWQFWETISA-N -1 0 329.740 2.325 20 5 EEBDRM O=C([O-])[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCOC1 ZINC001601655506 1350329563 /nfs/dbraw/zinc/32/95/63/1350329563.db2.gz MYZJLBSTCACXRM-IONNQARKSA-N -1 0 349.265 2.158 20 5 EEBDRM O=C([O-])C1(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001601709304 1350344901 /nfs/dbraw/zinc/34/49/01/1350344901.db2.gz PMDDFQPBALFVCN-UHFFFAOYSA-N -1 0 342.298 2.448 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)CC2 ZINC001601772757 1350361295 /nfs/dbraw/zinc/36/12/95/1350361295.db2.gz XBLOAWMDESIPLX-JTQLQIEISA-N -1 0 337.307 2.453 20 5 EEBDRM O=C([O-])/C=C/c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001601875676 1350387476 /nfs/dbraw/zinc/38/74/76/1350387476.db2.gz VVYWRPGUHLEDNJ-GQCTYLIASA-N -1 0 342.307 2.484 20 5 EEBDRM O=C([O-])CCNC(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC001602024425 1350420561 /nfs/dbraw/zinc/42/05/61/1350420561.db2.gz SLJHZUJYMNKMDW-UHFFFAOYSA-N -1 0 343.339 2.411 20 5 EEBDRM O=C([O-])Cc1ccccc1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001602146160 1350450640 /nfs/dbraw/zinc/45/06/40/1350450640.db2.gz BECQBFCLBGJHHM-UHFFFAOYSA-N -1 0 332.287 2.291 20 5 EEBDRM O=C([O-])Cc1sccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001602157688 1350454064 /nfs/dbraw/zinc/45/40/64/1350454064.db2.gz SUDOIOHRJVUJTH-UHFFFAOYSA-N -1 0 349.368 2.125 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCc2noc(C3CCC3)n2)cc([N+](=O)[O-])c1 ZINC001602250920 1350476943 /nfs/dbraw/zinc/47/69/43/1350476943.db2.gz NVLNTHXONRUBGL-UHFFFAOYSA-N -1 0 347.283 2.301 20 5 EEBDRM O=C([O-])c1cc(OC[C@@H](O)COc2ccccc2)ccc1[N+](=O)[O-] ZINC001602288070 1350486250 /nfs/dbraw/zinc/48/62/50/1350486250.db2.gz AQCSLFDZIQRTOO-NSHDSACASA-N -1 0 333.296 2.112 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cnc3cnccc3c2)cc([N+](=O)[O-])c1 ZINC001602286679 1350486377 /nfs/dbraw/zinc/48/63/77/1350486377.db2.gz VRYDZLKKOODYST-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)[C@]23C[C@H]2COC32CCC2)cc1[N+](=O)[O-] ZINC001602387212 1350508311 /nfs/dbraw/zinc/50/83/11/1350508311.db2.gz WADZSRIPMBQUMS-FVMDXXJSSA-N -1 0 333.296 2.158 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cnn(-c3ccccc3)c2)n1 ZINC001602405613 1350512056 /nfs/dbraw/zinc/51/20/56/1350512056.db2.gz AKJKONFJYJEFRP-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM CC(=O)N1CCC[C@@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001603020681 1350622665 /nfs/dbraw/zinc/62/26/65/1350622665.db2.gz OQZKDSJEFREXSE-DYLGSBMWSA-N -1 0 347.371 2.363 20 5 EEBDRM CC(C)CON=c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001603302826 1350683412 /nfs/dbraw/zinc/68/34/12/1350683412.db2.gz IEOXSDLXJSTEGJ-UHFFFAOYSA-N -1 0 329.320 2.323 20 5 EEBDRM CCc1noc(C)c1CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001604586378 1350965071 /nfs/dbraw/zinc/96/50/71/1350965071.db2.gz JCNYDMNVKTWHSZ-UHFFFAOYSA-N -1 0 329.320 2.246 20 5 EEBDRM CC[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC001605116172 1351080673 /nfs/dbraw/zinc/08/06/73/1351080673.db2.gz LAWSDMUZLLEEJD-QMTHXVAHSA-N -1 0 347.327 2.437 20 5 EEBDRM CNc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC001606310163 1351291570 /nfs/dbraw/zinc/29/15/70/1351291570.db2.gz JXGVFQOUTDYNTJ-GFCCVEGCSA-N -1 0 335.341 2.254 20 5 EEBDRM COC(=O)c1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c(F)c1 ZINC001606589546 1351328394 /nfs/dbraw/zinc/32/83/94/1351328394.db2.gz ZTWBXJLREMGXNG-UHFFFAOYSA-N -1 0 349.274 2.226 20 5 EEBDRM COc1ccc(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC001607202559 1351448091 /nfs/dbraw/zinc/44/80/91/1351448091.db2.gz RHONGOPPFPZZSJ-UHFFFAOYSA-N -1 0 334.328 2.215 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccoc1C(=O)[O-] ZINC001607291589 1351465691 /nfs/dbraw/zinc/46/56/91/1351465691.db2.gz JXHLGRNMMYLXQL-UHFFFAOYSA-N -1 0 335.272 2.216 20 5 EEBDRM COc1cccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1OC ZINC001607323041 1351474062 /nfs/dbraw/zinc/47/40/62/1351474062.db2.gz YIMKIKKZWICBCV-UHFFFAOYSA-N -1 0 333.300 2.317 20 5 EEBDRM CSCC[C@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC001607399157 1351487520 /nfs/dbraw/zinc/48/75/20/1351487520.db2.gz ZCAGVHMOWSEVDO-LBPRGKRZSA-N -1 0 338.341 2.439 20 5 EEBDRM C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccccc1[N+](=O)[O-] ZINC001607421525 1351492252 /nfs/dbraw/zinc/49/22/52/1351492252.db2.gz KJODQYPMMKFORH-SNVBAGLBSA-N -1 0 329.312 2.108 20 5 EEBDRM Cc1c(C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001607507615 1351507642 /nfs/dbraw/zinc/50/76/42/1351507642.db2.gz BLUZXLYQKBSDRJ-CYBMUJFWSA-N -1 0 344.323 2.035 20 5 EEBDRM Cc1c(NC(=O)N(C)CC2=CCCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607540966 1351512695 /nfs/dbraw/zinc/51/26/95/1351512695.db2.gz LKFCIDOAVRGXJV-UHFFFAOYSA-N -1 0 349.343 2.412 20 5 EEBDRM Cc1c(NC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607545066 1351513543 /nfs/dbraw/zinc/51/35/43/1351513543.db2.gz QZUGVHCXCQRTGN-PWSUYJOCSA-N -1 0 349.343 2.102 20 5 EEBDRM Cc1cc(NC(=O)N[C@]2(CC(=O)[O-])CCCOC2)cc([N+](=O)[O-])c1 ZINC001607684963 1351539183 /nfs/dbraw/zinc/53/91/83/1351539183.db2.gz UUPRIGHDZHZLMS-HNNXBMFYSA-N -1 0 337.332 2.049 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001607826639 1351566427 /nfs/dbraw/zinc/56/64/27/1351566427.db2.gz VHWUUSZFAAUJQR-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1nc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2ccccn12 ZINC001607948649 1351591397 /nfs/dbraw/zinc/59/13/97/1351591397.db2.gz CLZWIAYYARWDPO-UHFFFAOYSA-N -1 0 341.279 2.468 20 5 EEBDRM Cc1nc(COC(=O)Cc2ccccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC001607959025 1351593268 /nfs/dbraw/zinc/59/32/68/1351593268.db2.gz YQKUUPAEWNCUNJ-UHFFFAOYSA-N -1 0 336.325 2.344 20 5 EEBDRM Cc1nsc(C)c1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001608030519 1351609830 /nfs/dbraw/zinc/60/98/30/1351609830.db2.gz NELCCXOODSJSDE-HNNXBMFYSA-N -1 0 349.368 2.398 20 5 EEBDRM CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCC ZINC000839076549 1372891421 /nfs/dbraw/zinc/89/14/21/1372891421.db2.gz JATLFHVSCBIFDM-UHFFFAOYSA-N -1 0 343.405 2.412 20 5 EEBDRM CNC(=O)[C@@H]1CCC[C@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001606261973 1404778231 /nfs/dbraw/zinc/77/82/31/1404778231.db2.gz ICWWKJMFOLEQDJ-WAIVJAFWSA-N -1 0 333.344 2.019 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000175069929 773445251 /nfs/dbraw/zinc/44/52/51/773445251.db2.gz VISHKFZIMHBGKD-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM CCc1ccc([C@H](O)CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000804154037 785541586 /nfs/dbraw/zinc/54/15/86/785541586.db2.gz NUZQXVCQQONQPT-MRXNPFEDSA-N -1 0 330.340 2.326 20 5 EEBDRM C[C@@]1(C(=O)[O-])CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000910479274 786810427 /nfs/dbraw/zinc/81/04/27/786810427.db2.gz HVYCKZALPUWDTR-LBPRGKRZSA-N -1 0 334.250 2.294 20 5 EEBDRM O=C([O-])C[C@]1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCOC1 ZINC000823343380 787700016 /nfs/dbraw/zinc/70/00/16/787700016.db2.gz VKKPMMUEDVIRKM-CQSZACIVSA-N -1 0 342.735 2.002 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000173872747 791916545 /nfs/dbraw/zinc/91/65/45/791916545.db2.gz IKXAKHDHRNMSOV-UHFFFAOYSA-N -1 0 334.353 2.330 20 5 EEBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000916184191 797542206 /nfs/dbraw/zinc/54/22/06/797542206.db2.gz SKTGGWJUBUKTOE-KHPPLWFESA-N -1 0 346.364 2.254 20 5 EEBDRM COc1ccc(C(N)=O)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174504830 797784889 /nfs/dbraw/zinc/78/48/89/797784889.db2.gz HBCMFHZJJSFZQL-UHFFFAOYSA-N -1 0 331.284 2.144 20 5 EEBDRM COC(=O)c1cc(N)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001176675021 798523659 /nfs/dbraw/zinc/52/36/59/798523659.db2.gz QOQGWIUTNGJGFI-UHFFFAOYSA-N -1 0 337.313 2.467 20 5 EEBDRM O=C1CCN1c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000790351195 808615352 /nfs/dbraw/zinc/61/53/52/808615352.db2.gz HWBXOEBJRUMLMD-UHFFFAOYSA-N -1 0 347.352 2.132 20 5 EEBDRM Nc1c(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000345839561 939128417 /nfs/dbraw/zinc/12/84/17/939128417.db2.gz LRROLSATQBXRPQ-ZDUSSCGKSA-N -1 0 349.730 2.386 20 5 EEBDRM O=C([O-])Cn1ccc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001602165836 971160315 /nfs/dbraw/zinc/16/03/15/971160315.db2.gz HDBUIXNSCDPQNP-UHFFFAOYSA-N -1 0 339.695 2.173 20 5 EEBDRM CCCN(C(=O)c1cc(C(=O)[O-])nn1C)c1cccc([N+](=O)[O-])c1 ZINC001589659899 949854765 /nfs/dbraw/zinc/85/47/65/949854765.db2.gz VPZTXCYYUOAQAU-UHFFFAOYSA-N -1 0 332.316 2.083 20 5 EEBDRM CCOc1cc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC001592211618 951315312 /nfs/dbraw/zinc/31/53/12/951315312.db2.gz ULZNMXFKGJCTPF-LLVKDONJSA-N -1 0 339.348 2.472 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001589266191 953371584 /nfs/dbraw/zinc/37/15/84/953371584.db2.gz OMXFURBDLHJFQF-VHSXEESVSA-N -1 0 342.298 2.256 20 5 EEBDRM O=C([O-])c1c(NC(=O)c2ccccc2[N+](=O)[O-])nc2ccccn21 ZINC001594818337 953886325 /nfs/dbraw/zinc/88/63/25/953886325.db2.gz OLJGMMATYHPGOK-UHFFFAOYSA-N -1 0 326.268 2.193 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001593803690 954871855 /nfs/dbraw/zinc/87/18/55/954871855.db2.gz QNBCSWOWNJBKGX-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001574761061 957735243 /nfs/dbraw/zinc/73/52/43/957735243.db2.gz HYCSQXABIHLGDV-SCZZXKLOSA-N -1 0 328.271 2.056 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594381202 958623039 /nfs/dbraw/zinc/62/30/39/958623039.db2.gz OPDICQILZUQZQA-NEPJUHHUSA-N -1 0 336.344 2.420 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC001594409440 958935403 /nfs/dbraw/zinc/93/54/03/958935403.db2.gz CNPBIPINAQZCNH-CYBMUJFWSA-N -1 0 349.387 2.419 20 5 EEBDRM C[C@H](C(=O)[O-])c1noc(-c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC001588603098 959452767 /nfs/dbraw/zinc/45/27/67/959452767.db2.gz MQGBGVDQNHCJMR-QMMMGPOBSA-N -1 0 329.272 2.019 20 5 EEBDRM O=C([O-])c1nn(Cc2cc(Br)ccc2F)cc1[N+](=O)[O-] ZINC000229736588 960090644 /nfs/dbraw/zinc/09/06/44/960090644.db2.gz RLINEYWTMXHADP-UHFFFAOYSA-N -1 0 344.096 2.439 20 5 EEBDRM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574306339 960738416 /nfs/dbraw/zinc/73/84/16/960738416.db2.gz GEHBKYFXFWKYJC-VHSXEESVSA-N -1 0 340.307 2.251 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]cc1C(=O)[O-] ZINC001573809812 960877998 /nfs/dbraw/zinc/87/79/98/960877998.db2.gz WBOOAPKOLMRVDN-SNVBAGLBSA-N -1 0 332.316 2.224 20 5 EEBDRM CC(C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001588816724 961590959 /nfs/dbraw/zinc/59/09/59/961590959.db2.gz MDNMSUKVTUFXJZ-NSHDSACASA-N -1 0 340.351 2.485 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])ccn1 ZINC001574526211 961883697 /nfs/dbraw/zinc/88/36/97/961883697.db2.gz ZACFZYGPPQYSTC-UHFFFAOYSA-N -1 0 333.275 2.398 20 5 EEBDRM CCOc1cc(NC(=O)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCC ZINC001610372874 970733666 /nfs/dbraw/zinc/73/36/66/970733666.db2.gz VAMDTOZLTJOCFZ-MRVPVSSYSA-N -1 0 326.305 2.051 20 5 EEBDRM O=C([O-])C1(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC001605928482 972843550 /nfs/dbraw/zinc/84/35/50/972843550.db2.gz DVLOKNOBUOJEMX-UHFFFAOYSA-N -1 0 326.736 2.162 20 5 EEBDRM O=C([O-])C1(CCn2cc(Br)c(=O)c([N+](=O)[O-])c2)CCC1 ZINC001605949785 972904811 /nfs/dbraw/zinc/90/48/11/972904811.db2.gz BUWLFNWAUWDQQH-UHFFFAOYSA-N -1 0 345.149 2.164 20 5 EEBDRM C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1C(=O)[O-] ZINC001603421677 973133302 /nfs/dbraw/zinc/13/33/02/973133302.db2.gz FHCULMNKSZRIPR-WCBMZHEXSA-N -1 0 325.296 2.308 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001603450361 973252167 /nfs/dbraw/zinc/25/21/67/973252167.db2.gz ULTWRJUPDALZBH-UTUOFQBUSA-N -1 0 335.360 2.408 20 5 EEBDRM CC[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC001603556771 973640130 /nfs/dbraw/zinc/64/01/30/973640130.db2.gz MZLQNLLCKVIWBL-LBPRGKRZSA-N -1 0 335.360 2.380 20 5 EEBDRM C[C@](NC(=O)[C@@H]1CC1(Cl)Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593001994 980213136 /nfs/dbraw/zinc/21/31/36/980213136.db2.gz ADAUSDLPKVJHJG-JOYOIKCWSA-N -1 0 347.154 2.205 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001596304470 983731952 /nfs/dbraw/zinc/73/19/52/983731952.db2.gz XSIMAPMXDWRYBD-SECBINFHSA-N -1 0 344.751 2.339 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001596311133 983738334 /nfs/dbraw/zinc/73/83/34/983738334.db2.gz FPAYCCAZQVKMQS-UHFFFAOYSA-N -1 0 332.259 2.133 20 5 EEBDRM CCOC(=O)N1CC[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001596646110 984659936 /nfs/dbraw/zinc/65/99/36/984659936.db2.gz ISTTZLPJYUENEE-FVOPLDGLSA-N -1 0 349.343 2.335 20 5 EEBDRM C[C@@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC001594560945 986309147 /nfs/dbraw/zinc/30/91/47/986309147.db2.gz CWIYKYRDSHDNQX-BWPRHRIFSA-N -1 0 328.752 2.400 20 5 EEBDRM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001589378655 986447216 /nfs/dbraw/zinc/44/72/16/986447216.db2.gz OQPDLTLUPUQZRQ-JMCQJSRRSA-N -1 0 334.250 2.209 20 5 EEBDRM CCOc1cc(CN(C)[C@@H](COC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001597034152 986467169 /nfs/dbraw/zinc/46/71/69/986467169.db2.gz XBVCHSWAUAUZAN-AWEZNQCLSA-N -1 0 340.376 2.304 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001589712655 987847942 /nfs/dbraw/zinc/84/79/42/987847942.db2.gz DTVRTBLFOSCRLB-CYBMUJFWSA-N -1 0 326.324 2.282 20 5 EEBDRM CCn1nncc1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001597975452 990038349 /nfs/dbraw/zinc/03/83/49/990038349.db2.gz FCDPGDITDSJBPY-UHFFFAOYSA-N -1 0 325.712 2.170 20 5 EEBDRM CN(C)c1ccc(COC(=O)c2c[nH]c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001598320580 991317505 /nfs/dbraw/zinc/31/75/05/991317505.db2.gz HTDRHUQORPSEKJ-UHFFFAOYSA-N -1 0 333.300 2.044 20 5 EEBDRM CC(C)[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCO1 ZINC001591093444 991659420 /nfs/dbraw/zinc/65/94/20/991659420.db2.gz UWUYDXXVRLDKAB-AWEZNQCLSA-N -1 0 336.344 2.180 20 5 EEBDRM CN(Cc1ccccc1)C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001598528114 992745087 /nfs/dbraw/zinc/74/50/87/992745087.db2.gz UOFFBFPJLVDAMZ-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM CN1Cc2cc(Oc3ncc(C(=O)[O-])cc3[N+](=O)[O-])ccc2C1=O ZINC001598630928 994172896 /nfs/dbraw/zinc/17/28/96/994172896.db2.gz VOZFMFZXAXJAMJ-UHFFFAOYSA-N -1 0 329.268 2.066 20 5 EEBDRM CC1(C)CCC[C@@](NC(=O)c2cc([N+](=O)[O-])ccc2N)(C(=O)[O-])C1 ZINC001593892637 996742296 /nfs/dbraw/zinc/74/22/96/996742296.db2.gz QSAIWAHYPDTCKW-INIZCTEOSA-N -1 0 335.360 2.330 20 5 EEBDRM COC(=O)Cc1ccccc1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001598874146 996753130 /nfs/dbraw/zinc/75/31/30/996753130.db2.gz VNOVSCMSZLYVNX-UHFFFAOYSA-N -1 0 345.311 2.016 20 5 EEBDRM COCc1nc(OC)cc(Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001599302638 997258776 /nfs/dbraw/zinc/25/87/76/997258776.db2.gz HSJJUGYEQHVJOI-UHFFFAOYSA-N -1 0 335.272 2.030 20 5 EEBDRM COC1CCN(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC001599117899 997686006 /nfs/dbraw/zinc/68/60/06/997686006.db2.gz QDUDTPFBYXBREU-UHFFFAOYSA-N -1 0 337.332 2.244 20 5 EEBDRM C[C@@]1(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCCC[C@@H]1C(=O)[O-] ZINC001594056161 997796438 /nfs/dbraw/zinc/79/64/38/997796438.db2.gz NVXCORKFKVGTEF-RFAUZJTJSA-N -1 0 339.323 2.079 20 5 EEBDRM COc1cc(OC[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1C(=O)[O-] ZINC001599456228 998192402 /nfs/dbraw/zinc/19/24/02/998192402.db2.gz BEIIPLMZAAAVCE-CQSZACIVSA-N -1 0 333.296 2.414 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccnc(C(=O)[O-])c1 ZINC001598955254 998227628 /nfs/dbraw/zinc/22/76/28/998227628.db2.gz ARRUINLOCMRAJO-UHFFFAOYSA-N -1 0 345.311 2.395 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001599462061 998291383 /nfs/dbraw/zinc/29/13/83/998291383.db2.gz IBJXMFRPIUPENR-ZDUSSCGKSA-N -1 0 336.344 2.367 20 5 EEBDRM COC(=O)c1ccnc(NC[C@@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001599005307 998849838 /nfs/dbraw/zinc/84/98/38/998849838.db2.gz YQCSQFFALCJAQH-GFCCVEGCSA-N -1 0 345.311 2.057 20 5 EEBDRM CCc1cccc(NC(=O)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000160181765 529538703 /nfs/dbraw/zinc/53/87/03/529538703.db2.gz MTXUONAUJXKYHJ-UHFFFAOYSA-N -1 0 343.339 2.231 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000040713298 304110918 /nfs/dbraw/zinc/11/09/18/304110918.db2.gz MTXVLVKJQKJEST-SSDOTTSWSA-N -1 0 330.138 2.053 20 5 EEBDRM COc1cc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)ccc1[N+](=O)[O-] ZINC000261670791 244630791 /nfs/dbraw/zinc/63/07/91/244630791.db2.gz LRPCXIVHZZNURZ-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM C[C@H](CN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000458384036 244807024 /nfs/dbraw/zinc/80/70/24/244807024.db2.gz HVJUXHYFSXJETK-SNVBAGLBSA-N -1 0 338.360 2.350 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262843405 245208734 /nfs/dbraw/zinc/20/87/34/245208734.db2.gz CJWHTXMVNGCIPF-CQSZACIVSA-N -1 0 335.360 2.253 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000263480212 245428464 /nfs/dbraw/zinc/42/84/64/245428464.db2.gz AMBVKBJJQXUMJE-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1(C)C ZINC000262836290 152325348 /nfs/dbraw/zinc/32/53/48/152325348.db2.gz QUMKOULMCCRFKI-AQUOVQTQSA-N -1 0 336.344 2.082 20 5 EEBDRM CCO[C@H]1C[C@@](NC(=O)c2ccc([N+](=O)[O-])s2)(C(=O)[O-])C1(C)C ZINC000262839171 152325496 /nfs/dbraw/zinc/32/54/96/152325496.db2.gz TZOQXADFBIAZOT-LKFCYVNXSA-N -1 0 342.373 2.045 20 5 EEBDRM CCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262975595 152349165 /nfs/dbraw/zinc/34/91/65/152349165.db2.gz MYBHDVJCYBXJOZ-JQWIXIFHSA-N -1 0 336.344 2.176 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000263030122 152360215 /nfs/dbraw/zinc/36/02/15/152360215.db2.gz ONBUHYWOGNWPOW-XVKPBYJWSA-N -1 0 348.327 2.300 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263033442 152360611 /nfs/dbraw/zinc/36/06/11/152360611.db2.gz MWELNNWHVDVZID-FZMZJTMJSA-N -1 0 335.360 2.109 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263033443 152360831 /nfs/dbraw/zinc/36/08/31/152360831.db2.gz MWELNNWHVDVZID-RISCZKNCSA-N -1 0 335.360 2.109 20 5 EEBDRM O=C(c1ccc(F)cc1[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000123432625 292281428 /nfs/dbraw/zinc/28/14/28/292281428.db2.gz KJOIGUCHERHXSY-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000110588368 159360719 /nfs/dbraw/zinc/36/07/19/159360719.db2.gz XBBULIBIIIRFTE-UHFFFAOYSA-N -1 0 348.287 2.029 20 5 EEBDRM Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000237757413 160225172 /nfs/dbraw/zinc/22/51/72/160225172.db2.gz SZHGSUVBUALZDK-AWEZNQCLSA-N -1 0 328.324 2.329 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000238113145 160228033 /nfs/dbraw/zinc/22/80/33/160228033.db2.gz RCSNBVSQUDBLGY-UHFFFAOYSA-N -1 0 338.707 2.172 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1C ZINC000343870575 161176178 /nfs/dbraw/zinc/17/61/78/161176178.db2.gz IDPPPMHJGCLCIL-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM Cc1ccc(NC(=O)CN(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356226284 163371503 /nfs/dbraw/zinc/37/15/03/163371503.db2.gz RJAGTUJHXFDMBT-UHFFFAOYSA-N -1 0 343.339 2.320 20 5 EEBDRM CSCCONC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000279827340 269309921 /nfs/dbraw/zinc/30/99/21/269309921.db2.gz AVDBWKNEWDUKKD-UHFFFAOYSA-N -1 0 334.781 2.428 20 5 EEBDRM CC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)OC ZINC000289520124 275123853 /nfs/dbraw/zinc/12/38/53/275123853.db2.gz MGTHXXCNBRVBNR-QMMMGPOBSA-N -1 0 340.760 2.091 20 5 EEBDRM O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000290761178 275236839 /nfs/dbraw/zinc/23/68/39/275236839.db2.gz BCTQURPQMOQCSX-RDTXWAMCSA-N -1 0 342.351 2.196 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(c2ccncn2)CC1 ZINC000298200140 294444228 /nfs/dbraw/zinc/44/42/28/294444228.db2.gz FYSKYJCCFOZZDE-UHFFFAOYSA-N -1 0 328.328 2.110 20 5 EEBDRM Cc1cc(S(=O)(=O)NC(C)(C)CCC(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC000263567152 301397305 /nfs/dbraw/zinc/39/73/05/301397305.db2.gz XEJILIKSYGDXFT-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1C ZINC000192131395 301859999 /nfs/dbraw/zinc/85/99/99/301859999.db2.gz DSQKSMMUEBCFHS-UHFFFAOYSA-N -1 0 344.286 2.390 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2C(N)=O)c1C ZINC000160896036 301861473 /nfs/dbraw/zinc/86/14/73/301861473.db2.gz NEUBBICOKACEEW-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Nc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000237879380 303495658 /nfs/dbraw/zinc/49/56/58/303495658.db2.gz XHKFRBCXWVYWLM-WFBYXXMGSA-N -1 0 333.344 2.035 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)C=C([O-])c2ccc3c(c2)COC3)cc1 ZINC000357109054 303635656 /nfs/dbraw/zinc/63/56/56/303635656.db2.gz VLUOIPBVGLYIQO-UHFFFAOYSA-N -1 0 347.348 2.282 20 5 EEBDRM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000245756272 303925397 /nfs/dbraw/zinc/92/53/97/303925397.db2.gz YTBHTLKWMHPGAF-KCPJHIHWSA-N -1 0 332.356 2.378 20 5 EEBDRM Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c[nH]c1=O ZINC000158293516 311326626 /nfs/dbraw/zinc/32/66/26/311326626.db2.gz MKRJVSOBFDUJJH-UHFFFAOYSA-N -1 0 343.748 2.046 20 5 EEBDRM C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000321331743 311596721 /nfs/dbraw/zinc/59/67/21/311596721.db2.gz PXQRVDNDNUYUAV-QWRGUYRKSA-N -1 0 344.389 2.153 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000398933321 312450087 /nfs/dbraw/zinc/45/00/87/312450087.db2.gz TWXCUIUKTBFVKS-DTWKUNHWSA-N -1 0 325.296 2.308 20 5 EEBDRM Cc1ccnc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C2CC2)n1 ZINC000436900511 315010954 /nfs/dbraw/zinc/01/09/54/315010954.db2.gz NTDXTKIAXKQNPQ-CQSZACIVSA-N -1 0 328.328 2.280 20 5 EEBDRM CCC[C@@](C)(NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000515838357 316520436 /nfs/dbraw/zinc/52/04/36/316520436.db2.gz UFRYRNMKWWRMSP-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)NCC(C2CC2)C2CC2)c(F)c1 ZINC000525701600 317069066 /nfs/dbraw/zinc/06/90/66/317069066.db2.gz YHMCDHDXEGQKJA-UHFFFAOYSA-N -1 0 328.365 2.448 20 5 EEBDRM CCc1nccn1C[C@@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000542810931 318142638 /nfs/dbraw/zinc/14/26/38/318142638.db2.gz VLTMKVBGYAPAMP-ZDUSSCGKSA-N -1 0 344.371 2.364 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000549088288 318428096 /nfs/dbraw/zinc/42/80/96/318428096.db2.gz BIKMLSBAMKXKGW-UHFFFAOYSA-N -1 0 329.312 2.003 20 5 EEBDRM COc1ccc(CC(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1[N+](=O)[O-] ZINC000553727067 318539631 /nfs/dbraw/zinc/53/96/31/318539631.db2.gz UOIAPWWIZOKQOQ-UHFFFAOYSA-N -1 0 348.311 2.062 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000560467426 318792590 /nfs/dbraw/zinc/79/25/90/318792590.db2.gz XUXQHGCIOISURJ-MRVPVSSYSA-N -1 0 342.764 2.078 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H](CCCO)C1 ZINC000563193637 318982290 /nfs/dbraw/zinc/98/22/90/318982290.db2.gz LKUNUPCQZRGVHI-VIFPVBQESA-N -1 0 328.752 2.188 20 5 EEBDRM Cc1cc(N2CCC(n3ccnn3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000564731191 319105663 /nfs/dbraw/zinc/10/56/63/319105663.db2.gz ASDFWDIAYAMNEB-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000565042502 319142917 /nfs/dbraw/zinc/14/29/17/319142917.db2.gz WZUJCXNYGCGABT-KRWDZBQOSA-N -1 0 344.371 2.352 20 5 EEBDRM Cc1cccc(C[C@H](CO)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000566291104 319270031 /nfs/dbraw/zinc/27/00/31/319270031.db2.gz OOIIHAYHPLKOOK-GFCCVEGCSA-N -1 0 331.328 2.012 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000567844643 319425418 /nfs/dbraw/zinc/42/54/18/319425418.db2.gz WRCOIUHRNWWHME-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(c3cccs3)CC2)n1 ZINC000576470189 320175274 /nfs/dbraw/zinc/17/52/74/320175274.db2.gz ZFEXXKGCBSDFNY-UHFFFAOYSA-N -1 0 334.357 2.076 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2CCN(c3ncc(C(=O)[O-])s3)CC2)c1 ZINC000578993474 323752946 /nfs/dbraw/zinc/75/29/46/323752946.db2.gz VXYJLXZRHPGGCI-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM C[C@H](C(=O)[O-])N(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC1 ZINC000581678409 324303137 /nfs/dbraw/zinc/30/31/37/324303137.db2.gz MQJGLLVHRHSAIB-SNVBAGLBSA-N -1 0 346.343 2.472 20 5 EEBDRM CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000582908221 324555501 /nfs/dbraw/zinc/55/55/01/324555501.db2.gz ORAOKYPDKAIWPZ-LLVKDONJSA-N -1 0 342.373 2.102 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc3ccccn3n2)cc1[N+](=O)[O-] ZINC000517907201 448628417 /nfs/dbraw/zinc/62/84/17/448628417.db2.gz VSYZKOVSOACQQG-UHFFFAOYSA-N -1 0 348.340 2.052 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3ccccn3n2)cc1[N+](=O)[O-] ZINC000551952342 468281876 /nfs/dbraw/zinc/28/18/76/468281876.db2.gz ZCEPJRXNBFVHPR-UHFFFAOYSA-N -1 0 346.368 2.660 20 5 EEBDRM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000063878091 462680312 /nfs/dbraw/zinc/68/03/12/462680312.db2.gz PEGFYQPHJHJFCQ-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CCc1onc(C)c1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000134764338 463079357 /nfs/dbraw/zinc/07/93/57/463079357.db2.gz KIOYJYIACFAWNQ-UHFFFAOYSA-N -1 0 329.309 2.394 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)CCO3)ccc1[O-] ZINC000026543739 463166497 /nfs/dbraw/zinc/16/64/97/463166497.db2.gz PNVVXXLCLIDWBP-UHFFFAOYSA-N -1 0 336.325 2.036 20 5 EEBDRM CC(=O)N1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)ccc21 ZINC000028677336 463230776 /nfs/dbraw/zinc/23/07/76/463230776.db2.gz BONHVIRJXQHBRD-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159420826 463285582 /nfs/dbraw/zinc/28/55/82/463285582.db2.gz GSPJAYHGQRHFCW-UONOGXRCSA-N -1 0 330.344 2.411 20 5 EEBDRM CCc1ncc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cn1 ZINC000161892854 463466385 /nfs/dbraw/zinc/46/63/85/463466385.db2.gz PUBCHUICCSAIHV-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM CCc1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cn1 ZINC000161922760 463468458 /nfs/dbraw/zinc/46/84/58/463468458.db2.gz UBLJPOPKXCDGFO-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)s1 ZINC000083955362 463568632 /nfs/dbraw/zinc/56/86/32/463568632.db2.gz STMGHMDMGBTSFB-UHFFFAOYSA-N -1 0 342.402 2.372 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)cc1[N+](=O)[O-] ZINC000163231273 463573383 /nfs/dbraw/zinc/57/33/83/463573383.db2.gz SWFNCKYXVVTZHN-UHFFFAOYSA-N -1 0 326.334 2.210 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1 ZINC000163959508 463610351 /nfs/dbraw/zinc/61/03/51/463610351.db2.gz UGQYZWOUNRSSPB-UHFFFAOYSA-N -1 0 341.367 2.258 20 5 EEBDRM O=C(NCc1ccc(N2CCCC2)nc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269119243 463880352 /nfs/dbraw/zinc/88/03/52/463880352.db2.gz GWHPYGHVLVKWHW-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM Cc1noc(C2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)n1 ZINC000269135199 463886591 /nfs/dbraw/zinc/88/65/91/463886591.db2.gz CWEQBHWJXGIIPD-UHFFFAOYSA-N -1 0 332.316 2.012 20 5 EEBDRM CN1C(=O)Cc2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])ccc21 ZINC000194716480 463914088 /nfs/dbraw/zinc/91/40/88/463914088.db2.gz LRSCYCGUKIQRBF-UHFFFAOYSA-N -1 0 327.296 2.072 20 5 EEBDRM CC(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262149351 463959098 /nfs/dbraw/zinc/95/90/98/463959098.db2.gz OHOIFAIKQVEZPV-IINYFYTJSA-N -1 0 336.344 2.084 20 5 EEBDRM C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000263363826 464091233 /nfs/dbraw/zinc/09/12/33/464091233.db2.gz SPUSTRWMLDPGHT-NTZNESFSSA-N -1 0 335.360 2.408 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263364334 464092508 /nfs/dbraw/zinc/09/25/08/464092508.db2.gz SSMQYCZUJNRBQI-WDEREUQCSA-N -1 0 336.344 2.176 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000263492177 464115630 /nfs/dbraw/zinc/11/56/30/464115630.db2.gz XAOXWTRDCJQWFF-RQJHMYQMSA-N -1 0 345.149 2.196 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000263542364 464126249 /nfs/dbraw/zinc/12/62/49/464126249.db2.gz RPRIJIXVTBCBRS-JQWIXIFHSA-N -1 0 336.344 2.176 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000237028856 464252778 /nfs/dbraw/zinc/25/27/78/464252778.db2.gz VEJSTGCKINXUPD-YGRLFVJLSA-N -1 0 346.343 2.010 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000272586017 464669843 /nfs/dbraw/zinc/66/98/43/464669843.db2.gz UYHUNBMBXTVXCQ-MRXNPFEDSA-N -1 0 343.339 2.127 20 5 EEBDRM COC(=O)c1coc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1 ZINC000342953264 465410668 /nfs/dbraw/zinc/41/06/68/465410668.db2.gz ATPYOLNAFLHITL-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM Cn1ccc2c(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cccc2c1=O ZINC000337551590 465429628 /nfs/dbraw/zinc/42/96/28/465429628.db2.gz PWNJBAIEJWVQQK-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000339687591 465443757 /nfs/dbraw/zinc/44/37/57/465443757.db2.gz JAPFMJCWALVJLE-UHFFFAOYSA-N -1 0 348.743 2.405 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1 ZINC000356803382 465549634 /nfs/dbraw/zinc/54/96/34/465549634.db2.gz MDAMAMRJHMOGHX-BZNIZROVSA-N -1 0 330.340 2.022 20 5 EEBDRM O=C([O-])c1cc(NC2CCN(c3cccnn3)CC2)ccc1[N+](=O)[O-] ZINC000569107244 468441116 /nfs/dbraw/zinc/44/11/16/468441116.db2.gz QNZOZASCHFLTFN-UHFFFAOYSA-N -1 0 343.343 2.164 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000330780124 465801589 /nfs/dbraw/zinc/80/15/89/465801589.db2.gz NHTYKWGIXCBVHM-KGLIPLIRSA-N -1 0 349.387 2.162 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)[nH]c21 ZINC000357343067 465965513 /nfs/dbraw/zinc/96/55/13/465965513.db2.gz MXPQJPLAAOGRGG-UHFFFAOYSA-N -1 0 348.340 2.286 20 5 EEBDRM COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1OC ZINC000353797672 466157648 /nfs/dbraw/zinc/15/76/48/466157648.db2.gz NAWIVKBTJHZFDU-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM Cc1cn2c(n1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])CCC2 ZINC000372255685 466251709 /nfs/dbraw/zinc/25/17/09/466251709.db2.gz ROYRADHMSUCNOC-NSHDSACASA-N -1 0 330.344 2.113 20 5 EEBDRM O=C(c1cccs1)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338886217 466460129 /nfs/dbraw/zinc/46/01/29/466460129.db2.gz CNEWPJFYRXQBPX-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000320059355 466602821 /nfs/dbraw/zinc/60/28/21/466602821.db2.gz SLZJEOXYCVZRRA-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1F ZINC000323742580 466640643 /nfs/dbraw/zinc/64/06/43/466640643.db2.gz QGKUHWRUDFKNMA-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM O=C(Nc1nnc(C(F)(F)F)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427919216 467186113 /nfs/dbraw/zinc/18/61/13/467186113.db2.gz VTSMEVRVJXHKMN-UHFFFAOYSA-N -1 0 334.235 2.423 20 5 EEBDRM C[S@@](=O)C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000428012532 467193755 /nfs/dbraw/zinc/19/37/55/467193755.db2.gz FDAVSPGJONCNMA-OYLFLEFRSA-N -1 0 348.380 2.150 20 5 EEBDRM O=C([O-])c1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000391749199 467422581 /nfs/dbraw/zinc/42/25/81/467422581.db2.gz FLBXKOPFXGCRMK-UHFFFAOYSA-N -1 0 326.264 2.089 20 5 EEBDRM CN(CCC(=O)[O-])C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000431655877 467531310 /nfs/dbraw/zinc/53/13/10/467531310.db2.gz QTYUZVHJDDSSQY-UHFFFAOYSA-N -1 0 342.326 2.367 20 5 EEBDRM CS(=O)(=O)c1nc2ccccc2n1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000436474560 467538581 /nfs/dbraw/zinc/53/85/81/467538581.db2.gz LSENSJGKTRUVBT-UHFFFAOYSA-N -1 0 347.352 2.102 20 5 EEBDRM COC(=O)c1cccc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436698000 467550903 /nfs/dbraw/zinc/55/09/03/467550903.db2.gz LDTUPYUMSQZGMA-UHFFFAOYSA-N -1 0 344.323 2.060 20 5 EEBDRM O=C(N[C@H]1CCN(c2ccccc2F)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436747487 467553240 /nfs/dbraw/zinc/55/32/40/467553240.db2.gz BDTQTASZXKISEI-LBPRGKRZSA-N -1 0 345.330 2.448 20 5 EEBDRM O=C(Nc1cccc(-c2c[nH]nn2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000442674878 467577040 /nfs/dbraw/zinc/57/70/40/467577040.db2.gz ZVNKISXLCOSOIJ-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CCCN(CCC)S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000531430249 468052069 /nfs/dbraw/zinc/05/20/69/468052069.db2.gz LSMOZVWHUMCTMC-UHFFFAOYSA-N -1 0 345.377 2.072 20 5 EEBDRM Cc1cnc(N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000582907479 468614906 /nfs/dbraw/zinc/61/49/06/468614906.db2.gz IHKPAXXMSNAJJE-JSGCOSHPSA-N -1 0 335.360 2.004 20 5 EEBDRM CC[C@@H](C)C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000570572622 468659566 /nfs/dbraw/zinc/65/95/66/468659566.db2.gz BZOFNQHGMDQGEW-YPMHNXCESA-N -1 0 337.376 2.402 20 5 EEBDRM C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000600800318 468661031 /nfs/dbraw/zinc/66/10/31/468661031.db2.gz KVXLRFZMGVMQAH-MFKMUULPSA-N -1 0 347.371 2.034 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC([C@@H]3CCCCO3)CC2)n1 ZINC000594735225 468667765 /nfs/dbraw/zinc/66/77/65/468667765.db2.gz IIKQLYVVESGUFS-AWEZNQCLSA-N -1 0 335.360 2.474 20 5 EEBDRM O=C([O-])CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC1 ZINC000583332921 468681654 /nfs/dbraw/zinc/68/16/54/468681654.db2.gz YTIHGPNCNAPNSF-UHFFFAOYSA-N -1 0 332.316 2.084 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@]2(CO)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000583633759 468732360 /nfs/dbraw/zinc/73/23/60/468732360.db2.gz UZDDTJGBDXPOQU-DYVFJYSZSA-N -1 0 343.339 2.266 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@]2(CO)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000583633758 468732558 /nfs/dbraw/zinc/73/25/58/468732558.db2.gz UZDDTJGBDXPOQU-CXAGYDPISA-N -1 0 343.339 2.266 20 5 EEBDRM CC(C)Oc1ncccc1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969381 468831327 /nfs/dbraw/zinc/83/13/27/468831327.db2.gz FAGTUOXCVKBZQQ-UHFFFAOYSA-N -1 0 332.316 2.482 20 5 EEBDRM COc1cccc2c1OC[C@@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000592972167 468832147 /nfs/dbraw/zinc/83/21/47/468832147.db2.gz UUFVTVUAXKRKSG-JTQLQIEISA-N -1 0 345.311 2.112 20 5 EEBDRM CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598480275 468880504 /nfs/dbraw/zinc/88/05/04/468880504.db2.gz IVRZPJONWQAKMX-BBRMVZONSA-N -1 0 336.344 2.152 20 5 EEBDRM CN(CC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000610846064 469087307 /nfs/dbraw/zinc/08/73/07/469087307.db2.gz ZDCMWANWIKVHAS-UHFFFAOYSA-N -1 0 349.387 2.277 20 5 EEBDRM O=C([O-])CCN(CC1CC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000610844414 469087605 /nfs/dbraw/zinc/08/76/05/469087605.db2.gz PUNPBPPMFAHUJJ-UHFFFAOYSA-N -1 0 345.355 2.263 20 5 EEBDRM C[C@@]1(C(F)F)CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000596051162 469129089 /nfs/dbraw/zinc/12/90/89/469129089.db2.gz MPSMMQDNNQKUIQ-AWEZNQCLSA-N -1 0 330.287 2.149 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000573664882 469181427 /nfs/dbraw/zinc/18/14/27/469181427.db2.gz WPAFJZPKCDXBAZ-CQSZACIVSA-N -1 0 335.360 2.175 20 5 EEBDRM CC(C)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000563182284 469189687 /nfs/dbraw/zinc/18/96/87/469189687.db2.gz MSJGYWKIHZIQLN-UHFFFAOYSA-N -1 0 327.768 2.120 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)n1 ZINC000563208745 469199961 /nfs/dbraw/zinc/19/99/61/469199961.db2.gz XOMNQTOTHCFXRI-BPLDGKMQSA-N -1 0 339.351 2.994 20 5 EEBDRM CNc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000611464112 469255180 /nfs/dbraw/zinc/25/51/80/469255180.db2.gz XSUPSWPYYJKUFY-CQSZACIVSA-N -1 0 347.302 2.331 20 5 EEBDRM O=C([O-])[C@H]1CCCCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000619541850 469635067 /nfs/dbraw/zinc/63/50/67/469635067.db2.gz BHRHXWPGCQUHKC-CQSZACIVSA-N -1 0 335.360 2.176 20 5 EEBDRM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000614270307 469896733 /nfs/dbraw/zinc/89/67/33/469896733.db2.gz IKFDZEJNWXCXGD-XHDPSFHLSA-N -1 0 330.340 2.195 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000604387698 485651133 /nfs/dbraw/zinc/65/11/33/485651133.db2.gz SJNKOIWCBYHJLX-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000356586460 535287378 /nfs/dbraw/zinc/28/73/78/535287378.db2.gz CYTQTIPKCLFPMO-WCQYABFASA-N -1 0 349.387 2.114 20 5 EEBDRM Cc1c(CNc2ccc(C(=O)NCC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000738288767 576281826 /nfs/dbraw/zinc/28/18/26/576281826.db2.gz GZFMXOUYSAGDCR-UHFFFAOYSA-N -1 0 343.339 2.330 20 5 EEBDRM O=C(CCNC(=O)c1cccc([N+](=O)[O-])c1[O-])OCc1ccccc1 ZINC000769277517 577573896 /nfs/dbraw/zinc/57/38/96/577573896.db2.gz SMUIXSLQCSJGHW-UHFFFAOYSA-N -1 0 344.323 2.164 20 5 EEBDRM O=C(CCCC(F)(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000771254994 577612596 /nfs/dbraw/zinc/61/25/96/577612596.db2.gz XGRNVDYVYJJUHO-UHFFFAOYSA-N -1 0 340.279 2.132 20 5 EEBDRM O=C([O-])Cn1cc(/C=C(\Cl)c2nc3cc([N+](=O)[O-])ccc3o2)nn1 ZINC000759083052 577636793 /nfs/dbraw/zinc/63/67/93/577636793.db2.gz HADLPDSZBZWXSA-OQFOIZHKSA-N -1 0 349.690 2.149 20 5 EEBDRM Cc1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000751553223 577755313 /nfs/dbraw/zinc/75/53/13/577755313.db2.gz MONPFEBIAJBLHF-UHFFFAOYSA-N -1 0 344.330 2.069 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CCn2cc(Cl)cn2)cc([N+](=O)[O-])c1 ZINC000739266621 578046268 /nfs/dbraw/zinc/04/62/68/578046268.db2.gz DCJGCXUOEYLAIL-UHFFFAOYSA-N -1 0 338.707 2.172 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)CC2 ZINC000739524273 578056656 /nfs/dbraw/zinc/05/66/56/578056656.db2.gz AXTQHTUPIMPCRI-ZDUSSCGKSA-N -1 0 343.339 2.403 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCC[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000739622428 578061299 /nfs/dbraw/zinc/06/12/99/578061299.db2.gz BDUPZJRQBJVIRZ-MORRKMRCSA-N -1 0 334.250 2.418 20 5 EEBDRM O=C([O-])CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000739683653 578064163 /nfs/dbraw/zinc/06/41/63/578064163.db2.gz ZVMDGDKQOSECOW-UHFFFAOYSA-N -1 0 348.311 2.361 20 5 EEBDRM O=C([O-])c1ccc(O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000740162229 578083428 /nfs/dbraw/zinc/08/34/28/578083428.db2.gz WSYACCKRKVSMNS-OAHLLOKOSA-N -1 0 342.307 2.477 20 5 EEBDRM CCC/C=C\C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000735202798 578139856 /nfs/dbraw/zinc/13/98/56/578139856.db2.gz DUQQMZYXRLLUJW-SREVYHEPSA-N -1 0 326.374 2.373 20 5 EEBDRM CC(C)(C(=O)[O-])c1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000826126470 600817571 /nfs/dbraw/zinc/81/75/71/600817571.db2.gz COGYOWFZUZGDQK-UHFFFAOYSA-N -1 0 344.327 2.195 20 5 EEBDRM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc1[N+](=O)[O-] ZINC000830232329 601060324 /nfs/dbraw/zinc/06/03/24/601060324.db2.gz ODMQEOQXORETLW-CQSZACIVSA-N -1 0 329.312 2.108 20 5 EEBDRM CC[C@H](NC(=O)NCCSCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000828951765 601334297 /nfs/dbraw/zinc/33/42/97/601334297.db2.gz QZYYBBNGZUSOIH-LBPRGKRZSA-N -1 0 341.389 2.163 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000833252362 601411050 /nfs/dbraw/zinc/41/10/50/601411050.db2.gz LOCAWLHCOQUFFI-BETUJISGSA-N -1 0 347.371 2.036 20 5 EEBDRM Cc1cc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000832860408 601511607 /nfs/dbraw/zinc/51/16/07/601511607.db2.gz WQIFBRFLJXNNAT-UHFFFAOYSA-N -1 0 343.339 2.415 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000821510205 601576642 /nfs/dbraw/zinc/57/66/42/601576642.db2.gz DKWFWTYVZJYYHO-GFCCVEGCSA-N -1 0 332.316 2.084 20 5 EEBDRM O=C([O-])c1ccc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1F ZINC000833317914 601669909 /nfs/dbraw/zinc/66/99/09/601669909.db2.gz PLDCZDXUTNNYKT-UHFFFAOYSA-N -1 0 343.270 2.190 20 5 EEBDRM COc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)n1 ZINC000832404380 601980322 /nfs/dbraw/zinc/98/03/22/601980322.db2.gz XICHYIQALOWBMP-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM CCOC(=O)c1cc(N2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000829872862 602123463 /nfs/dbraw/zinc/12/34/63/602123463.db2.gz BAHNXCNDITUISF-ZDUSSCGKSA-N -1 0 348.355 2.463 20 5 EEBDRM Cc1cc([C@@H](C)OC(=O)c2c([N+](=O)[O-])c(C)nn2C)oc1C(=O)[O-] ZINC000832871498 604572900 /nfs/dbraw/zinc/57/29/00/604572900.db2.gz HQECDYHAVIMQHR-MRVPVSSYSA-N -1 0 337.288 2.154 20 5 EEBDRM CCC(CC)n1ccc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)n1 ZINC000828874923 604799595 /nfs/dbraw/zinc/79/95/95/604799595.db2.gz VDYVWYRQDWFUDZ-UHFFFAOYSA-N -1 0 334.332 2.061 20 5 EEBDRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000833226698 604938468 /nfs/dbraw/zinc/93/84/68/604938468.db2.gz XGLPIUVKYSBWDV-UHFFFAOYSA-N -1 0 331.328 2.430 20 5 EEBDRM CC(C)C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000833479640 605183069 /nfs/dbraw/zinc/18/30/69/605183069.db2.gz DFMYBLNEANWBAN-CYBMUJFWSA-N -1 0 340.401 2.444 20 5 EEBDRM CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833481029 605389171 /nfs/dbraw/zinc/38/91/71/605389171.db2.gz PGTMQAYUHHPSIG-SNVBAGLBSA-N -1 0 344.389 2.396 20 5 EEBDRM CC(C)[C@H](NC(=O)[O-])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833466839 605478151 /nfs/dbraw/zinc/47/81/51/605478151.db2.gz AZPVCOMHBRKQTN-LBPRGKRZSA-N -1 0 343.767 2.199 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CC2)cc([N+](=O)[O-])c1C ZINC000176077697 676850006 /nfs/dbraw/zinc/85/00/06/676850006.db2.gz HZWIEPQXUVLYLK-QWHCGFSZSA-N -1 0 338.385 2.063 20 5 EEBDRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](Nc3ccc(C)cc3[N+](=O)[O-])C2)c1[O-] ZINC001059188386 683139267 /nfs/dbraw/zinc/13/92/67/683139267.db2.gz DRSJRXMHIRARJC-XYPYZODXSA-N -1 0 345.359 2.013 20 5 EEBDRM CCC[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262360827 685651107 /nfs/dbraw/zinc/65/11/07/685651107.db2.gz IVFJKQPSEWBUBB-JTQLQIEISA-N -1 0 344.751 2.387 20 5 EEBDRM CC(C)(C)[S@@](=O)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843796687 1188248042 /nfs/dbraw/zinc/24/80/42/1188248042.db2.gz SNNNFJIDNKJZRS-QFIPXVFZSA-N -1 0 348.808 2.231 20 5 EEBDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000798900845 1206488235 /nfs/dbraw/zinc/48/82/35/1206488235.db2.gz VHFRZPYZSVGXKB-UHFFFAOYSA-N -1 0 334.353 2.163 20 5 EEBDRM O=C(N[C@@H](CO)CC(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778422854 1208251528 /nfs/dbraw/zinc/25/15/28/1208251528.db2.gz OCDGYMXPSREECG-MRVPVSSYSA-N -1 0 342.220 2.116 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1O ZINC000778565991 1208291796 /nfs/dbraw/zinc/29/17/96/1208291796.db2.gz BRBUHUIFGXVTBT-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000155499490 1208328393 /nfs/dbraw/zinc/32/83/93/1208328393.db2.gz OQMDPAZOYISNGQ-SECBINFHSA-N -1 0 332.353 2.365 20 5 EEBDRM O=C([N-]OC1CCCCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000779325845 1209952508 /nfs/dbraw/zinc/95/25/08/1209952508.db2.gz UFOKVHXJZCWYND-OAHLLOKOSA-N -1 0 333.344 2.468 20 5 EEBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2cccc(C(F)(F)F)n2)no1 ZINC001212894199 1214392013 /nfs/dbraw/zinc/39/20/13/1214392013.db2.gz UFCNMMYGIVUHFZ-UHFFFAOYSA-N -1 0 326.194 2.449 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnn(-c2ccc(F)cc2)n1 ZINC000092546566 1214564958 /nfs/dbraw/zinc/56/49/58/1214564958.db2.gz JZRHPEKMJRQKEW-UHFFFAOYSA-N -1 0 343.274 2.273 20 5 EEBDRM CC(C)CCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119960414 1229637199 /nfs/dbraw/zinc/63/71/99/1229637199.db2.gz JQMAPDRPKANMLU-UHFFFAOYSA-N -1 0 334.781 2.489 20 5 EEBDRM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000800382732 1234091009 /nfs/dbraw/zinc/09/10/09/1234091009.db2.gz HZOOGHHDEPOSQH-LLVKDONJSA-N -1 0 328.390 2.367 20 5 EEBDRM Cn1ccnc1S(=O)(=O)[N-]c1cccc2nc3ccccc3nc12 ZINC001193597775 1282624214 /nfs/dbraw/zinc/62/42/14/1282624214.db2.gz IITYSVVPVQJKFL-UHFFFAOYSA-N -1 0 339.380 2.317 20 5 EEBDRM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C(F)F ZINC000867317633 1285645866 /nfs/dbraw/zinc/64/58/66/1285645866.db2.gz FVDHLARQADTRRR-MRVPVSSYSA-N -1 0 326.296 2.364 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2[N+](=O)[O-])ccc1N ZINC001210953358 1295595726 /nfs/dbraw/zinc/59/57/26/1295595726.db2.gz HKNGZTHQRXWVHC-UHFFFAOYSA-N -1 0 325.321 2.425 20 5 EEBDRM Nc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC001216484650 1297189324 /nfs/dbraw/zinc/18/93/24/1297189324.db2.gz LRGVKJFTGIWHRP-UHFFFAOYSA-N -1 0 329.284 2.256 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CC[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001226651814 1301494742 /nfs/dbraw/zinc/49/47/42/1301494742.db2.gz IYOSLBXHZAZCCW-IWSPIJDZSA-N -1 0 325.321 2.081 20 5 EEBDRM O=c1[n-]c(C2CC2)nc(OC2CN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228605393 1302334442 /nfs/dbraw/zinc/33/44/42/1302334442.db2.gz FXULXLPRWOFZCE-UHFFFAOYSA-N -1 0 342.355 2.231 20 5 EEBDRM COC(=O)[C@H](Cc1ccccc1)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228970666 1302551702 /nfs/dbraw/zinc/55/17/02/1302551702.db2.gz KDUHGSYIGAPPBB-AWEZNQCLSA-N -1 0 333.296 2.169 20 5 EEBDRM COC(=O)[C@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC001228971983 1302553903 /nfs/dbraw/zinc/55/39/03/1302553903.db2.gz TZCRRUAZSKJVBH-CQSZACIVSA-N -1 0 337.259 2.438 20 5 EEBDRM C[C@](O)(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000780678258 1303684644 /nfs/dbraw/zinc/68/46/44/1303684644.db2.gz MFECLRYWLSXRJR-INIZCTEOSA-N -1 0 334.303 2.077 20 5 EEBDRM O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780684991 1303685774 /nfs/dbraw/zinc/68/57/74/1303685774.db2.gz RSUNOGMSXLDLSR-FRRDWIJNSA-N -1 0 340.426 2.410 20 5 EEBDRM O=C(NCCCF)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798175683 1304938330 /nfs/dbraw/zinc/93/83/30/1304938330.db2.gz QUSOIKMUVMPZHQ-UHFFFAOYSA-N -1 0 342.714 2.229 20 5 EEBDRM CCc1ccc(S(=O)(=O)N[C@@](C)(CC)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000829830176 1314518273 /nfs/dbraw/zinc/51/82/73/1314518273.db2.gz OKEXUKUJPJRWOU-AWEZNQCLSA-N -1 0 344.389 2.079 20 5 EEBDRM C/C=C(\CC)C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842403522 1315698415 /nfs/dbraw/zinc/69/84/15/1315698415.db2.gz DRFBXCBLIZIIIN-NYYWCZLTSA-N -1 0 326.374 2.206 20 5 EEBDRM CCOC(=O)C(C)(C)O[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001261741355 1322171016 /nfs/dbraw/zinc/17/10/16/1322171016.db2.gz LGOAZAPELCSTHE-UHFFFAOYSA-N -1 0 346.286 2.076 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(N)ccc1C ZINC001210447067 1325289040 /nfs/dbraw/zinc/28/90/40/1325289040.db2.gz VPASQMPTBNSEPM-UHFFFAOYSA-N -1 0 337.357 2.295 20 5 EEBDRM O=C([O-])c1ccc(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)c(F)c1 ZINC001602361003 1350504048 /nfs/dbraw/zinc/50/40/48/1350504048.db2.gz WCEIWKLALTXVTR-UHFFFAOYSA-N -1 0 343.274 2.134 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(CC(=O)[O-])CCCCC2)n1 ZINC001607709617 1351543990 /nfs/dbraw/zinc/54/39/90/1351543990.db2.gz LQROGUVKVKCFOZ-UHFFFAOYSA-N -1 0 335.360 2.453 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccccc1CC(=O)[O-] ZINC001608272217 1351660273 /nfs/dbraw/zinc/66/02/73/1351660273.db2.gz UFEYZNZBXKBJMX-UHFFFAOYSA-N -1 0 330.296 2.161 20 5 EEBDRM Cc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001309739531 1331640465 /nfs/dbraw/zinc/64/04/65/1331640465.db2.gz NGHFEKZCCRSSIF-UHFFFAOYSA-N -1 0 341.776 2.430 20 5 EEBDRM O=C([O-])CCCONC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001608716377 1351748172 /nfs/dbraw/zinc/74/81/72/1351748172.db2.gz JYVFFQKRYHOTON-UHFFFAOYSA-N -1 0 337.115 2.428 20 5 EEBDRM O=C([O-])COc1cccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC001608764179 1351757710 /nfs/dbraw/zinc/75/77/10/1351757710.db2.gz JSJNZHMGKACOQD-UHFFFAOYSA-N -1 0 348.286 2.379 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@@]23CCOC3)cc([N+](=O)[O-])c1 ZINC001608835263 1351774819 /nfs/dbraw/zinc/77/48/19/1351774819.db2.gz BJOLWMRSLXIELS-INIZCTEOSA-N -1 0 334.328 2.078 20 5 EEBDRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001326171294 1334037054 /nfs/dbraw/zinc/03/70/54/1334037054.db2.gz CQICXUQAVQSSMH-GXFFZTMASA-N -1 0 340.401 2.472 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])c1ncoc1[C@@H]1CCCO1 ZINC001328187706 1334411705 /nfs/dbraw/zinc/41/17/05/1334411705.db2.gz POIFYAGMMONFML-LBPRGKRZSA-N -1 0 334.284 2.497 20 5 EEBDRM C[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])c1nncn1C ZINC001609747024 1352075936 /nfs/dbraw/zinc/07/59/36/1352075936.db2.gz UILIZKNKGOUZAK-SSDOTTSWSA-N -1 0 339.739 2.291 20 5 EEBDRM CCC[C@](C)(CO)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001609951463 1352127567 /nfs/dbraw/zinc/12/75/67/1352127567.db2.gz SVPZYVGYAHTJSX-OAHLLOKOSA-N -1 0 339.348 2.274 20 5 EEBDRM CCCOc1cccc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)c1 ZINC001609980894 1352133942 /nfs/dbraw/zinc/13/39/42/1352133942.db2.gz AFSOVDSAEABWOA-UHFFFAOYSA-N -1 0 332.312 2.292 20 5 EEBDRM CCc1nc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001610072158 1352155558 /nfs/dbraw/zinc/15/55/58/1352155558.db2.gz CJTNCASKTDJZHA-UHFFFAOYSA-N -1 0 336.329 2.146 20 5 EEBDRM CCn1ncnc1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610086457 1352159134 /nfs/dbraw/zinc/15/91/34/1352159134.db2.gz PUNFEHDJRAZARV-UHFFFAOYSA-N -1 0 325.712 2.170 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001610347880 1352208997 /nfs/dbraw/zinc/20/89/97/1352208997.db2.gz NDAQHDQTIDVTKR-BLLLJJGKSA-N -1 0 336.344 2.367 20 5 EEBDRM CSC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001610382505 1352213921 /nfs/dbraw/zinc/21/39/21/1352213921.db2.gz IMAVCYVRLPQVSX-ZETCQYMHSA-N -1 0 327.362 2.474 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)cc([N+](=O)[O-])c1 ZINC001610809500 1352278526 /nfs/dbraw/zinc/27/85/26/1352278526.db2.gz OFWYUYSLSUTTKV-RHSMWYFYSA-N -1 0 346.339 2.077 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3ccncn3)C2)c1 ZINC001610841929 1352283546 /nfs/dbraw/zinc/28/35/46/1352283546.db2.gz KYFZEZIHLHYJQQ-LBPRGKRZSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1coc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001610870636 1352288378 /nfs/dbraw/zinc/28/83/78/1352288378.db2.gz MICTUXLVXXKJBQ-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1cccnc1-c1nn[nH]n1 ZINC001593480853 1349812940 /nfs/dbraw/zinc/81/29/40/1349812940.db2.gz AFXLTMVHUFMIIS-UHFFFAOYSA-N -1 0 330.329 2.168 20 5 EEBDRM Cc1c(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001600050948 1349962603 /nfs/dbraw/zinc/96/26/03/1349962603.db2.gz LMEBIOVOVKMQTA-UHFFFAOYSA-N -1 0 329.312 2.312 20 5 EEBDRM Cc1cc(Cc2noc(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)n2)no1 ZINC001600215791 1349994995 /nfs/dbraw/zinc/99/49/95/1349994995.db2.gz GQNPZGJEIHJZHZ-UHFFFAOYSA-N -1 0 330.256 2.230 20 5 EEBDRM Cc1cc(NCCc2ccc(O)c(CO)c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600280535 1350009963 /nfs/dbraw/zinc/00/99/63/1350009963.db2.gz OUTRIIHJWJEHHW-UHFFFAOYSA-N -1 0 346.339 2.454 20 5 EEBDRM Cc1cc(NCc2nc3cc(C(=O)[O-])ccc3[nH]2)ncc1[N+](=O)[O-] ZINC001600283555 1350010425 /nfs/dbraw/zinc/01/04/25/1350010425.db2.gz XFCZPCFNIXHDKM-UHFFFAOYSA-N -1 0 327.300 2.485 20 5 EEBDRM Cc1cc(NCc2ncc3c(n2)CCC3)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600283608 1350010790 /nfs/dbraw/zinc/01/07/90/1350010790.db2.gz ZZMYUSMRKLYKIK-UHFFFAOYSA-N -1 0 328.328 2.492 20 5 EEBDRM Cc1oc(CN(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1C(=O)[O-] ZINC001600304293 1350015656 /nfs/dbraw/zinc/01/56/56/1350015656.db2.gz VGECFEOJPGAFCG-UHFFFAOYSA-N -1 0 333.300 2.170 20 5 EEBDRM Cc1ccc(NC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)cc1[N+](=O)[O-] ZINC001600452145 1350055638 /nfs/dbraw/zinc/05/56/38/1350055638.db2.gz VMQGVOKYFSOMJB-OAHLLOKOSA-N -1 0 337.332 2.049 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001600487655 1350063206 /nfs/dbraw/zinc/06/32/06/1350063206.db2.gz JJYYAZFJCLXGNH-CQSZACIVSA-N -1 0 330.296 2.165 20 5 EEBDRM Cc1ccccc1OC[C@H](O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001600585948 1350090221 /nfs/dbraw/zinc/09/02/21/1350090221.db2.gz RDCVDFMJWITUAH-GFCCVEGCSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1nccn1CCCCOC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600756366 1350129420 /nfs/dbraw/zinc/12/94/20/1350129420.db2.gz DCPZUHXJPQSEQP-UHFFFAOYSA-N -1 0 347.327 2.435 20 5 EEBDRM Cc1sc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC001600888898 1350160955 /nfs/dbraw/zinc/16/09/55/1350160955.db2.gz RXRVGLJTMPJGPD-UHFFFAOYSA-N -1 0 336.329 2.201 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001600904057 1350163823 /nfs/dbraw/zinc/16/38/23/1350163823.db2.gz KMVMEYXHOGPSST-UHFFFAOYSA-N -1 0 331.328 2.297 20 5 EEBDRM Cn1cc(Cl)c(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n1 ZINC001600957130 1350176641 /nfs/dbraw/zinc/17/66/41/1350176641.db2.gz SBVIAGHHQHYIKC-AWEZNQCLSA-N -1 0 338.751 2.071 20 5 EEBDRM Cn1nc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1C1CC1 ZINC001601007667 1350188158 /nfs/dbraw/zinc/18/81/58/1350188158.db2.gz YWSPKYHTOGLVOO-UHFFFAOYSA-N -1 0 331.284 2.123 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC001601330042 1350258808 /nfs/dbraw/zinc/25/88/08/1350258808.db2.gz IBBSDTCRRUPUQK-UHFFFAOYSA-N -1 0 330.296 2.448 20 5 EEBDRM O=C([O-])c1sccc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001601391079 1350272108 /nfs/dbraw/zinc/27/21/08/1350272108.db2.gz IZEJAPHIUJXVEL-UHFFFAOYSA-N -1 0 346.324 2.343 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC001601469551 1350290866 /nfs/dbraw/zinc/29/08/66/1350290866.db2.gz DPCJDHUKHMOOET-UHFFFAOYSA-N -1 0 332.234 2.208 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001601528342 1350300642 /nfs/dbraw/zinc/30/06/42/1350300642.db2.gz FMRMRQAOIIQGLT-DGCLKSJQSA-N -1 0 341.323 2.107 20 5 EEBDRM O=C([O-])C12CC(C1)CN2c1ccc([N+](=O)[O-])cc1Br ZINC001601730543 1350349805 /nfs/dbraw/zinc/34/98/05/1350349805.db2.gz GZBNGUGVTGRRPA-UHFFFAOYSA-N -1 0 327.134 2.411 20 5 EEBDRM O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC001601874572 1350387145 /nfs/dbraw/zinc/38/71/45/1350387145.db2.gz OYYGTYWGMOVEMV-HNNXBMFYSA-N -1 0 342.307 2.255 20 5 EEBDRM O=C([O-])CN(CCC(F)(F)F)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001602055937 1350428172 /nfs/dbraw/zinc/42/81/72/1350428172.db2.gz XVELUBLAWNGHQB-UHFFFAOYSA-N -1 0 344.249 2.381 20 5 EEBDRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001602105481 1350438875 /nfs/dbraw/zinc/43/88/75/1350438875.db2.gz OCFHYRPABBQKCB-PMOUVXMZSA-N -1 0 332.356 2.458 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001602204518 1350464638 /nfs/dbraw/zinc/46/46/38/1350464638.db2.gz OJZQZHNLZHBMPF-MBTKJCJQSA-N -1 0 345.138 2.304 20 5 EEBDRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001602209996 1350466992 /nfs/dbraw/zinc/46/69/92/1350466992.db2.gz QOONAIURXYGROL-QJPTWQEYSA-N -1 0 340.282 2.019 20 5 EEBDRM O=C([O-])c1cc(NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)ncn1 ZINC001602286057 1350486308 /nfs/dbraw/zinc/48/63/08/1350486308.db2.gz WQJFFZDGPWDJEG-UHFFFAOYSA-N -1 0 342.315 2.004 20 5 EEBDRM O=C([O-])c1ccc(OCC[S@](=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001602390760 1350509078 /nfs/dbraw/zinc/50/90/78/1350509078.db2.gz MFTLYYNDEWIWFG-QHCPKHFHSA-N -1 0 335.337 2.480 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](n2cncn2)C(F)(F)F)c1 ZINC001602405454 1350511896 /nfs/dbraw/zinc/51/18/96/1350511896.db2.gz XEVOHJGHTXQEGY-SNVBAGLBSA-N -1 0 345.237 2.100 20 5 EEBDRM O=C([O-])c1ccc2c(n1)CCCN2C(=O)c1csc([N+](=O)[O-])c1 ZINC001602427531 1350516991 /nfs/dbraw/zinc/51/69/91/1350516991.db2.gz SANQZQOIGBZGDF-UHFFFAOYSA-N -1 0 333.325 2.343 20 5 EEBDRM O=C([O-])c1ccccc1S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001602474253 1350527253 /nfs/dbraw/zinc/52/72/53/1350527253.db2.gz FKCKWVBZDYMLNY-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001602610053 1350556575 /nfs/dbraw/zinc/55/65/75/1350556575.db2.gz LPOLIHMTKGVVQM-KOLCDFICSA-N -1 0 337.284 2.124 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001602622031 1350559375 /nfs/dbraw/zinc/55/93/75/1350559375.db2.gz NSKQVOWXSQYNAO-GODPOGMQSA-N -1 0 330.340 2.307 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)COC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001603242709 1350670189 /nfs/dbraw/zinc/67/01/89/1350670189.db2.gz XBUJRFMPSGAHKQ-UHFFFAOYSA-N -1 0 329.692 2.085 20 5 EEBDRM CC(C)CC1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001603271487 1350675866 /nfs/dbraw/zinc/67/58/66/1350675866.db2.gz XOMQJWRGKBEWBH-UHFFFAOYSA-N -1 0 331.380 2.432 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC001603286416 1350679961 /nfs/dbraw/zinc/67/99/61/1350679961.db2.gz LVYKBIFZBNJBBB-UHFFFAOYSA-N -1 0 333.304 2.255 20 5 EEBDRM CC(C)C[C@@H](NC(=O)CSc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001603783111 1350766761 /nfs/dbraw/zinc/76/67/61/1350766761.db2.gz PEBIZUBRMCVZDT-GFCCVEGCSA-N -1 0 326.374 2.302 20 5 EEBDRM C[C@](NC(=O)Cc1ccc(F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604276756 1350907435 /nfs/dbraw/zinc/90/74/35/1350907435.db2.gz DMXPMJVCBCNEDT-QGZVFWFLSA-N -1 0 346.314 2.393 20 5 EEBDRM C[C@](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)(C(=O)[O-])c1ccccc1 ZINC001604307396 1350912630 /nfs/dbraw/zinc/91/26/30/1350912630.db2.gz GVODDRDRWBZZAS-MRXNPFEDSA-N -1 0 347.302 2.046 20 5 EEBDRM CC[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(=O)[O-] ZINC001605086822 1351075110 /nfs/dbraw/zinc/07/51/10/1351075110.db2.gz AAQQRVRHXSRTGM-GFCCVEGCSA-N -1 0 329.312 2.250 20 5 EEBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001605129089 1351082840 /nfs/dbraw/zinc/08/28/40/1351082840.db2.gz VPFCGURXRLXFQA-LBPRGKRZSA-N -1 0 346.343 2.006 20 5 EEBDRM CCCCC[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC001605258169 1351117748 /nfs/dbraw/zinc/11/77/48/1351117748.db2.gz HRMBTKRWSBKVMN-GFCCVEGCSA-N -1 0 326.324 2.426 20 5 EEBDRM CCc1nnc(C)cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001605868180 1351242063 /nfs/dbraw/zinc/24/20/63/1351242063.db2.gz MWUKXBHGFWPVQR-UHFFFAOYSA-N -1 0 330.300 2.206 20 5 EEBDRM CON1CCC(N(C)c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001606994525 1351394215 /nfs/dbraw/zinc/39/42/15/1351394215.db2.gz JUNXTMOPFKJPGW-UHFFFAOYSA-N -1 0 343.767 2.408 20 5 EEBDRM COc1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c([N+](=O)[O-])cc1F ZINC001607158348 1351440489 /nfs/dbraw/zinc/44/04/89/1351440489.db2.gz YKBWLRRCNWTMFS-NSHDSACASA-N -1 0 338.335 2.429 20 5 EEBDRM Cc1c(CC(=O)OCc2nc(C(=O)[O-])cs2)cccc1[N+](=O)[O-] ZINC001607526446 1351511003 /nfs/dbraw/zinc/51/10/03/1351511003.db2.gz NFKIJMHNFMMKOL-UHFFFAOYSA-N -1 0 336.325 2.344 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)c1C ZINC001607824753 1351566017 /nfs/dbraw/zinc/56/60/17/1351566017.db2.gz FDLATDWJQGQTJX-NSHDSACASA-N -1 0 338.385 2.101 20 5 EEBDRM Cn1ncc2c1CC(C)(C)CN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC001608160579 1351637816 /nfs/dbraw/zinc/63/78/16/1351637816.db2.gz OOPFDYXMQUIFSJ-UHFFFAOYSA-N -1 0 345.359 2.010 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001608459971 1351699486 /nfs/dbraw/zinc/69/94/86/1351699486.db2.gz FZJPVXXECWQBAJ-RNFRBKRXSA-N -1 0 332.234 2.064 20 5 EEBDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)CC2CC2)cc1[N+](=O)[O-] ZINC000784508737 1371411729 /nfs/dbraw/zinc/41/17/29/1371411729.db2.gz CPCSIOFCKSEDDB-UHFFFAOYSA-N -1 0 326.374 2.188 20 5 EEBDRM O=C([O-])c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000920043924 770521014 /nfs/dbraw/zinc/52/10/14/770521014.db2.gz WQOMBNVGFVTVGS-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(F)c(F)c1 ZINC000112160578 775405048 /nfs/dbraw/zinc/40/50/48/775405048.db2.gz PNBTXBRKEFCQAW-UHFFFAOYSA-N -1 0 348.308 2.053 20 5 EEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1 ZINC000112160647 775486935 /nfs/dbraw/zinc/48/69/35/775486935.db2.gz FCDBBKUDWDNAPZ-UHFFFAOYSA-N -1 0 326.355 2.083 20 5 EEBDRM COc1ccc(CSCC(=O)[N-]OCC2CC2)cc1[N+](=O)[O-] ZINC000817362102 784740013 /nfs/dbraw/zinc/74/00/13/784740013.db2.gz HMYYNCLIGBYWHO-UHFFFAOYSA-N -1 0 326.374 2.294 20 5 EEBDRM Cc1cc([C@@](C)(O)CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c(C)o1 ZINC000844209952 788927717 /nfs/dbraw/zinc/92/77/17/788927717.db2.gz MEASKCLNUPRRTD-HNNXBMFYSA-N -1 0 335.316 2.217 20 5 EEBDRM C[C@](O)(CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000844209556 788928950 /nfs/dbraw/zinc/92/89/50/788928950.db2.gz GUGXRGBKDWNKQZ-INIZCTEOSA-N -1 0 331.328 2.398 20 5 EEBDRM Cc1cc(C)cc([C@H](O)CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000844212356 788931065 /nfs/dbraw/zinc/93/10/65/788931065.db2.gz GZRVOEHXWUEWBQ-CQSZACIVSA-N -1 0 331.328 2.450 20 5 EEBDRM Cn1ccnc1[C@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844215991 788934844 /nfs/dbraw/zinc/93/48/44/788934844.db2.gz VZWOHOQARMZVSX-ZDUSSCGKSA-N -1 0 344.371 2.339 20 5 EEBDRM NC(=O)c1nc(Cl)ccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176672647 798523332 /nfs/dbraw/zinc/52/33/32/798523332.db2.gz PPBYPXRDJOMXBE-UHFFFAOYSA-N -1 0 336.691 2.184 20 5 EEBDRM O=C(OCc1nc(Cc2cccc(F)c2)no1)c1ccc([N+](=O)[O-])[n-]1 ZINC000789724756 808159947 /nfs/dbraw/zinc/15/99/47/808159947.db2.gz XMMWMDPNHBNOEX-UHFFFAOYSA-N -1 0 346.274 2.393 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000809063325 812952996 /nfs/dbraw/zinc/95/29/96/812952996.db2.gz LUNWBNOVVODKNN-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)cn1 ZINC001594820532 953893732 /nfs/dbraw/zinc/89/37/32/953893732.db2.gz ALVPVBVJHYIFHX-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM Cc1cc(C(=O)[O-])cc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 ZINC001594281312 957746715 /nfs/dbraw/zinc/74/67/15/957746715.db2.gz GKGOCSDAFBVROA-UHFFFAOYSA-N -1 0 329.272 2.052 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC001574819082 957898622 /nfs/dbraw/zinc/89/86/22/957898622.db2.gz XJDYNQSSBOEVLG-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM Cc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001594361073 958449604 /nfs/dbraw/zinc/44/96/04/958449604.db2.gz GGUGBJYSXDHMHP-MFKMUULPSA-N -1 0 335.360 2.155 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC001594381369 958625661 /nfs/dbraw/zinc/62/56/61/958625661.db2.gz VNHBENOCKKWTRX-UHFFFAOYSA-N -1 0 336.344 2.186 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC001574538455 961932602 /nfs/dbraw/zinc/93/26/02/961932602.db2.gz OFXPPEFWKFBJBJ-UHFFFAOYSA-N -1 0 332.287 2.291 20 5 EEBDRM C[C@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC001605042433 972657628 /nfs/dbraw/zinc/65/76/28/972657628.db2.gz JZJNESCVCALFPJ-VKHMYHEASA-N -1 0 325.079 2.244 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001603450356 973251500 /nfs/dbraw/zinc/25/15/00/973251500.db2.gz ULTWRJUPDALZBH-QJPTWQEYSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C([O-])c1cccnc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001605682350 974099030 /nfs/dbraw/zinc/09/90/30/974099030.db2.gz WLRPDJNRSJLZFR-UHFFFAOYSA-N -1 0 331.284 2.096 20 5 EEBDRM CC(C)n1ccnc1C(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592142845 976991133 /nfs/dbraw/zinc/99/11/33/976991133.db2.gz PVKMFVXWDBFYTA-UHFFFAOYSA-N -1 0 333.300 2.332 20 5 EEBDRM COc1ccc(OC(=O)Cc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000833733384 979234299 /nfs/dbraw/zinc/23/42/99/979234299.db2.gz GGCNGJPMCMAXSA-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM C[C@@](NC(=O)[C@@H]1CC1(Cl)Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593001991 980213365 /nfs/dbraw/zinc/21/33/65/980213365.db2.gz ADAUSDLPKVJHJG-CABZTGNLSA-N -1 0 347.154 2.205 20 5 EEBDRM CC[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H](C)C(=O)[O-] ZINC001595353628 980683772 /nfs/dbraw/zinc/68/37/72/980683772.db2.gz TWTLWJSDPXWWAY-QMTHXVAHSA-N -1 0 347.327 2.437 20 5 EEBDRM CCC[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OCC ZINC001595594164 981560249 /nfs/dbraw/zinc/56/02/49/981560249.db2.gz MUGHQNMUMOZHFB-SECBINFHSA-N -1 0 325.321 2.079 20 5 EEBDRM CC[C@@H](C)C[C@@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C(=O)[O-] ZINC001594952662 982671701 /nfs/dbraw/zinc/67/17/01/982671701.db2.gz KYUFQBOJPYALHB-LDYMZIIASA-N -1 0 339.348 2.386 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001594975798 982752984 /nfs/dbraw/zinc/75/29/84/982752984.db2.gz VFIHWNCLWXZEGY-ZCFIWIBFSA-N -1 0 347.730 2.295 20 5 EEBDRM CCOC(=O)[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC001596576208 984483011 /nfs/dbraw/zinc/48/30/11/984483011.db2.gz OYGMEFGPXWUFKO-NSHDSACASA-N -1 0 336.344 2.381 20 5 EEBDRM CC(=O)OCC(C)(C)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001589229797 985770287 /nfs/dbraw/zinc/77/02/87/985770287.db2.gz XBHLZPUKPZHISJ-UHFFFAOYSA-N -1 0 338.316 2.211 20 5 EEBDRM CC(=O)c1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])nc1C ZINC001589283091 986007323 /nfs/dbraw/zinc/00/73/23/986007323.db2.gz BFNQLAXWNZCHQD-UHFFFAOYSA-N -1 0 330.300 2.206 20 5 EEBDRM CCOc1ccc(C(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC001597055453 986529850 /nfs/dbraw/zinc/52/98/50/986529850.db2.gz ABSPOIAUUPBHTC-SNVBAGLBSA-N -1 0 336.344 2.461 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC001597142881 986893777 /nfs/dbraw/zinc/89/37/77/986893777.db2.gz OKLZPPCBZQPBEI-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])n1 ZINC001597899763 989772061 /nfs/dbraw/zinc/77/20/61/989772061.db2.gz RCEBQNBOSMEMJY-UHFFFAOYSA-N -1 0 332.316 2.379 20 5 EEBDRM CCn1cccc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597911226 989808422 /nfs/dbraw/zinc/80/84/22/989808422.db2.gz PFCBRGSOQVKFRB-INIZCTEOSA-N -1 0 331.328 2.146 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@H](C(=O)[O-])c1ccccc1 ZINC001598088310 990425287 /nfs/dbraw/zinc/42/52/87/990425287.db2.gz MGETWAAHIDHPNM-AWEZNQCLSA-N -1 0 329.312 2.075 20 5 EEBDRM C[S@@](=O)c1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001599781355 992368323 /nfs/dbraw/zinc/36/83/23/992368323.db2.gz XEQUQYUQQLQOSU-HSZRJFAPSA-N -1 0 335.341 2.038 20 5 EEBDRM CC(C)Cn1nccc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001591532866 992707410 /nfs/dbraw/zinc/70/74/10/992707410.db2.gz DEWJFLCSRHASBU-UHFFFAOYSA-N -1 0 333.300 2.365 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001591581274 992789917 /nfs/dbraw/zinc/78/99/17/992789917.db2.gz DNFLMZHZKKXECJ-UHFFFAOYSA-N -1 0 330.287 2.127 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ncc(C(=O)[O-])s1 ZINC001593171748 994034254 /nfs/dbraw/zinc/03/42/54/994034254.db2.gz FMHYAIYTUMPFLB-RXMQYKEDSA-N -1 0 327.343 2.302 20 5 EEBDRM C[C@](NC(=O)c1cccc(F)c1N)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593175461 994045971 /nfs/dbraw/zinc/04/59/71/994045971.db2.gz NIMTVYDQXSJGLE-MRXNPFEDSA-N -1 0 347.302 2.046 20 5 EEBDRM C[C@@](O)(CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001593417460 995205683 /nfs/dbraw/zinc/20/56/83/995205683.db2.gz UDFYVSLMRSUSQO-OAHLLOKOSA-N -1 0 335.291 2.147 20 5 EEBDRM C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1cc(C(=O)[O-])co1 ZINC001593485370 995447517 /nfs/dbraw/zinc/44/75/17/995447517.db2.gz QSTWQVPEXCPYBT-QMMMGPOBSA-N -1 0 337.288 2.122 20 5 EEBDRM C[C@@]12COC[C@@H]1CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)C2 ZINC001594090979 998041155 /nfs/dbraw/zinc/04/11/55/998041155.db2.gz WGMRKWQELVGAFT-RMLUDKJBSA-N -1 0 326.736 2.419 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC001599461905 998287505 /nfs/dbraw/zinc/28/75/05/998287505.db2.gz FRXINGVQFHTFIL-UHFFFAOYSA-N -1 0 331.328 2.329 20 5 EEBDRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001598963007 998367453 /nfs/dbraw/zinc/36/74/53/998367453.db2.gz PMHNGGDCPDHHQY-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM CCc1cnc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000174021070 529664001 /nfs/dbraw/zinc/66/40/01/529664001.db2.gz UQEUBUAYRYMISA-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000236442397 304110493 /nfs/dbraw/zinc/11/04/93/304110493.db2.gz UXUOVDVOUDAGMS-SSDOTTSWSA-N -1 0 330.138 2.053 20 5 EEBDRM CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000236745010 242343218 /nfs/dbraw/zinc/34/32/18/242343218.db2.gz SVAOVKYFELRAFC-JTQLQIEISA-N -1 0 345.149 2.196 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000263392938 296104806 /nfs/dbraw/zinc/10/48/06/296104806.db2.gz DBPGQXVWXAZLBX-RNFRBKRXSA-N -1 0 334.250 2.453 20 5 EEBDRM CN(CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000262835046 245202949 /nfs/dbraw/zinc/20/29/49/245202949.db2.gz QTPZKAKCBVGEPN-SJCJKPOMSA-N -1 0 349.387 2.181 20 5 EEBDRM C[S@](=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000179519295 255924828 /nfs/dbraw/zinc/92/48/28/255924828.db2.gz ZEETXLHBVMEKMA-SHACYNPGSA-N -1 0 348.380 2.150 20 5 EEBDRM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356639729 141030487 /nfs/dbraw/zinc/03/04/87/141030487.db2.gz ZAIZXDSNTUFRJS-UHFFFAOYSA-N -1 0 344.302 2.288 20 5 EEBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000119272084 292243502 /nfs/dbraw/zinc/24/35/02/292243502.db2.gz OYAKDACZJDLWED-CQSZACIVSA-N -1 0 330.340 2.496 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000262532352 152288864 /nfs/dbraw/zinc/28/88/64/152288864.db2.gz PUMTUTCGMSDJRJ-SCZZXKLOSA-N -1 0 326.736 2.431 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000263031533 152360779 /nfs/dbraw/zinc/36/07/79/152360779.db2.gz OPTBJWXLGIXRKZ-VIFPVBQESA-N -1 0 330.287 2.358 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000263125997 152382135 /nfs/dbraw/zinc/38/21/35/152382135.db2.gz CQRGZOKKFAIEJD-SCZZXKLOSA-N -1 0 326.736 2.431 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCCOC2CCCC2)cc([N+](=O)[O-])c1 ZINC000262228313 160446171 /nfs/dbraw/zinc/44/61/71/160446171.db2.gz YBXMBYADYKRYNI-UHFFFAOYSA-N -1 0 336.344 2.372 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000130320864 292371581 /nfs/dbraw/zinc/37/15/81/292371581.db2.gz LJWREMNAUONBJY-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000314799190 160531916 /nfs/dbraw/zinc/53/19/16/160531916.db2.gz WHDNINIBWXBOAG-SNVBAGLBSA-N -1 0 326.374 2.399 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085098 159159960 /nfs/dbraw/zinc/15/99/60/159159960.db2.gz DIZDIAYMOHHOEP-GFCCVEGCSA-N -1 0 347.352 2.408 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccncc2)c2ncccc12 ZINC000185612617 160042901 /nfs/dbraw/zinc/04/29/01/160042901.db2.gz DZSDVFMTWFZFRO-UHFFFAOYSA-N -1 0 330.325 2.339 20 5 EEBDRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000185707749 160046780 /nfs/dbraw/zinc/04/67/80/160046780.db2.gz JXWZAFNYOGBZHR-UHFFFAOYSA-N -1 0 342.764 2.456 20 5 EEBDRM C[C@H](CC(=O)[O-])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237647867 160223611 /nfs/dbraw/zinc/22/36/11/160223611.db2.gz UTHJOCBJMHVKOJ-MRVPVSSYSA-N -1 0 335.341 2.311 20 5 EEBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000360029799 164219828 /nfs/dbraw/zinc/21/98/28/164219828.db2.gz AVIVAQSSTIYVAD-UHFFFAOYSA-N -1 0 336.325 2.167 20 5 EEBDRM C[C@@](CO)(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000360294101 164277562 /nfs/dbraw/zinc/27/75/62/164277562.db2.gz LVUSNBPDLWTKOI-SFHVURJKSA-N -1 0 344.367 2.272 20 5 EEBDRM O=C(NCc1cccc(-n2ccnc2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000360607527 164350304 /nfs/dbraw/zinc/35/03/04/164350304.db2.gz MVBPGMBWBUZMAF-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-] ZINC000275179304 269100976 /nfs/dbraw/zinc/10/09/76/269100976.db2.gz KELBKCSYYVWYPC-JTQLQIEISA-N -1 0 344.389 2.071 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCc2ccccc2[C@H]1CO ZINC000185708933 274022289 /nfs/dbraw/zinc/02/22/89/274022289.db2.gz DDPBRYUDAHNNMG-OAHLLOKOSA-N -1 0 328.324 2.032 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)n1 ZINC000160685430 311357431 /nfs/dbraw/zinc/35/74/31/311357431.db2.gz MMSQZARWNPAYOD-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000332449214 312009084 /nfs/dbraw/zinc/00/90/84/312009084.db2.gz LXLAOUUZZKIEAY-AQUOVQTQSA-N -1 0 346.380 2.072 20 5 EEBDRM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000416593504 313268387 /nfs/dbraw/zinc/26/83/87/313268387.db2.gz LNYJXKSCDZSCRM-OTYXRUKQSA-N -1 0 346.380 2.216 20 5 EEBDRM COC(=O)c1ccc(C)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1O ZINC000436481577 314966328 /nfs/dbraw/zinc/96/63/28/314966328.db2.gz CLUKRYMZHUZUJD-UHFFFAOYSA-N -1 0 346.295 2.353 20 5 EEBDRM COc1ccc(CN(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1O ZINC000436638202 314982300 /nfs/dbraw/zinc/98/23/00/314982300.db2.gz CFFHWGXIKVSKLP-UHFFFAOYSA-N -1 0 332.312 2.287 20 5 EEBDRM NC(=O)Nc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1F ZINC000436887298 315009319 /nfs/dbraw/zinc/00/93/19/315009319.db2.gz WWNPCIFSWKGJJU-UHFFFAOYSA-N -1 0 334.263 2.182 20 5 EEBDRM COC(=O)c1ccc(F)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436948828 315014785 /nfs/dbraw/zinc/01/47/85/315014785.db2.gz PLMHICBTHYAQIT-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493289974 315927495 /nfs/dbraw/zinc/92/74/95/315927495.db2.gz GNAVKWHGHAQEOK-DUXPYHPUSA-N -1 0 336.319 2.460 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc(C)c(C)o1 ZINC000079063280 442014219 /nfs/dbraw/zinc/01/42/19/442014219.db2.gz KLPZCCNTUGOSQV-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM C[C@H]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000514677778 316411542 /nfs/dbraw/zinc/41/15/42/316411542.db2.gz ZJHFXVHIJCXSTG-ONGXEEELSA-N -1 0 342.373 2.008 20 5 EEBDRM O=C(N[C@H]1CCC[C@H]1CCO)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000521879719 316936586 /nfs/dbraw/zinc/93/65/86/316936586.db2.gz PNMXXWXPKYWSGR-KWQFWETISA-N -1 0 328.752 2.235 20 5 EEBDRM C[C@H](O)CN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000531768742 317817632 /nfs/dbraw/zinc/81/76/32/317817632.db2.gz MLMYADUWTWBCOX-LBPRGKRZSA-N -1 0 330.340 2.324 20 5 EEBDRM Cc1c(C(=O)NCCOc2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000537483704 318018040 /nfs/dbraw/zinc/01/80/40/318018040.db2.gz ZCFPPRMUEIOAKQ-UHFFFAOYSA-N -1 0 344.323 2.410 20 5 EEBDRM CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000542077269 318121749 /nfs/dbraw/zinc/12/17/49/318121749.db2.gz BDFCCXAWTIFNTQ-UHFFFAOYSA-N -1 0 331.284 2.124 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000543731520 318169998 /nfs/dbraw/zinc/16/99/98/318169998.db2.gz ROPRVMGTFZTUTN-GFCCVEGCSA-N -1 0 348.277 2.484 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000543731521 318170022 /nfs/dbraw/zinc/17/00/22/318170022.db2.gz ROPRVMGTFZTUTN-LBPRGKRZSA-N -1 0 348.277 2.484 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000557796128 318695031 /nfs/dbraw/zinc/69/50/31/318695031.db2.gz NDAIZIUHXDPDNE-OAHLLOKOSA-N -1 0 349.387 2.470 20 5 EEBDRM O=C([O-])C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000563711618 319039055 /nfs/dbraw/zinc/03/90/55/319039055.db2.gz AEXBSBKZFQRVAK-UHFFFAOYSA-N -1 0 328.752 2.314 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2cnc(CC)nc2)cc1[N+](=O)[O-] ZINC000564973129 319134333 /nfs/dbraw/zinc/13/43/33/319134333.db2.gz SZAGBLRLXSKWNU-UHFFFAOYSA-N -1 0 336.373 2.310 20 5 EEBDRM O=C(N[C@@H](CO)CC1CCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565026515 319140332 /nfs/dbraw/zinc/14/03/32/319140332.db2.gz SACJRLGHRYZUCK-SNVBAGLBSA-N -1 0 328.752 2.235 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCSC3(CCOCC3)C2)c1 ZINC000568399719 319485670 /nfs/dbraw/zinc/48/56/70/319485670.db2.gz ZTZWWKICALEJCD-UHFFFAOYSA-N -1 0 338.385 2.395 20 5 EEBDRM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCOCC1 ZINC000573728418 319960942 /nfs/dbraw/zinc/96/09/42/319960942.db2.gz NRLWGFFLBOOHTL-MRVPVSSYSA-N -1 0 328.752 2.499 20 5 EEBDRM O=C([O-])c1ccnc(N2C[C@H](O)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000576351414 320164129 /nfs/dbraw/zinc/16/41/29/320164129.db2.gz XQCRLONHWQNUKF-DGCLKSJQSA-N -1 0 329.312 2.000 20 5 EEBDRM CCc1ccc(S(=O)(=O)NCCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000578440409 320314719 /nfs/dbraw/zinc/31/47/19/320314719.db2.gz XGRTZOUGPRQQOA-UHFFFAOYSA-N -1 0 344.389 2.081 20 5 EEBDRM COCCOc1ccccc1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578631157 323672683 /nfs/dbraw/zinc/67/26/83/323672683.db2.gz SMVIZHXRMGGJQV-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@H](Cc3ccccc3)C2)n1 ZINC000579235673 323807900 /nfs/dbraw/zinc/80/79/00/323807900.db2.gz ANEYAZPOYSTYJV-CYBMUJFWSA-N -1 0 343.339 2.136 20 5 EEBDRM CC(C)C1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC000580548433 324084495 /nfs/dbraw/zinc/08/44/95/324084495.db2.gz WYNCWNVNRPPWBQ-UHFFFAOYSA-N -1 0 342.373 2.008 20 5 EEBDRM C[C@H]1CCCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000581724148 324310915 /nfs/dbraw/zinc/31/09/15/324310915.db2.gz QIUXGHYOSKOVAK-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347490377 465053919 /nfs/dbraw/zinc/05/39/19/465053919.db2.gz FAENBQBPCDYQJY-UHFFFAOYSA-N -1 0 331.328 2.430 20 5 EEBDRM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000339076731 465069918 /nfs/dbraw/zinc/06/99/18/465069918.db2.gz CDMFFMDKQZZQIP-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000339192165 465132278 /nfs/dbraw/zinc/13/22/78/465132278.db2.gz MMQZTVZAGFIIEE-ZYHUDNBSSA-N -1 0 334.294 2.293 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000339192164 465133281 /nfs/dbraw/zinc/13/32/81/465133281.db2.gz MMQZTVZAGFIIEE-PWSUYJOCSA-N -1 0 334.294 2.293 20 5 EEBDRM Cc1cc2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c(C)n2n1 ZINC000356295303 465304304 /nfs/dbraw/zinc/30/43/04/465304304.db2.gz ONXNFWHEGLVCSV-UHFFFAOYSA-N -1 0 327.300 2.212 20 5 EEBDRM Cc1[nH]nc2ncc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc12 ZINC000152594532 462553446 /nfs/dbraw/zinc/55/34/46/462553446.db2.gz FKVBYSBMJLPGNR-UHFFFAOYSA-N -1 0 347.356 2.284 20 5 EEBDRM CC(C)c1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002727616 462600261 /nfs/dbraw/zinc/60/02/61/462600261.db2.gz FSLVNTKYDRQJHB-UHFFFAOYSA-N -1 0 328.375 2.371 20 5 EEBDRM O=C(Nc1nncn1Cc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000117990281 462819655 /nfs/dbraw/zinc/81/96/55/462819655.db2.gz PSKCXYQMMSOFFH-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CCCC(=O)NC[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092707428 462975158 /nfs/dbraw/zinc/97/51/58/462975158.db2.gz UVLTYKNRJSWSQC-ZDUSSCGKSA-N -1 0 335.404 2.429 20 5 EEBDRM CC(C)(C)OC(=O)NCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000096012019 463141172 /nfs/dbraw/zinc/14/11/72/463141172.db2.gz OJEIWPPMOIWRNO-UHFFFAOYSA-N -1 0 325.321 2.154 20 5 EEBDRM Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164118508 463615336 /nfs/dbraw/zinc/61/53/36/463615336.db2.gz OLPFBWQCVJBQOQ-UHFFFAOYSA-N -1 0 343.339 2.286 20 5 EEBDRM O=C(Nc1cccc(-n2ccnn2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164976485 463637877 /nfs/dbraw/zinc/63/78/77/463637877.db2.gz CBOATRUZLXXMJC-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CN1CCOc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC000178197075 463858931 /nfs/dbraw/zinc/85/89/31/463858931.db2.gz OIHPHMPHAXDJDS-UHFFFAOYSA-N -1 0 349.368 2.224 20 5 EEBDRM O=C([O-])[C@H]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000194491383 463872582 /nfs/dbraw/zinc/87/25/82/463872582.db2.gz IHIBTPMJVZVLBY-VHSXEESVSA-N -1 0 326.736 2.160 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000262468911 464029480 /nfs/dbraw/zinc/02/94/80/464029480.db2.gz ZLIVHUDVYUGOEG-BONVTDFDSA-N -1 0 333.344 2.165 20 5 EEBDRM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)[O-] ZINC000237615519 464349302 /nfs/dbraw/zinc/34/93/02/464349302.db2.gz AUOZAJOBHFVUCZ-NSHDSACASA-N -1 0 335.360 2.036 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000248474283 464756704 /nfs/dbraw/zinc/75/67/04/464756704.db2.gz LRRXBVNOVMBGMG-YHBNFXLMSA-N -1 0 340.401 2.110 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nc(C(F)(F)F)no1 ZINC000600031276 468439230 /nfs/dbraw/zinc/43/92/30/468439230.db2.gz WKDZAUSSQJDNEV-YFKPBYRVSA-N -1 0 346.221 2.193 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000371588403 465890331 /nfs/dbraw/zinc/89/03/31/465890331.db2.gz MOJGQCROPWXNKF-UHFFFAOYSA-N -1 0 336.373 2.237 20 5 EEBDRM C[C@@H](c1ccccc1)N(CC(N)=O)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000340289643 465956248 /nfs/dbraw/zinc/95/62/48/465956248.db2.gz OGMDDEIAJIXWGA-LBPRGKRZSA-N -1 0 329.356 2.349 20 5 EEBDRM CCn1cc(-c2n[nH]cc2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000427634521 467168937 /nfs/dbraw/zinc/16/89/37/467168937.db2.gz UJLYAUHAVPTXCL-UHFFFAOYSA-N -1 0 342.315 2.159 20 5 EEBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N(C)C(=O)OC(C)(C)C ZINC000497046242 467806286 /nfs/dbraw/zinc/80/62/86/467806286.db2.gz SQNHAYUMMHLPRB-VIFPVBQESA-N -1 0 339.348 2.494 20 5 EEBDRM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)CCC1CCC1 ZINC000493251915 467871348 /nfs/dbraw/zinc/87/13/48/467871348.db2.gz JLSLFDSHCQTWQE-CMDGGOBGSA-N -1 0 338.385 2.244 20 5 EEBDRM Cc1ccc(OCCCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000567739435 468200558 /nfs/dbraw/zinc/20/05/58/468200558.db2.gz OEGWBQCNNZHMFT-UHFFFAOYSA-N -1 0 331.328 2.877 20 5 EEBDRM O=C(NCc1noc(-c2cccs2)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000550190403 468209750 /nfs/dbraw/zinc/20/97/50/468209750.db2.gz SGAFDBAVWZMLGW-UHFFFAOYSA-N -1 0 346.324 2.342 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)NCC2=CCCCC2)ccc1[N+](=O)[O-] ZINC000578776988 468256252 /nfs/dbraw/zinc/25/62/52/468256252.db2.gz XDJKCPWLTLJPQT-UHFFFAOYSA-N -1 0 340.357 2.072 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000569611567 468517619 /nfs/dbraw/zinc/51/76/19/468517619.db2.gz KYBRAJQDYXRJCI-LBPRGKRZSA-N -1 0 335.360 2.014 20 5 EEBDRM O=C([O-])CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCC1 ZINC000594467129 468596767 /nfs/dbraw/zinc/59/67/67/468596767.db2.gz XOISDVLOMREVCS-UHFFFAOYSA-N -1 0 333.344 2.248 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000583261286 468670954 /nfs/dbraw/zinc/67/09/54/468670954.db2.gz JSGSAOWKYKZNIW-UHFFFAOYSA-N -1 0 342.373 2.163 20 5 EEBDRM C[C@@H](C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1)C(=O)[O-] ZINC000570809026 468696837 /nfs/dbraw/zinc/69/68/37/468696837.db2.gz GZOIPWLDHXZXEJ-JTQLQIEISA-N -1 0 346.343 2.330 20 5 EEBDRM CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592773820 468782012 /nfs/dbraw/zinc/78/20/12/468782012.db2.gz HAWPMYWVXHUGTF-QMMMGPOBSA-N -1 0 344.751 2.366 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000595251977 468793451 /nfs/dbraw/zinc/79/34/51/468793451.db2.gz QVHJJZJLGREECB-NSHDSACASA-N -1 0 343.339 2.374 20 5 EEBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](C)C(=O)[O-] ZINC000595283488 468800430 /nfs/dbraw/zinc/80/04/30/468800430.db2.gz WQZHUQXKZVBZTC-ZETCQYMHSA-N -1 0 345.149 2.293 20 5 EEBDRM COc1nc(C)cc(C)c1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592970977 468831146 /nfs/dbraw/zinc/83/11/46/468831146.db2.gz ZAFMRFNTPDEIAA-UHFFFAOYSA-N -1 0 332.316 2.321 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(CC(F)F)CC2)c1 ZINC000592970914 468831266 /nfs/dbraw/zinc/83/12/66/468831266.db2.gz QWYUBDKCFZHXAL-UHFFFAOYSA-N -1 0 329.303 2.434 20 5 EEBDRM Cc1cc(N2CCC[C@H]2c2nncn2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976279 468832095 /nfs/dbraw/zinc/83/20/95/468832095.db2.gz ZWSHSNWQDRDNFN-LBPRGKRZSA-N -1 0 331.332 2.071 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H]2C2CCOCC2)n1 ZINC000592978371 468832713 /nfs/dbraw/zinc/83/27/13/468832713.db2.gz SHZILLCQIZLQAL-ZDUSSCGKSA-N -1 0 335.360 2.392 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCOCC3(CCCC3)C2)n1 ZINC000592978491 468832857 /nfs/dbraw/zinc/83/28/57/468832857.db2.gz MLXGEYVKRZSYJF-UHFFFAOYSA-N -1 0 335.360 2.393 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000584843542 468948087 /nfs/dbraw/zinc/94/80/87/468948087.db2.gz QGJAPTZIFXFQFP-JTQLQIEISA-N -1 0 333.369 2.397 20 5 EEBDRM CCOC(=O)c1cc(N2C[C@H](C(=O)[O-])CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000595973246 469103403 /nfs/dbraw/zinc/10/34/03/469103403.db2.gz IKNXTEXOAUQPEE-WDEREUQCSA-N -1 0 336.344 2.461 20 5 EEBDRM CC(C)c1noc(CCCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC000574043800 469251421 /nfs/dbraw/zinc/25/14/21/469251421.db2.gz UAPTWHYWBYSJBC-UHFFFAOYSA-N -1 0 335.320 2.239 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)CCc2cccn2C)n1 ZINC000565035450 469265619 /nfs/dbraw/zinc/26/56/19/469265619.db2.gz KXKLEHRMMIOESK-JTQLQIEISA-N -1 0 332.360 2.768 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N(C2CC2)C2CCCC2)ccc1[O-] ZINC000603631330 469420567 /nfs/dbraw/zinc/42/05/67/469420567.db2.gz XBHUVMQPMIIQAE-UHFFFAOYSA-N -1 0 326.374 2.396 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2ccccn2)ccc1[O-] ZINC000604369979 469473795 /nfs/dbraw/zinc/47/37/95/469473795.db2.gz CXDOFKKLEMLXAU-ZDUSSCGKSA-N -1 0 349.368 2.221 20 5 EEBDRM O=C(Nc1ccccc1-n1cncn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000613878911 469809796 /nfs/dbraw/zinc/80/97/96/469809796.db2.gz KBWUBUWUTMRAFU-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000618020643 469874084 /nfs/dbraw/zinc/87/40/84/469874084.db2.gz SBEZEOUPGVGFGB-HTQZYQBOSA-N -1 0 328.346 2.137 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2noc(C3CC3)n2)ccc1Cl ZINC000183402787 534880694 /nfs/dbraw/zinc/88/06/94/534880694.db2.gz SUEWUJAEOXNIBB-UHFFFAOYSA-N -1 0 344.736 2.309 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000738305215 578008708 /nfs/dbraw/zinc/00/87/08/578008708.db2.gz JZIZTHFYUBCFDK-UHFFFAOYSA-N -1 0 349.255 2.033 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2cccc(C(=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000737666203 576357875 /nfs/dbraw/zinc/35/78/75/576357875.db2.gz SMNMRHRIRQCTBQ-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM Nc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000776588135 577463529 /nfs/dbraw/zinc/46/35/29/577463529.db2.gz LCGQSYMEQBAAGS-UHFFFAOYSA-N -1 0 343.339 2.294 20 5 EEBDRM Nc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000776593935 577463788 /nfs/dbraw/zinc/46/37/88/577463788.db2.gz XMDVZKADTVABSV-CYBMUJFWSA-N -1 0 347.302 2.262 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000766371232 577518014 /nfs/dbraw/zinc/51/80/14/577518014.db2.gz RSCMZXPHELNMTO-UHFFFAOYSA-N -1 0 336.251 2.126 20 5 EEBDRM CCC1(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)CC1 ZINC000750677752 577741054 /nfs/dbraw/zinc/74/10/54/577741054.db2.gz KLKSYOULITVAMR-UHFFFAOYSA-N -1 0 326.374 2.207 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C2CC(F)(F)C2)cc([N+](=O)[O-])c1C ZINC000753799742 577793882 /nfs/dbraw/zinc/79/38/82/577793882.db2.gz RXOQBLKYDIAIPT-UHFFFAOYSA-N -1 0 348.327 2.062 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccsc2)c([N+](=O)[O-])c1 ZINC000743260981 577882407 /nfs/dbraw/zinc/88/24/07/577882407.db2.gz MPVKADRTIORKLY-UHFFFAOYSA-N -1 0 329.315 2.365 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000744129787 577893171 /nfs/dbraw/zinc/89/31/71/577893171.db2.gz CSLHRRNMRUSUBW-UHFFFAOYSA-N -1 0 328.390 2.399 20 5 EEBDRM CC(C)CS(=O)(=O)[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000749069965 577970759 /nfs/dbraw/zinc/97/07/59/577970759.db2.gz CQRGETQUYRKNIX-UHFFFAOYSA-N -1 0 326.330 2.057 20 5 EEBDRM Cc1ncc(Cl)c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000738885353 578029943 /nfs/dbraw/zinc/02/99/43/578029943.db2.gz LDCUSHOGRXRAED-UHFFFAOYSA-N -1 0 336.691 2.297 20 5 EEBDRM Cc1nn(C)c(NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1[N+](=O)[O-] ZINC000738916073 578030923 /nfs/dbraw/zinc/03/09/23/578030923.db2.gz UXWGANNIGOHGBD-NSHDSACASA-N -1 0 336.323 2.131 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000739339056 578048995 /nfs/dbraw/zinc/04/89/95/578048995.db2.gz XFXNARUNRYGBPG-AWEZNQCLSA-N -1 0 347.352 2.024 20 5 EEBDRM CCC/C=C\C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000735203552 578139884 /nfs/dbraw/zinc/13/98/84/578139884.db2.gz SETQKCKJWFEKNQ-PLNGDYQASA-N -1 0 332.765 2.409 20 5 EEBDRM CC[C@](C)(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736861294 578227154 /nfs/dbraw/zinc/22/71/54/578227154.db2.gz JDBUZPMXEACNKB-AWEZNQCLSA-N -1 0 344.751 2.387 20 5 EEBDRM CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(CC(=O)[O-])cs1 ZINC000737333152 578250908 /nfs/dbraw/zinc/25/09/08/578250908.db2.gz HVWMQBVOCVOHPK-UHFFFAOYSA-N -1 0 339.304 2.094 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000263235709 598140584 /nfs/dbraw/zinc/14/05/84/598140584.db2.gz NAJGGKOWRLHOLC-UHFFFAOYSA-N -1 0 335.360 2.080 20 5 EEBDRM O=C([O-])C1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000821511138 598172357 /nfs/dbraw/zinc/17/23/57/598172357.db2.gz QDOYKHICHFJEFB-UHFFFAOYSA-N -1 0 338.751 2.352 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000833117569 600915385 /nfs/dbraw/zinc/91/53/85/600915385.db2.gz RKHQSKIYWCMLCG-AWEZNQCLSA-N -1 0 349.730 2.128 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000833125138 600918762 /nfs/dbraw/zinc/91/87/62/600918762.db2.gz HNFPJROUYJDYNT-GFCCVEGCSA-N -1 0 335.703 2.199 20 5 EEBDRM CN(CC(=O)Nc1ccsc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000830683994 600965691 /nfs/dbraw/zinc/96/56/91/600965691.db2.gz WFIYVGASJKGAIK-UHFFFAOYSA-N -1 0 335.341 2.429 20 5 EEBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000826044442 601161809 /nfs/dbraw/zinc/16/18/09/601161809.db2.gz GQTXFOMTHWNJHW-IINYFYTJSA-N -1 0 331.328 2.125 20 5 EEBDRM CC(C)C[C@@H](NC(=O)COc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000826793863 601347125 /nfs/dbraw/zinc/34/71/25/601347125.db2.gz SQZWQQNNEXUQMO-LLVKDONJSA-N -1 0 344.751 2.243 20 5 EEBDRM O=C([O-])c1cccc(OCc2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)c1 ZINC000833332404 601367166 /nfs/dbraw/zinc/36/71/66/601367166.db2.gz NBAGEBMPFRGAPA-UHFFFAOYSA-N -1 0 330.256 2.250 20 5 EEBDRM CCOC(=O)C1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000829838352 601544801 /nfs/dbraw/zinc/54/48/01/601544801.db2.gz WZJUQBSJBMIQAB-UHFFFAOYSA-N -1 0 336.344 2.381 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCCO[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000833196728 601680381 /nfs/dbraw/zinc/68/03/81/601680381.db2.gz CTLJKFWVUNKYCT-HSBHDXMMSA-N -1 0 336.344 2.300 20 5 EEBDRM O=C([O-])c1cccc(OS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000833332802 602205860 /nfs/dbraw/zinc/20/58/60/602205860.db2.gz BSQDHUCQSGSTIP-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM CC(C)COC[C@H](O)CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000826900829 602251061 /nfs/dbraw/zinc/25/10/61/602251061.db2.gz VVQUFAJJAGCFFZ-SECBINFHSA-N -1 0 346.767 2.392 20 5 EEBDRM Cc1noc(CCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000833022513 602253589 /nfs/dbraw/zinc/25/35/89/602253589.db2.gz VDQZTJVFHZSRTG-UHFFFAOYSA-N -1 0 326.696 2.292 20 5 EEBDRM O=C([O-])C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc21 ZINC000833219386 602350058 /nfs/dbraw/zinc/35/00/58/602350058.db2.gz GYCPFLTXAIYISZ-JTQLQIEISA-N -1 0 327.296 2.209 20 5 EEBDRM C[C@H]1COCCN1CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000828508665 604263523 /nfs/dbraw/zinc/26/35/23/604263523.db2.gz IIZSEZNTIQPLHZ-VIFPVBQESA-N -1 0 343.767 2.079 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000833423154 605294805 /nfs/dbraw/zinc/29/48/05/605294805.db2.gz MFLOKSMCILKNSD-SNVBAGLBSA-N -1 0 330.287 2.302 20 5 EEBDRM C/C(=C\C(=O)NC1(CC(=O)[O-])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000833384536 605354207 /nfs/dbraw/zinc/35/42/07/605354207.db2.gz YBHXZHAEEUMWSF-ZRDIBKRKSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)oc1C ZINC000128877373 694244073 /nfs/dbraw/zinc/24/40/73/694244073.db2.gz YWZGSYWCUAAWFA-UHFFFAOYSA-N -1 0 338.341 2.232 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[C@@H]1C(=O)[O-] ZINC000863732987 1197842667 /nfs/dbraw/zinc/84/26/67/1197842667.db2.gz FILKKGCXIHPVBQ-JQWIXIFHSA-N -1 0 349.343 2.098 20 5 EEBDRM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)on1 ZINC000795806483 1215090866 /nfs/dbraw/zinc/09/08/66/1215090866.db2.gz VUUXSBQWBPQKDI-UHFFFAOYSA-N -1 0 349.727 2.162 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000119610176 1229560632 /nfs/dbraw/zinc/56/06/32/1229560632.db2.gz VHHVWYQWAMGKKL-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM COc1cnc(-c2noc(-c3cc([N+](=O)[O-])ccc3[O-])n2)c(OC)c1 ZINC001215380456 1296879899 /nfs/dbraw/zinc/87/98/99/1296879899.db2.gz RZDXODHEFZNIRY-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM O=[N+]([O-])c1ccc([C@H](OCCCS(=O)(=O)[O-])C(F)(F)F)cc1 ZINC001224896395 1300772623 /nfs/dbraw/zinc/77/26/23/1300772623.db2.gz CRRJRWMVCUTNTK-JTQLQIEISA-N -1 0 343.279 2.493 20 5 EEBDRM O=c1c([O-])c(O[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])c1=O ZINC001226605652 1301477640 /nfs/dbraw/zinc/47/76/40/1301477640.db2.gz JNCVRTPLNZCVEI-INIZCTEOSA-N -1 0 325.276 2.065 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(OC4CC5(COC5)C4)c3nc2cc1C ZINC001228687429 1302380097 /nfs/dbraw/zinc/38/00/97/1302380097.db2.gz WIRYKTWTZTVZSE-UHFFFAOYSA-N -1 0 338.367 2.453 20 5 EEBDRM C=CC(=O)OC[C@@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228859486 1302488127 /nfs/dbraw/zinc/48/81/27/1302488127.db2.gz KFBVIFWZEMOPED-ZCFIWIBFSA-N -1 0 336.222 2.211 20 5 EEBDRM CCOC(=O)C(F)(F)[C@H](CC)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228969877 1302550003 /nfs/dbraw/zinc/55/00/03/1302550003.db2.gz DJWPAMRBEYBLDP-JTQLQIEISA-N -1 0 335.259 2.362 20 5 EEBDRM O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780684996 1303685907 /nfs/dbraw/zinc/68/59/07/1303685907.db2.gz RSUNOGMSXLDLSR-UPJWGTAASA-N -1 0 340.426 2.410 20 5 EEBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CCCC3(C2)OCCO3)cc1[O-] ZINC001231227850 1303691544 /nfs/dbraw/zinc/69/15/44/1303691544.db2.gz NXHKLAOHTTTYQE-VIFPVBQESA-N -1 0 340.288 2.273 20 5 EEBDRM CO[C@H](C)CO[C@@H](C)COc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231226238 1303691879 /nfs/dbraw/zinc/69/18/79/1303691879.db2.gz BIINDSPJAIVZND-BDAKNGLRSA-N -1 0 330.293 2.027 20 5 EEBDRM O=C(N[C@H](CCO)Cc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000799811432 1305450528 /nfs/dbraw/zinc/45/05/28/1305450528.db2.gz UNRQNFZBUORENU-CQSZACIVSA-N -1 0 330.340 2.024 20 5 EEBDRM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000836897653 1315040120 /nfs/dbraw/zinc/04/01/20/1315040120.db2.gz HYGYCNDFIHLJHD-NOZJJQNGSA-N -1 0 346.767 2.080 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)C[C@@H](C)C(=O)[O-] ZINC000841510931 1315568273 /nfs/dbraw/zinc/56/82/73/1315568273.db2.gz PFEQBIQITXBHIB-MRVPVSSYSA-N -1 0 328.296 2.068 20 5 EEBDRM O=C([N-]CCNc1nccc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC001156202968 1317919663 /nfs/dbraw/zinc/91/96/63/1317919663.db2.gz ASNRKIFGBRGENB-UHFFFAOYSA-N -1 0 328.250 2.233 20 5 EEBDRM Cc1ccn2cnnc2c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC001261252187 1322051212 /nfs/dbraw/zinc/05/12/12/1322051212.db2.gz AUEJPXUUAYTKND-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)n1 ZINC001607709171 1351543840 /nfs/dbraw/zinc/54/38/40/1351543840.db2.gz FQZXTWWAEJLNIY-AWEZNQCLSA-N -1 0 347.302 2.301 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCCC[C@@H]1C(=O)[O-] ZINC001607709636 1351543951 /nfs/dbraw/zinc/54/39/51/1351543951.db2.gz MKAQWEHMFVIDFB-CQSZACIVSA-N -1 0 335.360 2.171 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)cc([N+](=O)[O-])c1 ZINC001608835678 1351774754 /nfs/dbraw/zinc/77/47/54/1351774754.db2.gz ROFVCZZOMNACKC-KGLIPLIRSA-N -1 0 346.339 2.267 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc([N+](=O)[O-])c1 ZINC001608836602 1351774813 /nfs/dbraw/zinc/77/48/13/1351774813.db2.gz KQLCUPOQJCWRKR-JLLWLGSASA-N -1 0 340.282 2.457 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](Cc3nccs3)C2)n1 ZINC001608914765 1351792732 /nfs/dbraw/zinc/79/27/32/1351792732.db2.gz IXKXAAXTLIJJRN-VIFPVBQESA-N -1 0 334.357 2.214 20 5 EEBDRM O=C([O-])c1cccc(OS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001608937551 1351798377 /nfs/dbraw/zinc/79/83/77/1351798377.db2.gz BZDKQVQGOHVBMR-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1nn(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2c1CCCC2 ZINC001609003961 1351812347 /nfs/dbraw/zinc/81/23/47/1351812347.db2.gz KNBDSXKRSGLXAC-CQSZACIVSA-N -1 0 331.328 2.102 20 5 EEBDRM CC(C)(CCC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])[N+](=O)[O-] ZINC001609673920 1352055692 /nfs/dbraw/zinc/05/56/92/1352055692.db2.gz UTORKDWNEMBATA-GFCCVEGCSA-N -1 0 340.351 2.021 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC001609811233 1352091430 /nfs/dbraw/zinc/09/14/30/1352091430.db2.gz LHJSVZNLQBZCIM-QGZVFWFLSA-N -1 0 347.371 2.178 20 5 EEBDRM CC[C@](C)(CCO)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001609895262 1352113125 /nfs/dbraw/zinc/11/31/25/1352113125.db2.gz ACWVTARAPSFELS-OAHLLOKOSA-N -1 0 339.348 2.274 20 5 EEBDRM CC[C@@](C)(NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001609895870 1352113763 /nfs/dbraw/zinc/11/37/63/1352113763.db2.gz PDLLDSDLSYKCJY-RMLUDKJBSA-N -1 0 344.751 2.385 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)COc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001609905918 1352116362 /nfs/dbraw/zinc/11/63/62/1352116362.db2.gz WTNSPTJMIRQBCF-OQPBUACISA-N -1 0 344.751 2.243 20 5 EEBDRM CC[C@H]1CN(c2nnc(-c3cccc([O-])c3[N+](=O)[O-])n2C)CCS1 ZINC001341594831 1337295165 /nfs/dbraw/zinc/29/51/65/1337295165.db2.gz YEYFFEDDRMWYNT-JTQLQIEISA-N -1 0 349.416 2.428 20 5 EEBDRM C[S@](=O)c1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001610380374 1352213341 /nfs/dbraw/zinc/21/33/41/1352213341.db2.gz ZKUYRHMUUNKZSZ-QHCPKHFHSA-N -1 0 335.341 2.038 20 5 EEBDRM Cc1c(NS(=O)(=O)c2ccccc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001610427389 1352221059 /nfs/dbraw/zinc/22/10/59/1352221059.db2.gz VIPLELUKOCLQPB-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM O=C([O-])Cc1occc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001610798981 1352276441 /nfs/dbraw/zinc/27/64/41/1352276441.db2.gz VMLMCFWNJAMMTF-UHFFFAOYSA-N -1 0 330.296 2.013 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@H](O)CCc2ccccc2)cc([N+](=O)[O-])c1 ZINC001610814947 1352279153 /nfs/dbraw/zinc/27/91/53/1352279153.db2.gz LLRWYDNLBMVJFN-OAHLLOKOSA-N -1 0 344.323 2.225 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2C[C@@H](O)CC(F)(F)C2)cc1Cl ZINC001610817459 1352279824 /nfs/dbraw/zinc/27/98/24/1352279824.db2.gz KAGSCVCXGGJILY-LURJTMIESA-N -1 0 336.678 2.153 20 5 EEBDRM O=C([O-])c1ccc(C(=O)COc2ccc([N+](=O)[O-])c(CO)c2)cc1 ZINC001610819970 1352280151 /nfs/dbraw/zinc/28/01/51/1352280151.db2.gz AEDIDZDHUQCRLU-UHFFFAOYSA-N -1 0 331.280 2.047 20 5 EEBDRM O=C([O-])c1ccc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cc1F ZINC001610833265 1352282184 /nfs/dbraw/zinc/28/21/84/1352282184.db2.gz UOELRFMBDGMJQQ-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCN(c3ccccn3)CC2)c1 ZINC001610841899 1352283730 /nfs/dbraw/zinc/28/37/30/1352283730.db2.gz JUQGWVSBYNCQMF-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1(C)C ZINC001590274681 1349243404 /nfs/dbraw/zinc/24/34/04/1349243404.db2.gz ODSGPIQXTLSMJN-SECBINFHSA-N -1 0 331.380 2.230 20 5 EEBDRM Cc1c(NC(=O)COCC(F)(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600034387 1349958978 /nfs/dbraw/zinc/95/89/78/1349958978.db2.gz YMUNGGQVTSTDJK-UHFFFAOYSA-N -1 0 336.222 2.119 20 5 EEBDRM Cc1cncn1C1CCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC001600105509 1349972294 /nfs/dbraw/zinc/97/22/94/1349972294.db2.gz QOTGLBMUWRSNEG-UHFFFAOYSA-N -1 0 345.359 2.343 20 5 EEBDRM Cc1ccc(NCCCNc2ncncc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001600460294 1350057297 /nfs/dbraw/zinc/05/72/97/1350057297.db2.gz RRXLHWVQZLDLOR-UHFFFAOYSA-N -1 0 331.332 2.306 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1 ZINC001600487808 1350063124 /nfs/dbraw/zinc/06/31/24/1350063124.db2.gz UTUNSOJUIDLDRC-PEBVRCNWSA-N -1 0 348.355 2.042 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC001600551955 1350080410 /nfs/dbraw/zinc/08/04/10/1350080410.db2.gz IMMCBRZXSVWXAX-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001600748135 1350127131 /nfs/dbraw/zinc/12/71/31/1350127131.db2.gz ASOGRDXUCKQZEF-GFCCVEGCSA-N -1 0 335.360 2.309 20 5 EEBDRM Cn1cnc(CCCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])n1 ZINC001600990445 1350184481 /nfs/dbraw/zinc/18/44/81/1350184481.db2.gz SSUSOOWDGLLXEE-UHFFFAOYSA-N -1 0 339.739 2.120 20 5 EEBDRM NC(=O)[C@H]1CC[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001601160052 1350222485 /nfs/dbraw/zinc/22/24/85/1350222485.db2.gz WJTAPCGAGRYHGY-NKWVEPMBSA-N -1 0 327.724 2.012 20 5 EEBDRM Nc1c(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc2ccccc2c1[N+](=O)[O-] ZINC001601208204 1350231428 /nfs/dbraw/zinc/23/14/28/1350231428.db2.gz IOUCXJARENMOCC-MNOVXSKESA-N -1 0 343.339 2.313 20 5 EEBDRM O=C([O-])c1ccc(OCCOC(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001601367524 1350268231 /nfs/dbraw/zinc/26/82/31/1350268231.db2.gz KUMJAQPOXLYVLC-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001601406729 1350276737 /nfs/dbraw/zinc/27/67/37/1350276737.db2.gz PEYVORZWTFCKCY-MRVPVSSYSA-N -1 0 346.217 2.476 20 5 EEBDRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001601529906 1350301217 /nfs/dbraw/zinc/30/12/17/1350301217.db2.gz GUNBAAAKGGERCR-UHFFFAOYSA-N -1 0 346.324 2.161 20 5 EEBDRM O=C([O-])c1sccc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001601549029 1350305813 /nfs/dbraw/zinc/30/58/13/1350305813.db2.gz DXUYVWOGIMYHGN-UHFFFAOYSA-N -1 0 346.324 2.161 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@H]2C[C@H]21 ZINC001601572942 1350309569 /nfs/dbraw/zinc/30/95/69/1350309569.db2.gz WNRYIIRVGNXMFK-JIOCBJNQSA-N -1 0 342.710 2.226 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccc(F)cc2O1 ZINC001601847102 1350379468 /nfs/dbraw/zinc/37/94/68/1350379468.db2.gz NGCDAXULKJBGBW-AWEZNQCLSA-N -1 0 346.270 2.226 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1 ZINC001602120515 1350443725 /nfs/dbraw/zinc/44/37/25/1350443725.db2.gz AASJYMQIMIOHOD-UHFFFAOYSA-N -1 0 348.384 2.005 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCOc3ncccc3C2)c([N+](=O)[O-])c1 ZINC001602120968 1350444053 /nfs/dbraw/zinc/44/40/53/1350444053.db2.gz QRAOBOVLHNCOFD-UHFFFAOYSA-N -1 0 329.312 2.016 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2ccc3[nH]cnc3c2)cc([N+](=O)[O-])c1 ZINC001602247371 1350475783 /nfs/dbraw/zinc/47/57/83/1350475783.db2.gz KDTSNILJQFIDIY-UHFFFAOYSA-N -1 0 340.295 2.099 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]2COC[C@H]2C1 ZINC001602298938 1350488080 /nfs/dbraw/zinc/48/80/80/1350488080.db2.gz JURKIOUOCRJVGT-RKDXNWHRSA-N -1 0 326.736 2.419 20 5 EEBDRM O=C([O-])c1ccc(Cl)c(Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC001602359662 1350503381 /nfs/dbraw/zinc/50/33/81/1350503381.db2.gz XOUJPANBYANWTO-UHFFFAOYSA-N -1 0 326.652 2.099 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC001602380404 1350507465 /nfs/dbraw/zinc/50/74/65/1350507465.db2.gz KZMCJXKFRMUIOL-UHFFFAOYSA-N -1 0 330.252 2.274 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC001602386078 1350508297 /nfs/dbraw/zinc/50/82/97/1350508297.db2.gz BTDHJAYLHRDDFR-QWHCGFSZSA-N -1 0 335.312 2.261 20 5 EEBDRM O=C([O-])c1cccc(OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC001602447391 1350521380 /nfs/dbraw/zinc/52/13/80/1350521380.db2.gz AMRZSMHRVQVGJF-UHFFFAOYSA-N -1 0 331.236 2.241 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])c1 ZINC001602530473 1350539754 /nfs/dbraw/zinc/53/97/54/1350539754.db2.gz PYGNZKDDJSJBTA-CBAPKCEASA-N -1 0 335.238 2.210 20 5 EEBDRM O=C([O-])c1cnc(NC[C@H]2CCCN2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC001602531074 1350539876 /nfs/dbraw/zinc/53/98/76/1350539876.db2.gz XIDLIWJNWFOYFF-SECBINFHSA-N -1 0 348.281 2.127 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001602984432 1350618277 /nfs/dbraw/zinc/61/82/77/1350618277.db2.gz LUFKXFANLZJWNU-GKUQOKNUSA-N -1 0 348.355 2.138 20 5 EEBDRM CC(=O)N1Cc2ccc(Nc3nccc(C(=O)[O-])c3[N+](=O)[O-])cc2C1 ZINC001603031103 1350624892 /nfs/dbraw/zinc/62/48/92/1350624892.db2.gz DQDVHITUMYVGDD-UHFFFAOYSA-N -1 0 342.311 2.294 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCCC[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604313013 1350913282 /nfs/dbraw/zinc/91/32/82/1350913282.db2.gz DLRMGSOUNKDJGX-GHMZBOCLSA-N -1 0 335.360 2.177 20 5 EEBDRM C[C@]12COC[C@@H]1CN(c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC001604606934 1350968964 /nfs/dbraw/zinc/96/89/64/1350968964.db2.gz VJJBNRBDQKFQLL-RTHLEPHNSA-N -1 0 326.736 2.419 20 5 EEBDRM C[C@@H]1C[C@H](C)CN(C(=O)COc2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001604655306 1350978336 /nfs/dbraw/zinc/97/83/36/1350978336.db2.gz QMMNNOZWYINABF-PHIMTYICSA-N -1 0 336.344 2.176 20 5 EEBDRM CN(C)c1cncc(Nc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])c1 ZINC001604704197 1350988193 /nfs/dbraw/zinc/98/81/93/1350988193.db2.gz XLCHAOHVJIXTMJ-UHFFFAOYSA-N -1 0 332.349 2.041 20 5 EEBDRM C[C@H]1CCCC[C@@H]1NC(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604726737 1350992357 /nfs/dbraw/zinc/99/23/57/1350992357.db2.gz OAAIYKBUVUVEPZ-JQWIXIFHSA-N -1 0 336.344 2.367 20 5 EEBDRM C[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC001604812606 1351012820 /nfs/dbraw/zinc/01/28/20/1351012820.db2.gz YXHWCASEVWMNIU-QPUJVOFHSA-N -1 0 348.277 2.378 20 5 EEBDRM CC[C@@H](C)CN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001604955045 1351038575 /nfs/dbraw/zinc/03/85/75/1351038575.db2.gz BJLHILVVYDWYPL-SNVBAGLBSA-N -1 0 344.389 2.350 20 5 EEBDRM CCCc1ccc(C(=O)Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)cc1 ZINC001605373577 1351147600 /nfs/dbraw/zinc/14/76/00/1351147600.db2.gz CTUNFUZECFXUPJ-UHFFFAOYSA-N -1 0 344.323 2.290 20 5 EEBDRM CCO[C@@H](C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)C ZINC001605589380 1351196293 /nfs/dbraw/zinc/19/62/93/1351196293.db2.gz JXNOMORSZBBDIO-CYBMUJFWSA-N -1 0 325.317 2.397 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC001607258052 1351460005 /nfs/dbraw/zinc/46/00/05/1351460005.db2.gz FHXNMHCZXSGGGU-QPJJXVBHSA-N -1 0 346.295 2.224 20 5 EEBDRM C[C@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC001607461178 1351497516 /nfs/dbraw/zinc/49/75/16/1351497516.db2.gz DMGDVKUHPZOVRP-JTQLQIEISA-N -1 0 335.360 2.400 20 5 EEBDRM Cc1c(Br)cc(C(=O)OC2(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001607503516 1351506670 /nfs/dbraw/zinc/50/66/70/1351506670.db2.gz ZPVAKVRQFGXPGJ-UHFFFAOYSA-N -1 0 344.117 2.440 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001607620901 1351526631 /nfs/dbraw/zinc/52/66/31/1351526631.db2.gz HZTBTSZQLIKKRU-UHFFFAOYSA-N -1 0 329.312 2.486 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001607654933 1351533991 /nfs/dbraw/zinc/53/39/91/1351533991.db2.gz JWFNIUYTLUOAHD-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1cc(N2CCN(CC(C)(F)F)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607668970 1351536220 /nfs/dbraw/zinc/53/62/20/1351536220.db2.gz YZHWSOMEHNXMGX-UHFFFAOYSA-N -1 0 343.330 2.379 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCSC[C@H](C(=O)[O-])C2)c1C ZINC001607824752 1351565913 /nfs/dbraw/zinc/56/59/13/1351565913.db2.gz FDLATDWJQGQTJX-LLVKDONJSA-N -1 0 338.385 2.101 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)c1 ZINC001607825068 1351566003 /nfs/dbraw/zinc/56/60/03/1351566003.db2.gz MMQGIVVZROMHGO-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM Cn1ncc(CCCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)n1 ZINC001608157909 1351637484 /nfs/dbraw/zinc/63/74/84/1351637484.db2.gz RNENMJZMTGZSOJ-UHFFFAOYSA-N -1 0 339.739 2.120 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC001608274376 1351661227 /nfs/dbraw/zinc/66/12/27/1351661227.db2.gz BJNLALTXRYMYNC-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC001608343712 1351674867 /nfs/dbraw/zinc/67/48/67/1351674867.db2.gz ZPLNUKNMMLHSFE-ZDUSSCGKSA-N -1 0 349.387 2.404 20 5 EEBDRM C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000177712268 1405762300 /nfs/dbraw/zinc/76/23/00/1405762300.db2.gz YXHBCOORJXVOQJ-WDEREUQCSA-N -1 0 326.374 2.226 20 5 EEBDRM Cc1n[nH]c(C(=O)NCC2(Nc3ccccc3[N+](=O)[O-])CCC2)c1[O-] ZINC001111798350 769671546 /nfs/dbraw/zinc/67/15/46/769671546.db2.gz LNXXPIQODXXFLJ-UHFFFAOYSA-N -1 0 345.359 2.097 20 5 EEBDRM Cc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000170673484 790960532 /nfs/dbraw/zinc/96/05/32/790960532.db2.gz BZDUPTXROKRWDI-UHFFFAOYSA-N -1 0 348.380 2.259 20 5 EEBDRM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000819935651 785731310 /nfs/dbraw/zinc/73/13/10/785731310.db2.gz ULZAHIOMVSUFMS-MNOVXSKESA-N -1 0 326.374 2.226 20 5 EEBDRM CO[C@@]1(C(=O)[O-])CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000910480136 786810114 /nfs/dbraw/zinc/81/01/14/786810114.db2.gz PIFOXTIKQIJIPM-LBPRGKRZSA-N -1 0 334.250 2.294 20 5 EEBDRM C[C@]1(C(=O)[O-])CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000910479477 786810357 /nfs/dbraw/zinc/81/03/57/786810357.db2.gz LAPAQFFCDFVBQJ-GFCCVEGCSA-N -1 0 334.250 2.294 20 5 EEBDRM CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000843953244 788752082 /nfs/dbraw/zinc/75/20/82/788752082.db2.gz IVPOVYNTKZPBIA-SFHVURJKSA-N -1 0 342.351 2.206 20 5 EEBDRM CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000843957425 788755080 /nfs/dbraw/zinc/75/50/80/788755080.db2.gz QXEAOMGGKLFZMK-SFHVURJKSA-N -1 0 342.351 2.206 20 5 EEBDRM CCO[C@@H]1COCC[C@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210146 788927706 /nfs/dbraw/zinc/92/77/06/788927706.db2.gz PLXPWMRGTAFHNV-ZZEYUXRUSA-N -1 0 336.344 2.299 20 5 EEBDRM CCCS(=O)(=O)[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000174357765 792088945 /nfs/dbraw/zinc/08/89/45/792088945.db2.gz GRYNGRPCRALXLM-UHFFFAOYSA-N -1 0 340.279 2.083 20 5 EEBDRM COc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C(N)=O)c1 ZINC001174508060 797785879 /nfs/dbraw/zinc/78/58/79/797785879.db2.gz VYZAWKOXCYSUEF-UHFFFAOYSA-N -1 0 331.284 2.144 20 5 EEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000786766175 806881830 /nfs/dbraw/zinc/88/18/30/806881830.db2.gz LNZHBQDWOQCQOG-NSHDSACASA-N -1 0 348.277 2.341 20 5 EEBDRM CC(C)(C)/C=C\C(=O)NCC1(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001110086513 807658343 /nfs/dbraw/zinc/65/83/43/807658343.db2.gz FUZBUUKAQBOSAM-XQRVVYSFSA-N -1 0 334.376 2.358 20 5 EEBDRM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000804485155 810882607 /nfs/dbraw/zinc/88/26/07/810882607.db2.gz PBWDSZPOUZDPMW-BZNIZROVSA-N -1 0 330.340 2.461 20 5 EEBDRM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000804471944 810890906 /nfs/dbraw/zinc/89/09/06/810890906.db2.gz SDJOFBSMIAKHBC-BDJLRTHQSA-N -1 0 330.340 2.461 20 5 EEBDRM COc1ccc([C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000346004602 939128494 /nfs/dbraw/zinc/12/84/94/939128494.db2.gz YZOSGJRRJCJGPQ-MRXNPFEDSA-N -1 0 344.323 2.088 20 5 EEBDRM O=C([O-])c1cccnc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001595261105 949664435 /nfs/dbraw/zinc/66/44/35/949664435.db2.gz URRCILFSQREHJY-UHFFFAOYSA-N -1 0 343.251 2.186 20 5 EEBDRM O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CO1 ZINC001595003503 951166636 /nfs/dbraw/zinc/16/66/36/951166636.db2.gz GBKRMZVAUXALHX-BDAKNGLRSA-N -1 0 342.735 2.457 20 5 EEBDRM O=C([O-])CC[C@@H]1Cc2ccccc2N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001595024520 951331885 /nfs/dbraw/zinc/33/18/85/951331885.db2.gz GSUZJVHLNMOKJR-CYBMUJFWSA-N -1 0 344.371 2.335 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC001594763045 953516146 /nfs/dbraw/zinc/51/61/46/953516146.db2.gz JHHQLHIIDPMMDA-UHFFFAOYSA-N -1 0 330.300 2.052 20 5 EEBDRM O=C([O-])c1c[nH]nc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001594817100 953872624 /nfs/dbraw/zinc/87/26/24/953872624.db2.gz QQCLKMUGLFVEAC-UHFFFAOYSA-N -1 0 344.205 2.287 20 5 EEBDRM O=C([O-])C1(C(=O)OCc2ccc([N+](=O)[O-])cc2)CCSCC1 ZINC001594875407 954371633 /nfs/dbraw/zinc/37/16/33/954371633.db2.gz AJPKXEJJIIFIKT-UHFFFAOYSA-N -1 0 325.342 2.236 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001594708845 956865571 /nfs/dbraw/zinc/86/55/71/956865571.db2.gz XNZHZSRULOZDLN-OAHLLOKOSA-N -1 0 332.287 2.219 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001594307335 957979880 /nfs/dbraw/zinc/97/98/80/957979880.db2.gz LBAJUWQRQOCQLN-UHFFFAOYSA-N -1 0 336.691 2.297 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001594112465 958528008 /nfs/dbraw/zinc/52/80/08/958528008.db2.gz UVDSRBNFPCSLMQ-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594409441 958935361 /nfs/dbraw/zinc/93/53/61/958935361.db2.gz CNPBIPINAQZCNH-ZDUSSCGKSA-N -1 0 349.387 2.419 20 5 EEBDRM O=C([O-])C1(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000164837368 959264146 /nfs/dbraw/zinc/26/41/46/959264146.db2.gz QWVCUSCCLNOQHG-UHFFFAOYSA-N -1 0 343.133 2.094 20 5 EEBDRM CC(C)(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001588610236 959505502 /nfs/dbraw/zinc/50/55/02/959505502.db2.gz YIGOTBFVHSZQRU-ZJUUUORDSA-N -1 0 338.335 2.381 20 5 EEBDRM C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001573725252 960397926 /nfs/dbraw/zinc/39/79/26/960397926.db2.gz BIDCOHIRMCRUKP-ZWNOBZJWSA-N -1 0 338.335 2.236 20 5 EEBDRM CC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(=O)[O-] ZINC001573803959 960837818 /nfs/dbraw/zinc/83/78/18/960837818.db2.gz JNGRPZIEOXGXOI-SECBINFHSA-N -1 0 332.316 2.375 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](C(=O)[O-])C2)cc1C ZINC001573903290 961435957 /nfs/dbraw/zinc/43/59/57/961435957.db2.gz NPONZMULTVVAKW-LLVKDONJSA-N -1 0 336.344 2.381 20 5 EEBDRM CC(C)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(=O)[O-] ZINC001588946900 962560817 /nfs/dbraw/zinc/56/08/17/962560817.db2.gz UHHONIYZXSHOLV-CYBMUJFWSA-N -1 0 332.316 2.374 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C(=O)[O-] ZINC001603426187 973154919 /nfs/dbraw/zinc/15/49/19/973154919.db2.gz BYZYKPCIBAPNPE-SCZZXKLOSA-N -1 0 326.736 2.431 20 5 EEBDRM COc1cc(COC(=O)c2ncccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604717007 973918102 /nfs/dbraw/zinc/91/81/02/973918102.db2.gz YVUOOPLWFUNGIV-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2ccccc12)C(=O)[O-] ZINC001591876013 976223588 /nfs/dbraw/zinc/22/35/88/976223588.db2.gz GJXMITNMQMDTOG-INIZCTEOSA-N -1 0 346.339 2.352 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001592278324 977562687 /nfs/dbraw/zinc/56/26/87/977562687.db2.gz SVFNXKNJVXRYJU-AWEZNQCLSA-N -1 0 342.298 2.446 20 5 EEBDRM CC[C@H](O)CCCNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595328757 980557142 /nfs/dbraw/zinc/55/71/42/980557142.db2.gz VFKNOGQURDEDND-NSHDSACASA-N -1 0 339.348 2.274 20 5 EEBDRM CCC(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594801515 981897900 /nfs/dbraw/zinc/89/79/00/981897900.db2.gz NSIRJCSCJXMIGV-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM CCCCC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(=O)[O-] ZINC001595686535 982175426 /nfs/dbraw/zinc/17/54/26/982175426.db2.gz CSSARTFDCUYQMK-GFCCVEGCSA-N -1 0 344.389 2.444 20 5 EEBDRM CCCN(C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)c1cccc([N+](=O)[O-])c1 ZINC001595823103 982697744 /nfs/dbraw/zinc/69/77/44/982697744.db2.gz SFWIPNUPTYZRNB-BPNCWPANSA-N -1 0 336.344 2.216 20 5 EEBDRM CCOC(=O)N1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001596646111 984659975 /nfs/dbraw/zinc/65/99/75/984659975.db2.gz ISTTZLPJYUENEE-RNZFLTOJSA-N -1 0 349.343 2.335 20 5 EEBDRM C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC001599917023 985071754 /nfs/dbraw/zinc/07/17/54/985071754.db2.gz TUTOSGTYMLEMKB-QFYYESIMSA-N -1 0 338.335 2.236 20 5 EEBDRM CCOc1cc(NC(=O)N2CC[C@@](F)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001597042448 986492879 /nfs/dbraw/zinc/49/28/79/986492879.db2.gz RAFNCZBCRKMUCM-AWEZNQCLSA-N -1 0 341.295 2.024 20 5 EEBDRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC001597335869 987472559 /nfs/dbraw/zinc/47/25/59/987472559.db2.gz FWOHRXOERBAOKA-NSHDSACASA-N -1 0 347.331 2.299 20 5 EEBDRM CC(C)(C)CCS(=O)(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001589780155 988148116 /nfs/dbraw/zinc/14/81/16/988148116.db2.gz OJPFWZQMWYTUID-UHFFFAOYSA-N -1 0 331.346 2.438 20 5 EEBDRM CCc1ccc(OS(=O)(=O)CC2(CC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC001597557759 988298674 /nfs/dbraw/zinc/29/86/74/988298674.db2.gz PIFWQQSYQCLCMD-UHFFFAOYSA-N -1 0 343.357 2.121 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001597563468 988315245 /nfs/dbraw/zinc/31/52/45/988315245.db2.gz MPXHOIUVHXAHTB-ONGXEEELSA-N -1 0 343.286 2.245 20 5 EEBDRM CC(C)(C)n1cnc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001590603029 990262899 /nfs/dbraw/zinc/26/28/99/990262899.db2.gz MRCGFPDVOZRDIP-UHFFFAOYSA-N -1 0 349.347 2.017 20 5 EEBDRM CN(C(=O)c1c(F)cccc1[N+](=O)[O-])c1nc(CC(=O)[O-])cs1 ZINC001598073073 990374451 /nfs/dbraw/zinc/37/44/51/990374451.db2.gz QGBBTVYAWRURBM-UHFFFAOYSA-N -1 0 339.304 2.094 20 5 EEBDRM CN(C)C(=O)[C@H]1CCC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598118817 990530884 /nfs/dbraw/zinc/53/08/84/990530884.db2.gz OSVMKXQOMMGMHO-JQWIXIFHSA-N -1 0 335.360 2.352 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171700 994033466 /nfs/dbraw/zinc/03/34/66/994033466.db2.gz YMYGIJVIMXTINA-ZWNOBZJWSA-N -1 0 347.371 2.034 20 5 EEBDRM CNc1c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001598677241 994867042 /nfs/dbraw/zinc/86/70/42/994867042.db2.gz JZCJTLAYBMVEGB-CYBMUJFWSA-N -1 0 343.339 2.062 20 5 EEBDRM C[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(=O)[O-] ZINC001593528086 995575707 /nfs/dbraw/zinc/57/57/07/995575707.db2.gz RCYBVBDVDUJUOF-JTQLQIEISA-N -1 0 337.328 2.139 20 5 EEBDRM CC1=C(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CCCO1 ZINC001594092090 998046987 /nfs/dbraw/zinc/04/69/87/998046987.db2.gz KAIRWCBHOQCUKU-MRXNPFEDSA-N -1 0 334.328 2.095 20 5 EEBDRM COc1cc(C(=O)Nc2ncc(C(=O)[O-])s2)cc([N+](=O)[O-])c1C ZINC001599356277 998184600 /nfs/dbraw/zinc/18/46/00/998184600.db2.gz FAJDMFWRAWOUQD-UHFFFAOYSA-N -1 0 337.313 2.319 20 5 EEBDRM COCC(C)(C)CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599144724 998192537 /nfs/dbraw/zinc/19/25/37/998192537.db2.gz IKOWGWXNNAYNDX-INIZCTEOSA-N -1 0 338.360 2.074 20 5 EEBDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccccc2[N+](=O)[O-])c1O ZINC001599361408 998267692 /nfs/dbraw/zinc/26/76/92/998267692.db2.gz HSLFYEUJZXILRQ-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001594400548 999499022 /nfs/dbraw/zinc/49/90/22/999499022.db2.gz HVCCTXUNFDOCAR-YGRLFVJLSA-N -1 0 338.335 2.378 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000187745635 529458973 /nfs/dbraw/zinc/45/89/73/529458973.db2.gz LRRXBVNOVMBGMG-MRTUKWCHSA-N -1 0 340.401 2.110 20 5 EEBDRM Cc1noc(C)c1C[C@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000192969582 239959821 /nfs/dbraw/zinc/95/98/21/239959821.db2.gz DWYITNSSNUIYLG-QMMMGPOBSA-N -1 0 347.327 2.259 20 5 EEBDRM CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000078245845 217033285 /nfs/dbraw/zinc/03/32/85/217033285.db2.gz DVPOWUBOMJNMIZ-RSPIHXBNSA-N -1 0 340.401 2.110 20 5 EEBDRM CN(CCC(=O)[O-])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188807 218267264 /nfs/dbraw/zinc/26/72/64/218267264.db2.gz XULINMBWFURVJC-UHFFFAOYSA-N -1 0 346.137 2.296 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)OC(C)(C)C ZINC000268824884 252274676 /nfs/dbraw/zinc/27/46/76/252274676.db2.gz JTUPNOQRMFOEOR-CYBMUJFWSA-N -1 0 338.360 2.397 20 5 EEBDRM CN(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000185157473 255936780 /nfs/dbraw/zinc/93/67/80/255936780.db2.gz YTWRGGYQDHRIGS-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM CCn1nc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C1CC1 ZINC000267421858 256057656 /nfs/dbraw/zinc/05/76/56/256057656.db2.gz KZJYDWKNOUJJFR-UHFFFAOYSA-N -1 0 336.373 2.489 20 5 EEBDRM COC(=O)c1cc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])oc1C ZINC000267901826 256094987 /nfs/dbraw/zinc/09/49/87/256094987.db2.gz BTFFFDOFCPODSY-UHFFFAOYSA-N -1 0 348.311 2.261 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273322816 256286976 /nfs/dbraw/zinc/28/69/76/256286976.db2.gz LDOCDUXHYLMIHK-ABAIWWIYSA-N -1 0 338.385 2.085 20 5 EEBDRM Cc1ccc(-c2nc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000356805029 292031287 /nfs/dbraw/zinc/03/12/87/292031287.db2.gz POZKFDKHIZEVKQ-UHFFFAOYSA-N -1 0 329.272 2.239 20 5 EEBDRM CSc1ccc(C(=O)N[C@H](CC(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000262447875 152280663 /nfs/dbraw/zinc/28/06/63/152280663.db2.gz HLEOZLPNNQFHQX-SSDOTTSWSA-N -1 0 334.300 2.155 20 5 EEBDRM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1(C)C ZINC000262836293 152325075 /nfs/dbraw/zinc/32/50/75/152325075.db2.gz QUMKOULMCCRFKI-ZEGGKSINSA-N -1 0 336.344 2.082 20 5 EEBDRM COC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000080788089 159144447 /nfs/dbraw/zinc/14/44/47/159144447.db2.gz LKALEVVJEXEZMX-LLVKDONJSA-N -1 0 340.357 2.162 20 5 EEBDRM CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)c1cccs1 ZINC000089541089 159183090 /nfs/dbraw/zinc/18/30/90/159183090.db2.gz ZNAGNWRWVWDHDT-UHFFFAOYSA-N -1 0 335.341 2.073 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000457349980 286773100 /nfs/dbraw/zinc/77/31/00/286773100.db2.gz OHRNLAQPRICTNI-SNVBAGLBSA-N -1 0 344.389 2.085 20 5 EEBDRM CC[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000236989387 160219888 /nfs/dbraw/zinc/21/98/88/160219888.db2.gz CZLOEMRLKSUTOD-SNVBAGLBSA-N -1 0 335.341 2.311 20 5 EEBDRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])cc1F)n1cc([N+](=O)[O-])cn1 ZINC000343106362 161103832 /nfs/dbraw/zinc/10/38/32/161103832.db2.gz XWYFHPCZOJUCBP-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM O=C([O-])CN(Cc1ccccc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000346026542 161351030 /nfs/dbraw/zinc/35/10/30/161351030.db2.gz MYWDAJOCKYSILI-UHFFFAOYSA-N -1 0 344.323 2.087 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(Cc2cccs2)CC1 ZINC000356226309 163371405 /nfs/dbraw/zinc/37/14/05/163371405.db2.gz RPKAPYVWADLIOJ-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM O=C(NCc1ccn(-c2ccccc2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356332407 163409032 /nfs/dbraw/zinc/40/90/32/163409032.db2.gz FBITXCPAAXULFX-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000360604432 164349566 /nfs/dbraw/zinc/34/95/66/164349566.db2.gz KAQSEYIOJGDLQW-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160427019 273985701 /nfs/dbraw/zinc/98/57/01/273985701.db2.gz VOIQTZWZQABTMZ-YPMHNXCESA-N -1 0 349.387 2.114 20 5 EEBDRM O=C([N-]OC1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000271652823 274147322 /nfs/dbraw/zinc/14/73/22/274147322.db2.gz IPWYPYTYRCSBHI-UHFFFAOYSA-N -1 0 327.724 2.177 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000288606886 275075278 /nfs/dbraw/zinc/07/52/78/275075278.db2.gz KFTOEULGQVYOAU-QMMMGPOBSA-N -1 0 326.296 2.008 20 5 EEBDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000292351087 275415408 /nfs/dbraw/zinc/41/54/08/275415408.db2.gz QTSDRUDXDWZBFA-PSASIEDQSA-N -1 0 332.282 2.026 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000297364653 294223386 /nfs/dbraw/zinc/22/33/86/294223386.db2.gz SGEBYTFLDFKWAS-LBPRGKRZSA-N -1 0 347.371 2.274 20 5 EEBDRM Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000365470353 303005828 /nfs/dbraw/zinc/00/58/28/303005828.db2.gz ZSTHWVCBONFCEP-LBPRGKRZSA-N -1 0 330.344 2.054 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)n1 ZINC000160662892 311357521 /nfs/dbraw/zinc/35/75/21/311357521.db2.gz WZUXDPYYYHQLMV-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CO[C@@H]1[C@H](C)[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000332449228 312008976 /nfs/dbraw/zinc/00/89/76/312008976.db2.gz LXLAOUUZZKIEAY-OXHMUOHRSA-N -1 0 346.380 2.072 20 5 EEBDRM C[C@H](O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000421806888 314169154 /nfs/dbraw/zinc/16/91/54/314169154.db2.gz MZZLZARKSJAZMN-BQBZGAKWSA-N -1 0 348.258 2.013 20 5 EEBDRM COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc21 ZINC000436970625 315018055 /nfs/dbraw/zinc/01/80/55/315018055.db2.gz FHCWUQQMWNJIGB-ZDUSSCGKSA-N -1 0 342.307 2.217 20 5 EEBDRM CN(CCCC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436978283 315018413 /nfs/dbraw/zinc/01/84/13/315018413.db2.gz HTODYYATFSNLGK-UHFFFAOYSA-N -1 0 338.360 2.494 20 5 EEBDRM Cc1cc(C(=O)NCc2cccc(OCC(=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000439900946 315101726 /nfs/dbraw/zinc/10/17/26/315101726.db2.gz JSIOVQPSAGAQEV-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM CCc1cccnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000443425722 315246707 /nfs/dbraw/zinc/24/67/07/315246707.db2.gz YZFCITPUWLXJGE-UHFFFAOYSA-N -1 0 337.357 2.362 20 5 EEBDRM COc1cc(/C=C/c2ccncn2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000536574300 318001904 /nfs/dbraw/zinc/00/19/04/318001904.db2.gz AGDLMIVHINQHOY-NSCUHMNNSA-N -1 0 331.284 2.027 20 5 EEBDRM CNc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000537373827 318016639 /nfs/dbraw/zinc/01/66/39/318016639.db2.gz QLAFJLASNVXTCB-AWEZNQCLSA-N -1 0 343.339 2.062 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000537479676 318017899 /nfs/dbraw/zinc/01/78/99/318017899.db2.gz RWPPXHCDCOXRFL-UHFFFAOYSA-N -1 0 330.296 2.102 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000537768899 318026529 /nfs/dbraw/zinc/02/65/29/318026529.db2.gz NWSLBHPDQPGHBD-LLVKDONJSA-N -1 0 347.371 2.420 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000540704348 318077424 /nfs/dbraw/zinc/07/74/24/318077424.db2.gz YFXAFQFHBUMVSE-RFAUZJTJSA-N -1 0 338.385 2.445 20 5 EEBDRM O=C(Nc1nncn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000548454695 318389880 /nfs/dbraw/zinc/38/98/80/318389880.db2.gz RLZHTUQJYMUJEK-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000559077547 318738623 /nfs/dbraw/zinc/73/86/23/318738623.db2.gz PUGQLUKJYSRWCL-LLVKDONJSA-N -1 0 344.389 2.084 20 5 EEBDRM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563192833 318981759 /nfs/dbraw/zinc/98/17/59/318981759.db2.gz ANTCXSHUPZVKEY-MFKMUULPSA-N -1 0 326.736 2.251 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](CC2CC2)C(=O)[O-])c1 ZINC000563630872 319032622 /nfs/dbraw/zinc/03/26/22/319032622.db2.gz NHBQEUHFBPGJGG-NSHDSACASA-N -1 0 336.344 2.224 20 5 EEBDRM CN(Cc1cn2c(n1)CCCC2)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565040454 319142324 /nfs/dbraw/zinc/14/23/24/319142324.db2.gz FJBDTXDYUCBFEY-UHFFFAOYSA-N -1 0 330.344 2.462 20 5 EEBDRM Cc1cc(NC[C@H](C)CC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000565041542 319142952 /nfs/dbraw/zinc/14/29/52/319142952.db2.gz UYQNZPAJWVGZQJ-SNVBAGLBSA-N -1 0 330.344 2.305 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000565835254 319219366 /nfs/dbraw/zinc/21/93/66/319219366.db2.gz ARIUFFFUIJLDQK-UHFFFAOYSA-N -1 0 331.328 2.398 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](COC(F)F)C2)n1 ZINC000566563384 319300942 /nfs/dbraw/zinc/30/09/42/319300942.db2.gz GSDQHKPEUAKPHB-MRVPVSSYSA-N -1 0 331.275 2.062 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)NC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000568888808 319528064 /nfs/dbraw/zinc/52/80/64/319528064.db2.gz FBNTWGXWKDOZRM-UHFFFAOYSA-N -1 0 342.373 2.294 20 5 EEBDRM O=C(NCc1noc(-c2cccs2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000573607503 319950252 /nfs/dbraw/zinc/95/02/52/319950252.db2.gz PJRTZYDOHNFJSL-UHFFFAOYSA-N -1 0 346.324 2.342 20 5 EEBDRM O=C([O-])c1ccnc(N2C[C@H](O)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000576351417 320164434 /nfs/dbraw/zinc/16/44/34/320164434.db2.gz XQCRLONHWQNUKF-YPMHNXCESA-N -1 0 329.312 2.000 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@H](O)CCc2ccccc2)c1[N+](=O)[O-] ZINC000583146321 324603338 /nfs/dbraw/zinc/60/33/38/324603338.db2.gz VLDFWNHSECJWJN-GFCCVEGCSA-N -1 0 331.328 2.094 20 5 EEBDRM COc1cc(C(=O)Nc2ccccc2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000325821747 465031347 /nfs/dbraw/zinc/03/13/47/465031347.db2.gz RRMORHKBQKRHPG-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000325992099 465032994 /nfs/dbraw/zinc/03/29/94/465032994.db2.gz DBAXTXVKLOBVNM-ORNKZXEXSA-N -1 0 330.340 2.320 20 5 EEBDRM Cc1c(CNC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000326372010 465038840 /nfs/dbraw/zinc/03/88/40/465038840.db2.gz JUDCFRGUQSGMCJ-YGRLFVJLSA-N -1 0 335.360 2.298 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000327620070 465053719 /nfs/dbraw/zinc/05/37/19/465053719.db2.gz NOYHCUKGVWJJMJ-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM CN1C(=O)CCc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])ccc21 ZINC000092546127 462961285 /nfs/dbraw/zinc/96/12/85/462961285.db2.gz PPYJSTIFMQPJOR-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)ccc1[N+](=O)[O-] ZINC000095944028 463111346 /nfs/dbraw/zinc/11/13/46/463111346.db2.gz UDTAPQTUPCHICL-UHFFFAOYSA-N -1 0 326.334 2.210 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(N)=O)c([N+](=O)[O-])c1 ZINC000158639753 463243689 /nfs/dbraw/zinc/24/36/89/463243689.db2.gz OHIKNKMRQWCTRC-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1cc(N(C)Cc2nc(=O)c3sccc3[n-]2)ncc1[N+](=O)[O-] ZINC000160578474 463351268 /nfs/dbraw/zinc/35/12/68/463351268.db2.gz NCKWIRIZXMCXJN-UHFFFAOYSA-N -1 0 331.357 2.233 20 5 EEBDRM Cc1sc(S(=O)(=O)N[C@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000124228109 463400302 /nfs/dbraw/zinc/40/03/02/463400302.db2.gz CGBZFNJBKYOJLH-SNVBAGLBSA-N -1 0 336.435 2.040 20 5 EEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)c1 ZINC000041017597 463466126 /nfs/dbraw/zinc/46/61/26/463466126.db2.gz OLVOLMMBPFKLIN-UHFFFAOYSA-N -1 0 326.359 2.125 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)CCCC(=O)[O-])c1[N+](=O)[O-] ZINC000277324656 463911504 /nfs/dbraw/zinc/91/15/04/463911504.db2.gz UUTXJWQWXPDTLK-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])o1 ZINC000194743769 463922477 /nfs/dbraw/zinc/92/24/77/463922477.db2.gz RWGBZMRAUWLRJO-UHFFFAOYSA-N -1 0 326.334 2.040 20 5 EEBDRM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000262094217 463944203 /nfs/dbraw/zinc/94/42/03/463944203.db2.gz BFBQADIPLJWVER-SSDOTTSWSA-N -1 0 334.250 2.454 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000263370733 464093675 /nfs/dbraw/zinc/09/36/75/464093675.db2.gz VGOCGZNWULBLQF-WDEREUQCSA-N -1 0 343.339 2.326 20 5 EEBDRM CN(CCC(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000263463983 464109641 /nfs/dbraw/zinc/10/96/41/464109641.db2.gz FPTHFTVFZLCYCT-UHFFFAOYSA-N -1 0 333.247 2.135 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000236998636 464250474 /nfs/dbraw/zinc/25/04/74/464250474.db2.gz CKCSYDLDPWMRPB-ABAIWWIYSA-N -1 0 337.376 2.402 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000270977481 464272541 /nfs/dbraw/zinc/27/25/41/464272541.db2.gz BAXPSSOECYGZRK-LLVKDONJSA-N -1 0 344.389 2.085 20 5 EEBDRM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000174260831 464385224 /nfs/dbraw/zinc/38/52/24/464385224.db2.gz HZNBMRQHPZQTFK-NRFANRHFSA-N -1 0 340.382 2.133 20 5 EEBDRM O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180776987 464393461 /nfs/dbraw/zinc/39/34/61/464393461.db2.gz SKRDFPAAQCAUSX-LLVKDONJSA-N -1 0 327.296 2.365 20 5 EEBDRM CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCC1CCCC1 ZINC000182136756 464580348 /nfs/dbraw/zinc/58/03/48/464580348.db2.gz LGZFSASLTRJNBL-UHFFFAOYSA-N -1 0 349.387 2.115 20 5 EEBDRM O=c1[n-]nc([C@@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)o1 ZINC000295140578 464719779 /nfs/dbraw/zinc/71/97/79/464719779.db2.gz DRAAQFUNGZXYGM-SECBINFHSA-N -1 0 338.751 2.304 20 5 EEBDRM CO[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000266726484 464801037 /nfs/dbraw/zinc/80/10/37/464801037.db2.gz KONVZXPZUOKOLM-LLVKDONJSA-N -1 0 334.369 2.073 20 5 EEBDRM O=C(NCc1cccc2c1OCCCO2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356758714 465523204 /nfs/dbraw/zinc/52/32/04/465523204.db2.gz CEROYSIMLQVGKF-UHFFFAOYSA-N -1 0 344.323 2.392 20 5 EEBDRM Cn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2c1=O ZINC000357168302 465828576 /nfs/dbraw/zinc/82/85/76/465828576.db2.gz SZSTTXMTSDRSJI-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM Cn1c(C(=O)N=c2nc(-c3ccccc3)[n-]s2)ccc1[N+](=O)[O-] ZINC000340287817 465954713 /nfs/dbraw/zinc/95/47/13/465954713.db2.gz MCLRDKQCPKOZNA-UHFFFAOYSA-N -1 0 329.341 2.126 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)ccc1[N+](=O)[O-] ZINC000357345609 465968804 /nfs/dbraw/zinc/96/88/04/465968804.db2.gz YSCAAYVPPIMFJA-UHFFFAOYSA-N -1 0 348.340 2.286 20 5 EEBDRM Cc1sc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000331778609 466242440 /nfs/dbraw/zinc/24/24/40/466242440.db2.gz FSNSFHQGYKJQFK-MRVPVSSYSA-N -1 0 338.345 2.073 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000347320992 466561896 /nfs/dbraw/zinc/56/18/96/466561896.db2.gz ZOVSPHZJOWHZSQ-UHFFFAOYSA-N -1 0 347.274 2.231 20 5 EEBDRM COc1cc(CNc2ccc(OC(F)F)cn2)cc([N+](=O)[O-])c1[O-] ZINC000427280558 467148388 /nfs/dbraw/zinc/14/83/88/467148388.db2.gz MAFYJCZMEDYWBG-UHFFFAOYSA-N -1 0 341.270 2.918 20 5 EEBDRM COc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1OC ZINC000427677617 467172467 /nfs/dbraw/zinc/17/24/67/467172467.db2.gz HKMMYVKJDWZPAS-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000391698386 467422659 /nfs/dbraw/zinc/42/26/59/467422659.db2.gz PSQDXSSCSKOIRA-NSHDSACASA-N -1 0 336.344 2.320 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@H](C)C1 ZINC000435954449 467506638 /nfs/dbraw/zinc/50/66/38/467506638.db2.gz QRSCYFKXLYDBKW-GZMMTYOYSA-N -1 0 342.373 2.068 20 5 EEBDRM C[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000493204880 467862423 /nfs/dbraw/zinc/86/24/23/467862423.db2.gz JQGWDDKJEUTTDA-UWFPGCEJSA-N -1 0 336.319 2.459 20 5 EEBDRM O=C(/C=C\C1CCCC1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000493654604 467957637 /nfs/dbraw/zinc/95/76/37/467957637.db2.gz HJPDZSWBOAHKEH-WAYWQWQTSA-N -1 0 342.348 2.285 20 5 EEBDRM COC(=O)NCc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000494400407 468053103 /nfs/dbraw/zinc/05/31/03/468053103.db2.gz TZTJBWDBZIREIP-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM O=C([O-])Cn1cc(/C=C\c2nc3cc([N+](=O)[O-])ccc3s2)nn1 ZINC000494475092 468059873 /nfs/dbraw/zinc/05/98/73/468059873.db2.gz LRYAHRSIAIRTDY-RJRFIUFISA-N -1 0 331.313 2.051 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NCC2CCCC2)cc1[N+](=O)[O-] ZINC000518972050 468132492 /nfs/dbraw/zinc/13/24/92/468132492.db2.gz JLMCDCGCZYGQDX-UHFFFAOYSA-N -1 0 342.373 2.070 20 5 EEBDRM Cc1ccc(NCCCNC(=O)C[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000519710651 468198407 /nfs/dbraw/zinc/19/84/07/468198407.db2.gz QICLBYCKMPDIBH-GFCCVEGCSA-N -1 0 337.376 2.322 20 5 EEBDRM CC[C@H](COCC(F)(F)F)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578656105 468234850 /nfs/dbraw/zinc/23/48/50/468234850.db2.gz IBFDCEWSLAKKOO-SSDOTTSWSA-N -1 0 337.254 2.457 20 5 EEBDRM O=C([O-])C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)cc1 ZINC000520241858 468236891 /nfs/dbraw/zinc/23/68/91/468236891.db2.gz OPMGJWSREMSXFU-UHFFFAOYSA-N -1 0 338.751 2.032 20 5 EEBDRM Cc1cc(N2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582668724 468575343 /nfs/dbraw/zinc/57/53/43/468575343.db2.gz GZCBVWPFPLQQGE-PELKAZGASA-N -1 0 348.277 2.351 20 5 EEBDRM C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594464194 468596205 /nfs/dbraw/zinc/59/62/05/468596205.db2.gz TXTMCYVEWKJXBK-WCFLWFBJSA-N -1 0 334.372 2.389 20 5 EEBDRM CCC(CC)NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000570448242 468639789 /nfs/dbraw/zinc/63/97/89/468639789.db2.gz QPYMOBZGOTVROM-UHFFFAOYSA-N -1 0 330.362 2.068 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570827643 468700645 /nfs/dbraw/zinc/70/06/45/468700645.db2.gz UNSKWSYQGHWJQU-ZDUSSCGKSA-N -1 0 349.368 2.252 20 5 EEBDRM CC(C)(C)c1nnc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])s1 ZINC000592977171 468832567 /nfs/dbraw/zinc/83/25/67/468832567.db2.gz JZWOQCJCXPNBRX-UHFFFAOYSA-N -1 0 337.361 2.449 20 5 EEBDRM O=C([O-])c1cnc(N2CC[C@@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000592976849 468832699 /nfs/dbraw/zinc/83/26/99/468832699.db2.gz BWXUBEALNPDTFV-CYBMUJFWSA-N -1 0 347.302 2.485 20 5 EEBDRM COC[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000571924965 468859026 /nfs/dbraw/zinc/85/90/26/468859026.db2.gz UNRCDPXPMANZOV-VIFPVBQESA-N -1 0 328.752 2.452 20 5 EEBDRM O=C([O-])c1cc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccn1 ZINC000593323557 468939463 /nfs/dbraw/zinc/93/94/63/468939463.db2.gz QETLOAWKPFEFJO-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM O=C([O-])C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000562390705 468949227 /nfs/dbraw/zinc/94/92/27/468949227.db2.gz PDIOASRCFNFATC-UHFFFAOYSA-N -1 0 326.736 2.162 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598735172 468978460 /nfs/dbraw/zinc/97/84/60/468978460.db2.gz RENFXMQDHXVHTE-UHFFFAOYSA-N -1 0 342.402 2.457 20 5 EEBDRM O=C([O-])[C@H]1CCCCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000619541758 469634627 /nfs/dbraw/zinc/63/46/27/469634627.db2.gz SPCHZPHHIZKWJV-CQSZACIVSA-N -1 0 335.360 2.176 20 5 EEBDRM COC(=O)c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000619870700 469691977 /nfs/dbraw/zinc/69/19/77/469691977.db2.gz LMRBAQOUAONTNW-UHFFFAOYSA-N -1 0 330.296 2.017 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000738106446 577999661 /nfs/dbraw/zinc/99/96/61/577999661.db2.gz QHISNCKUBGSCAT-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000734736516 577323626 /nfs/dbraw/zinc/32/36/26/577323626.db2.gz HWDHANLYDSJUOU-VIFPVBQESA-N -1 0 326.374 2.144 20 5 EEBDRM Cc1cc2nc(C)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])n2n1 ZINC000770855245 577604868 /nfs/dbraw/zinc/60/48/68/577604868.db2.gz BCAXTUDVUIBCNI-UHFFFAOYSA-N -1 0 327.300 2.212 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000761426634 577683625 /nfs/dbraw/zinc/68/36/25/577683625.db2.gz CDBRNQXSHSDFHV-VIFPVBQESA-N -1 0 344.389 2.091 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000755910971 577834068 /nfs/dbraw/zinc/83/40/68/577834068.db2.gz SYFKBVPPBHOUGV-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])s1 ZINC000742283910 577870476 /nfs/dbraw/zinc/87/04/76/577870476.db2.gz WSMDEJUYGAIZQX-SECBINFHSA-N -1 0 327.387 2.399 20 5 EEBDRM Cc1ncccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000745995724 577921015 /nfs/dbraw/zinc/92/10/15/577921015.db2.gz FKOGIUQDZSTPDC-UHFFFAOYSA-N -1 0 338.301 2.007 20 5 EEBDRM O=C([O-])CCCCOC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738576174 578019898 /nfs/dbraw/zinc/01/98/98/578019898.db2.gz XOGRRONWZUUXEP-UHFFFAOYSA-N -1 0 334.284 2.260 20 5 EEBDRM Cc1ccc(S(=O)(=O)Oc2ccsc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000738660711 578023168 /nfs/dbraw/zinc/02/31/68/578023168.db2.gz UHUDZIXVNFYVAV-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc([N+](=O)[O-])c1 ZINC000738669467 578023323 /nfs/dbraw/zinc/02/33/23/578023323.db2.gz OSCWKACPTGWGGZ-UHFFFAOYSA-N -1 0 344.327 2.036 20 5 EEBDRM O=C([O-])Cc1cccc(OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000739888442 578071682 /nfs/dbraw/zinc/07/16/82/578071682.db2.gz LUANQZPEWQIDOY-UHFFFAOYSA-N -1 0 345.263 2.170 20 5 EEBDRM CCC[C@](C)(NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000736958384 578231202 /nfs/dbraw/zinc/23/12/02/578231202.db2.gz AGVIHERPWGNPQE-HNNXBMFYSA-N -1 0 334.332 2.378 20 5 EEBDRM CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000737399474 578255053 /nfs/dbraw/zinc/25/50/53/578255053.db2.gz KLFDKTMHNUJSSD-INIZCTEOSA-N -1 0 343.339 2.291 20 5 EEBDRM COC(=O)N1CCC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737632738 578267705 /nfs/dbraw/zinc/26/77/05/578267705.db2.gz IGLMAMPSKOUUQU-PZBABLGHSA-N -1 0 349.343 2.335 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000821510206 597430663 /nfs/dbraw/zinc/43/06/63/597430663.db2.gz DKWFWTYVZJYYHO-LBPRGKRZSA-N -1 0 332.316 2.084 20 5 EEBDRM O=C([O-])c1ccccc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000821399928 598180931 /nfs/dbraw/zinc/18/09/31/598180931.db2.gz POQTUTMPNQUERJ-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM O=C([O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000263431422 600824282 /nfs/dbraw/zinc/82/42/82/600824282.db2.gz SWLYVBPNJSPEKW-LBPRGKRZSA-N -1 0 347.371 2.132 20 5 EEBDRM COc1ccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC000832356669 600963432 /nfs/dbraw/zinc/96/34/32/600963432.db2.gz HZSWPYIGBFBWTR-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM O=C([O-])Nc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000833291080 601226876 /nfs/dbraw/zinc/22/68/76/601226876.db2.gz DMXRCVMXYJWLBS-UHFFFAOYSA-N -1 0 338.297 2.452 20 5 EEBDRM CCCCC[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000829340469 601403588 /nfs/dbraw/zinc/40/35/88/601403588.db2.gz PSYQENLJLBGSNU-CYBMUJFWSA-N -1 0 344.389 2.048 20 5 EEBDRM CC[C@H]1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829133821 601562992 /nfs/dbraw/zinc/56/29/92/601562992.db2.gz FRIAMLSVFKCUKG-QWRGUYRKSA-N -1 0 335.360 2.034 20 5 EEBDRM Cc1cc(C2=N/C(=C\c3c[nH]c(C(=O)[O-])c3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000832881223 601789466 /nfs/dbraw/zinc/78/94/66/601789466.db2.gz LZINXQYTCZSQOX-SDQBBNPISA-N -1 0 341.279 2.274 20 5 EEBDRM CC(C)(CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000164855731 601819041 /nfs/dbraw/zinc/81/90/41/601819041.db2.gz RQQCQDHEGWHDTL-UHFFFAOYSA-N -1 0 345.149 2.198 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N[C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000833251644 602013394 /nfs/dbraw/zinc/01/33/94/602013394.db2.gz AAFACGIQILAFSG-SECBINFHSA-N -1 0 343.286 2.009 20 5 EEBDRM Cc1cc(N2CCC[C@@H]2Cn2cccn2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889956 602316839 /nfs/dbraw/zinc/31/68/39/602316839.db2.gz BXSSCBACVPHRPN-GFCCVEGCSA-N -1 0 330.344 2.467 20 5 EEBDRM Cc1cc(N2CCCN(C(=O)C(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891212 602317174 /nfs/dbraw/zinc/31/71/74/602317174.db2.gz OUPBIHYHYDXBHD-UHFFFAOYSA-N -1 0 349.387 2.296 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000833772903 605124098 /nfs/dbraw/zinc/12/40/98/605124098.db2.gz LUMRWEGTEPKBHR-SECBINFHSA-N -1 0 344.270 2.179 20 5 EEBDRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000824217502 605324554 /nfs/dbraw/zinc/32/45/54/605324554.db2.gz FZCCHWCZRKPYRO-LBPRGKRZSA-N -1 0 328.296 2.459 20 5 EEBDRM CC1=C(C(=O)[O-])[C@@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1 ZINC000833577391 605341440 /nfs/dbraw/zinc/34/14/40/605341440.db2.gz PQZGEDQBDVOBKT-SNVBAGLBSA-N -1 0 327.749 2.126 20 5 EEBDRM O=C(Nc1ccc(-n2ccnc2)nc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000124647861 686073003 /nfs/dbraw/zinc/07/30/03/686073003.db2.gz DYEMODMRUIBUAR-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc(F)c2[N+](=O)[O-])nc1C ZINC000863948204 1197934910 /nfs/dbraw/zinc/93/49/10/1197934910.db2.gz VTRDEWQHCARCGI-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866284396 1201483863 /nfs/dbraw/zinc/48/38/63/1201483863.db2.gz BYGZFNXFHRWDCD-LBPRGKRZSA-N -1 0 335.257 2.381 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c2c(c1=O)CC1(CC2)OCCO1 ZINC000887287240 1204255189 /nfs/dbraw/zinc/25/51/89/1204255189.db2.gz RGFZLBPWRUJKIH-LBPRGKRZSA-N -1 0 331.328 2.149 20 5 EEBDRM COc1cc(O)cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000779843858 1211600260 /nfs/dbraw/zinc/60/02/60/1211600260.db2.gz LLWSEXCYQCADNM-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM O=C(NC[C@]1(O)CCCc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119067710 1229444560 /nfs/dbraw/zinc/44/45/60/1229444560.db2.gz SIYQGEPQUYXJLZ-GOSISDBHSA-N -1 0 342.351 2.254 20 5 EEBDRM O=C([N-]OCC1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000850717627 1277311001 /nfs/dbraw/zinc/31/10/01/1277311001.db2.gz MTUNMECPSWINKQ-UHFFFAOYSA-N -1 0 327.724 2.035 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC2(CCC2)C1 ZINC000850885215 1277380624 /nfs/dbraw/zinc/38/06/24/1277380624.db2.gz ASRRKNBYTGNCEK-UHFFFAOYSA-N -1 0 342.348 2.119 20 5 EEBDRM CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885458 1277380875 /nfs/dbraw/zinc/38/08/75/1277380875.db2.gz FUTPJRGUAWRAML-MWLCHTKSSA-N -1 0 344.364 2.221 20 5 EEBDRM CC1(C)C(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000850888572 1277381364 /nfs/dbraw/zinc/38/13/64/1277381364.db2.gz LKGPOXWIANKXOX-UHFFFAOYSA-N -1 0 344.364 2.221 20 5 EEBDRM O=c1[n-]c(C2CC2)nc(OC[C@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC001228604992 1302333992 /nfs/dbraw/zinc/33/39/92/1302333992.db2.gz ZLZFVEJLLPMRLK-LLVKDONJSA-N -1 0 329.312 2.350 20 5 EEBDRM COc1cc(=O)[n-]c(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001228922331 1302525096 /nfs/dbraw/zinc/52/50/96/1302525096.db2.gz ZACRGAYMZCRQHV-UHFFFAOYSA-N -1 0 346.343 2.147 20 5 EEBDRM Cc1cn2c(n1)[C@@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])CCC2 ZINC001231076123 1303613818 /nfs/dbraw/zinc/61/38/18/1303613818.db2.gz KVXNCASIXXOFJA-ZETCQYMHSA-N -1 0 325.712 2.163 20 5 EEBDRM CCOC(=O)[C@H]1CCC[C@H]1Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231219600 1303687553 /nfs/dbraw/zinc/68/75/53/1303687553.db2.gz ARVRVSQQSLHLBP-QPUJVOFHSA-N -1 0 340.288 2.319 20 5 EEBDRM O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC001231252999 1303702985 /nfs/dbraw/zinc/70/29/85/1303702985.db2.gz KFEVORWBNBQPLJ-OAHLLOKOSA-N -1 0 345.307 2.393 20 5 EEBDRM CC[C@@H](O)C(=O)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234743065 1305017476 /nfs/dbraw/zinc/01/74/76/1305017476.db2.gz XHWCHXOETSFKKY-SNVBAGLBSA-N -1 0 330.292 2.034 20 5 EEBDRM O=C(NCc1ccc(-c2nnco2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001116946149 1305933036 /nfs/dbraw/zinc/93/30/36/1305933036.db2.gz QKWAKJJKRGHBAS-UHFFFAOYSA-N -1 0 340.295 2.280 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)C(=O)[N-]OC2CCCCC2)cc1[N+](=O)[O-] ZINC001117535756 1306104310 /nfs/dbraw/zinc/10/43/10/1306104310.db2.gz KRXITMVSSBVESQ-GFCCVEGCSA-N -1 0 349.387 2.461 20 5 EEBDRM COc1nccc(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)c1F ZINC001247988580 1310811514 /nfs/dbraw/zinc/81/15/14/1310811514.db2.gz XSXCPPALPCIALY-UHFFFAOYSA-N -1 0 346.274 2.484 20 5 EEBDRM CCc1ccc(S(=O)(=O)N[C@](C)(CC)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000829830178 1314518141 /nfs/dbraw/zinc/51/81/41/1314518141.db2.gz OKEXUKUJPJRWOU-CQSZACIVSA-N -1 0 344.389 2.079 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000836756885 1315023082 /nfs/dbraw/zinc/02/30/82/1315023082.db2.gz YEIOEVJKCQWKDV-AAEUAGOBSA-N -1 0 347.371 2.130 20 5 EEBDRM Cc1c(OS(=O)(=O)c2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC001600056955 1349963244 /nfs/dbraw/zinc/96/32/44/1349963244.db2.gz QQWXQCHBFPLOHX-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Nc1ncc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001601221053 1350234930 /nfs/dbraw/zinc/23/49/30/1350234930.db2.gz HAMPUGKKVKGULL-NWDGAFQWSA-N -1 0 342.311 2.012 20 5 EEBDRM O=C([O-])C1(c2ccc(Cn3cc([N+](=O)[O-])cc(F)c3=O)cc2)CC1 ZINC001601725237 1350348908 /nfs/dbraw/zinc/34/89/08/1350348908.db2.gz PQWGHSSZKZHVQL-UHFFFAOYSA-N -1 0 332.287 2.060 20 5 EEBDRM CC(C)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C1CC1 ZINC001603646072 1350733344 /nfs/dbraw/zinc/73/33/44/1350733344.db2.gz ZQUNDHHGBCEIFD-UHFFFAOYSA-N -1 0 342.373 2.008 20 5 EEBDRM O=C([O-])[C@H](CNc1ncc([N+](=O)[O-])cc1F)Cc1ccc(O)cc1 ZINC001608540325 1351712511 /nfs/dbraw/zinc/71/25/11/1351712511.db2.gz QNYULQLFUBSQJF-JTQLQIEISA-N -1 0 335.291 2.190 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)cc1Cl ZINC001607709033 1351543842 /nfs/dbraw/zinc/54/38/42/1351543842.db2.gz SAIGILHGWZTNOT-SREGZZRCSA-N -1 0 338.747 2.396 20 5 EEBDRM Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001608073847 1351619760 /nfs/dbraw/zinc/61/97/60/1351619760.db2.gz AVKBFNTVZHVDHW-INIZCTEOSA-N -1 0 345.359 2.081 20 5 EEBDRM O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2cn[n-]c2Cl)c1 ZINC001309257787 1331623133 /nfs/dbraw/zinc/62/31/33/1331623133.db2.gz SAUDANVVIXVSPH-UHFFFAOYSA-N -1 0 338.128 2.392 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001608595442 1351722107 /nfs/dbraw/zinc/72/21/07/1351722107.db2.gz OBTWJCQSQWWLRG-HOCLYGCPSA-N -1 0 346.339 2.265 20 5 EEBDRM Cc1oncc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001309894975 1331646486 /nfs/dbraw/zinc/64/64/86/1331646486.db2.gz QTJWCXCZGLZTSL-UHFFFAOYSA-N -1 0 349.727 2.162 20 5 EEBDRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC001608736069 1351752070 /nfs/dbraw/zinc/75/20/70/1351752070.db2.gz OSAVNSBQBFENQI-DZGCQCFKSA-N -1 0 348.355 2.286 20 5 EEBDRM O=C([O-])c1cc(C2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]n1 ZINC001608840956 1351776694 /nfs/dbraw/zinc/77/66/94/1351776694.db2.gz RPFGTBIQCAHJDS-UHFFFAOYSA-N -1 0 336.735 2.269 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC001608906657 1351791421 /nfs/dbraw/zinc/79/14/21/1351791421.db2.gz NMKIYMUVRKXLEJ-UHFFFAOYSA-N -1 0 345.263 2.283 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC001608988507 1351808735 /nfs/dbraw/zinc/80/87/35/1351808735.db2.gz LJOUVXDJHOTYRP-UHFFFAOYSA-N -1 0 340.238 2.294 20 5 EEBDRM O=C([O-])c1n[nH]c2c1CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC001608994017 1351810259 /nfs/dbraw/zinc/81/02/59/1351810259.db2.gz IAMCPDIVMWTYLY-UHFFFAOYSA-N -1 0 336.735 2.228 20 5 EEBDRM Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001320581409 1332914998 /nfs/dbraw/zinc/91/49/98/1332914998.db2.gz KUBBDJCJMDPYKX-UHFFFAOYSA-N -1 0 342.402 2.372 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)C2 ZINC001609027194 1351818625 /nfs/dbraw/zinc/81/86/25/1351818625.db2.gz FOGFXYJBCXUMOE-BTDLBPIBSA-N -1 0 343.339 2.403 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc3c(c2)CCC3)ccc1[O-] ZINC001323582309 1333492813 /nfs/dbraw/zinc/49/28/13/1333492813.db2.gz CQXFFWGVJRKZBK-UHFFFAOYSA-N -1 0 348.380 2.268 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001609704861 1352063758 /nfs/dbraw/zinc/06/37/58/1352063758.db2.gz CBRCUWVZHJFEKW-UHFFFAOYSA-N -1 0 346.343 2.310 20 5 EEBDRM CCOC(=O)C1(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001610012087 1352140193 /nfs/dbraw/zinc/14/01/93/1352140193.db2.gz CZRDHICIPZNPRZ-GQCTYLIASA-N -1 0 334.328 2.448 20 5 EEBDRM CCc1nc(C)c(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC001610070939 1352155358 /nfs/dbraw/zinc/15/53/58/1352155358.db2.gz IJLBNOFWGKSXTC-UHFFFAOYSA-N -1 0 333.300 2.082 20 5 EEBDRM Cc1nc([C@@H]2CCCCN2c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])no1 ZINC001610437891 1352222157 /nfs/dbraw/zinc/22/21/57/1352222157.db2.gz XMLWHJQPDJCOPZ-NSHDSACASA-N -1 0 347.331 2.419 20 5 EEBDRM Cc1c(NC(=O)C[C@@H](C)c2cnn(C)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610419530 1352219422 /nfs/dbraw/zinc/21/94/22/1352219422.db2.gz MPQGCIZTJSOUKE-SECBINFHSA-N -1 0 346.343 2.467 20 5 EEBDRM O=C([O-])c1c[nH]c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC001610808334 1352278156 /nfs/dbraw/zinc/27/81/56/1352278156.db2.gz XBOOJJVORLWKCE-UHFFFAOYSA-N -1 0 347.312 2.358 20 5 EEBDRM Cc1nn(C)cc1[C@H]1CCCN1c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600104881 1349972370 /nfs/dbraw/zinc/97/23/70/1349972370.db2.gz CFSUOUHDMOPMQC-CYBMUJFWSA-N -1 0 345.359 2.380 20 5 EEBDRM Cc1cc(N2CCC(Nc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC001600238950 1349999338 /nfs/dbraw/zinc/99/93/38/1349999338.db2.gz MGOWZXHZKCWBHO-UHFFFAOYSA-N -1 0 345.359 2.405 20 5 EEBDRM Cc1ccc(OC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC001600469447 1350059479 /nfs/dbraw/zinc/05/94/79/1350059479.db2.gz MADZIZXYAZFEQB-ZDUSSCGKSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1 ZINC001600486657 1350063359 /nfs/dbraw/zinc/06/33/59/1350063359.db2.gz BYABTQMGYRGCLI-QPKOPYBWSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1csc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001600660597 1350112047 /nfs/dbraw/zinc/11/20/47/1350112047.db2.gz NBFHECSQKVGTMQ-UHFFFAOYSA-N -1 0 337.357 2.113 20 5 EEBDRM Cc1nc2ccccc2n1CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600729864 1350123075 /nfs/dbraw/zinc/12/30/75/1350123075.db2.gz FRDFXDLKOFZWJK-UHFFFAOYSA-N -1 0 341.327 2.458 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001600767998 1350132126 /nfs/dbraw/zinc/13/21/26/1350132126.db2.gz DDYSZCRCLXTXRC-UHFFFAOYSA-N -1 0 343.299 2.069 20 5 EEBDRM Cc1oc(C=O)cc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001600840730 1350149072 /nfs/dbraw/zinc/14/90/72/1350149072.db2.gz QIOCUZJEKFGTRL-MRXNPFEDSA-N -1 0 346.295 2.039 20 5 EEBDRM Cn1cc([C@H]2CN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC001600943808 1350173671 /nfs/dbraw/zinc/17/36/71/1350173671.db2.gz MNNTUDPDAHTRIQ-LLVKDONJSA-N -1 0 345.359 2.052 20 5 EEBDRM Cn1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1C(=O)[O-] ZINC001600977369 1350181224 /nfs/dbraw/zinc/18/12/24/1350181224.db2.gz NIYSJZDUEBMLPV-UHFFFAOYSA-N -1 0 334.284 2.077 20 5 EEBDRM NC(=O)CC1CC(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001601147235 1350220313 /nfs/dbraw/zinc/22/03/13/1350220313.db2.gz ATCSYDVLGBEFKN-UHFFFAOYSA-N -1 0 327.724 2.012 20 5 EEBDRM Nc1c(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc2ccccc2c1[N+](=O)[O-] ZINC001601207851 1350231331 /nfs/dbraw/zinc/23/13/31/1350231331.db2.gz WJVFIHHTALESLT-LLVKDONJSA-N -1 0 341.323 2.233 20 5 EEBDRM Nc1c(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001601211947 1350232310 /nfs/dbraw/zinc/23/23/10/1350232310.db2.gz ZFXAMAOLICMUCI-UHFFFAOYSA-N -1 0 333.275 2.196 20 5 EEBDRM O=C([O-])c1cccc(OCC(=O)NCC2CCCCC2)c1[N+](=O)[O-] ZINC001601344024 1350261950 /nfs/dbraw/zinc/26/19/50/1350261950.db2.gz KVHRPHCFXWXTKK-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001601464696 1350289710 /nfs/dbraw/zinc/28/97/10/1350289710.db2.gz INUMEKRZDQWKHY-LLVKDONJSA-N -1 0 334.353 2.330 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001601578048 1350311388 /nfs/dbraw/zinc/31/13/88/1350311388.db2.gz FPKMQEUZIPGYEQ-HLXLPKMUSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC001601649043 1350328134 /nfs/dbraw/zinc/32/81/34/1350328134.db2.gz GPUHPSAXAJYHSN-CFVMTHIKSA-N -1 0 332.356 2.315 20 5 EEBDRM O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCOC1 ZINC001601654375 1350329276 /nfs/dbraw/zinc/32/92/76/1350329276.db2.gz BRVSBRQEGJEWRQ-PWSUYJOCSA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])C12CC(C1)CN2Cc1cc([N+](=O)[O-])ccc1Br ZINC001601727966 1350349419 /nfs/dbraw/zinc/34/94/19/1350349419.db2.gz AIZOUCUXVZNCNJ-UHFFFAOYSA-N -1 0 341.161 2.406 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](O)CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001601770025 1350360259 /nfs/dbraw/zinc/36/02/59/1350360259.db2.gz SIRIQBMKNPDEQU-RQJHMYQMSA-N -1 0 335.143 2.173 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001601826838 1350373842 /nfs/dbraw/zinc/37/38/42/1350373842.db2.gz FMZVYVLHHBMPMC-GFCCVEGCSA-N -1 0 341.323 2.204 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCC[C@H]2CCOC2=O)c([N+](=O)[O-])c1 ZINC001601883043 1350389759 /nfs/dbraw/zinc/38/97/59/1350389759.db2.gz OPDMXPLJOPVPPU-RNZFLTOJSA-N -1 0 334.328 2.448 20 5 EEBDRM O=C([O-])C[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C1CC1 ZINC001601896378 1350392489 /nfs/dbraw/zinc/39/24/89/1350392489.db2.gz GWOWMQMHBROJRF-LLVKDONJSA-N -1 0 349.343 2.464 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001601952587 1350404457 /nfs/dbraw/zinc/40/44/57/1350404457.db2.gz YMVZUYRHNATSGW-SECBINFHSA-N -1 0 344.270 2.276 20 5 EEBDRM O=C([O-])COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC001602091512 1350435231 /nfs/dbraw/zinc/43/52/31/1350435231.db2.gz UUFHQKUISALGIM-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C([O-])COc1cccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001602094770 1350436169 /nfs/dbraw/zinc/43/61/69/1350436169.db2.gz YTLGWSXYQGDTBU-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@H](CO)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC001602126917 1350445733 /nfs/dbraw/zinc/44/57/33/1350445733.db2.gz YOADDWVBTVADML-CYBMUJFWSA-N -1 0 334.328 2.078 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(Cc3cc(Br)c([N+](=O)[O-])s3)C[C@@H]21 ZINC001602204688 1350464626 /nfs/dbraw/zinc/46/46/26/1350464626.db2.gz OFDGAOIIOXALGX-QMSLJYSESA-N -1 0 347.190 2.181 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001602215093 1350468003 /nfs/dbraw/zinc/46/80/03/1350468003.db2.gz DUFNHSVNBUSLPN-DTORHVGOSA-N -1 0 346.261 2.341 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCC2(C3(O)CCC3)CCC2)cc([N+](=O)[O-])c1 ZINC001602246529 1350475636 /nfs/dbraw/zinc/47/56/36/1350475636.db2.gz DWRFBYGYSSSHBG-UHFFFAOYSA-N -1 0 348.355 2.108 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCc2cn3ccccc3n2)cc([N+](=O)[O-])c1 ZINC001602250393 1350476529 /nfs/dbraw/zinc/47/65/29/1350476529.db2.gz GGWXKUVYTPOAAF-UHFFFAOYSA-N -1 0 341.279 2.298 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCc2nnc(C3CC3)s2)cc([N+](=O)[O-])c1 ZINC001602250948 1350477106 /nfs/dbraw/zinc/47/71/06/1350477106.db2.gz PBSRSSSFRIYWCX-UHFFFAOYSA-N -1 0 349.324 2.379 20 5 EEBDRM O=C([O-])c1cccc(C(=O)COC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC001602431460 1350518143 /nfs/dbraw/zinc/51/81/43/1350518143.db2.gz HGEQKDAPWPGOIO-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM O=C([O-])c1coc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC001602551355 1350544432 /nfs/dbraw/zinc/54/44/32/1350544432.db2.gz CJVNOCCDHIHNKN-UHFFFAOYSA-N -1 0 349.251 2.110 20 5 EEBDRM CC(C)C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC001603270969 1350676484 /nfs/dbraw/zinc/67/64/84/1350676484.db2.gz TZCHCFYNGBGMRN-JTQLQIEISA-N -1 0 331.380 2.230 20 5 EEBDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001603289936 1350680671 /nfs/dbraw/zinc/68/06/71/1350680671.db2.gz DNHUQHDCLJUCPX-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM CC(C)SCn1cc(-c2nnn[n-]2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001603379325 1350698509 /nfs/dbraw/zinc/69/85/09/1350698509.db2.gz QRNMXNMIOUKYSQ-UHFFFAOYSA-N -1 0 346.372 2.189 20 5 EEBDRM C[C@](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)(C(=O)[O-])C1CC1 ZINC001604308797 1350912827 /nfs/dbraw/zinc/91/28/27/1350912827.db2.gz XMRKGFBMEMKUHJ-CQSZACIVSA-N -1 0 344.270 2.179 20 5 EEBDRM C[C@H]1C[C@H](C)CN(C(=O)COc2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001604655307 1350978559 /nfs/dbraw/zinc/97/85/59/1350978559.db2.gz QMMNNOZWYINABF-QWRGUYRKSA-N -1 0 336.344 2.176 20 5 EEBDRM Cc1cc(-c2nn[nH]n2)cc(NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC001605532087 1351181890 /nfs/dbraw/zinc/18/18/90/1351181890.db2.gz IVENREFCBDBEAM-UHFFFAOYSA-N -1 0 340.347 2.002 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2ccccc2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001606560727 1351322691 /nfs/dbraw/zinc/32/26/91/1351322691.db2.gz WOVOIVJEUBJXBI-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM COC(=O)c1ccnc(NCc2cccc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001606621691 1351333331 /nfs/dbraw/zinc/33/33/31/1351333331.db2.gz IFNFOUILWRRYHX-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1ccc(-c2nn[nH]n2)cn1 ZINC001607081513 1351409957 /nfs/dbraw/zinc/40/99/57/1351409957.db2.gz CDUYPJAHRCJXJW-UHFFFAOYSA-N -1 0 330.329 2.168 20 5 EEBDRM COc1cc(Cl)ccc1Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O ZINC001607167176 1351441850 /nfs/dbraw/zinc/44/18/50/1351441850.db2.gz MHFSTPRFPYIILW-UHFFFAOYSA-N -1 0 338.703 2.165 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001607655520 1351534456 /nfs/dbraw/zinc/53/44/56/1351534456.db2.gz ZNZRTWDTGPQJCD-UHFFFAOYSA-N -1 0 339.691 2.057 20 5 EEBDRM Cc1ncc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001607983456 1351597877 /nfs/dbraw/zinc/59/78/77/1351597877.db2.gz XKWDXPXHBCTVSY-UHFFFAOYSA-N -1 0 344.327 2.361 20 5 EEBDRM Cc1oc(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001608052857 1351615316 /nfs/dbraw/zinc/61/53/16/1351615316.db2.gz CRHDRUOFZYMLJB-UHFFFAOYSA-N -1 0 345.267 2.059 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)CCc2nccs2)c1 ZINC001608322137 1351670311 /nfs/dbraw/zinc/67/03/11/1351670311.db2.gz KVRGJOKPSUWWEK-UHFFFAOYSA-N -1 0 336.325 2.426 20 5 EEBDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000798901270 1371619677 /nfs/dbraw/zinc/61/96/77/1371619677.db2.gz QUHJURNBNOWKQN-UHFFFAOYSA-N -1 0 334.353 2.163 20 5 EEBDRM CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000835154427 760176268 /nfs/dbraw/zinc/17/62/68/760176268.db2.gz GISSIVJYOGUQDC-PSASIEDQSA-N -1 0 332.403 2.143 20 5 EEBDRM C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000920327738 770676345 /nfs/dbraw/zinc/67/63/45/770676345.db2.gz KGPFSFPFMCWKPW-JTQLQIEISA-N -1 0 329.312 2.058 20 5 EEBDRM O=C([O-])CCCCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000238165485 774764906 /nfs/dbraw/zinc/76/49/06/774764906.db2.gz XYODXWVXDQYSSH-UHFFFAOYSA-N -1 0 346.343 2.155 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)nc1 ZINC000125879102 775243702 /nfs/dbraw/zinc/24/37/02/775243702.db2.gz IWHPLDVXWLLGDI-UHFFFAOYSA-N -1 0 349.368 2.034 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nn1C ZINC000817352341 784691528 /nfs/dbraw/zinc/69/15/28/784691528.db2.gz DQYUHUSGTNBLKC-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM COC(=O)[C@@H]([N-]c1ccc2nsnc2c1[N+](=O)[O-])C(F)(F)F ZINC001171015488 787730013 /nfs/dbraw/zinc/73/00/13/787730013.db2.gz OVFXCXJNTKJCKM-MRVPVSSYSA-N -1 0 336.251 2.115 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2COc3ccccc3C2)n1 ZINC000844207096 788925291 /nfs/dbraw/zinc/92/52/91/788925291.db2.gz XBVJCQZEXIXMLL-JTQLQIEISA-N -1 0 329.312 2.351 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCO[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000844212168 788931119 /nfs/dbraw/zinc/93/11/19/788931119.db2.gz CMLGHHKIEOTTAB-OAHLLOKOSA-N -1 0 332.312 2.393 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](O)c1ccc(F)cc1 ZINC000780685476 789125316 /nfs/dbraw/zinc/12/53/16/789125316.db2.gz UOFAEYHKBYPGBB-VFZGTOFNSA-N -1 0 334.303 2.291 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC000806029753 790176453 /nfs/dbraw/zinc/17/64/53/790176453.db2.gz QKLMNSHPXUGQCU-VIFPVBQESA-N -1 0 344.414 2.074 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000171479517 791372732 /nfs/dbraw/zinc/37/27/32/791372732.db2.gz HSMCJWBGODYYFD-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[N-]OC[C@H]1CCOC1 ZINC000788121102 807379579 /nfs/dbraw/zinc/37/95/79/807379579.db2.gz YPAJOSHTBFQPSD-UWVGGRQHSA-N -1 0 344.751 2.100 20 5 EEBDRM COc1cc(C(=O)[N-]S(=O)(=O)CCC(C)C)cc([N+](=O)[O-])c1C ZINC000791800748 809425214 /nfs/dbraw/zinc/42/52/14/809425214.db2.gz CIRCTELVJIORLD-UHFFFAOYSA-N -1 0 344.389 2.018 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000346001758 939128338 /nfs/dbraw/zinc/12/83/38/939128338.db2.gz VTDPQGNHNHCFOD-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001595012648 951266388 /nfs/dbraw/zinc/26/63/88/951266388.db2.gz CLFQJPQYMHHVRF-NSHDSACASA-N -1 0 338.335 2.380 20 5 EEBDRM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594757164 953471908 /nfs/dbraw/zinc/47/19/08/953471908.db2.gz JUNNCKAZFJPFDH-BETUJISGSA-N -1 0 335.360 2.080 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001589297958 953660647 /nfs/dbraw/zinc/66/06/47/953660647.db2.gz BTMUHXITCXKCDV-BQPHKTIFSA-N -1 0 332.356 2.410 20 5 EEBDRM C[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C(=O)[O-] ZINC001589325136 953896196 /nfs/dbraw/zinc/89/61/96/953896196.db2.gz IIZWQZNBRPRVKR-QLJPJBMISA-N -1 0 345.355 2.330 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001593714748 954201158 /nfs/dbraw/zinc/20/11/58/954201158.db2.gz KYSSCMAOBYLBOL-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM O=C([O-])[C@]1(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC=CCC1 ZINC001594878597 954398061 /nfs/dbraw/zinc/39/80/61/954398061.db2.gz LCUDRBDZNOUGOA-AWEZNQCLSA-N -1 0 336.256 2.220 20 5 EEBDRM O=C([O-])C1(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCCCCC1 ZINC001594884443 954450012 /nfs/dbraw/zinc/45/00/12/954450012.db2.gz BRVLZXBPJZIAGM-UHFFFAOYSA-N -1 0 348.402 2.112 20 5 EEBDRM O=C([O-])c1cccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000841484979 955587295 /nfs/dbraw/zinc/58/72/95/955587295.db2.gz FWKFANDGFCEJQS-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM C[C@](O)(CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC001589148783 956325694 /nfs/dbraw/zinc/32/56/94/956325694.db2.gz ZXOXMCCLXXSICL-HNNXBMFYSA-N -1 0 335.291 2.043 20 5 EEBDRM Cc1cc(OCC(=O)NCc2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001594328695 958198448 /nfs/dbraw/zinc/19/84/48/958198448.db2.gz XLDUMKDHWVCETN-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594329697 958206867 /nfs/dbraw/zinc/20/68/67/958206867.db2.gz LLXMNKVDWFUTTK-ZDUSSCGKSA-N -1 0 349.387 2.419 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2(CC(=O)[O-])CCC2)c1 ZINC001594381354 958625855 /nfs/dbraw/zinc/62/58/55/958625855.db2.gz TXEVHRVTYVBVTJ-UHFFFAOYSA-N -1 0 336.344 2.186 20 5 EEBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)[O-] ZINC001594251990 959617136 /nfs/dbraw/zinc/61/71/36/959617136.db2.gz CYJAAIOBVQVUQF-ZCFIWIBFSA-N -1 0 332.106 2.296 20 5 EEBDRM Cc1c(COC(=O)C2(CC(=O)[O-])CCOCC2)cccc1[N+](=O)[O-] ZINC001594262235 959702940 /nfs/dbraw/zinc/70/29/40/959702940.db2.gz XMPINGKROYJUDO-UHFFFAOYSA-N -1 0 337.328 2.218 20 5 EEBDRM Cn1ccnc1C[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001328605732 961216319 /nfs/dbraw/zinc/21/63/19/961216319.db2.gz DALLRDUVOZMVON-GFCCVEGCSA-N -1 0 344.371 2.486 20 5 EEBDRM CC(C)(CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C(=O)[O-] ZINC001588775063 961274548 /nfs/dbraw/zinc/27/45/48/961274548.db2.gz BQBOGLPPXBIRHO-UHFFFAOYSA-N -1 0 347.730 2.200 20 5 EEBDRM C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001603355174 972798001 /nfs/dbraw/zinc/79/80/01/972798001.db2.gz PDNBDHCRMRBESS-GMTAPVOTSA-N -1 0 338.335 2.407 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001603360698 972829172 /nfs/dbraw/zinc/82/91/72/972829172.db2.gz WUFYSKPTZBGNIH-GXSJLCMTSA-N -1 0 340.763 2.360 20 5 EEBDRM COC(=O)c1cnc(NCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001604403292 973148671 /nfs/dbraw/zinc/14/86/71/973148671.db2.gz LLLVFOISGMNETA-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM CC(C)O[C@@]1(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC001591696922 975541077 /nfs/dbraw/zinc/54/10/77/975541077.db2.gz TVGHKVSNZQRYJN-HNNXBMFYSA-N -1 0 325.317 2.256 20 5 EEBDRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001592216798 977285323 /nfs/dbraw/zinc/28/53/23/977285323.db2.gz KEJCJDSVOJFMPV-UDIARPCQSA-N -1 0 347.352 2.477 20 5 EEBDRM CC[C@@H](COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC001595182489 979806451 /nfs/dbraw/zinc/80/64/51/979806451.db2.gz HGGGBFKZKGMKHR-JTQLQIEISA-N -1 0 333.300 2.048 20 5 EEBDRM CCOc1ccc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000864198637 979870934 /nfs/dbraw/zinc/87/09/34/979870934.db2.gz YYQIBQIMYSRWGD-MRXNPFEDSA-N -1 0 336.344 2.367 20 5 EEBDRM C[C@@](NC(=O)/C=C\c1cccnc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593010352 980242120 /nfs/dbraw/zinc/24/21/20/980242120.db2.gz FRTKLOQFIOJNGZ-QWPQOLDESA-N -1 0 341.323 2.119 20 5 EEBDRM O=C([O-])c1cnc(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)cn1 ZINC001595266711 980281624 /nfs/dbraw/zinc/28/16/24/980281624.db2.gz RLJDXSNRDAWTBK-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM C[C@](NC(=O)Cc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593045256 980335441 /nfs/dbraw/zinc/33/54/41/980335441.db2.gz ZCQXEQJLYGLCSM-QGZVFWFLSA-N -1 0 346.314 2.393 20 5 EEBDRM CCCOc1ccc(OCCn2cc([N+](=O)[O-])c(C(=O)[O-])n2)cc1 ZINC001595965371 983167059 /nfs/dbraw/zinc/16/70/59/983167059.db2.gz NZZDEXRIDUYLCS-UHFFFAOYSA-N -1 0 335.316 2.357 20 5 EEBDRM C/C(=C/CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588967103 984765325 /nfs/dbraw/zinc/76/53/25/984765325.db2.gz OSLNFVFDRYWWNQ-YWEYNIOJSA-N -1 0 344.776 2.487 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001589002361 984948465 /nfs/dbraw/zinc/94/84/65/984948465.db2.gz QGAGUTPMDVYTKD-CHOZFAJLSA-N -1 0 336.369 2.027 20 5 EEBDRM Cc1[nH]c(C(=O)COc2ccc([N+](=O)[O-])cc2C=O)c(C)c1C(=O)[O-] ZINC001599947861 985559501 /nfs/dbraw/zinc/55/95/01/985559501.db2.gz RIYXQGFNYJCEPI-UHFFFAOYSA-N -1 0 346.295 2.312 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC001594488781 985587204 /nfs/dbraw/zinc/58/72/04/985587204.db2.gz JSTXTEBKAMNFBW-SNVBAGLBSA-N -1 0 334.328 2.077 20 5 EEBDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1csc([N+](=O)[O-])c1 ZINC001596912728 985921076 /nfs/dbraw/zinc/92/10/76/985921076.db2.gz ZEYANHSMNZIQCO-JTQLQIEISA-N -1 0 344.389 2.246 20 5 EEBDRM CC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1O ZINC001589277463 985996868 /nfs/dbraw/zinc/99/68/68/985996868.db2.gz RXMXTEJBVARHPA-UHFFFAOYSA-N -1 0 344.279 2.454 20 5 EEBDRM CCO[C@@]1(C)C[C@H]1NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001596981415 986242563 /nfs/dbraw/zinc/24/25/63/986242563.db2.gz VMLTTWRMUGIOGT-DOMZBBRYSA-N -1 0 337.332 2.290 20 5 EEBDRM C[C@H](C(=O)N[C@@](C)(CCF)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589380926 986460897 /nfs/dbraw/zinc/46/08/97/986460897.db2.gz JOSSGFFBDNIUCS-RTHLEPHNSA-N -1 0 330.287 2.157 20 5 EEBDRM CC(C)(C(=O)OCc1ccsc1C(=O)[O-])n1cc([N+](=O)[O-])cn1 ZINC001589681479 987712370 /nfs/dbraw/zinc/71/23/70/987712370.db2.gz SUJOFKDFUFRPQT-UHFFFAOYSA-N -1 0 339.329 2.030 20 5 EEBDRM CC(C)[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC001591045376 991417935 /nfs/dbraw/zinc/41/79/35/991417935.db2.gz DFWNRHONMNTBCZ-CYBMUJFWSA-N -1 0 333.300 2.047 20 5 EEBDRM CN(CCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccccn1 ZINC001598482914 992179332 /nfs/dbraw/zinc/17/93/32/992179332.db2.gz IXCWHOMNMJVZPK-UHFFFAOYSA-N -1 0 331.332 2.021 20 5 EEBDRM C[S@](=O)C1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001599776450 992308531 /nfs/dbraw/zinc/30/85/31/992308531.db2.gz WJZNKLWDRBKMBV-NRFANRHFSA-N -1 0 332.765 2.269 20 5 EEBDRM CN(CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])CC(F)F ZINC001598495597 992355456 /nfs/dbraw/zinc/35/54/56/992355456.db2.gz KPXSJRDMBVVQNV-HWKANZROSA-N -1 0 329.303 2.301 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171036 994028980 /nfs/dbraw/zinc/02/89/80/994028980.db2.gz RADPWWBJFUMHCW-MNOVXSKESA-N -1 0 349.387 2.423 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001599622046 994097581 /nfs/dbraw/zinc/09/75/81/994097581.db2.gz MPIYUGRZQCRYGG-OBJOEFQTSA-N -1 0 348.355 2.319 20 5 EEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)c1nncn1C ZINC001593366331 995050083 /nfs/dbraw/zinc/05/00/83/995050083.db2.gz VLTLODRDRBOOQM-ZCFIWIBFSA-N -1 0 325.712 2.248 20 5 EEBDRM CC1(C(=O)[O-])CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001593804937 996532909 /nfs/dbraw/zinc/53/29/09/996532909.db2.gz MOEZGJLACMHFSH-UHFFFAOYSA-N -1 0 332.234 2.160 20 5 EEBDRM CO[C@]1(C(=O)[O-])CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001599078114 996926708 /nfs/dbraw/zinc/92/67/08/996926708.db2.gz PGQWJQCPPCEBPO-GFCCVEGCSA-N -1 0 334.250 2.294 20 5 EEBDRM COCC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599210131 997484633 /nfs/dbraw/zinc/48/46/33/997484633.db2.gz CCORSXTVGCHQSR-QMMMGPOBSA-N -1 0 325.321 2.148 20 5 EEBDRM COc1cc(COC(=O)c2ccncc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599417600 997537049 /nfs/dbraw/zinc/53/70/49/997537049.db2.gz IOAVBPVOBCFTID-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COCCc1ccnc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001599265241 998456683 /nfs/dbraw/zinc/45/66/83/998456683.db2.gz PSGJGOQFPZEHQT-UHFFFAOYSA-N -1 0 345.311 2.129 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001594158550 998585976 /nfs/dbraw/zinc/58/59/76/998585976.db2.gz ISAPCXXRXMLCTK-CBAPKCEASA-N -1 0 344.270 2.131 20 5 EEBDRM C[C@@H]1C[C@@H]1CNc1nc(NC[C@H]2C[C@H]2C)c([N+](=O)[O-])c(C(=O)[O-])n1 ZINC001594278457 999078529 /nfs/dbraw/zinc/07/85/29/999078529.db2.gz XUGNNOYTQGHGDE-ZYUZMQFOSA-N -1 0 335.364 2.219 20 5 EEBDRM O=C([O-])C1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCC1 ZINC000237973897 304033036 /nfs/dbraw/zinc/03/30/36/304033036.db2.gz PPKBMWAIGNKKFX-UHFFFAOYSA-N -1 0 347.371 2.322 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000194949595 240777333 /nfs/dbraw/zinc/77/73/33/240777333.db2.gz UQCYDRIGXLNIBL-UHFFFAOYSA-N -1 0 345.149 2.293 20 5 EEBDRM CCC(CC)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000424253328 240880610 /nfs/dbraw/zinc/88/06/10/240880610.db2.gz RTJRZZSVNOIBAM-UHFFFAOYSA-N -1 0 338.360 2.371 20 5 EEBDRM CCC[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000263129208 245337936 /nfs/dbraw/zinc/33/79/36/245337936.db2.gz HIHQKNWMJWQXGY-LLVKDONJSA-N -1 0 346.343 2.011 20 5 EEBDRM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)CCC1CCC1 ZINC000493251916 246665832 /nfs/dbraw/zinc/66/58/32/246665832.db2.gz JLSLFDSHCQTWQE-HJWRWDBZSA-N -1 0 338.385 2.244 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000262496022 152285275 /nfs/dbraw/zinc/28/52/75/152285275.db2.gz XIEIXCITJKTEBM-UHFFFAOYSA-N -1 0 331.328 2.403 20 5 EEBDRM O=C([O-])C1(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCC1 ZINC000262572077 152293320 /nfs/dbraw/zinc/29/33/20/152293320.db2.gz NHOJXWOKQYFCJY-UHFFFAOYSA-N -1 0 331.328 2.063 20 5 EEBDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000262831892 152324992 /nfs/dbraw/zinc/32/49/92/152324992.db2.gz BRXARNCYKVPRSY-JTQLQIEISA-N -1 0 346.343 2.353 20 5 EEBDRM CCOC(=O)c1cc(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000263189986 152399204 /nfs/dbraw/zinc/39/92/04/152399204.db2.gz LCTYDBUZGSDLRV-GHMZBOCLSA-N -1 0 336.344 2.319 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263247139 152408456 /nfs/dbraw/zinc/40/84/56/152408456.db2.gz OLIJZTZTRKLPRX-YPMHNXCESA-N -1 0 335.360 2.470 20 5 EEBDRM CCc1cccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000128609909 292344917 /nfs/dbraw/zinc/34/49/17/292344917.db2.gz NCPCLMZOXOXKLE-UHFFFAOYSA-N -1 0 343.339 2.231 20 5 EEBDRM CN(C)C(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000092546198 159222652 /nfs/dbraw/zinc/22/26/52/159222652.db2.gz HKOFXUQJEPCIMO-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM CCC(CC)(NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000336895821 160571472 /nfs/dbraw/zinc/57/14/72/160571472.db2.gz ZTDXFICMKBWKNE-UHFFFAOYSA-N -1 0 346.343 2.154 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3c2cccc3F)ccc1[O-] ZINC000185600373 160042909 /nfs/dbraw/zinc/04/29/09/160042909.db2.gz IBJYJXPJQKRWEF-UHFFFAOYSA-N -1 0 338.316 2.191 20 5 EEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)o1 ZINC000337420485 160645841 /nfs/dbraw/zinc/64/58/41/160645841.db2.gz UMBQEVSQKBNUFA-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000346485629 161376082 /nfs/dbraw/zinc/37/60/82/161376082.db2.gz HUTASEHCOOCZFT-UHFFFAOYSA-N -1 0 342.304 2.254 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000272680158 269007604 /nfs/dbraw/zinc/00/76/04/269007604.db2.gz NFYPUPHEEDQXTM-SECBINFHSA-N -1 0 347.293 2.009 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000274839063 269061633 /nfs/dbraw/zinc/06/16/33/269061633.db2.gz VBWSBWZEJHEYGR-UHFFFAOYSA-N -1 0 346.261 2.284 20 5 EEBDRM CC(C)(NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc([N+](=O)[O-])cc1 ZINC000236679621 274080304 /nfs/dbraw/zinc/08/03/04/274080304.db2.gz ABYJEMQTFKJBSW-UHFFFAOYSA-N -1 0 329.312 2.353 20 5 EEBDRM O=C([O-])CCN(C1CCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000275306350 274239242 /nfs/dbraw/zinc/23/92/42/274239242.db2.gz NPTVBASLBNOTOT-UHFFFAOYSA-N -1 0 342.373 2.003 20 5 EEBDRM O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000290844413 275245589 /nfs/dbraw/zinc/24/55/89/275245589.db2.gz HNRCOBKDSNKBKP-CRAIPNDOSA-N -1 0 342.351 2.196 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000292581463 275450498 /nfs/dbraw/zinc/45/04/98/275450498.db2.gz PKSRNCQBSNSHHU-HUUCEWRRSA-N -1 0 332.356 2.474 20 5 EEBDRM CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(=O)[O-] ZINC000424372133 279165886 /nfs/dbraw/zinc/16/58/86/279165886.db2.gz HDBHJIHESSNJDF-SNVBAGLBSA-N -1 0 344.389 2.157 20 5 EEBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCCc2c1cnn2C ZINC000183443916 288921948 /nfs/dbraw/zinc/92/19/48/288921948.db2.gz MQOGRIXGKKHLOW-LBPRGKRZSA-N -1 0 330.344 2.184 20 5 EEBDRM O=C(NC1CCN(c2nccs2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000281715607 292780504 /nfs/dbraw/zinc/78/05/04/292780504.db2.gz RDWAHDWRUSFBAE-UHFFFAOYSA-N -1 0 348.384 2.156 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000325185748 295027806 /nfs/dbraw/zinc/02/78/06/295027806.db2.gz AGILZQVUFYECOL-SNVBAGLBSA-N -1 0 339.348 2.472 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000416530227 313248118 /nfs/dbraw/zinc/24/81/18/313248118.db2.gz RGAPYZRKYVXAQK-TXEJJXNPSA-N -1 0 328.390 2.138 20 5 EEBDRM CC[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416559228 313257421 /nfs/dbraw/zinc/25/74/21/313257421.db2.gz NSDWRGZOUAPHHJ-KOLCDFICSA-N -1 0 334.781 2.094 20 5 EEBDRM CC(C)n1cc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])nn1 ZINC000422074931 314177860 /nfs/dbraw/zinc/17/78/60/314177860.db2.gz ZUFXJWWPTNUMRX-UHFFFAOYSA-N -1 0 333.348 2.138 20 5 EEBDRM CCC(=O)c1ccc([O-])c(NC(=O)c2n[nH]c(CC)c2[N+](=O)[O-])c1 ZINC000436645093 314983228 /nfs/dbraw/zinc/98/32/28/314983228.db2.gz LMEYDEBGABPABY-UHFFFAOYSA-N -1 0 332.316 2.431 20 5 EEBDRM O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436748078 314994926 /nfs/dbraw/zinc/99/49/26/314994926.db2.gz DLBAZCLODFNGQC-LLVKDONJSA-N -1 0 345.330 2.448 20 5 EEBDRM CC(C)c1nnc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])s1 ZINC000436771042 314996499 /nfs/dbraw/zinc/99/64/99/314996499.db2.gz RXJPNGASFBHQJQ-UHFFFAOYSA-N -1 0 336.373 2.248 20 5 EEBDRM COc1ccc([C@@H](CCO)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436921025 315012993 /nfs/dbraw/zinc/01/29/93/315012993.db2.gz IRDWAUFGXJQCJR-CQSZACIVSA-N -1 0 346.339 2.163 20 5 EEBDRM CC(C)Cc1ncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000442237206 315196722 /nfs/dbraw/zinc/19/67/22/315196722.db2.gz FZMRSQCFKCFFFW-UHFFFAOYSA-N -1 0 336.373 2.384 20 5 EEBDRM CCOC(=O)N[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000495567766 316006230 /nfs/dbraw/zinc/00/62/30/316006230.db2.gz XXDICTDTBRLUGE-GFCCVEGCSA-N -1 0 325.321 2.010 20 5 EEBDRM O=C([O-])CCC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000539685147 318058742 /nfs/dbraw/zinc/05/87/42/318058742.db2.gz LUCSCVJJAJHLGB-UHFFFAOYSA-N -1 0 346.343 2.188 20 5 EEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000557411482 318679830 /nfs/dbraw/zinc/67/98/30/318679830.db2.gz FWZWBLSMPQHIFV-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000563206629 318984275 /nfs/dbraw/zinc/98/42/75/318984275.db2.gz RLJGDBKUJYGKGZ-ZZVYKPCYSA-N -1 0 349.387 2.454 20 5 EEBDRM CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000564217066 319073145 /nfs/dbraw/zinc/07/31/45/319073145.db2.gz XQGKQGGIHWRMAM-SNVBAGLBSA-N -1 0 342.373 2.246 20 5 EEBDRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000566631374 319307658 /nfs/dbraw/zinc/30/76/58/319307658.db2.gz OFPDVINNVAIQLS-FKQCQYRASA-N -1 0 332.234 2.207 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H](O)C[C@@H]2c2ccccc2)n1 ZINC000567113898 319349912 /nfs/dbraw/zinc/34/99/12/319349912.db2.gz WMKYOKZWWCBGDT-GXTWGEPZSA-N -1 0 343.339 2.309 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCC[C@@H]1CCO ZINC000570214739 319645594 /nfs/dbraw/zinc/64/55/94/319645594.db2.gz BQICSUQFWSKMQT-SNVBAGLBSA-N -1 0 328.752 2.331 20 5 EEBDRM CC(C)(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000570568060 319677459 /nfs/dbraw/zinc/67/74/59/319677459.db2.gz DRVIKWMOXOPSLE-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM O=C([O-])CCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000571561067 319766523 /nfs/dbraw/zinc/76/65/23/319766523.db2.gz SGYGPZAXAIZPHN-UHFFFAOYSA-N -1 0 349.265 2.007 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000576183318 320148480 /nfs/dbraw/zinc/14/84/80/320148480.db2.gz NMDFUAJFWRBQDA-UHFFFAOYSA-N -1 0 340.386 2.433 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000577496261 320258905 /nfs/dbraw/zinc/25/89/05/320258905.db2.gz HWRVEIHWDOOMDK-JTQLQIEISA-N -1 0 333.369 2.397 20 5 EEBDRM O=C([O-])c1ccnc(NCCN2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000577518512 320260622 /nfs/dbraw/zinc/26/06/22/320260622.db2.gz WIOYLACUDBPBEE-UHFFFAOYSA-N -1 0 348.384 2.220 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)o1 ZINC000194791717 323503785 /nfs/dbraw/zinc/50/37/85/323503785.db2.gz BBXDHSFXKKBFCL-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM COc1c(C)cnc(CN(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])c1C ZINC000578631066 323672194 /nfs/dbraw/zinc/67/21/94/323672194.db2.gz OJIHLQWISYOWJN-UHFFFAOYSA-N -1 0 346.343 2.345 20 5 EEBDRM Cc1cc(N2CCO[C@@H](CC(=O)[O-])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000579598485 323891350 /nfs/dbraw/zinc/89/13/50/323891350.db2.gz HOROXSKAADLCPA-NSHDSACASA-N -1 0 331.328 2.131 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCSC[C@H]1C(=O)[O-] ZINC000581500089 324267367 /nfs/dbraw/zinc/26/73/67/324267367.db2.gz FFRFLVUUBWXFGA-ZDUSSCGKSA-N -1 0 340.401 2.384 20 5 EEBDRM Cc1cccc(N2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)c1 ZINC000327830010 465054934 /nfs/dbraw/zinc/05/49/34/465054934.db2.gz MPGSOJNXIKSFIU-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(O)c1 ZINC000336874541 465068045 /nfs/dbraw/zinc/06/80/45/465068045.db2.gz ZVKOHQIOVNEWHN-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM CCCOc1ncccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000063821141 462674948 /nfs/dbraw/zinc/67/49/48/462674948.db2.gz JQMVKPLIAQIVKO-UHFFFAOYSA-N -1 0 331.328 2.414 20 5 EEBDRM CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089540965 462690663 /nfs/dbraw/zinc/69/06/63/462690663.db2.gz VLVCDRAIBSAWJG-CYBMUJFWSA-N -1 0 335.360 2.420 20 5 EEBDRM Cc1ccc(Cc2nnc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])s2)cc1 ZINC000154117113 462731276 /nfs/dbraw/zinc/73/12/76/462731276.db2.gz UPSRVRPDQQKSQN-UHFFFAOYSA-N -1 0 344.356 2.321 20 5 EEBDRM O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000065089761 462736143 /nfs/dbraw/zinc/73/61/43/462736143.db2.gz RWEBSQVEOJAJES-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM COCCOc1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000579358963 468348776 /nfs/dbraw/zinc/34/87/76/468348776.db2.gz BJQFUMUSICZAEI-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)cc1 ZINC000069740572 463315717 /nfs/dbraw/zinc/31/57/17/463315717.db2.gz GHDAZKCUIOBMBB-UHFFFAOYSA-N -1 0 348.384 2.391 20 5 EEBDRM Cc1ncsc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123730455 463364663 /nfs/dbraw/zinc/36/46/63/463364663.db2.gz PRVWTBOYRVNSQI-UHFFFAOYSA-N -1 0 333.416 2.208 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000125133057 463506268 /nfs/dbraw/zinc/50/62/68/463506268.db2.gz FYPALUXLENVLOE-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM CC(C)CN(CC(=O)[O-])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000579484826 468366338 /nfs/dbraw/zinc/36/63/38/468366338.db2.gz XWTAODMJYDAVAC-UHFFFAOYSA-N -1 0 334.332 2.187 20 5 EEBDRM O=C(Nc1nncn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000165461451 463643903 /nfs/dbraw/zinc/64/39/03/463643903.db2.gz PMDPDIDPKHUPNQ-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1ccc([C@H]2COCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])o1 ZINC000152162110 463655494 /nfs/dbraw/zinc/65/54/94/463655494.db2.gz VUEGFNBTKDRSOJ-CYBMUJFWSA-N -1 0 332.312 2.416 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)N[C@H](C)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000276895840 463797247 /nfs/dbraw/zinc/79/72/47/463797247.db2.gz KVGZMRWTJZQQQW-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM CCc1nn(C)c(CC)c1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185600034 463848279 /nfs/dbraw/zinc/84/82/79/463848279.db2.gz KOTKXVLFECPYRI-UHFFFAOYSA-N -1 0 332.360 2.089 20 5 EEBDRM Cc1cc(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cn1C1CC1 ZINC000283356733 463857548 /nfs/dbraw/zinc/85/75/48/463857548.db2.gz IUJXBPKHAOJYRH-UHFFFAOYSA-N -1 0 329.312 2.358 20 5 EEBDRM C/C=C/C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000263288517 464078252 /nfs/dbraw/zinc/07/82/52/464078252.db2.gz QHINWSXZHJJWCJ-JDGPPOGSSA-N -1 0 326.736 2.326 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000180757453 464387960 /nfs/dbraw/zinc/38/79/60/464387960.db2.gz MOTYKGAUHGAROA-UHFFFAOYSA-N -1 0 325.321 2.379 20 5 EEBDRM CN(C)C(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000184666712 465016234 /nfs/dbraw/zinc/01/62/34/465016234.db2.gz MFUVFILMAPPWTI-UHFFFAOYSA-N -1 0 343.339 2.183 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2 ZINC000356354669 465333256 /nfs/dbraw/zinc/33/32/56/465333256.db2.gz XJLRHMGXNRXXAN-VIFPVBQESA-N -1 0 341.323 2.286 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000362388459 465698856 /nfs/dbraw/zinc/69/88/56/465698856.db2.gz HGRKCWGEGIKBFY-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM O=C([O-])[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCO1 ZINC000591325400 468447868 /nfs/dbraw/zinc/44/78/68/468447868.db2.gz NNRAUQMHGJPICW-CYBMUJFWSA-N -1 0 347.302 2.086 20 5 EEBDRM C[C@@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000362634200 465898235 /nfs/dbraw/zinc/89/82/35/465898235.db2.gz DKKIREXPGZFDPO-RYUDHWBXSA-N -1 0 349.387 2.282 20 5 EEBDRM CC[C@@H](C)n1nc([N-]c2ncc(C(=O)OC)cc2[N+](=O)[O-])cc1C ZINC000357681909 466211104 /nfs/dbraw/zinc/21/11/04/466211104.db2.gz JTNYPMZEIDRBBM-SECBINFHSA-N -1 0 333.348 2.996 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000372229024 466237771 /nfs/dbraw/zinc/23/77/71/466237771.db2.gz XCIFXISBNJCHMV-KRWDZBQOSA-N -1 0 346.314 2.173 20 5 EEBDRM Cn1cc([C@@H]2CCCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000331949928 466319247 /nfs/dbraw/zinc/31/92/47/466319247.db2.gz SNUFKPJEUODWBO-ZDUSSCGKSA-N -1 0 330.344 2.401 20 5 EEBDRM CN(C)c1nc2cc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000338920104 466485441 /nfs/dbraw/zinc/48/54/41/466485441.db2.gz PXVOEMNBVJUVFZ-UHFFFAOYSA-N -1 0 341.327 2.495 20 5 EEBDRM O=C([O-])Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000322366821 466631947 /nfs/dbraw/zinc/63/19/47/466631947.db2.gz YENUFGNBEVVNPV-UHFFFAOYSA-N -1 0 336.325 2.023 20 5 EEBDRM CCC(CC)(CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000325434528 466658034 /nfs/dbraw/zinc/65/80/34/466658034.db2.gz SJMGBCCFCSCMOW-UHFFFAOYSA-N -1 0 337.376 2.328 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN2CCOc3cccc1c32 ZINC000378413994 467295388 /nfs/dbraw/zinc/29/53/88/467295388.db2.gz XUCGPHIXTZPQJB-UHFFFAOYSA-N -1 0 341.323 2.160 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1nnnn1CC(F)(F)F ZINC000436472962 467539123 /nfs/dbraw/zinc/53/91/23/467539123.db2.gz CLPLKIOVFAMAMV-UHFFFAOYSA-N -1 0 335.267 2.142 20 5 EEBDRM COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1O ZINC000436684243 467550268 /nfs/dbraw/zinc/55/02/68/467550268.db2.gz ZIABZRSKVFHYFM-UHFFFAOYSA-N -1 0 332.312 2.287 20 5 EEBDRM Cc1ccc(C[C@H](CO)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C ZINC000457249623 467786606 /nfs/dbraw/zinc/78/66/06/467786606.db2.gz IKVARVKDWSQRTM-OAHLLOKOSA-N -1 0 344.367 2.251 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCCCCC1 ZINC000514861145 467959492 /nfs/dbraw/zinc/95/94/92/467959492.db2.gz XLQBTSKGWOVALF-UHFFFAOYSA-N -1 0 342.373 2.294 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccn(C3CCCC3)n2)n1 ZINC000578195867 468199956 /nfs/dbraw/zinc/19/99/56/468199956.db2.gz OYGQDEHWVRQFMF-UHFFFAOYSA-N -1 0 345.359 2.920 20 5 EEBDRM C[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000520230312 468235536 /nfs/dbraw/zinc/23/55/36/468235536.db2.gz KNZCOSLIQIFHJA-QPUJVOFHSA-N -1 0 325.296 2.308 20 5 EEBDRM CC(C)(C)OC(=O)NCCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000496430950 468242204 /nfs/dbraw/zinc/24/22/04/468242204.db2.gz OCVXJLPAXQCLFN-UHFFFAOYSA-N -1 0 340.332 2.258 20 5 EEBDRM CCOC(=O)C[C@H](C)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000520411250 468249343 /nfs/dbraw/zinc/24/93/43/468249343.db2.gz UOZLMIFSICOKHR-QMMMGPOBSA-N -1 0 344.751 2.368 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2cnn(CCF)c2)cc1[N+](=O)[O-] ZINC000600660782 468612982 /nfs/dbraw/zinc/61/29/82/468612982.db2.gz PCDLMKOKFRCJMN-UHFFFAOYSA-N -1 0 342.352 2.124 20 5 EEBDRM O=C([O-])CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000594525869 468615527 /nfs/dbraw/zinc/61/55/27/468615527.db2.gz XKYFAHGKTMXOGW-UHFFFAOYSA-N -1 0 341.751 2.126 20 5 EEBDRM C[C@H](N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(C)(C)C ZINC000570926359 468715512 /nfs/dbraw/zinc/71/55/12/468715512.db2.gz WDJWWRWTMBWWRH-VIFPVBQESA-N -1 0 344.389 2.348 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000571083990 468737366 /nfs/dbraw/zinc/73/73/66/468737366.db2.gz YLHHKXLSSIYLHI-JQWIXIFHSA-N -1 0 346.343 2.330 20 5 EEBDRM CC[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000592953653 468827010 /nfs/dbraw/zinc/82/70/10/468827010.db2.gz XTZGIBPDNKNBCM-SSDOTTSWSA-N -1 0 345.149 2.198 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC3(CCOCC3)CC2)n1 ZINC000592970937 468831107 /nfs/dbraw/zinc/83/11/07/468831107.db2.gz WGJFVOHRPAUVNH-UHFFFAOYSA-N -1 0 335.360 2.393 20 5 EEBDRM CC(C)[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccnn1C ZINC000592978431 468832718 /nfs/dbraw/zinc/83/27/18/468832718.db2.gz CRCIGPUVNOFOHR-LLVKDONJSA-N -1 0 333.348 2.273 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]1(C)CO ZINC000598444541 468867668 /nfs/dbraw/zinc/86/76/68/468867668.db2.gz BCHPWFAILNMYAN-RTHLEPHNSA-N -1 0 328.752 2.044 20 5 EEBDRM Cn1cc([C@H]2CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000572177878 468897028 /nfs/dbraw/zinc/89/70/28/468897028.db2.gz FCIJAJYREYJYBC-OAHLLOKOSA-N -1 0 344.371 2.300 20 5 EEBDRM CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000593695921 469098565 /nfs/dbraw/zinc/09/85/65/469098565.db2.gz CXQYSEWVOCLNJG-OCCSQVGLSA-N -1 0 336.344 2.323 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(Nc2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC000595979335 469105001 /nfs/dbraw/zinc/10/50/01/469105001.db2.gz STVZMLRIUBSUAS-UHFFFAOYSA-N -1 0 325.712 2.403 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000610892043 469106281 /nfs/dbraw/zinc/10/62/81/469106281.db2.gz MJFWQPTZHDDPJT-LLVKDONJSA-N -1 0 347.371 2.496 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000573364511 469116184 /nfs/dbraw/zinc/11/61/84/469116184.db2.gz LRTTWSPVDLTGIV-UHFFFAOYSA-N -1 0 344.389 2.215 20 5 EEBDRM COC(=O)c1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000611535165 469274222 /nfs/dbraw/zinc/27/42/22/469274222.db2.gz UQXMTZRUNIBCOX-UHFFFAOYSA-N -1 0 342.307 2.243 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000596652190 469322172 /nfs/dbraw/zinc/32/21/72/469322172.db2.gz UFKFWHTXGSTOJC-CYBMUJFWSA-N -1 0 335.360 2.237 20 5 EEBDRM O=C([O-])[C@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000603953754 469449578 /nfs/dbraw/zinc/44/95/78/469449578.db2.gz PPIOLCAVICQYQL-OAHLLOKOSA-N -1 0 328.324 2.470 20 5 EEBDRM Cn1nc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC000612773019 469546639 /nfs/dbraw/zinc/54/66/39/469546639.db2.gz BFKGPJUOZCNNQQ-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM Cc1cc(C)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1O ZINC000612997910 469604013 /nfs/dbraw/zinc/60/40/13/469604013.db2.gz MEQWMYXYASADNU-UHFFFAOYSA-N -1 0 338.341 2.424 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619466213 469615842 /nfs/dbraw/zinc/61/58/42/469615842.db2.gz OGJJBMIKRAKPFU-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000613978563 469826290 /nfs/dbraw/zinc/82/62/90/469826290.db2.gz NLRDJLNQYNPLJA-HQJQHLMTSA-N -1 0 334.250 2.092 20 5 EEBDRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1csc([N+](=O)[O-])c1 ZINC000609146978 469896530 /nfs/dbraw/zinc/89/65/30/469896530.db2.gz NTZQPBRUVLLGBO-UHFFFAOYSA-N -1 0 332.297 2.252 20 5 EEBDRM CCC(CC)S(=O)(=O)[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491826749 535087966 /nfs/dbraw/zinc/08/79/66/535087966.db2.gz BBQMECWISFHESL-VURMDHGXSA-N -1 0 344.364 2.382 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000738166122 576698936 /nfs/dbraw/zinc/69/89/36/576698936.db2.gz MEVXUBFKGBMRHD-UHFFFAOYSA-N -1 0 347.327 2.047 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C)C1 ZINC000776510473 577461190 /nfs/dbraw/zinc/46/11/90/577461190.db2.gz HFXMFWWWNOGAQB-KOLCDFICSA-N -1 0 326.374 2.144 20 5 EEBDRM O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000763223684 577717203 /nfs/dbraw/zinc/71/72/03/577717203.db2.gz FHQBDJKEDOXDNR-JIMOISOXSA-N -1 0 340.426 2.410 20 5 EEBDRM C[C@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000753801700 577793979 /nfs/dbraw/zinc/79/39/79/577793979.db2.gz KYKASCSFQRTYIY-QFQXNISHSA-N -1 0 342.348 2.285 20 5 EEBDRM NC(=O)Nc1cccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000739171644 578042133 /nfs/dbraw/zinc/04/21/33/578042133.db2.gz XXTXODGSNJSANO-UHFFFAOYSA-N -1 0 344.283 2.036 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCOC[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000739625557 578061478 /nfs/dbraw/zinc/06/14/78/578061478.db2.gz QEBGTAICUGFSJG-QDOCKXBDSA-N -1 0 336.344 2.158 20 5 EEBDRM O=C([O-])NCc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000739988242 578076657 /nfs/dbraw/zinc/07/66/57/578076657.db2.gz LTSCZBMBQLRVHW-UHFFFAOYSA-N -1 0 344.327 2.413 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000740164513 578083555 /nfs/dbraw/zinc/08/35/55/578083555.db2.gz XNCGRSOMXNMXOK-UHFFFAOYSA-N -1 0 348.286 2.241 20 5 EEBDRM C[C@@H](CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000736614700 578213956 /nfs/dbraw/zinc/21/39/56/578213956.db2.gz XUGVDKNQGOEFMU-VIFPVBQESA-N -1 0 340.357 2.347 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C(C)(C)C(=O)[O-] ZINC000736700330 578218824 /nfs/dbraw/zinc/21/88/24/578218824.db2.gz IWIKWXWYOWJDJX-MRVPVSSYSA-N -1 0 344.751 2.337 20 5 EEBDRM CC1(C)CN(CCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000736736185 578221344 /nfs/dbraw/zinc/22/13/44/578221344.db2.gz YGFXAFXDBFQHQU-GQCTYLIASA-N -1 0 349.387 2.215 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737963441 578274697 /nfs/dbraw/zinc/27/46/97/578274697.db2.gz VJWSQJLPKXXLOM-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM CC[C@H](C)[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)[O-] ZINC000820465692 598187927 /nfs/dbraw/zinc/18/79/27/598187927.db2.gz QOWPINWRVFTJOD-ZANVPECISA-N -1 0 334.332 2.234 20 5 EEBDRM CCCCC[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000829339331 601404748 /nfs/dbraw/zinc/40/47/48/601404748.db2.gz HFHOCNUYMCAIDR-LBPRGKRZSA-N -1 0 344.389 2.215 20 5 EEBDRM C/C(=C/COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC000825775466 601422197 /nfs/dbraw/zinc/42/21/97/601422197.db2.gz SIJAHYNCRGHBQX-DAXSKMNVSA-N -1 0 338.272 2.308 20 5 EEBDRM CC(C)(NC(=O)CCSCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000826616666 601649595 /nfs/dbraw/zinc/64/95/95/601649595.db2.gz UMBVHPBFUJKTDE-UHFFFAOYSA-N -1 0 326.374 2.154 20 5 EEBDRM Nc1ccc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC000833090680 601704491 /nfs/dbraw/zinc/70/44/91/601704491.db2.gz AUSFQAJWPHETGA-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM O=C([O-])c1ccc(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000833317975 601894133 /nfs/dbraw/zinc/89/41/33/601894133.db2.gz QTOAQFZHZLPVOX-UHFFFAOYSA-N -1 0 347.308 2.220 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000263211470 602088441 /nfs/dbraw/zinc/08/84/41/602088441.db2.gz IVIFLFJVWUJKNJ-AWEZNQCLSA-N -1 0 341.751 2.254 20 5 EEBDRM CC[C@]1(C)CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829050900 602152165 /nfs/dbraw/zinc/15/21/65/602152165.db2.gz XIBWTDQKDHIVCH-APPDUMDISA-N -1 0 349.387 2.424 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000828594589 602398081 /nfs/dbraw/zinc/39/80/81/602398081.db2.gz FNFDTISUKAJAJH-CQSZACIVSA-N -1 0 329.312 2.500 20 5 EEBDRM CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1(C(=O)[O-])CCCC1 ZINC000830471696 604711151 /nfs/dbraw/zinc/71/11/51/604711151.db2.gz IPIACBLDMLKEQO-UHFFFAOYSA-N -1 0 335.360 2.253 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H](CCO)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000833296416 604892668 /nfs/dbraw/zinc/89/26/68/604892668.db2.gz WOUKCRMETDHDSB-HNNXBMFYSA-N -1 0 344.323 2.147 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC000827097586 604905253 /nfs/dbraw/zinc/90/52/53/604905253.db2.gz RRQYNGXQKSSLAB-ZDUSSCGKSA-N -1 0 346.343 2.339 20 5 EEBDRM CC(C)CNC(=O)C1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833489119 605171046 /nfs/dbraw/zinc/17/10/46/605171046.db2.gz VIGUONGFPHIYAR-UHFFFAOYSA-N -1 0 349.387 2.282 20 5 EEBDRM CC(C)C(=O)N[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833462902 605181701 /nfs/dbraw/zinc/18/17/01/605181701.db2.gz IIGVHLBITRFKAD-LBPRGKRZSA-N -1 0 335.360 2.034 20 5 EEBDRM Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000833751231 605184634 /nfs/dbraw/zinc/18/46/34/605184634.db2.gz RMZACUPMAJEJDO-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM CC1=C(C(=O)[O-])C[C@H](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)O1 ZINC000833582672 605236284 /nfs/dbraw/zinc/23/62/84/605236284.db2.gz YAALFCUKCLFPEM-GFCCVEGCSA-N -1 0 330.300 2.001 20 5 EEBDRM CCc1cc(NC(=O)CCCNC(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC000833672043 605525122 /nfs/dbraw/zinc/52/51/22/605525122.db2.gz WUUVSHDSXVBLBH-UHFFFAOYSA-N -1 0 346.343 2.114 20 5 EEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@@H]1C1CC1 ZINC000176115788 676871180 /nfs/dbraw/zinc/87/11/80/676871180.db2.gz UZJFLCKPMFBIDH-RKDXNWHRSA-N -1 0 344.776 2.099 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(O)(Cc2ccccn2)CC1 ZINC000930990944 1206597923 /nfs/dbraw/zinc/59/79/23/1206597923.db2.gz PWHAGQGHXSYMRV-UHFFFAOYSA-N -1 0 343.383 2.265 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779667625 1210733311 /nfs/dbraw/zinc/73/33/11/1210733311.db2.gz ZNKDVVUMFXQWAT-CQSZACIVSA-N -1 0 328.328 2.206 20 5 EEBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2ccc(C(F)(F)F)cn2)no1 ZINC001212893342 1214379390 /nfs/dbraw/zinc/37/93/90/1214379390.db2.gz ZAZUROHXDNFKTI-UHFFFAOYSA-N -1 0 326.194 2.449 20 5 EEBDRM Cc1cc(=O)c(COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n[n-]1 ZINC000802171765 1237045517 /nfs/dbraw/zinc/04/55/17/1237045517.db2.gz RXFBLPUHUKZZQM-UHFFFAOYSA-N -1 0 328.284 2.237 20 5 EEBDRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CC=CCC1 ZINC000850886431 1277380927 /nfs/dbraw/zinc/38/09/27/1277380927.db2.gz VQACALIAMMAUKE-CQSZACIVSA-N -1 0 342.348 2.285 20 5 EEBDRM O=[N+]([O-])c1ncc(-c2nc(-c3ccc4nccnc4c3)no2)cc1[O-] ZINC001213596151 1296102548 /nfs/dbraw/zinc/10/25/48/1296102548.db2.gz OJDGKZFJSLNNST-UHFFFAOYSA-N -1 0 336.267 2.356 20 5 EEBDRM Cc1ccc(N)cc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC001216483684 1297189628 /nfs/dbraw/zinc/18/96/28/1297189628.db2.gz GDUUXACRLAXDIP-UHFFFAOYSA-N -1 0 325.321 2.425 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2ccc(OC)cc2)c1[N+](=O)[O-] ZINC001226649031 1301494153 /nfs/dbraw/zinc/49/41/53/1301494153.db2.gz IYCQPYXJQRKUCV-QMMMGPOBSA-N -1 0 349.299 2.026 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1[n-]c(=O)nc2ccccc21 ZINC001226977433 1301634577 /nfs/dbraw/zinc/63/45/77/1301634577.db2.gz QBMPFUNTWJDJMM-SECBINFHSA-N -1 0 329.316 2.216 20 5 EEBDRM CCOC(=O)C(F)(F)[C@@H](CC)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228969882 1302550658 /nfs/dbraw/zinc/55/06/58/1302550658.db2.gz DJWPAMRBEYBLDP-SNVBAGLBSA-N -1 0 335.259 2.362 20 5 EEBDRM C[C@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000781845596 1303878646 /nfs/dbraw/zinc/87/86/46/1303878646.db2.gz UYVRPINZKYVDJP-WKMLFNHBSA-N -1 0 342.348 2.285 20 5 EEBDRM COC(=O)c1n[n-]c(C(=O)OC)c1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001234188888 1304790148 /nfs/dbraw/zinc/79/01/48/1304790148.db2.gz GYOHIGSPLNTDOX-QMMMGPOBSA-N -1 0 349.299 2.031 20 5 EEBDRM C[C@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000835232088 1314905942 /nfs/dbraw/zinc/90/59/42/1314905942.db2.gz RKXGTAGTSQLARN-LKFCYVNXSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835478381 1314922640 /nfs/dbraw/zinc/92/26/40/1314922640.db2.gz OOBULAGNTDMXTD-UHFFFAOYSA-N -1 0 342.417 2.085 20 5 EEBDRM Cn1c2ccc(S(C)(=O)=O)cc2nc1-c1ccc([N+](=O)[O-])cc1[O-] ZINC001251009612 1317398320 /nfs/dbraw/zinc/39/83/20/1317398320.db2.gz PTLZBCDEXLGDFQ-UHFFFAOYSA-N -1 0 347.352 2.258 20 5 EEBDRM O=C([O-])[C@@H](c1ccsc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001608562133 1351716362 /nfs/dbraw/zinc/71/63/62/1351716362.db2.gz NGPFCYOLIPLXTQ-SMDDNHRTSA-N -1 0 348.384 2.363 20 5 EEBDRM O=C([O-])C1=NOC2(C1)CCN(c1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC001608593632 1351722100 /nfs/dbraw/zinc/72/21/00/1351722100.db2.gz SSIABFOKZVJTJE-UHFFFAOYSA-N -1 0 341.270 2.073 20 5 EEBDRM O=C([O-])COc1ccc(CNc2ccnn2CC2CC2)cc1[N+](=O)[O-] ZINC001608760239 1351756875 /nfs/dbraw/zinc/75/68/75/1351756875.db2.gz UHUUKLDAVBGLPO-UHFFFAOYSA-N -1 0 346.343 2.277 20 5 EEBDRM O=C([O-])Cc1csc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001608791919 1351765074 /nfs/dbraw/zinc/76/50/74/1351765074.db2.gz GLRCRKAMPHTLIA-RYUDHWBXSA-N -1 0 347.352 2.421 20 5 EEBDRM O=C([O-])c1cc(-c2nnc(Cc3ccccn3)o2)cc([N+](=O)[O-])c1 ZINC001608832936 1351774591 /nfs/dbraw/zinc/77/45/91/1351774591.db2.gz NEXJFLWYLRFBKC-UHFFFAOYSA-N -1 0 326.268 2.329 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2ccc(OC(F)F)cc2)c1=O ZINC001608863662 1351780962 /nfs/dbraw/zinc/78/09/62/1351780962.db2.gz OJUQGKGQIYBROP-UHFFFAOYSA-N -1 0 340.238 2.104 20 5 EEBDRM O=C([O-])c1ccc2c(c1)N(C(=O)CNc1ccccc1[N+](=O)[O-])CC2 ZINC001608924158 1351795427 /nfs/dbraw/zinc/79/54/27/1351795427.db2.gz PBDSHLDSQNRENU-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM O=C([O-])c1ccccc1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC001608948124 1351801002 /nfs/dbraw/zinc/80/10/02/1351801002.db2.gz ZVHIGNZUSMQYID-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM CCCCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001320222956 1332850011 /nfs/dbraw/zinc/85/00/11/1332850011.db2.gz NSOBOFLCEIGZRW-UHFFFAOYSA-N -1 0 346.380 2.258 20 5 EEBDRM O=C([O-])c1cnc(NCCc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001608978111 1351806296 /nfs/dbraw/zinc/80/62/96/1351806296.db2.gz YLIUNAKJOAESHL-UHFFFAOYSA-N -1 0 332.272 2.251 20 5 EEBDRM O=C([O-])c1cncc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c1 ZINC001608979086 1351807167 /nfs/dbraw/zinc/80/71/67/1351807167.db2.gz JBHXRYBRDGGZKC-UHFFFAOYSA-N -1 0 326.268 2.329 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](F)c1ccccc1 ZINC001320591892 1332917178 /nfs/dbraw/zinc/91/71/78/1332917178.db2.gz LNKWCPBCAXQDEM-ZDUSSCGKSA-N -1 0 338.316 2.111 20 5 EEBDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])n[nH]1 ZINC001327459201 1334296232 /nfs/dbraw/zinc/29/62/32/1334296232.db2.gz BQGHTQWXNYDUCL-UHFFFAOYSA-N -1 0 330.391 2.478 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001609907062 1352116640 /nfs/dbraw/zinc/11/66/40/1352116640.db2.gz YRRMHXCPVISULW-SNVBAGLBSA-N -1 0 346.343 2.310 20 5 EEBDRM CN(Cc1cccc(O)c1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610125565 1352168008 /nfs/dbraw/zinc/16/80/08/1352168008.db2.gz POVWPJDSSUKMNX-UHFFFAOYSA-N -1 0 330.296 2.271 20 5 EEBDRM COc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1O ZINC001610340663 1352207955 /nfs/dbraw/zinc/20/79/55/1352207955.db2.gz DJMFBWRPOSKGHZ-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM COc1ccc(C(=O)[O-])c(OC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001610317268 1352204504 /nfs/dbraw/zinc/20/45/04/1352204504.db2.gz XLFODGSPYMNZEA-AWEZNQCLSA-N -1 0 333.296 2.414 20 5 EEBDRM C[C@@H](CF)NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001610390425 1352215141 /nfs/dbraw/zinc/21/51/41/1352215141.db2.gz ZQDUMNABOHBRCD-QMMMGPOBSA-N -1 0 330.337 2.249 20 5 EEBDRM Cc1[nH]c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c(C)c1C(=O)[O-] ZINC001610398757 1352216466 /nfs/dbraw/zinc/21/64/66/1352216466.db2.gz IJHKFTDSROVINQ-UHFFFAOYSA-N -1 0 329.312 2.394 20 5 EEBDRM CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C(=O)[O-] ZINC000848637041 1338734359 /nfs/dbraw/zinc/73/43/59/1338734359.db2.gz BLCRMQWVZUWRFA-NSHDSACASA-N -1 0 337.332 2.320 20 5 EEBDRM Cc1ccc(C(=O)N2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc1[N+](=O)[O-] ZINC001610484081 1352230630 /nfs/dbraw/zinc/23/06/30/1352230630.db2.gz PKIFURSYIZZFDU-KJEVXHAQSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001610480188 1352229823 /nfs/dbraw/zinc/22/98/23/1352229823.db2.gz TVAJZMXGMBHZGD-DGCLKSJQSA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1sc(C(=O)NC(C)(C)c2nocc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001610589572 1352250341 /nfs/dbraw/zinc/25/03/41/1352250341.db2.gz LVRPSUHPIFUMPL-UHFFFAOYSA-N -1 0 339.329 2.316 20 5 EEBDRM Cn1cc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c(C2CC2)n1 ZINC001610605380 1352252833 /nfs/dbraw/zinc/25/28/33/1352252833.db2.gz DWLQFQQFVDYQLP-UHFFFAOYSA-N -1 0 346.343 2.281 20 5 EEBDRM O=C([O-])C[C@]1(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCOC1 ZINC001610757091 1352269413 /nfs/dbraw/zinc/26/94/13/1352269413.db2.gz MGUJTFNRALSIKC-CQSZACIVSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC001610808879 1352278650 /nfs/dbraw/zinc/27/86/50/1352278650.db2.gz UCXFMXCGBNFXRB-LLVKDONJSA-N -1 0 345.311 2.301 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc1 ZINC001610827394 1352281454 /nfs/dbraw/zinc/28/14/54/1352281454.db2.gz OSVFMAMSVWUKLE-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM C=C/C=C\CCn1cc(-c2nnn[n-]2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001588530537 1348913606 /nfs/dbraw/zinc/91/36/06/1348913606.db2.gz OJJFNDWKLWYEBW-ARJAWSKDSA-N -1 0 338.327 2.222 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2nccn2C(F)F)n1 ZINC001600105165 1349972280 /nfs/dbraw/zinc/97/22/80/1349972280.db2.gz AZNWGPUKTAKPHE-UHFFFAOYSA-N -1 0 327.247 2.200 20 5 EEBDRM Cc1cc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC001600206800 1349992937 /nfs/dbraw/zinc/99/29/37/1349992937.db2.gz XYDTUFLSFJEMFX-MRXNPFEDSA-N -1 0 334.328 2.192 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC001600215698 1349994990 /nfs/dbraw/zinc/99/49/90/1349994990.db2.gz FIBOYCINTGYOFQ-IUCAKERBSA-N -1 0 326.736 2.492 20 5 EEBDRM Cc1cc(N2CCO[C@@]3(CCSC3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600242555 1350000294 /nfs/dbraw/zinc/00/02/94/1350000294.db2.gz VTHBVKBENQDKAF-HNNXBMFYSA-N -1 0 338.385 2.314 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1Cl ZINC001600302872 1350015150 /nfs/dbraw/zinc/01/51/50/1350015150.db2.gz UOITXPKWBVDJHL-CPCISQLKSA-N -1 0 330.699 2.194 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)NC2(C(=O)[O-])CCSCC2)c1F ZINC001600304155 1350015681 /nfs/dbraw/zinc/01/56/81/1350015681.db2.gz IDTXKZQUQFSHHM-UHFFFAOYSA-N -1 0 342.348 2.123 20 5 EEBDRM Cc1ccc(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1[N+](=O)[O-] ZINC001600336226 1350023364 /nfs/dbraw/zinc/02/33/64/1350023364.db2.gz AYQYDZWESLOXKP-NSHDSACASA-N -1 0 344.327 2.063 20 5 EEBDRM Cc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)cc1[N+](=O)[O-] ZINC001600337719 1350023835 /nfs/dbraw/zinc/02/38/35/1350023835.db2.gz NJSILBOPZDRUEZ-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001600350504 1350025943 /nfs/dbraw/zinc/02/59/43/1350025943.db2.gz SIQFODDQYFKOEN-UHFFFAOYSA-N -1 0 347.327 2.276 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001600354254 1350027717 /nfs/dbraw/zinc/02/77/17/1350027717.db2.gz PQUSWRKGHSOALW-CQSZACIVSA-N -1 0 330.296 2.274 20 5 EEBDRM Cc1ncc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001600740546 1350125631 /nfs/dbraw/zinc/12/56/31/1350125631.db2.gz IRURLCSSXCHSLK-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM Cc1ncc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001600744372 1350126681 /nfs/dbraw/zinc/12/66/81/1350126681.db2.gz UYZWMHFKKTWREQ-UHFFFAOYSA-N -1 0 330.300 2.318 20 5 EEBDRM Cc1noc([C@H]2OCC[C@H]2Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC001600817246 1350143394 /nfs/dbraw/zinc/14/33/94/1350143394.db2.gz QBMLHGRCWQYWLX-YPMHNXCESA-N -1 0 348.315 2.235 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001600835204 1350148116 /nfs/dbraw/zinc/14/81/16/1350148116.db2.gz TXCGJACFJYPMMI-UHFFFAOYSA-N -1 0 345.260 2.101 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001600909288 1350165443 /nfs/dbraw/zinc/16/54/43/1350165443.db2.gz SHCSOEHCYKZYJF-CYBMUJFWSA-N -1 0 347.375 2.055 20 5 EEBDRM O=C(/C=C\c1cc(C(=O)[O-])co1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001601234187 1350237680 /nfs/dbraw/zinc/23/76/80/1350237680.db2.gz SDACOCUNFPSDNR-WAYWQWQTSA-N -1 0 330.296 2.258 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001601361599 1350266618 /nfs/dbraw/zinc/26/66/18/1350266618.db2.gz NRYDSDGDBQNQOG-OAHLLOKOSA-N -1 0 346.314 2.261 20 5 EEBDRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001601408190 1350277141 /nfs/dbraw/zinc/27/71/41/1350277141.db2.gz CHZDZDRVLKZVEG-PSASIEDQSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])c1cnc(NC(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc12 ZINC001601633953 1350324726 /nfs/dbraw/zinc/32/47/26/1350324726.db2.gz VYZVVYFMSBOLAE-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)CC2 ZINC001601772804 1350361306 /nfs/dbraw/zinc/36/13/06/1350361306.db2.gz YHNIOVLPHOYSRP-CQSZACIVSA-N -1 0 347.371 2.034 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1F ZINC001601815146 1350371166 /nfs/dbraw/zinc/37/11/66/1350371166.db2.gz ORRLFBAKKNRXOP-SKDRFNHKSA-N -1 0 347.320 2.086 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@H](CO)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC001601881896 1350389434 /nfs/dbraw/zinc/38/94/34/1350389434.db2.gz GLTXHXCMPFLKBM-DRKGASSASA-N -1 0 336.344 2.035 20 5 EEBDRM O=C([O-])C[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C1CC1 ZINC001601896379 1350392219 /nfs/dbraw/zinc/39/22/19/1350392219.db2.gz GWOWMQMHBROJRF-NSHDSACASA-N -1 0 349.343 2.464 20 5 EEBDRM O=C([O-])CC1CC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001601945266 1350402965 /nfs/dbraw/zinc/40/29/65/1350402965.db2.gz FQXCTNSTVWJVMG-UHFFFAOYSA-N -1 0 329.312 2.126 20 5 EEBDRM O=C([O-])CCc1nc(COc2ccc([N+](=O)[O-])c3ncccc23)no1 ZINC001602046551 1350426143 /nfs/dbraw/zinc/42/61/43/1350426143.db2.gz AXMZGNFXUJXAOV-UHFFFAOYSA-N -1 0 344.283 2.122 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001602075013 1350431376 /nfs/dbraw/zinc/43/13/76/1350431376.db2.gz DGQCKDPSYKPTOS-UHFFFAOYSA-N -1 0 329.312 2.021 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)O1 ZINC001602177500 1350458364 /nfs/dbraw/zinc/45/83/64/1350458364.db2.gz HJTXERQQKCYCPK-KGLIPLIRSA-N -1 0 330.296 2.319 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCc3c(O)cccc3C2)cc([N+](=O)[O-])c1 ZINC001602244395 1350475015 /nfs/dbraw/zinc/47/50/15/1350475015.db2.gz AFPAVYSICOPWAD-UHFFFAOYSA-N -1 0 342.307 2.197 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC001602403764 1350511649 /nfs/dbraw/zinc/51/16/49/1350511649.db2.gz REHYBIYMDTZHNX-LBPRGKRZSA-N -1 0 334.250 2.044 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2cnn(C[C@@H]3CCCO3)c2)c1 ZINC001602408093 1350512856 /nfs/dbraw/zinc/51/28/56/1350512856.db2.gz NPQZNSKARITIKM-LBPRGKRZSA-N -1 0 332.316 2.412 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001602606507 1350555587 /nfs/dbraw/zinc/55/55/87/1350555587.db2.gz MIFCWHMEGKUYNU-IPYPFGDCSA-N -1 0 342.307 2.343 20 5 EEBDRM O=C([O-])c1cccn2cc(COC(=O)c3ccc([N+](=O)[O-])cc3)nc12 ZINC001602617434 1350558617 /nfs/dbraw/zinc/55/86/17/1350558617.db2.gz CZEWUDLIOYEWML-UHFFFAOYSA-N -1 0 341.279 2.298 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cnn(CC3CC3)c2)cc1[N+](=O)[O-] ZINC001602621160 1350559395 /nfs/dbraw/zinc/55/93/95/1350559395.db2.gz ISLJVBLUNYNFLG-UHFFFAOYSA-N -1 0 331.284 2.119 20 5 EEBDRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC001602625551 1350560920 /nfs/dbraw/zinc/56/09/20/1350560920.db2.gz SCACYPDWAKXPLK-MRXNPFEDSA-N -1 0 330.296 2.056 20 5 EEBDRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001602628851 1350561339 /nfs/dbraw/zinc/56/13/39/1350561339.db2.gz XVFJKKVITZYQRE-SFHVURJKSA-N -1 0 340.335 2.463 20 5 EEBDRM C[C@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001603173743 1350655345 /nfs/dbraw/zinc/65/53/45/1350655345.db2.gz SMSNLYPNVXOWJU-QPUJVOFHSA-N -1 0 326.324 2.453 20 5 EEBDRM CC(C)(C)OC(=O)Cc1noc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001603377118 1350698565 /nfs/dbraw/zinc/69/85/65/1350698565.db2.gz NUQLFRXUBYKMBR-UHFFFAOYSA-N -1 0 349.299 2.227 20 5 EEBDRM CC(C)(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc(C(=O)[O-])on1 ZINC001603677020 1350740481 /nfs/dbraw/zinc/74/04/81/1350740481.db2.gz NCGGJFXMNNLGFQ-UHFFFAOYSA-N -1 0 337.263 2.085 20 5 EEBDRM C[C@@H](CNC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccccc1[N+](=O)[O-] ZINC001604178366 1350885237 /nfs/dbraw/zinc/88/52/37/1350885237.db2.gz YXFPLFRTGAFAMV-WCQYABFASA-N -1 0 349.387 2.498 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001604491890 1350948762 /nfs/dbraw/zinc/94/87/62/1350948762.db2.gz AQHGAQSXSUVBGV-AWEZNQCLSA-N -1 0 342.298 2.400 20 5 EEBDRM C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC[S@](=O)C1 ZINC001604808003 1351011171 /nfs/dbraw/zinc/01/11/71/1351011171.db2.gz IGNFEVCAEOUZFY-ZCAPAMDOSA-N -1 0 346.792 2.151 20 5 EEBDRM CCC[C@](C)(NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)[O-] ZINC001605199214 1351101345 /nfs/dbraw/zinc/10/13/45/1351101345.db2.gz YMOGTBBLOFHWDJ-HNNXBMFYSA-N -1 0 341.339 2.173 20 5 EEBDRM CCN1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC001605478425 1351167208 /nfs/dbraw/zinc/16/72/08/1351167208.db2.gz BSAZWZOCZUPJIX-UHFFFAOYSA-N -1 0 341.751 2.005 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@](F)(C(=O)[O-])C2)cc1C ZINC001605569255 1351191883 /nfs/dbraw/zinc/19/18/83/1351191883.db2.gz CCMZECKJPKPABA-OAHLLOKOSA-N -1 0 340.307 2.083 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1Cn1cc([N+](=O)[O-])nc1Br ZINC001605884138 1351246034 /nfs/dbraw/zinc/24/60/34/1351246034.db2.gz WASLHWDLEMDDKX-UHFFFAOYSA-N -1 0 344.121 2.456 20 5 EEBDRM Cc1ccccc1[C@@H](O)CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001605935370 1351256138 /nfs/dbraw/zinc/25/61/38/1351256138.db2.gz QFLNVLZYVDCMAI-HNNXBMFYSA-N -1 0 340.343 2.229 20 5 EEBDRM COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)ccc1C(=O)[O-] ZINC001607179007 1351443928 /nfs/dbraw/zinc/44/39/28/1351443928.db2.gz JJEVFQFQNVAYEF-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC001607291527 1351465605 /nfs/dbraw/zinc/46/56/05/1351465605.db2.gz HXPFAKWOIZHXSS-UHFFFAOYSA-N -1 0 337.313 2.319 20 5 EEBDRM COc1ccccc1C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C(=O)[O-] ZINC001607345827 1351479175 /nfs/dbraw/zinc/47/91/75/1351479175.db2.gz ZLDLTPOYUYWIBW-LLVKDONJSA-N -1 0 347.327 2.059 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]2CC(=O)[O-])s1 ZINC001607377593 1351484082 /nfs/dbraw/zinc/48/40/82/1351484082.db2.gz JIQBXSLVSAGGJS-JGVFFNPUSA-N -1 0 348.402 2.115 20 5 EEBDRM C[S@](=O)c1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001607385248 1351484825 /nfs/dbraw/zinc/48/48/25/1351484825.db2.gz GOARHBMPZKUUFS-QHCPKHFHSA-N -1 0 335.341 2.038 20 5 EEBDRM C[S@@](=O)C1(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001607385257 1351484920 /nfs/dbraw/zinc/48/49/20/1351484920.db2.gz OQPYPFWVIIMWQT-OAQYLSRUSA-N -1 0 332.765 2.269 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001607410591 1351489853 /nfs/dbraw/zinc/48/98/53/1351489853.db2.gz GZBRGVUHJHFTOP-NXEZZACHSA-N -1 0 338.385 2.500 20 5 EEBDRM Cc1cc([C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C(=O)[O-])ccc1F ZINC001607614592 1351525716 /nfs/dbraw/zinc/52/57/16/1351525716.db2.gz JGRVVFCJYCBHRO-AWEZNQCLSA-N -1 0 347.302 2.301 20 5 EEBDRM Cc1cccnc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001607887892 1351579812 /nfs/dbraw/zinc/57/98/12/1351579812.db2.gz XAJWRCKPNPYKMM-INIZCTEOSA-N -1 0 329.312 2.028 20 5 EEBDRM Cc1ccnc([C@H]2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC001607894117 1351581103 /nfs/dbraw/zinc/58/11/03/1351581103.db2.gz SPPOTUBVXNROTE-NSHDSACASA-N -1 0 328.328 2.385 20 5 EEBDRM NC(=NOCCOc1cccc([N+](=O)[O-])c1)c1cccc(C(=O)[O-])c1 ZINC001608226639 1351652713 /nfs/dbraw/zinc/65/27/13/1351652713.db2.gz AVBIECASDDIDFD-UHFFFAOYSA-N -1 0 345.311 2.219 20 5 EEBDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccco1 ZINC000860540854 1369472022 /nfs/dbraw/zinc/47/20/22/1369472022.db2.gz MXYIEJXDNUFNBV-QMMMGPOBSA-N -1 0 344.370 2.248 20 5 EEBDRM CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001606182300 1404774911 /nfs/dbraw/zinc/77/49/11/1404774911.db2.gz XPVHUFIVUNDMDA-UHFFFAOYSA-N -1 0 336.325 2.118 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(Cl)o1 ZINC000112160774 775389103 /nfs/dbraw/zinc/38/91/03/775389103.db2.gz NDBQLDQXXZLROO-UHFFFAOYSA-N -1 0 336.734 2.021 20 5 EEBDRM O=C(CCc1ccsc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160468 775483803 /nfs/dbraw/zinc/48/38/03/775483803.db2.gz IQUZQYSDXKJOPH-UHFFFAOYSA-N -1 0 346.411 2.156 20 5 EEBDRM C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000820309304 785861108 /nfs/dbraw/zinc/86/11/08/785861108.db2.gz YALXXVBBFPFJPM-MWLCHTKSSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1ccn2cnnc2c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000820799840 786479511 /nfs/dbraw/zinc/47/95/11/786479511.db2.gz JXAJAANWGKUWGT-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1oncc1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000821191441 786630402 /nfs/dbraw/zinc/63/04/02/786630402.db2.gz NPFRBGXAPDKLCD-UHFFFAOYSA-N -1 0 335.700 2.485 20 5 EEBDRM C[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1c1ccccc1 ZINC000910389546 786732088 /nfs/dbraw/zinc/73/20/88/786732088.db2.gz VXHWWYJNPPCYJF-GFCCVEGCSA-N -1 0 342.355 2.403 20 5 EEBDRM CN(C[C@]1(O)CCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000843953243 788752057 /nfs/dbraw/zinc/75/20/57/788752057.db2.gz IVPOVYNTKZPBIA-GOSISDBHSA-N -1 0 342.351 2.206 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2COc3ccccc3C2)n1 ZINC000844207097 788924992 /nfs/dbraw/zinc/92/49/92/788924992.db2.gz XBVJCQZEXIXMLL-SNVBAGLBSA-N -1 0 329.312 2.351 20 5 EEBDRM Cc1nc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])ccc1[C@@H](C)O ZINC000844213585 788931884 /nfs/dbraw/zinc/93/18/84/788931884.db2.gz KCGMGPVEPDCCSW-SECBINFHSA-N -1 0 332.316 2.057 20 5 EEBDRM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000174017281 791943883 /nfs/dbraw/zinc/94/38/83/791943883.db2.gz UQTXJPOGHCJEFX-ZJUUUORDSA-N -1 0 344.364 2.365 20 5 EEBDRM COC(=O)c1nc(OC)ccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678666 798525890 /nfs/dbraw/zinc/52/58/90/798525890.db2.gz XBUIJNKSQCLLGF-UHFFFAOYSA-N -1 0 347.283 2.227 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc3c(cnn3CCO)c2)cc([N+](=O)[O-])c1 ZINC001176679741 798526093 /nfs/dbraw/zinc/52/60/93/798526093.db2.gz KSUAMBWTYNJCPQ-UHFFFAOYSA-N -1 0 342.311 2.379 20 5 EEBDRM COC(=O)c1cccc(N)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176680748 798526136 /nfs/dbraw/zinc/52/61/36/798526136.db2.gz WSYJFTSTYLKWAM-UHFFFAOYSA-N -1 0 331.284 2.405 20 5 EEBDRM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000804492599 810899333 /nfs/dbraw/zinc/89/93/33/810899333.db2.gz XKSNTZTVOHUIAF-IAQYHMDHSA-N -1 0 330.340 2.461 20 5 EEBDRM O=C(NCC(F)(F)Br)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000805245728 811713715 /nfs/dbraw/zinc/71/37/15/811713715.db2.gz ZWELFEIPDROPPT-UHFFFAOYSA-N -1 0 325.065 2.018 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1(C(=O)[O-])CCSCC1 ZINC000263220728 939110961 /nfs/dbraw/zinc/11/09/61/939110961.db2.gz OZVJYNQNZVYRRN-UHFFFAOYSA-N -1 0 338.385 2.292 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000324606719 939126317 /nfs/dbraw/zinc/12/63/17/939126317.db2.gz KQGKCOSSLLVADR-CQSZACIVSA-N -1 0 335.360 2.428 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cccc(O)c1 ZINC000580510083 939771011 /nfs/dbraw/zinc/77/10/11/939771011.db2.gz WNBLBKSJIDDNDD-ZDUSSCGKSA-N -1 0 349.274 2.387 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001611377592 971020875 /nfs/dbraw/zinc/02/08/75/971020875.db2.gz DHSOWJDITZLLNU-SSDOTTSWSA-N -1 0 332.234 2.160 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001595262434 949690476 /nfs/dbraw/zinc/69/04/76/949690476.db2.gz CXFACDBGCVIESD-QWHCGFSZSA-N -1 0 327.296 2.430 20 5 EEBDRM O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CO1 ZINC001595004281 951176887 /nfs/dbraw/zinc/17/68/87/951176887.db2.gz IZPFYYKMQKSZIW-WCBMZHEXSA-N -1 0 342.735 2.457 20 5 EEBDRM C[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C(=O)[O-] ZINC001589348400 954067445 /nfs/dbraw/zinc/06/74/45/954067445.db2.gz SCWHENZDUZFWAF-TVQRCGJNSA-N -1 0 331.328 2.259 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(=O)[O-] ZINC001589031407 955522328 /nfs/dbraw/zinc/52/23/28/955522328.db2.gz HHGCFXHVWYBGEM-NSHDSACASA-N -1 0 343.339 2.450 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001589189195 956588043 /nfs/dbraw/zinc/58/80/43/956588043.db2.gz XIBTUSJMNCIQBP-CQSZACIVSA-N -1 0 344.270 2.276 20 5 EEBDRM Cc1cc(Cl)c(C(=O)Nc2cnn(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001594307643 957982191 /nfs/dbraw/zinc/98/21/91/957982191.db2.gz QKJPBDBOGUOTMC-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM COc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])cc1F ZINC001594050649 957984454 /nfs/dbraw/zinc/98/44/54/957984454.db2.gz KATXNPFIRCOLPF-UHFFFAOYSA-N -1 0 340.307 2.116 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094187818 958262826 /nfs/dbraw/zinc/26/28/26/958262826.db2.gz CUJHHNBNMBQUSA-NKWVEPMBSA-N -1 0 329.106 2.017 20 5 EEBDRM Cc1cccc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594398289 958798720 /nfs/dbraw/zinc/79/87/20/958798720.db2.gz UHBVOSDYMMTAGG-MRXNPFEDSA-N -1 0 328.324 2.388 20 5 EEBDRM O=C([O-])CN(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000238145356 961127111 /nfs/dbraw/zinc/12/71/11/961127111.db2.gz BKZXYMQZMGHPSR-UHFFFAOYSA-N -1 0 328.324 2.251 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)Cc1noc(CCCC(=O)[O-])n1 ZINC001346244811 962332192 /nfs/dbraw/zinc/33/21/92/962332192.db2.gz GWYUCSHYKRWPBC-UHFFFAOYSA-N -1 0 348.359 2.060 20 5 EEBDRM O=C([O-])c1cnc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC001606541078 970305696 /nfs/dbraw/zinc/30/56/96/970305696.db2.gz XBLDXUFUKPEXFP-UHFFFAOYSA-N -1 0 337.675 2.093 20 5 EEBDRM Cc1c(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)cccc1[N+](=O)[O-] ZINC001605076500 972704160 /nfs/dbraw/zinc/70/41/60/972704160.db2.gz AJNXKDDQZOZRHA-JKGQDXBKSA-N -1 0 348.355 2.045 20 5 EEBDRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC001605489096 973630541 /nfs/dbraw/zinc/63/05/41/973630541.db2.gz QLLLHLKBCRKDOW-WDEREUQCSA-N -1 0 348.334 2.162 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC001605687151 974100660 /nfs/dbraw/zinc/10/06/60/974100660.db2.gz FNUIBIHZEUIEJT-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001605708496 974135036 /nfs/dbraw/zinc/13/50/36/974135036.db2.gz FGZNXHJEAAWHOR-KOLCDFICSA-N -1 0 326.736 2.160 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@H](C(=O)[O-])c2ccsc2)c1[N+](=O)[O-] ZINC001591920564 976388229 /nfs/dbraw/zinc/38/82/29/976388229.db2.gz BJGZBWNZDUXUSB-VIFPVBQESA-N -1 0 338.345 2.059 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001592307861 977672459 /nfs/dbraw/zinc/67/24/59/977672459.db2.gz ASCWUTAXZOFYFW-MRXNPFEDSA-N -1 0 329.312 2.110 20 5 EEBDRM CC[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595441181 981078960 /nfs/dbraw/zinc/07/89/60/981078960.db2.gz OCUSPSDGIBKRFK-BXKDBHETSA-N -1 0 342.373 2.150 20 5 EEBDRM CC[C@@H](C)C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594943780 982623523 /nfs/dbraw/zinc/62/35/23/982623523.db2.gz YILCLOMOJAOSEB-SKDRFNHKSA-N -1 0 326.324 2.282 20 5 EEBDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC001599888095 984661382 /nfs/dbraw/zinc/66/13/82/984661382.db2.gz AAHCJUAMWAUNGR-LLVKDONJSA-N -1 0 343.339 2.293 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)n1 ZINC001597899027 989768145 /nfs/dbraw/zinc/76/81/45/989768145.db2.gz BKXAKULHKUMFOC-GFCCVEGCSA-N -1 0 346.343 2.065 20 5 EEBDRM COc1cccc([C@H](NC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001599686106 990990564 /nfs/dbraw/zinc/99/05/64/990990564.db2.gz CTIWDRPISHGAOG-LBPRGKRZSA-N -1 0 336.325 2.221 20 5 EEBDRM COc1ccccc1CCCn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O ZINC001599709283 991343325 /nfs/dbraw/zinc/34/33/25/991343325.db2.gz YDMYEYWOYJXERN-UHFFFAOYSA-N -1 0 332.312 2.096 20 5 EEBDRM CC(C)[C@@]1(C)C[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001591062019 991506642 /nfs/dbraw/zinc/50/66/42/991506642.db2.gz RIEPALYXXVZLSV-GXTWGEPZSA-N -1 0 342.373 2.006 20 5 EEBDRM C[S@](=O)[C@H]1CCC[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599774550 992286075 /nfs/dbraw/zinc/28/60/75/992286075.db2.gz BDSLXWOMRZWOGK-RSPIHXBNSA-N -1 0 340.401 2.324 20 5 EEBDRM COc1ccc(OCCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599607061 993900641 /nfs/dbraw/zinc/90/06/41/993900641.db2.gz UMBSQPGZAMTONA-UHFFFAOYSA-N -1 0 333.300 2.188 20 5 EEBDRM C[C@@](NC(=O)c1cc(Cl)ccn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593156296 993973170 /nfs/dbraw/zinc/97/31/70/993973170.db2.gz REPWVQJJDUDBAZ-HNNXBMFYSA-N -1 0 349.730 2.373 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001599622664 994105781 /nfs/dbraw/zinc/10/57/81/994105781.db2.gz YHOQORLKIFKKSS-UHFFFAOYSA-N -1 0 347.327 2.177 20 5 EEBDRM C[C@@](NCc1cn2ccnc2s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593309980 994770143 /nfs/dbraw/zinc/77/01/43/994770143.db2.gz DNGKQHIBYJSEIC-HNNXBMFYSA-N -1 0 346.368 2.394 20 5 EEBDRM CON(CC1CCOCC1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001599319176 997550528 /nfs/dbraw/zinc/55/05/28/997550528.db2.gz SCMDHJZFDBCWIW-HYXAFXHYSA-N -1 0 336.344 2.487 20 5 EEBDRM COc1c(F)nccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599328083 997699789 /nfs/dbraw/zinc/69/97/89/997699789.db2.gz HTAJDSJNXNVORH-UHFFFAOYSA-N -1 0 349.274 2.396 20 5 EEBDRM COc1ccc(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1F ZINC001599555734 998087578 /nfs/dbraw/zinc/08/75/78/998087578.db2.gz BSHRPLSNJGEIHZ-UHFFFAOYSA-N -1 0 335.291 2.490 20 5 EEBDRM CC1=C(C(=O)[O-])C[C@@H](Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)O1 ZINC001594108366 998179031 /nfs/dbraw/zinc/17/90/31/998179031.db2.gz JBRUWKLXAUDAOD-JTQLQIEISA-N -1 0 330.296 2.057 20 5 EEBDRM CN(CCC(F)(F)F)c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001519615067 1119093113 /nfs/dbraw/zinc/09/31/13/1119093113.db2.gz VDQQCSYKHCYPRV-UHFFFAOYSA-N -1 0 345.281 2.485 20 5 EEBDRM CC(C)CN(CC(=O)[O-])C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000236655585 242308283 /nfs/dbraw/zinc/30/82/83/242308283.db2.gz GHBNVPUNBSJNKV-UHFFFAOYSA-N -1 0 337.376 2.356 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000238032619 242906959 /nfs/dbraw/zinc/90/69/59/242906959.db2.gz IOCGZQNVUDTRPA-AWEZNQCLSA-N -1 0 331.328 2.084 20 5 EEBDRM COc1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262829972 245201181 /nfs/dbraw/zinc/20/11/81/245201181.db2.gz QGGADHATRBOIDU-BDJLRTHQSA-N -1 0 336.344 2.367 20 5 EEBDRM CC(C)[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000273409461 256293866 /nfs/dbraw/zinc/29/38/66/256293866.db2.gz KHFXSXWJZQZJSX-ZDUSSCGKSA-N -1 0 338.360 2.397 20 5 EEBDRM Cc1c(NC(=O)[C@@H](C)N2CCC(C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000262602270 152295953 /nfs/dbraw/zinc/29/59/53/152295953.db2.gz AAQNCWMKUZADPG-LLVKDONJSA-N -1 0 335.360 2.027 20 5 EEBDRM CCOc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263116739 152379352 /nfs/dbraw/zinc/37/93/52/152379352.db2.gz VBJPXBTVSGOIEM-GWCFXTLKSA-N -1 0 336.344 2.319 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000119033912 159370435 /nfs/dbraw/zinc/37/04/35/159370435.db2.gz GYOLUSQJRLRWDX-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM CCC[C@@H](NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1)c1nnn[n-]1 ZINC000184843341 160019150 /nfs/dbraw/zinc/01/91/50/160019150.db2.gz DLUHAPPJCSJVCM-GXTWGEPZSA-N -1 0 346.391 2.334 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1[N+](=O)[O-] ZINC000237800579 160225051 /nfs/dbraw/zinc/22/50/51/160225051.db2.gz MGCQCLRFCDUELO-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])o1 ZINC000238087531 160228104 /nfs/dbraw/zinc/22/81/04/160228104.db2.gz VYLKUKRORNSVFX-UHFFFAOYSA-N -1 0 333.300 2.004 20 5 EEBDRM O=C(NC[C@@H](O)CCc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000346069543 161354576 /nfs/dbraw/zinc/35/45/76/161354576.db2.gz BVBPJMXHSPZTEP-HNNXBMFYSA-N -1 0 330.340 2.024 20 5 EEBDRM O=C([O-])c1cccc(CC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000347352791 161445661 /nfs/dbraw/zinc/44/56/61/161445661.db2.gz UYXAWDRNSWAQBV-UHFFFAOYSA-N -1 0 328.324 2.194 20 5 EEBDRM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000135984539 292453910 /nfs/dbraw/zinc/45/39/10/292453910.db2.gz JFSBPQZWRHCGOQ-UHFFFAOYSA-N -1 0 333.695 2.009 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCc1ccco1 ZINC000352557142 162185754 /nfs/dbraw/zinc/18/57/54/162185754.db2.gz JZOUINQVMNSSLJ-UHFFFAOYSA-N -1 0 330.749 2.362 20 5 EEBDRM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000356079004 163326202 /nfs/dbraw/zinc/32/62/02/163326202.db2.gz XVJNFVJGOJBYPX-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM Cc1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)[nH]n1 ZINC000274833422 269060825 /nfs/dbraw/zinc/06/08/25/269060825.db2.gz SJFLQWDBKKBPMV-UHFFFAOYSA-N -1 0 330.344 2.352 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)CCCC(=O)[O-])c1C ZINC000275005442 269083791 /nfs/dbraw/zinc/08/37/91/269083791.db2.gz OUGHTTOVLQWIQW-JTQLQIEISA-N -1 0 344.389 2.133 20 5 EEBDRM CC1=C(C)CN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000280076133 269326637 /nfs/dbraw/zinc/32/66/37/269326637.db2.gz VDPRYRXYCBPIPI-UHFFFAOYSA-N -1 0 340.357 2.024 20 5 EEBDRM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000285906634 274812795 /nfs/dbraw/zinc/81/27/95/274812795.db2.gz YQUFRYORZFFPLN-VIFPVBQESA-N -1 0 339.348 2.400 20 5 EEBDRM CCOCC(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000288504496 275064935 /nfs/dbraw/zinc/06/49/35/275064935.db2.gz XNXVXSPQPOVWEK-UHFFFAOYSA-N -1 0 334.369 2.075 20 5 EEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000288727795 275082654 /nfs/dbraw/zinc/08/26/54/275082654.db2.gz ZNRVRVMXHHTZJY-LLVKDONJSA-N -1 0 338.307 2.355 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263136926 279602753 /nfs/dbraw/zinc/60/27/53/279602753.db2.gz ILQLIJRFHYJDDN-LBPRGKRZSA-N -1 0 335.360 2.034 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)[N-]OC[C@@H](C)CC ZINC000293447268 293211364 /nfs/dbraw/zinc/21/13/64/293211364.db2.gz XHUVLLJQKFKUNJ-JTQLQIEISA-N -1 0 339.348 2.026 20 5 EEBDRM CC[C@H](COCC(F)(F)F)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000295425344 293715127 /nfs/dbraw/zinc/71/51/27/293715127.db2.gz MXDMNBYJXJWLIC-MRVPVSSYSA-N -1 0 336.266 2.388 20 5 EEBDRM Cn1cnnc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000179422381 303032430 /nfs/dbraw/zinc/03/24/30/303032430.db2.gz DZUXZFYXYMDEIK-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cncnc2)c(C(F)(F)F)c1 ZINC000362214773 304804587 /nfs/dbraw/zinc/80/45/87/304804587.db2.gz MDMXFHFCLVSYPF-UHFFFAOYSA-N -1 0 348.262 2.204 20 5 EEBDRM Cc1cc(C2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000332478245 312013251 /nfs/dbraw/zinc/01/32/51/312013251.db2.gz VOIGGGSLPGYTCY-UHFFFAOYSA-N -1 0 330.344 2.352 20 5 EEBDRM Cc1csc(N2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000332477354 312013330 /nfs/dbraw/zinc/01/33/30/312013330.db2.gz XDLXHOFAJVZQAR-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM COCCNc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436603086 314979602 /nfs/dbraw/zinc/97/96/02/314979602.db2.gz GXCDOLCIILBWJP-UHFFFAOYSA-N -1 0 345.355 2.289 20 5 EEBDRM COc1ccc(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OC ZINC000436626465 314981840 /nfs/dbraw/zinc/98/18/40/314981840.db2.gz JEQSOWYHNIMVNH-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM CCc1ccc([C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436898604 315011126 /nfs/dbraw/zinc/01/11/26/315011126.db2.gz YZVWAZJCISVEJB-OAHLLOKOSA-N -1 0 330.340 2.326 20 5 EEBDRM CN1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])Cc2ccccc21 ZINC000444539403 315306621 /nfs/dbraw/zinc/30/66/21/315306621.db2.gz FFULOMCLQHYQDF-GFCCVEGCSA-N -1 0 341.367 2.339 20 5 EEBDRM CN1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)Cc2ccccc21 ZINC000444549289 315307657 /nfs/dbraw/zinc/30/76/57/315307657.db2.gz PLIKQGVFICGRHO-GFCCVEGCSA-N -1 0 341.367 2.339 20 5 EEBDRM O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000521879720 316936241 /nfs/dbraw/zinc/93/62/41/316936241.db2.gz PNMXXWXPKYWSGR-LDYMZIIASA-N -1 0 328.752 2.235 20 5 EEBDRM O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000548190530 318363692 /nfs/dbraw/zinc/36/36/92/318363692.db2.gz GEHXTHZBVWTHNP-UHFFFAOYSA-N -1 0 340.295 2.130 20 5 EEBDRM O=C([O-])c1cnc(NC2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000565037949 319142056 /nfs/dbraw/zinc/14/20/56/319142056.db2.gz JVWBJQSLYYQISF-UHFFFAOYSA-N -1 0 348.281 2.127 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC000566229341 319262808 /nfs/dbraw/zinc/26/28/08/319262808.db2.gz PSMBDNKQGWPXHP-UHFFFAOYSA-N -1 0 338.345 2.218 20 5 EEBDRM Cc1nc(N2CCC(c3nc(C(=O)[O-])cs3)CC2)ncc1[N+](=O)[O-] ZINC000566297745 319271444 /nfs/dbraw/zinc/27/14/44/319271444.db2.gz LNZPSGJMMLTUIY-UHFFFAOYSA-N -1 0 349.372 2.232 20 5 EEBDRM Cc1cn2c(n1)[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])CCC2 ZINC000569488304 319581412 /nfs/dbraw/zinc/58/14/12/319581412.db2.gz AINKBEHZZWGUEF-JTQLQIEISA-N -1 0 331.332 2.182 20 5 EEBDRM CC(C)(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000576155899 320145960 /nfs/dbraw/zinc/14/59/60/320145960.db2.gz LZASFMZPPHYGEV-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM COCCOc1ccc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1 ZINC000577497498 320258979 /nfs/dbraw/zinc/25/89/79/320258979.db2.gz ZVMWUWPYIRRSNC-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM CCc1nn(C)c(CC)c1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578195542 320299945 /nfs/dbraw/zinc/29/99/45/320299945.db2.gz BUJZOPDYJZIWLB-UHFFFAOYSA-N -1 0 333.348 2.158 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC([C@H]3CCCO3)CC2)n1 ZINC000580315874 324038347 /nfs/dbraw/zinc/03/83/47/324038347.db2.gz QJQLIEZHOWABES-CYBMUJFWSA-N -1 0 335.360 2.392 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C)s1 ZINC000083955947 463568807 /nfs/dbraw/zinc/56/88/07/463568807.db2.gz GQSISOPAFVMUQN-UHFFFAOYSA-N -1 0 328.375 2.118 20 5 EEBDRM COc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000326996683 465047289 /nfs/dbraw/zinc/04/72/89/465047289.db2.gz CJOSLLTXSMEHDD-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM O=C([O-])c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000336865641 465059376 /nfs/dbraw/zinc/05/93/76/465059376.db2.gz YELRJRIHYHXTQR-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM COC(=O)c1[nH]c(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000356318647 465310067 /nfs/dbraw/zinc/31/00/67/465310067.db2.gz GQIPTZHCICALKY-UHFFFAOYSA-N -1 0 333.300 2.284 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cn1 ZINC000590597516 468281808 /nfs/dbraw/zinc/28/18/08/468281808.db2.gz JMZNIOABZBUPBD-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccnc3)n[nH]2)c1 ZINC000153419602 462649049 /nfs/dbraw/zinc/64/90/49/462649049.db2.gz GIHFNTYMONZERJ-UHFFFAOYSA-N -1 0 345.340 2.181 20 5 EEBDRM O=c1[n-]c(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000075109965 462677186 /nfs/dbraw/zinc/67/71/86/462677186.db2.gz IPMOABSFKRUUOQ-UHFFFAOYSA-N -1 0 337.645 2.291 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](c3ccnn3C)C2)n1 ZINC000579112536 468312586 /nfs/dbraw/zinc/31/25/86/468312586.db2.gz DWXQOQVJTMEMTK-LLVKDONJSA-N -1 0 345.359 2.114 20 5 EEBDRM CC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000521631563 468326156 /nfs/dbraw/zinc/32/61/56/468326156.db2.gz QRPIGISJCKEZRM-SNVBAGLBSA-N -1 0 342.373 2.246 20 5 EEBDRM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000156568516 463042499 /nfs/dbraw/zinc/04/24/99/463042499.db2.gz YNQTVRAOCBAZLQ-AWEZNQCLSA-N -1 0 345.355 2.460 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000057721832 463514189 /nfs/dbraw/zinc/51/41/89/463514189.db2.gz PIXUUPGQRAQPMV-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCOc2ccccc21 ZINC000108875179 463626309 /nfs/dbraw/zinc/62/63/09/463626309.db2.gz RNZQZKDPNXJZBK-GFCCVEGCSA-N -1 0 348.380 2.439 20 5 EEBDRM C[S@@](=O)C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000164773929 463631583 /nfs/dbraw/zinc/63/15/83/463631583.db2.gz XVPGWGRNCXAENQ-OZAJXLCCSA-N -1 0 348.380 2.150 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nnc3ccccn32)c1C ZINC000112495893 463702820 /nfs/dbraw/zinc/70/28/20/463702820.db2.gz XQGOBTYZTCUDFR-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000282997781 463728835 /nfs/dbraw/zinc/72/88/35/463728835.db2.gz YPVRLXMGLJNWDN-ZDUSSCGKSA-N -1 0 342.373 2.003 20 5 EEBDRM Cc1c(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000261727094 463840802 /nfs/dbraw/zinc/84/08/02/463840802.db2.gz RHISXIOWYQCDBO-ZDUSSCGKSA-N -1 0 346.261 2.382 20 5 EEBDRM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000194639343 463900530 /nfs/dbraw/zinc/90/05/30/463900530.db2.gz JAASZAWWADRNJV-OAQYLSRUSA-N -1 0 340.382 2.133 20 5 EEBDRM CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269219827 463914986 /nfs/dbraw/zinc/91/49/86/463914986.db2.gz ZPXWAEXXXWZZGH-GFCCVEGCSA-N -1 0 349.387 2.069 20 5 EEBDRM O=C(NCc1ccc(N2CCCC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194745115 463922071 /nfs/dbraw/zinc/92/20/71/463922071.db2.gz BHJUJFCINZFDDM-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM CC1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269498191 464002322 /nfs/dbraw/zinc/00/23/22/464002322.db2.gz VXPBGUCCUJFFPH-UHFFFAOYSA-N -1 0 349.206 2.434 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000283809873 464018430 /nfs/dbraw/zinc/01/84/30/464018430.db2.gz IDAFWLHTUHHPQY-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000263499171 464116653 /nfs/dbraw/zinc/11/66/53/464116653.db2.gz SGIGDUDSRCJNBT-NXEZZACHSA-N -1 0 347.249 2.322 20 5 EEBDRM O=C(Nc1cccnc1-n1cccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179421138 464133385 /nfs/dbraw/zinc/13/33/85/464133385.db2.gz KHSLLTAZRHHMOC-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)Nc1ccccc1 ZINC000179493263 464146060 /nfs/dbraw/zinc/14/60/60/464146060.db2.gz ZHEZCDDJBYUKPU-SNVBAGLBSA-N -1 0 329.312 2.057 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237973258 464413681 /nfs/dbraw/zinc/41/36/81/464413681.db2.gz YEHZDPSZQODRKH-QEJZJMRPSA-N -1 0 332.356 2.382 20 5 EEBDRM O=C([O-])CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000238169012 464436994 /nfs/dbraw/zinc/43/69/94/464436994.db2.gz HWGPNDFPUUJXOR-UHFFFAOYSA-N -1 0 349.265 2.007 20 5 EEBDRM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000190706044 464705559 /nfs/dbraw/zinc/70/55/59/464705559.db2.gz ITCAMFOVLWASIV-SNVBAGLBSA-N -1 0 332.364 2.107 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000282775072 464944341 /nfs/dbraw/zinc/94/43/41/464944341.db2.gz ICFMTSKDHKHCHQ-ZDUSSCGKSA-N -1 0 342.373 2.003 20 5 EEBDRM CCOC(=O)C(C)(C)ONC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000295791632 464966859 /nfs/dbraw/zinc/96/68/59/464966859.db2.gz ZCEAOJPXNKEMEV-UHFFFAOYSA-N -1 0 349.343 2.008 20 5 EEBDRM Cc1cccc(N(CCC(N)=O)C(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000184455476 464977373 /nfs/dbraw/zinc/97/73/73/464977373.db2.gz WEVADOLCRJXTIL-UHFFFAOYSA-N -1 0 343.339 2.131 20 5 EEBDRM O=C(Nc1cccc(Cn2cncn2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356354449 465333697 /nfs/dbraw/zinc/33/36/97/465333697.db2.gz WXIAJRFZZGBLLE-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM COCc1nocc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000343035620 465468436 /nfs/dbraw/zinc/46/84/36/465468436.db2.gz VDEJBIRMSRMREV-UHFFFAOYSA-N -1 0 327.680 2.341 20 5 EEBDRM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000353888517 466233721 /nfs/dbraw/zinc/23/37/21/466233721.db2.gz LKNCJYFZTMETSY-UHFFFAOYSA-N -1 0 326.671 2.322 20 5 EEBDRM O=C([O-])c1cn(CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nn1 ZINC000325045007 466652900 /nfs/dbraw/zinc/65/29/00/466652900.db2.gz LZNMWVRUUHKBMX-UHFFFAOYSA-N -1 0 345.237 2.015 20 5 EEBDRM O=C(N[C@H]1COc2cc(F)cc(F)c21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000364928339 466723640 /nfs/dbraw/zinc/72/36/40/466723640.db2.gz CWFWZCXRXXUYLS-JTQLQIEISA-N -1 0 336.250 2.442 20 5 EEBDRM NC(=O)c1ccc(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000488801908 468105827 /nfs/dbraw/zinc/10/58/27/468105827.db2.gz QHKRFAHRQQUOJH-UHFFFAOYSA-N -1 0 349.730 2.234 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000582363193 468529768 /nfs/dbraw/zinc/52/97/68/468529768.db2.gz MFJVMXDFRJBOKG-QWRGUYRKSA-N -1 0 337.376 3.002 20 5 EEBDRM CCCN(CCC)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000592131069 468632577 /nfs/dbraw/zinc/63/25/77/468632577.db2.gz SXSQQJOUCJQMJE-UHFFFAOYSA-N -1 0 344.389 2.412 20 5 EEBDRM CCC[C@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC)C(=O)[O-] ZINC000592145723 468636903 /nfs/dbraw/zinc/63/69/03/468636903.db2.gz YQWCSRNIRAWIBR-AWEZNQCLSA-N -1 0 344.389 2.079 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NCCC(C)(C)F)cc1[N+](=O)[O-] ZINC000594721491 468663160 /nfs/dbraw/zinc/66/31/60/468663160.db2.gz VFTKYGCUXCOLOF-UHFFFAOYSA-N -1 0 348.352 2.018 20 5 EEBDRM CCC(C)(C)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000594719996 468663664 /nfs/dbraw/zinc/66/36/64/468663664.db2.gz MJBVLBYFXBZUTP-SECBINFHSA-N -1 0 344.389 2.396 20 5 EEBDRM CCN(Cc1ccc2c(c1)OCO2)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592967017 468830124 /nfs/dbraw/zinc/83/01/24/468830124.db2.gz AHQSDCUWQVNUID-UHFFFAOYSA-N -1 0 345.311 2.443 20 5 EEBDRM CN(C)c1ccccc1CN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592977337 468832895 /nfs/dbraw/zinc/83/28/95/468832895.db2.gz PDBBRJSJJSVULX-UHFFFAOYSA-N -1 0 330.344 2.390 20 5 EEBDRM O=C([O-])C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 ZINC000592980921 468833217 /nfs/dbraw/zinc/83/32/17/468833217.db2.gz KUHBDHSKYCALKM-LBPRGKRZSA-N -1 0 349.368 2.398 20 5 EEBDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000592981008 468833528 /nfs/dbraw/zinc/83/35/28/468833528.db2.gz OIZLKADYKORVJW-LBPRGKRZSA-N -1 0 342.355 2.403 20 5 EEBDRM O=C(N[C@@H]1CCCc2c[nH]nc21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000571803993 468840834 /nfs/dbraw/zinc/84/08/34/468840834.db2.gz CCSXKYLRGWPMCE-SNVBAGLBSA-N -1 0 336.735 2.484 20 5 EEBDRM O=C(N[C@H]1CCCc2c[nH]nc21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000571803992 468840844 /nfs/dbraw/zinc/84/08/44/468840844.db2.gz CCSXKYLRGWPMCE-JTQLQIEISA-N -1 0 336.735 2.484 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000572606445 468957209 /nfs/dbraw/zinc/95/72/09/468957209.db2.gz SLCPKVRYJYVTDZ-QGZVFWFLSA-N -1 0 345.355 2.461 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1CO ZINC000598780153 469002089 /nfs/dbraw/zinc/00/20/89/469002089.db2.gz GWIKEUMYSMSJMC-RKDXNWHRSA-N -1 0 328.752 2.044 20 5 EEBDRM C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000573255107 469092610 /nfs/dbraw/zinc/09/26/10/469092610.db2.gz LFOQPAWPGBMFDK-ZJUUUORDSA-N -1 0 342.373 2.150 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000595979828 469104867 /nfs/dbraw/zinc/10/48/67/469104867.db2.gz VBVBAOFEJIZGOK-PTHKFVFGSA-N -1 0 334.250 2.250 20 5 EEBDRM C[C@]1(O)CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000563191394 469193971 /nfs/dbraw/zinc/19/39/71/469193971.db2.gz AKCRKUFMCFQWKG-AWEZNQCLSA-N -1 0 328.752 2.331 20 5 EEBDRM O=C(NCCc1nc2ccccc2o1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611557809 469278703 /nfs/dbraw/zinc/27/87/03/469278703.db2.gz DAAHCXMPZPWGLM-UHFFFAOYSA-N -1 0 327.296 2.414 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000732906190 577196808 /nfs/dbraw/zinc/19/68/08/577196808.db2.gz VZLWJDUCTQQPLS-NSHDSACASA-N -1 0 328.390 2.020 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000774297140 577394138 /nfs/dbraw/zinc/39/41/38/577394138.db2.gz WJSJONFUTYUZKL-SECBINFHSA-N -1 0 344.414 2.074 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1F ZINC000776647480 577465341 /nfs/dbraw/zinc/46/53/41/577465341.db2.gz POMBXGCXMHBOCP-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)nc1C ZINC000768035553 577549298 /nfs/dbraw/zinc/54/92/98/577549298.db2.gz BGRVHWWOBNFYDD-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM Cc1cscc1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000750687869 577741238 /nfs/dbraw/zinc/74/12/38/577741238.db2.gz BKGNBLIYBTTYLL-UHFFFAOYSA-N -1 0 344.345 2.223 20 5 EEBDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000754757479 577812168 /nfs/dbraw/zinc/81/21/68/577812168.db2.gz LUASZSJOUDRMIV-UHFFFAOYSA-N -1 0 338.341 2.343 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C(=O)[O-])c1ccccc1 ZINC000738746231 578025546 /nfs/dbraw/zinc/02/55/46/578025546.db2.gz GMROPIMJRLKHRY-INIZCTEOSA-N -1 0 343.339 2.257 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738869796 578029351 /nfs/dbraw/zinc/02/93/51/578029351.db2.gz PTMGVYVMXCEBEE-UHFFFAOYSA-N -1 0 343.299 2.091 20 5 EEBDRM Cc1sc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000738990872 578033870 /nfs/dbraw/zinc/03/38/70/578033870.db2.gz RDGRUNPKIBIYAB-SNVBAGLBSA-N -1 0 342.373 2.061 20 5 EEBDRM NC(=O)[C@@H]1CCC[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000739152397 578041023 /nfs/dbraw/zinc/04/10/23/578041023.db2.gz HFDKQBVVBMQUTQ-ONYUAGEFSA-N -1 0 333.344 2.149 20 5 EEBDRM NC(=O)C1(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000739156001 578041235 /nfs/dbraw/zinc/04/12/35/578041235.db2.gz YXRQSCMPOXMNFO-GQCTYLIASA-N -1 0 333.344 2.150 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@H]2COc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000740081487 578080104 /nfs/dbraw/zinc/08/01/04/578080104.db2.gz PLKXBSDYHPFDLC-GFCCVEGCSA-N -1 0 342.307 2.483 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCOCC1CC1 ZINC000740094401 578080607 /nfs/dbraw/zinc/08/06/07/578080607.db2.gz COSUNSVKENHKMP-UHFFFAOYSA-N -1 0 325.277 2.040 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H]1CCCC[C@H]1O ZINC000740096633 578080705 /nfs/dbraw/zinc/08/07/05/578080705.db2.gz NYAUUWLEAHKUOB-PRHODGIISA-N -1 0 339.304 2.164 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000740163927 578083472 /nfs/dbraw/zinc/08/34/72/578083472.db2.gz CHALICTUSARGPL-UHFFFAOYSA-N -1 0 348.286 2.241 20 5 EEBDRM CC(C)(C(=O)NCCSCCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000736223809 578188209 /nfs/dbraw/zinc/18/82/09/578188209.db2.gz RHAZQTMGCPXDHJ-UHFFFAOYSA-N -1 0 340.401 2.197 20 5 EEBDRM C[C@H](CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736563884 578211450 /nfs/dbraw/zinc/21/14/50/578211450.db2.gz WFZOVFLKZDZBDE-LLVKDONJSA-N -1 0 336.344 2.075 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NC[C@H]2CC2(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657981 578216834 /nfs/dbraw/zinc/21/68/34/578216834.db2.gz XFUNZGNENYSNFX-GXSJLCMTSA-N -1 0 335.360 2.256 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000013167439 596935305 /nfs/dbraw/zinc/93/53/05/596935305.db2.gz SGCZNIAFOFYTKB-JTQLQIEISA-N -1 0 338.385 2.399 20 5 EEBDRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000692402035 599996483 /nfs/dbraw/zinc/99/64/83/599996483.db2.gz HLISQPHIBYKMSU-UHFFFAOYSA-N -1 0 332.287 2.461 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263288052 600653232 /nfs/dbraw/zinc/65/32/32/600653232.db2.gz UVCANZVECUHZMM-ZDUSSCGKSA-N -1 0 335.360 2.034 20 5 EEBDRM O=C([O-])CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000833245035 601145246 /nfs/dbraw/zinc/14/52/46/601145246.db2.gz HZIXVYIZILCISH-UHFFFAOYSA-N -1 0 332.287 2.394 20 5 EEBDRM Cc1ccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000832952265 601302822 /nfs/dbraw/zinc/30/28/22/601302822.db2.gz VXOVZLLVUGBPNI-UHFFFAOYSA-N -1 0 329.312 2.312 20 5 EEBDRM O=C([O-])c1ccc(-c2nnn(Cc3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000833307142 601347722 /nfs/dbraw/zinc/34/77/22/601347722.db2.gz BIHYUMNAIGKIJF-UHFFFAOYSA-N -1 0 343.274 2.134 20 5 EEBDRM C[C@@H](CS(=O)(=O)Oc1ccc([N+](=O)[O-])c2ccccc12)C(=O)[O-] ZINC000827571679 601804134 /nfs/dbraw/zinc/80/41/34/601804134.db2.gz PAFHFLAJGLRLAH-VIFPVBQESA-N -1 0 339.325 2.177 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000832476205 601820766 /nfs/dbraw/zinc/82/07/66/601820766.db2.gz GLVAJOVUCVZIFS-CQSZACIVSA-N -1 0 348.286 2.298 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCc2ccc(Cl)nc2)cc([N+](=O)[O-])c1 ZINC000833298096 602192015 /nfs/dbraw/zinc/19/20/15/602192015.db2.gz NEVUQWJNALHNEY-UHFFFAOYSA-N -1 0 349.730 2.314 20 5 EEBDRM COC(=O)c1cc(N2CCC(CC(=O)[O-])CC2)cc(C)c1[N+](=O)[O-] ZINC000831251598 602314873 /nfs/dbraw/zinc/31/48/73/602314873.db2.gz KPQJWPQDYFWVPC-UHFFFAOYSA-N -1 0 336.344 2.381 20 5 EEBDRM COc1cc(C(=O)N(C)c2ncc(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC000831866025 602335486 /nfs/dbraw/zinc/33/54/86/602335486.db2.gz HSKFCILRDDATAS-UHFFFAOYSA-N -1 0 337.313 2.035 20 5 EEBDRM COc1ccc(CNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000832336304 604288568 /nfs/dbraw/zinc/28/85/68/604288568.db2.gz PAJWYZDWPQWQJK-UHFFFAOYSA-N -1 0 347.327 2.177 20 5 EEBDRM CC1=C(C(=O)[O-])[C@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1CC1CC1 ZINC000833579097 605161989 /nfs/dbraw/zinc/16/19/89/605161989.db2.gz XMTFEAQUVRCXKE-LBPRGKRZSA-N -1 0 337.357 2.491 20 5 EEBDRM CC(C)C(=O)NC[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833462860 605181678 /nfs/dbraw/zinc/18/16/78/605181678.db2.gz HOTQAELPPXMSDL-GFCCVEGCSA-N -1 0 349.387 2.282 20 5 EEBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nc1 ZINC000120081698 674586772 /nfs/dbraw/zinc/58/67/72/674586772.db2.gz RNMAECMBBKQASU-UHFFFAOYSA-N -1 0 327.343 2.055 20 5 EEBDRM C[C@@H](CN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000263229242 689523532 /nfs/dbraw/zinc/52/35/32/689523532.db2.gz MDWABZZZPZBJGB-QMMMGPOBSA-N -1 0 329.740 2.110 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000795629976 1214416427 /nfs/dbraw/zinc/41/64/27/1214416427.db2.gz NHRQXDRAJUXFAX-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM Cc1cc(C)cc([C@H](O)CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000801527479 1235784837 /nfs/dbraw/zinc/78/48/37/1235784837.db2.gz LNRFDDINNXLUQF-MRXNPFEDSA-N -1 0 330.340 2.381 20 5 EEBDRM Cc1cc(C)cc([C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000801527365 1235785383 /nfs/dbraw/zinc/78/53/83/1235785383.db2.gz AERSQMKYFCAZMG-INIZCTEOSA-N -1 0 330.340 2.381 20 5 EEBDRM COc1ccc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)cc1OC ZINC001213595926 1296102663 /nfs/dbraw/zinc/10/26/63/1296102663.db2.gz DANXNPKDQCGLJF-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000179601363 1296511498 /nfs/dbraw/zinc/51/14/98/1296511498.db2.gz PKMXAPIWXRCHSE-CYBMUJFWSA-N -1 0 328.390 2.472 20 5 EEBDRM COC(=O)[C@H]1CCC[C@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228604399 1302334559 /nfs/dbraw/zinc/33/45/59/1302334559.db2.gz RKSVUJSOPOLMER-UWVGGRQHSA-N -1 0 337.332 2.078 20 5 EEBDRM C[C@H]1[C@@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001228973522 1302552889 /nfs/dbraw/zinc/55/28/89/1302552889.db2.gz KFWQTQDNRQGSBP-UFBFGSQYSA-N -1 0 340.332 2.393 20 5 EEBDRM CO[C@@H](C)CO[C@H](C)COc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231226239 1303691594 /nfs/dbraw/zinc/69/15/94/1303691594.db2.gz BIINDSPJAIVZND-DTWKUNHWSA-N -1 0 330.293 2.027 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cs1 ZINC001116615939 1305905644 /nfs/dbraw/zinc/90/56/44/1305905644.db2.gz RFNIQIDRVREVSP-UHFFFAOYSA-N -1 0 336.354 2.400 20 5 EEBDRM CC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842404364 1315698571 /nfs/dbraw/zinc/69/85/71/1315698571.db2.gz QNNVXKFXRYESJT-JTQLQIEISA-N -1 0 328.390 2.285 20 5 EEBDRM O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)[N-]OCc1ccccc1 ZINC001254088283 1317999421 /nfs/dbraw/zinc/99/94/21/1317999421.db2.gz UYJIZQSEWDYGDF-UHFFFAOYSA-N -1 0 327.340 2.158 20 5 EEBDRM COC(=O)c1n[nH]cc1[N-]C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001158632544 1319347247 /nfs/dbraw/zinc/34/72/47/1319347247.db2.gz ATTCZZGTURRKAY-UHFFFAOYSA-N -1 0 347.665 2.314 20 5 EEBDRM Cn1cnc(S(=O)(=O)[N-]c2cccc3nc4ccccc4nc23)c1 ZINC001258999678 1319408559 /nfs/dbraw/zinc/40/85/59/1319408559.db2.gz ZTUHSLVXEDOEPK-UHFFFAOYSA-N -1 0 339.380 2.317 20 5 EEBDRM O=C([O-])c1cnc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC001608475835 1351702160 /nfs/dbraw/zinc/70/21/60/1351702160.db2.gz SBQBSAUYUQMZSR-UHFFFAOYSA-N -1 0 341.732 2.333 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC001601287904 1350249875 /nfs/dbraw/zinc/24/98/75/1350249875.db2.gz SGCHCOOPCWKUIM-UHFFFAOYSA-N -1 0 333.275 2.398 20 5 EEBDRM O=C([O-])c1c[nH]c(=O)c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001602233343 1350472108 /nfs/dbraw/zinc/47/21/08/1350472108.db2.gz ANSYGRRARYRVNT-NWDGAFQWSA-N -1 0 343.295 2.136 20 5 EEBDRM CC(C)(NC(=O)CCSCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001603671334 1350738749 /nfs/dbraw/zinc/73/87/49/1350738749.db2.gz DPIZUJPKMCPLBX-UHFFFAOYSA-N -1 0 326.374 2.154 20 5 EEBDRM Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC001607727311 1351547362 /nfs/dbraw/zinc/54/73/62/1351547362.db2.gz APLZSALRORRCMO-KRWDZBQOSA-N -1 0 344.323 2.339 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NC[C@@H](O)c2cncs2)c([N+](=O)[O-])c1 ZINC001608661462 1351736765 /nfs/dbraw/zinc/73/67/65/1351736765.db2.gz XARWPUTVAPHDDQ-DTRQGZQOSA-N -1 0 335.341 2.295 20 5 EEBDRM O=C([O-])Cc1cccc(NCc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001608786984 1351763418 /nfs/dbraw/zinc/76/34/18/1351763418.db2.gz GOWXBYGPTHGVCM-UHFFFAOYSA-N -1 0 328.284 2.370 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CCN(c1cc(F)c([N+](=O)[O-])cc1CO)C2 ZINC001608921474 1351794927 /nfs/dbraw/zinc/79/49/27/1351794927.db2.gz IQQDTLYLUXATPS-UHFFFAOYSA-N -1 0 346.314 2.487 20 5 EEBDRM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001321049175 1333005563 /nfs/dbraw/zinc/00/55/63/1333005563.db2.gz MQFLVKUALSOCPP-UHFFFAOYSA-N -1 0 349.368 2.096 20 5 EEBDRM Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCSC(C)(C)C1 ZINC001339195054 1336973666 /nfs/dbraw/zinc/97/36/66/1336973666.db2.gz YAWXQQUSOWKXMM-UHFFFAOYSA-N -1 0 349.416 2.428 20 5 EEBDRM CC[C@H]1CN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2C)C[C@@H](C)O1 ZINC001344234368 1337385210 /nfs/dbraw/zinc/38/52/10/1337385210.db2.gz LNTXRAKTTLKOGA-PWSUYJOCSA-N -1 0 347.375 2.100 20 5 EEBDRM CN(C1CC(C)(C)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001610106850 1352163300 /nfs/dbraw/zinc/16/33/00/1352163300.db2.gz IZLNBUFRPACLAB-UHFFFAOYSA-N -1 0 342.373 2.102 20 5 EEBDRM Cc1cc(COC(=O)CNc2ccccc2[N+](=O)[O-])oc1C(=O)[O-] ZINC001610460837 1352226583 /nfs/dbraw/zinc/22/65/83/1352226583.db2.gz BJUZNOTWWNBPAW-UHFFFAOYSA-N -1 0 334.284 2.350 20 5 EEBDRM Cc1ccc(OS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001610511099 1352236260 /nfs/dbraw/zinc/23/62/60/1352236260.db2.gz YPTXRCJOSKNTST-DGCLKSJQSA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001610559954 1352244925 /nfs/dbraw/zinc/24/49/25/1352244925.db2.gz YXGJLYMMRJZCRO-UHFFFAOYSA-N -1 0 339.691 2.057 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCCC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC001610750477 1352268800 /nfs/dbraw/zinc/26/88/00/1352268800.db2.gz LPPZOGXPXIVFRQ-YWEYNIOJSA-N -1 0 333.344 2.163 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@H](C(F)F)C1 ZINC001610817222 1352279572 /nfs/dbraw/zinc/27/95/72/1352279572.db2.gz BELRNNHEOCDSHK-ZCFIWIBFSA-N -1 0 331.231 2.293 20 5 EEBDRM O=C([O-])c1cn(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C2CC2)n1 ZINC001610860756 1352286467 /nfs/dbraw/zinc/28/64/67/1352286467.db2.gz MLIQPUSGABDPKC-UHFFFAOYSA-N -1 0 332.272 2.323 20 5 EEBDRM O=C([O-])c1nn(C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2c1CCCC2 ZINC001610871537 1352288417 /nfs/dbraw/zinc/28/84/17/1352288417.db2.gz NPDCESPLPMFKIL-AWEZNQCLSA-N -1 0 331.328 2.102 20 5 EEBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC12CCC2 ZINC001590273846 1349243898 /nfs/dbraw/zinc/24/38/98/1349243898.db2.gz AVKGUDQFWSQRJV-JTQLQIEISA-N -1 0 343.391 2.374 20 5 EEBDRM Cc1c(NC(=O)NC[C@@H](C)C[C@@H](C)O)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600038774 1349959783 /nfs/dbraw/zinc/95/97/83/1349959783.db2.gz CVFKXAYIOAFWEM-DTWKUNHWSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1cc(C)cc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(=O)[O-])c1 ZINC001600169879 1349984665 /nfs/dbraw/zinc/98/46/65/1349984665.db2.gz TUEMMRCAXNMVPD-OAHLLOKOSA-N -1 0 343.339 2.350 20 5 EEBDRM Cc1cc(N2CC[C@](CO)(C(F)(F)F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600237746 1349999163 /nfs/dbraw/zinc/99/91/63/1349999163.db2.gz FXFNULMOAFWGNL-ZDUSSCGKSA-N -1 0 348.277 2.353 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001600304852 1350015459 /nfs/dbraw/zinc/01/54/59/1350015459.db2.gz PXDOLJQUJIAREY-OAHLLOKOSA-N -1 0 346.314 2.468 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001600306787 1350016225 /nfs/dbraw/zinc/01/62/25/1350016225.db2.gz LHTDXTHHVHNHTM-UHFFFAOYSA-N -1 0 327.300 2.485 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c1C ZINC001600486624 1350063401 /nfs/dbraw/zinc/06/34/01/1350063401.db2.gz AFZGKPGLEBNKDY-XQHKEYJVSA-N -1 0 332.356 2.441 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CC[C@H](C(=O)[O-])CC3)n2)n1C ZINC001600718698 1350120482 /nfs/dbraw/zinc/12/04/82/1350120482.db2.gz XMIWPIKNOQACIR-KYZUINATSA-N -1 0 335.320 2.045 20 5 EEBDRM Cc1nc(COC(=O)c2cc([N+](=O)[O-])cnc2C)sc1C(=O)[O-] ZINC001600748391 1350127321 /nfs/dbraw/zinc/12/73/21/1350127321.db2.gz PFSGREPXXSNOCI-UHFFFAOYSA-N -1 0 337.313 2.118 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001601528441 1350300863 /nfs/dbraw/zinc/30/08/63/1350300863.db2.gz AGXLQZWOGZRKTC-GMSGAONNSA-N -1 0 332.234 2.064 20 5 EEBDRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1CCOC1 ZINC001601655368 1350329834 /nfs/dbraw/zinc/32/98/34/1350329834.db2.gz MWGCDRRJVIYCAE-ZYHUDNBSSA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC001601663982 1350331919 /nfs/dbraw/zinc/33/19/19/1350331919.db2.gz AQQVWDCTHUMBBR-RRFJBIMHSA-N -1 0 341.323 2.035 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCc2nnc3n2CCCC3)c([N+](=O)[O-])c1 ZINC001601882362 1350389638 /nfs/dbraw/zinc/38/96/38/1350389638.db2.gz HAWTUZAVXKRVNV-ALCCZGGFSA-N -1 0 343.343 2.233 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC001601899193 1350392702 /nfs/dbraw/zinc/39/27/02/1350392702.db2.gz APJLMEUJKIUAJJ-NSHDSACASA-N -1 0 344.726 2.299 20 5 EEBDRM O=C([O-])CC1CC(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001601943733 1350402340 /nfs/dbraw/zinc/40/23/40/1350402340.db2.gz UMVNHYGSFZLNFY-UHFFFAOYSA-N -1 0 341.751 2.301 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001601954867 1350405076 /nfs/dbraw/zinc/40/50/76/1350405076.db2.gz CBMLUQVHBILFHE-SNVBAGLBSA-N -1 0 341.751 2.126 20 5 EEBDRM O=C([O-])CCCCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001601989061 1350411980 /nfs/dbraw/zinc/41/19/80/1350411980.db2.gz JAPMYSKYSKFCCG-UHFFFAOYSA-N -1 0 333.300 2.397 20 5 EEBDRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001602107924 1350440301 /nfs/dbraw/zinc/44/03/01/1350440301.db2.gz JITWVSHQCAVXHB-SWLSCSKDSA-N -1 0 347.371 2.306 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC001602386245 1350508054 /nfs/dbraw/zinc/50/80/54/1350508054.db2.gz GMWOZMPVTPPGAM-UHFFFAOYSA-N -1 0 331.284 2.045 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCc3nc[nH]c3C23CCC3)c1 ZINC001602404203 1350511389 /nfs/dbraw/zinc/51/13/89/1350511389.db2.gz UHVSSSCCUOCSEB-UHFFFAOYSA-N -1 0 342.355 2.454 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@]3(CNc4ccccc43)C2)n1 ZINC001602403510 1350511598 /nfs/dbraw/zinc/51/15/98/1350511598.db2.gz JFRLDWMXESUGLD-KRWDZBQOSA-N -1 0 340.339 2.262 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](O)Cc2ccc(F)cc2)c1 ZINC001602404803 1350511926 /nfs/dbraw/zinc/51/19/26/1350511926.db2.gz AOJQDIBXGMLATN-ZDUSSCGKSA-N -1 0 334.303 2.448 20 5 EEBDRM O=C([O-])[C@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C[C@H]1CCCC2 ZINC001602624090 1350560553 /nfs/dbraw/zinc/56/05/53/1350560553.db2.gz SKUGPROAQMKFAN-QLJPJBMISA-N -1 0 336.319 2.451 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2Cc3ccccc3NC(=O)C2)c1 ZINC001602650546 1350566327 /nfs/dbraw/zinc/56/63/27/1350566327.db2.gz BDVAVFMXDOEYPB-UHFFFAOYSA-N -1 0 327.296 2.252 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001602984435 1350618361 /nfs/dbraw/zinc/61/83/61/1350618361.db2.gz LUFKXFANLZJWNU-XLNAKTSKSA-N -1 0 348.355 2.138 20 5 EEBDRM CC(C)(C(=O)OCc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(F)F ZINC001603050511 1350628225 /nfs/dbraw/zinc/62/82/25/1350628225.db2.gz QLCCNJSCSOWYPM-UHFFFAOYSA-N -1 0 341.274 2.109 20 5 EEBDRM C[C@H](CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC001604119320 1350864266 /nfs/dbraw/zinc/86/42/66/1350864266.db2.gz HLSVBBGZUAYYGD-SECBINFHSA-N -1 0 333.300 2.126 20 5 EEBDRM C[C@@](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)(C(=O)[O-])C1CC1 ZINC001604308796 1350912925 /nfs/dbraw/zinc/91/29/25/1350912925.db2.gz XMRKGFBMEMKUHJ-AWEZNQCLSA-N -1 0 344.270 2.179 20 5 EEBDRM CCCc1nc(C)c(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC001605379615 1351149091 /nfs/dbraw/zinc/14/90/91/1351149091.db2.gz WVLIHWVQRIRZEZ-UHFFFAOYSA-N -1 0 347.327 2.472 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c1[N+](=O)[O-] ZINC001605776249 1351222945 /nfs/dbraw/zinc/22/29/45/1351222945.db2.gz UYQQXCWSVPCFEV-GFCCVEGCSA-N -1 0 346.343 2.135 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001605883001 1351245371 /nfs/dbraw/zinc/24/53/71/1351245371.db2.gz CTKQCDSXJYQJIQ-QGZVFWFLSA-N -1 0 348.355 2.446 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001607446104 1351495544 /nfs/dbraw/zinc/49/55/44/1351495544.db2.gz XVDZZJPLILLQET-HTQZYQBOSA-N -1 0 341.751 2.156 20 5 EEBDRM Cc1c(Br)ccc(OCC(=O)CCC(=O)[O-])c1[N+](=O)[O-] ZINC001607502585 1351506686 /nfs/dbraw/zinc/50/66/86/1351506686.db2.gz SOZBHPIUNNLENZ-UHFFFAOYSA-N -1 0 346.133 2.478 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC001607512657 1351508581 /nfs/dbraw/zinc/50/85/81/1351508581.db2.gz DPGRPAXOBHHDAU-SNVBAGLBSA-N -1 0 345.355 2.360 20 5 EEBDRM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607935681 1351589216 /nfs/dbraw/zinc/58/92/16/1351589216.db2.gz VIXSNCZGCQHYOZ-SSDOTTSWSA-N -1 0 332.316 2.375 20 5 EEBDRM Nc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001608273677 1351660811 /nfs/dbraw/zinc/66/08/11/1351660811.db2.gz WOWRZVUMCSVEOK-UHFFFAOYSA-N -1 0 329.312 2.447 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001608274547 1351661354 /nfs/dbraw/zinc/66/13/54/1351661354.db2.gz KIGXTIJFUSOSFW-UHFFFAOYSA-N -1 0 335.360 2.332 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC001608387010 1351684126 /nfs/dbraw/zinc/68/41/26/1351684126.db2.gz FZVMSSQABKNYJN-GFCCVEGCSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([O-])c1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC001608468503 1351701201 /nfs/dbraw/zinc/70/12/01/1351701201.db2.gz SPMWAZFAQQMOEK-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848593258 1373159928 /nfs/dbraw/zinc/15/99/28/1373159928.db2.gz CHASNIOEUDQCDL-UTUOFQBUSA-N -1 0 328.271 2.003 20 5 EEBDRM Cc1ccc(C)c(C(=O)[C@H](C)n2cc([N+](=O)[O-])c(-c3nnn[n-]3)n2)c1 ZINC001592137310 1404004420 /nfs/dbraw/zinc/00/44/20/1404004420.db2.gz UUSADYGDLUOXMK-JTQLQIEISA-N -1 0 341.331 2.032 20 5 EEBDRM CN1C(=O)Cc2cc(Nc3ccc(CC(=O)[O-])cc3[N+](=O)[O-])ccc21 ZINC001606192962 1404775730 /nfs/dbraw/zinc/77/57/30/1404775730.db2.gz RAONXYUIUPASHP-UHFFFAOYSA-N -1 0 341.323 2.484 20 5 EEBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000785076022 759911517 /nfs/dbraw/zinc/91/15/17/759911517.db2.gz BCSUPJQYKHLIFY-MRVPVSSYSA-N -1 0 326.330 2.199 20 5 EEBDRM COCc1cnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000795600709 791034961 /nfs/dbraw/zinc/03/49/61/791034961.db2.gz JUJDELZRDPSHCH-UHFFFAOYSA-N -1 0 335.388 2.060 20 5 EEBDRM CCC(CC)(CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)[O-] ZINC000818325615 785244039 /nfs/dbraw/zinc/24/40/39/785244039.db2.gz BBLCUTUJJMXOPW-UHFFFAOYSA-N -1 0 342.323 2.120 20 5 EEBDRM Cc1cc([C@@](C)(O)CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c(C)o1 ZINC000844209923 788927380 /nfs/dbraw/zinc/92/73/80/788927380.db2.gz KVISMSGEKZGSEN-HNNXBMFYSA-N -1 0 335.316 2.217 20 5 EEBDRM CN(CC(F)F)C1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000844212233 788931288 /nfs/dbraw/zinc/93/12/88/788931288.db2.gz SLGDODXZWLQONR-UHFFFAOYSA-N -1 0 343.330 2.459 20 5 EEBDRM COc1cccc2nn(-c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c(N)c21 ZINC001174502470 797784294 /nfs/dbraw/zinc/78/42/94/797784294.db2.gz PSMFKQMZQNOEDM-UHFFFAOYSA-N -1 0 328.284 2.223 20 5 EEBDRM CCOC(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCC1 ZINC000791837474 809451874 /nfs/dbraw/zinc/45/18/74/809451874.db2.gz NQMNOUABWNGFSW-UHFFFAOYSA-N -1 0 336.344 2.154 20 5 EEBDRM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000804488897 810896701 /nfs/dbraw/zinc/89/67/01/810896701.db2.gz VUKZJSKXRXMBDH-MEDUHNTESA-N -1 0 330.340 2.461 20 5 EEBDRM Nc1c(Cl)cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC001601211639 970954934 /nfs/dbraw/zinc/95/49/34/970954934.db2.gz TYPPTTJPCWMFJB-VIFPVBQESA-N -1 0 341.751 2.300 20 5 EEBDRM O=C([O-])c1cccc(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)c1 ZINC001595248311 949519656 /nfs/dbraw/zinc/51/96/56/949519656.db2.gz MKWVWYIALPEUMC-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM CCOC(=O)Cc1ccc(N2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC001590706158 950981165 /nfs/dbraw/zinc/98/11/65/950981165.db2.gz NIEHQDBFABTQIP-UHFFFAOYSA-N -1 0 336.344 2.001 20 5 EEBDRM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001595013093 951275263 /nfs/dbraw/zinc/27/52/63/951275263.db2.gz UQQVLHMQVXVFHK-LLVKDONJSA-N -1 0 338.335 2.380 20 5 EEBDRM O=C([O-])CCCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001595044820 951437311 /nfs/dbraw/zinc/43/73/11/951437311.db2.gz QJBDRBGXZGMJMD-UHFFFAOYSA-N -1 0 332.259 2.181 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001589266192 953371408 /nfs/dbraw/zinc/37/14/08/953371408.db2.gz OMXFURBDLHJFQF-ZJUUUORDSA-N -1 0 342.298 2.256 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001594789105 953686029 /nfs/dbraw/zinc/68/60/29/953686029.db2.gz TZJWGGCRULEAQB-APPZFPTMSA-N -1 0 330.699 2.370 20 5 EEBDRM O=C([O-])C1(c2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)CCC1 ZINC001594885134 954456660 /nfs/dbraw/zinc/45/66/60/954456660.db2.gz GPNDKVVEQLNPLU-UHFFFAOYSA-N -1 0 337.263 2.202 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000843334415 955638536 /nfs/dbraw/zinc/63/85/36/955638536.db2.gz JFPWBSGBKURFSB-SCZZXKLOSA-N -1 0 326.736 2.431 20 5 EEBDRM O=C([O-])c1ncccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001594702756 956819379 /nfs/dbraw/zinc/81/93/79/956819379.db2.gz DQHGAXFHINAKSB-UHFFFAOYSA-N -1 0 333.325 2.419 20 5 EEBDRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001594719998 956967682 /nfs/dbraw/zinc/96/76/82/956967682.db2.gz ZEVFBWUDMBRWDN-NSHDSACASA-N -1 0 349.730 2.069 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)n1 ZINC001594329471 958204853 /nfs/dbraw/zinc/20/48/53/958204853.db2.gz CFKZBDYVDQDKCH-QGZVFWFLSA-N -1 0 343.339 2.071 20 5 EEBDRM Cc1ccc(NC(=O)C2(C(=O)[O-])CCSCC2)c(N)c1[N+](=O)[O-] ZINC001594369265 958529116 /nfs/dbraw/zinc/52/91/16/958529116.db2.gz DTNGKXBTYFQCRY-UHFFFAOYSA-N -1 0 339.373 2.022 20 5 EEBDRM COc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001594120853 958596820 /nfs/dbraw/zinc/59/68/20/958596820.db2.gz JZGTUPWPJGMBBK-CYBMUJFWSA-N -1 0 348.286 2.298 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159000162 959103437 /nfs/dbraw/zinc/10/34/37/959103437.db2.gz QRYSSBXSXAJAAZ-SECBINFHSA-N -1 0 343.133 2.047 20 5 EEBDRM CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)CC(=O)[O-] ZINC001351154385 962609784 /nfs/dbraw/zinc/60/97/84/962609784.db2.gz WCNKNSVANAPLNZ-UHFFFAOYSA-N -1 0 347.327 2.174 20 5 EEBDRM O=C([O-])[C@H]1CN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CCO1 ZINC001606048665 973156223 /nfs/dbraw/zinc/15/62/23/973156223.db2.gz APQGAIUVWDSEJF-LLVKDONJSA-N -1 0 337.719 2.086 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC001604541017 973512270 /nfs/dbraw/zinc/51/22/70/973512270.db2.gz BODQPYJKFNTZMY-AWEZNQCLSA-N -1 0 344.751 2.184 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001603575546 973722536 /nfs/dbraw/zinc/72/25/36/973722536.db2.gz UFUWHVGKHJNSNA-SNVBAGLBSA-N -1 0 332.316 2.224 20 5 EEBDRM CC[C@](COC)(NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001595199527 979942034 /nfs/dbraw/zinc/94/20/34/979942034.db2.gz JHFGFXXJVBXDME-MRXNPFEDSA-N -1 0 349.343 2.219 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001594822125 981973624 /nfs/dbraw/zinc/97/36/24/981973624.db2.gz RQBFIAQEWIZLAH-HNNXBMFYSA-N -1 0 341.339 2.173 20 5 EEBDRM CCCNC(=O)[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001595916064 983021572 /nfs/dbraw/zinc/02/15/72/983021572.db2.gz LBVHSPDLYDMQIC-LBPRGKRZSA-N -1 0 349.387 2.344 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@]1(C)C(=O)[O-] ZINC001599924145 985177267 /nfs/dbraw/zinc/17/72/67/985177267.db2.gz XZXZGGVSZSMBGJ-RTHLEPHNSA-N -1 0 326.736 2.431 20 5 EEBDRM C[C@H]1COCCN1CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001594608218 986590926 /nfs/dbraw/zinc/59/09/26/986590926.db2.gz UDABFPBCAMXNJF-VIFPVBQESA-N -1 0 343.767 2.079 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)[O-])n1C ZINC001597142736 986891699 /nfs/dbraw/zinc/89/16/99/986891699.db2.gz IRGIMIMUKGMYLZ-UHFFFAOYSA-N -1 0 333.300 2.283 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001597249167 987231709 /nfs/dbraw/zinc/23/17/09/987231709.db2.gz HHGLIRGXRFGYKT-WUGBYWSNSA-N -1 0 341.389 2.180 20 5 EEBDRM C[C@H](C(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1cccc([N+](=O)[O-])c1 ZINC001589542916 987256309 /nfs/dbraw/zinc/25/63/09/987256309.db2.gz ISUAAGHYNJOREW-VIFPVBQESA-N -1 0 347.279 2.416 20 5 EEBDRM CCc1[nH]c(C(=O)NCc2ccccc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC001597369260 987553280 /nfs/dbraw/zinc/55/32/80/987553280.db2.gz NDUQMUYHWWSWSZ-UHFFFAOYSA-N -1 0 331.328 2.422 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)[O-] ZINC001589718573 987876557 /nfs/dbraw/zinc/87/65/57/987876557.db2.gz UBUNAWAQGZZLGO-ZDUSSCGKSA-N -1 0 346.343 2.010 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@](C)(CCF)C(=O)[O-] ZINC001599822018 988531522 /nfs/dbraw/zinc/53/15/22/988531522.db2.gz BGEXTHIZSHBVGB-CYBMUJFWSA-N -1 0 330.337 2.249 20 5 EEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H](C(=O)[O-])c1ccccc1 ZINC001598079028 990391216 /nfs/dbraw/zinc/39/12/16/990391216.db2.gz QAGROXGUPINZNK-AWEZNQCLSA-N -1 0 329.312 2.075 20 5 EEBDRM CC(C)(CCc1nc(COc2cccc(C(=O)[O-])c2)no1)[N+](=O)[O-] ZINC001590701947 990420440 /nfs/dbraw/zinc/42/04/40/990420440.db2.gz VYWSNBSBBRGJSO-UHFFFAOYSA-N -1 0 335.316 2.335 20 5 EEBDRM CC(C)[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(=O)[O-] ZINC001591024498 991317222 /nfs/dbraw/zinc/31/72/22/991317222.db2.gz RSBBVLOBAZVBGQ-ZDUSSCGKSA-N -1 0 343.339 2.496 20 5 EEBDRM COc1ccnc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001599720926 991536895 /nfs/dbraw/zinc/53/68/95/991536895.db2.gz SXDWAQZFLRVHRW-MRXNPFEDSA-N -1 0 331.328 2.088 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC2(C(=O)[O-])CCCC2)s1 ZINC001599767389 992198847 /nfs/dbraw/zinc/19/88/47/992198847.db2.gz CKTRQTROLSNXJP-UHFFFAOYSA-N -1 0 348.402 2.117 20 5 EEBDRM C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593154821 993964414 /nfs/dbraw/zinc/96/44/14/993964414.db2.gz IVSURKAFYDPUAG-ZCFIWIBFSA-N -1 0 339.304 2.380 20 5 EEBDRM COc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2O)c1[N+](=O)[O-] ZINC001599642706 994381016 /nfs/dbraw/zinc/38/10/16/994381016.db2.gz MJOJGHBGAQIFCF-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM CNc1nccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1[N+](=O)[O-] ZINC001598681854 994940869 /nfs/dbraw/zinc/94/08/69/994940869.db2.gz NRTCPSBTZRHHQH-UHFFFAOYSA-N -1 0 334.263 2.121 20 5 EEBDRM COC(=O)C[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1C ZINC001598870163 996734003 /nfs/dbraw/zinc/73/40/03/996734003.db2.gz KVWAWYHWYIPSMD-GHMZBOCLSA-N -1 0 336.344 2.237 20 5 EEBDRM COc1cc(C(=O)OC2CC(CC(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001599385983 996944993 /nfs/dbraw/zinc/94/49/93/996944993.db2.gz GVPMJKWKQNKJLE-UHFFFAOYSA-N -1 0 327.264 2.153 20 5 EEBDRM COc1ccc(CC(=O)NCc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599548735 997969071 /nfs/dbraw/zinc/96/90/71/997969071.db2.gz OKOLCGWJJDUAAS-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM CC1=C(C)CN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001594109048 998189616 /nfs/dbraw/zinc/18/96/16/998189616.db2.gz COSXXJHAPOZBJK-LBPRGKRZSA-N -1 0 347.371 2.344 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCSCCC(=O)[O-] ZINC001598955425 998232027 /nfs/dbraw/zinc/23/20/27/998232027.db2.gz FVZAWHVEQMLDLO-UHFFFAOYSA-N -1 0 342.373 2.310 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)OCC2(C(=O)[O-])CC2)cc1SC ZINC001599462544 998300250 /nfs/dbraw/zinc/30/02/50/998300250.db2.gz YWSXCTNDWABIIN-UHFFFAOYSA-N -1 0 341.341 2.347 20 5 EEBDRM C[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594359512 999358980 /nfs/dbraw/zinc/35/89/80/999358980.db2.gz INRZHWZGFTYLSS-NXEZZACHSA-N -1 0 342.373 2.008 20 5 EEBDRM O=C(NC1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000126603711 222722244 /nfs/dbraw/zinc/72/22/44/222722244.db2.gz XRXJBGSWDDUFGL-UHFFFAOYSA-N -1 0 347.293 2.057 20 5 EEBDRM Cc1noc2ncc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc12 ZINC000072301072 216139817 /nfs/dbraw/zinc/13/98/17/216139817.db2.gz BMQIPTATQUWYDT-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM CN(CC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000263348561 245396472 /nfs/dbraw/zinc/39/64/72/245396472.db2.gz AEORKKNFPIYYAX-OLZOCXBDSA-N -1 0 349.387 2.181 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C\C2CCC2)cc([N+](=O)[O-])c1C ZINC000492104129 246301083 /nfs/dbraw/zinc/30/10/83/246301083.db2.gz RMBBLLYDYOIYTE-SREVYHEPSA-N -1 0 338.385 2.373 20 5 EEBDRM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1ccsc1 ZINC000492137846 246320800 /nfs/dbraw/zinc/32/08/00/246320800.db2.gz OYTUMQIOTRJLJO-WAYWQWQTSA-N -1 0 338.366 2.175 20 5 EEBDRM COC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000273420390 256294985 /nfs/dbraw/zinc/29/49/85/256294985.db2.gz XJTXHUHNGWAGAK-JTQLQIEISA-N -1 0 325.321 2.010 20 5 EEBDRM O=C([O-])c1csc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000173655518 152185230 /nfs/dbraw/zinc/18/52/30/152185230.db2.gz YTPQJUXFSRUJIW-UHFFFAOYSA-N -1 0 341.732 2.333 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1 ZINC000262533243 152288793 /nfs/dbraw/zinc/28/87/93/152288793.db2.gz PXECUYPMIVSTGE-QMMMGPOBSA-N -1 0 334.300 2.155 20 5 EEBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000262545914 152289894 /nfs/dbraw/zinc/28/98/94/152289894.db2.gz SAGASIUVVHNMTQ-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262978643 152351065 /nfs/dbraw/zinc/35/10/65/152351065.db2.gz BPNHIZLXPZFIBM-UHFFFAOYSA-N -1 0 337.332 2.322 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263001090 152355047 /nfs/dbraw/zinc/35/50/47/152355047.db2.gz GCYLGJSVMHMSQR-SNVBAGLBSA-N -1 0 337.332 2.322 20 5 EEBDRM O=C([O-])[C@H](CC(F)F)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000263017882 152357888 /nfs/dbraw/zinc/35/78/88/152357888.db2.gz NQSRZJZVSDDXRJ-VIFPVBQESA-N -1 0 336.678 2.015 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000263030118 152360422 /nfs/dbraw/zinc/36/04/22/152360422.db2.gz ONBUHYWOGNWPOW-OIBJUYFYSA-N -1 0 348.327 2.300 20 5 EEBDRM C[C@@H](CN(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263256693 152411925 /nfs/dbraw/zinc/41/19/25/152411925.db2.gz UFONZOUHGWGLSC-ZETCQYMHSA-N -1 0 332.715 2.109 20 5 EEBDRM COc1cc(O)cc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000355826891 153156267 /nfs/dbraw/zinc/15/62/67/153156267.db2.gz IHYOPMILUQBFJP-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000356024725 153250285 /nfs/dbraw/zinc/25/02/85/153250285.db2.gz OCCGIRGCFZWJIN-UHFFFAOYSA-N -1 0 339.311 2.267 20 5 EEBDRM O=C(NCc1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130402720 292373034 /nfs/dbraw/zinc/37/30/34/292373034.db2.gz CRVQHJRYOMYRGS-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM CC(=O)Nc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000130407352 292373232 /nfs/dbraw/zinc/37/32/32/292373232.db2.gz YMDJVNHYHPZBBJ-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1csc(-c2cnccn2)n1 ZINC000092546063 159222195 /nfs/dbraw/zinc/22/21/95/159222195.db2.gz XNHSHKHHMDRGSP-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000237326504 160221329 /nfs/dbraw/zinc/22/13/29/160221329.db2.gz VVEWADUBBMLCII-QMMMGPOBSA-N -1 0 335.341 2.169 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000238133999 160228671 /nfs/dbraw/zinc/22/86/71/160228671.db2.gz FEMBYPCXEUKDDQ-OAHLLOKOSA-N -1 0 328.324 2.470 20 5 EEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000342428836 161064754 /nfs/dbraw/zinc/06/47/54/161064754.db2.gz HKEYSYYATJJIJK-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cc(C)ccc2O)ccc1[N+](=O)[O-] ZINC000345680188 161322325 /nfs/dbraw/zinc/32/23/25/161322325.db2.gz YHLBBBOBBXCYSA-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(c2cccs2)CC1 ZINC000272704507 269011211 /nfs/dbraw/zinc/01/12/11/269011211.db2.gz VPKIBALXUSLDOK-UHFFFAOYSA-N -1 0 333.369 2.324 20 5 EEBDRM COC(=O)[C@@H]1CC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000285767451 274789036 /nfs/dbraw/zinc/78/90/36/274789036.db2.gz JDLBZEIQDPMSBA-HTQZYQBOSA-N -1 0 328.708 2.092 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291310671 275292843 /nfs/dbraw/zinc/29/28/43/275292843.db2.gz TUMZCYYBPRNAML-GOSISDBHSA-N -1 0 342.351 2.077 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(CN2CCCC2)on1 ZINC000292091833 275374817 /nfs/dbraw/zinc/37/48/17/275374817.db2.gz IRPWZLVNZYOMJK-UHFFFAOYSA-N -1 0 332.316 2.137 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2C[C@H](C(=O)[O-])C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000263138927 279603424 /nfs/dbraw/zinc/60/34/24/279603424.db2.gz GMQQEEFVFUGUAO-WCQYABFASA-N -1 0 349.387 2.280 20 5 EEBDRM CN1C(=O)Cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])ccc21 ZINC000194702926 289842568 /nfs/dbraw/zinc/84/25/68/289842568.db2.gz AXKOEEOWLRLQJL-UHFFFAOYSA-N -1 0 327.296 2.072 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCOc2c(F)cccc2C1 ZINC000369298930 304533866 /nfs/dbraw/zinc/53/38/66/304533866.db2.gz POJFZTAGTOUFHP-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000365470351 302993366 /nfs/dbraw/zinc/99/33/66/302993366.db2.gz ZSTHWVCBONFCEP-GFCCVEGCSA-N -1 0 330.344 2.054 20 5 EEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000326711624 311604457 /nfs/dbraw/zinc/60/44/57/311604457.db2.gz CLNQDSRAJOCNHJ-JXMNSVBMSA-N -1 0 340.335 2.420 20 5 EEBDRM Cc1c(CC(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000332044340 311940746 /nfs/dbraw/zinc/94/07/46/311940746.db2.gz LJORHIDELVUZOY-ZDUSSCGKSA-N -1 0 345.359 2.023 20 5 EEBDRM COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cn1 ZINC000350643033 312335572 /nfs/dbraw/zinc/33/55/72/312335572.db2.gz ALAOPLIYGOCFIB-UHFFFAOYSA-N -1 0 328.284 2.345 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000416445682 313225625 /nfs/dbraw/zinc/22/56/25/313225625.db2.gz MKEFZZSHRRZXHA-KBPBESRZSA-N -1 0 335.360 2.025 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000416567279 313260599 /nfs/dbraw/zinc/26/05/99/313260599.db2.gz XQFKKZLSQZPUIX-MRVPVSSYSA-N -1 0 344.780 2.021 20 5 EEBDRM C[C@@H](O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000421806889 314168898 /nfs/dbraw/zinc/16/88/98/314168898.db2.gz MZZLZARKSJAZMN-NKWVEPMBSA-N -1 0 348.258 2.013 20 5 EEBDRM O=C(N[C@H](CO)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000436700756 314989017 /nfs/dbraw/zinc/98/90/17/314989017.db2.gz XGNUAFLUWFMECC-LLVKDONJSA-N -1 0 338.266 2.042 20 5 EEBDRM C[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000514677775 316411213 /nfs/dbraw/zinc/41/12/13/316411213.db2.gz ZJHFXVHIJCXSTG-MWLCHTKSSA-N -1 0 342.373 2.008 20 5 EEBDRM O=C([O-])c1ccnc(N2CC[C@@H](O)[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000516184912 316542149 /nfs/dbraw/zinc/54/21/49/316542149.db2.gz JZTRIEHJLDLQTN-QWHCGFSZSA-N -1 0 335.360 2.065 20 5 EEBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000537403646 318017353 /nfs/dbraw/zinc/01/73/53/318017353.db2.gz SGMFWFRDNUCBTN-HZMBPMFUSA-N -1 0 331.328 2.125 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000537769989 318026769 /nfs/dbraw/zinc/02/67/69/318026769.db2.gz HJGHSZVGLJBJMO-NSHDSACASA-N -1 0 341.323 2.292 20 5 EEBDRM O=C(Nc1nncn1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000541862009 318112954 /nfs/dbraw/zinc/11/29/54/318112954.db2.gz ALSGCJQCMMWMAJ-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM Cn1cc([C@@H]2N(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000563891299 319053365 /nfs/dbraw/zinc/05/33/65/319053365.db2.gz DDBYFUJQLGDRLD-AWEZNQCLSA-N -1 0 330.344 2.257 20 5 EEBDRM CCOC(=O)CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000565014965 319138486 /nfs/dbraw/zinc/13/84/86/319138486.db2.gz INONWDHBUNTKKV-UHFFFAOYSA-N -1 0 342.735 2.122 20 5 EEBDRM O=C([O-])c1cc(N2CCOC3(CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000567984497 319441211 /nfs/dbraw/zinc/44/12/11/319441211.db2.gz PNYXSEQMKKMONE-UHFFFAOYSA-N -1 0 336.344 2.069 20 5 EEBDRM Cc1cc(NC[C@@H](CO)c2cccnc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568517475 319496235 /nfs/dbraw/zinc/49/62/35/319496235.db2.gz NNRUUPXGNCDAKA-LBPRGKRZSA-N -1 0 331.328 2.184 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000570282792 319652352 /nfs/dbraw/zinc/65/23/52/319652352.db2.gz DZSLURWXMVWYGY-ZDUSSCGKSA-N -1 0 336.344 2.067 20 5 EEBDRM O=C([O-])c1ccnc(NCc2cnn(CC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000570517889 319673162 /nfs/dbraw/zinc/67/31/62/319673162.db2.gz QSDDRZWSXNYYFO-UHFFFAOYSA-N -1 0 345.237 2.059 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000573330999 319924559 /nfs/dbraw/zinc/92/45/59/319924559.db2.gz IGOVCABMEFEDSQ-AWEZNQCLSA-N -1 0 338.360 2.058 20 5 EEBDRM CC1(NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CCCCC1 ZINC000573560702 319945775 /nfs/dbraw/zinc/94/57/75/319945775.db2.gz AHSDEMZVVYMMRH-UHFFFAOYSA-N -1 0 342.373 2.294 20 5 EEBDRM CCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576997147 320222939 /nfs/dbraw/zinc/22/29/39/320222939.db2.gz PQIFWCFFSVAAQH-UHFFFAOYSA-N -1 0 342.373 2.246 20 5 EEBDRM C[C@@H]1COCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000577399799 320253927 /nfs/dbraw/zinc/25/39/27/320253927.db2.gz LUSKWPAEBVGTBQ-RKDXNWHRSA-N -1 0 328.752 2.356 20 5 EEBDRM C[C@H](CCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000390973386 323546249 /nfs/dbraw/zinc/54/62/49/323546249.db2.gz PSMGFNSBAFBXAP-MNOVXSKESA-N -1 0 344.389 2.153 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H](OCc3ccncc3)C2)c1 ZINC000579599127 323890698 /nfs/dbraw/zinc/89/06/98/323890698.db2.gz YEZOLMBNZDGHKZ-AWEZNQCLSA-N -1 0 343.339 2.484 20 5 EEBDRM O=C([O-])c1ccnc(N2CCN(c3cccs3)CC2)c1[N+](=O)[O-] ZINC000580957245 324158533 /nfs/dbraw/zinc/15/85/33/324158533.db2.gz OQJPJQLUYSGUMH-UHFFFAOYSA-N -1 0 334.357 2.076 20 5 EEBDRM C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000584031527 324780469 /nfs/dbraw/zinc/78/04/69/324780469.db2.gz UFZGSRNIUMAACX-SMDDNHRTSA-N -1 0 335.360 2.032 20 5 EEBDRM O=C(NCc1nc2cc(F)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184835080 465028405 /nfs/dbraw/zinc/02/84/05/465028405.db2.gz UISIKOZGYJMGDX-UHFFFAOYSA-N -1 0 330.275 2.246 20 5 EEBDRM O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000327977262 465055632 /nfs/dbraw/zinc/05/56/32/465055632.db2.gz PCLQSEQVSLAOII-ZBTGYSDGSA-N -1 0 340.335 2.420 20 5 EEBDRM CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@H](CC)C1 ZINC000339352876 465220017 /nfs/dbraw/zinc/22/00/17/465220017.db2.gz QXCFUZNRNGPVHS-TZMCWYRMSA-N -1 0 337.376 2.128 20 5 EEBDRM O=C(NCC1CCN(CC(F)F)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000552122095 468309496 /nfs/dbraw/zinc/30/94/96/468309496.db2.gz ILTCOMYZWMTQHK-UHFFFAOYSA-N -1 0 343.330 2.007 20 5 EEBDRM Cc1ccc(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000048445314 462911292 /nfs/dbraw/zinc/91/12/92/462911292.db2.gz MKUWUXSVNOPSNJ-UHFFFAOYSA-N -1 0 328.371 2.149 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000093929390 463053894 /nfs/dbraw/zinc/05/38/94/463053894.db2.gz UUSNKMLDJMJVQV-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM Cc1ccc(NCCCNC(=O)[C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000522006724 468348350 /nfs/dbraw/zinc/34/83/50/468348350.db2.gz UPHWXBHQUILQRA-AWEZNQCLSA-N -1 0 337.376 2.178 20 5 EEBDRM O=C(Nc1ccc(-n2cccn2)nc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000184948126 463724031 /nfs/dbraw/zinc/72/40/31/463724031.db2.gz SZUNKGHXXNGLHO-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261914487 463899446 /nfs/dbraw/zinc/89/94/46/463899446.db2.gz QQRJXOYXPYAYFX-KYOSRNDESA-N -1 0 332.356 2.382 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc(C3CC3)o2)cc1C ZINC000194726209 463917398 /nfs/dbraw/zinc/91/73/98/463917398.db2.gz HMHWRQPEYRJRNW-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262194785 463970208 /nfs/dbraw/zinc/97/02/08/463970208.db2.gz ZGLNUINSYJPAFN-LBPRGKRZSA-N -1 0 347.352 2.408 20 5 EEBDRM CCC[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000262198448 463970374 /nfs/dbraw/zinc/97/03/74/463970374.db2.gz KFQWYVITVNVQDB-LLVKDONJSA-N -1 0 346.343 2.011 20 5 EEBDRM CSC1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000278957432 464015918 /nfs/dbraw/zinc/01/59/18/464015918.db2.gz ZZPUMFDBMYGAGZ-UHFFFAOYSA-N -1 0 334.394 2.298 20 5 EEBDRM CCCC[C@H](NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000262411896 464021402 /nfs/dbraw/zinc/02/14/02/464021402.db2.gz SNNDNAYQCARTIN-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM C/C=C/C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263315141 464082947 /nfs/dbraw/zinc/08/29/47/464082947.db2.gz YULWADCJDHBZIR-YWVDXFKGSA-N -1 0 347.371 2.344 20 5 EEBDRM Cn1nc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC000187010175 464090329 /nfs/dbraw/zinc/09/03/29/464090329.db2.gz MZPJXZHNHPQTRJ-UHFFFAOYSA-N -1 0 340.339 2.160 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000263478443 464112853 /nfs/dbraw/zinc/11/28/53/464112853.db2.gz UBOQRMFUZSVMFN-GUBZILKMSA-N -1 0 326.374 2.301 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000263518844 464121325 /nfs/dbraw/zinc/12/13/25/464121325.db2.gz GCLUROHUDRZDQZ-LLVKDONJSA-N -1 0 338.360 2.470 20 5 EEBDRM CCc1nc(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cs1 ZINC000237044123 464256309 /nfs/dbraw/zinc/25/63/09/464256309.db2.gz IAWZKTQTCQZSRN-UHFFFAOYSA-N -1 0 349.368 2.284 20 5 EEBDRM CCC(CC)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1=O ZINC000180776595 464392827 /nfs/dbraw/zinc/39/28/27/464392827.db2.gz ZAOFHUHXUJUVFX-JTQLQIEISA-N -1 0 335.360 2.276 20 5 EEBDRM CCOCCO[C@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272128064 464488771 /nfs/dbraw/zinc/48/87/71/464488771.db2.gz RRJSLDADJGKHFL-MRVPVSSYSA-N -1 0 332.740 2.334 20 5 EEBDRM Cc1noc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000286604352 464974342 /nfs/dbraw/zinc/97/43/42/464974342.db2.gz ZXRDBCMPAZGLEP-GFCCVEGCSA-N -1 0 332.316 2.359 20 5 EEBDRM Cn1ccnc1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1(C)C ZINC000295867742 464990871 /nfs/dbraw/zinc/99/08/71/464990871.db2.gz LDLSIDXHNRGFJJ-CYBMUJFWSA-N -1 0 330.344 2.257 20 5 EEBDRM CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184734861 465022873 /nfs/dbraw/zinc/02/28/73/465022873.db2.gz CHXFLCFSWCZTAP-LBPRGKRZSA-N -1 0 349.387 2.069 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593920825 468434590 /nfs/dbraw/zinc/43/45/90/468434590.db2.gz OKYGZZIFRNAXCN-UHFFFAOYSA-N -1 0 349.387 2.134 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1 ZINC000356803381 465550550 /nfs/dbraw/zinc/55/05/50/465550550.db2.gz MDAMAMRJHMOGHX-BDJLRTHQSA-N -1 0 330.340 2.022 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3cc(F)ccc32)ccc1[O-] ZINC000337878298 465650256 /nfs/dbraw/zinc/65/02/56/465650256.db2.gz WEZYSVLNMSQMLZ-UHFFFAOYSA-N -1 0 338.316 2.191 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H](CC)CN1C(C)=O ZINC000331000249 465891829 /nfs/dbraw/zinc/89/18/29/465891829.db2.gz JSBVDENDSFGTKX-ZIAGYGMSSA-N -1 0 349.387 2.162 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H]2CCOC3(CCC3)C2)cc([N+](=O)[O-])c1 ZINC000597158800 468463171 /nfs/dbraw/zinc/46/31/71/468463171.db2.gz GARNLGNALIITED-LBPRGKRZSA-N -1 0 334.328 2.125 20 5 EEBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000350314364 466458182 /nfs/dbraw/zinc/45/81/82/466458182.db2.gz LRDFXQSKAVWHDO-UHFFFAOYSA-N -1 0 329.721 2.150 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)s[n-]1 ZINC000338927492 466491410 /nfs/dbraw/zinc/49/14/10/466491410.db2.gz XFLCGXPFVHWTPC-ZETCQYMHSA-N -1 0 347.356 2.309 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000332292450 466493669 /nfs/dbraw/zinc/49/36/69/466493669.db2.gz JMKQNVWIVHPKKB-ABAIWWIYSA-N -1 0 330.344 2.220 20 5 EEBDRM CC1(C)CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[S@]1=O ZINC000321688638 466624568 /nfs/dbraw/zinc/62/45/68/466624568.db2.gz TYUKTNVTHJCUQQ-JOCHJYFZSA-N -1 0 326.374 2.030 20 5 EEBDRM COc1ccc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1OC ZINC000427915313 467186102 /nfs/dbraw/zinc/18/61/02/467186102.db2.gz PFAOBZZXFYTDOB-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000451096443 467246676 /nfs/dbraw/zinc/24/66/76/467246676.db2.gz OJLUGDDUBIRCMJ-LBPRGKRZSA-N -1 0 343.405 2.336 20 5 EEBDRM O=C(NCCOc1cncc(Cl)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436796639 467554568 /nfs/dbraw/zinc/55/45/68/467554568.db2.gz KDKGQKLWESFLNM-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCCCC(=O)[O-])c1 ZINC000457350021 467806901 /nfs/dbraw/zinc/80/69/01/467806901.db2.gz OYYDDCOXOBKFGW-UHFFFAOYSA-N -1 0 344.389 2.135 20 5 EEBDRM Cc1cc(N2CCN(c3ncc(C(=O)[O-])s3)CC2)ccc1[N+](=O)[O-] ZINC000582244068 468512958 /nfs/dbraw/zinc/51/29/58/468512958.db2.gz JJYWDFFLCFSVQF-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1noc(C(F)F)n1 ZINC000591784358 468521288 /nfs/dbraw/zinc/52/12/88/468521288.db2.gz RCBVCAXJOOVPJH-YFKPBYRVSA-N -1 0 328.231 2.112 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000594735635 468668171 /nfs/dbraw/zinc/66/81/71/468668171.db2.gz LXJCSTDNHIFINB-BXUZGUMPSA-N -1 0 335.360 2.474 20 5 EEBDRM CSC[C@@H](C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877127 468673766 /nfs/dbraw/zinc/67/37/66/468673766.db2.gz RTDXTTZJMHMKAS-OTYXRUKQSA-N -1 0 326.374 2.010 20 5 EEBDRM C[C@@H](Cc1ccco1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600881695 468674168 /nfs/dbraw/zinc/67/41/68/468674168.db2.gz OUGKGYNNRDZIKR-APPDUMDISA-N -1 0 346.339 2.483 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC([C@@H]2CCOC2)C1 ZINC000592796219 468788045 /nfs/dbraw/zinc/78/80/45/468788045.db2.gz WFLOXCMYSCIYLC-MRVPVSSYSA-N -1 0 326.736 2.062 20 5 EEBDRM O=C([O-])CCCOc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000571450790 468790581 /nfs/dbraw/zinc/79/05/81/468790581.db2.gz WRFFMLPMPIUROE-UHFFFAOYSA-N -1 0 331.328 2.846 20 5 EEBDRM COc1ccc(C(=O)N=c2nc(CC(C)C)[n-]s2)cc1[N+](=O)[O-] ZINC000598192701 468791341 /nfs/dbraw/zinc/79/13/41/468791341.db2.gz WTUABDWYTIDZPJ-UHFFFAOYSA-N -1 0 336.373 2.328 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000595252484 468793389 /nfs/dbraw/zinc/79/33/89/468793389.db2.gz ZWAABXCWIUOECB-BLLLJJGKSA-N -1 0 331.328 2.449 20 5 EEBDRM CCOc1ccc(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000595251564 468793594 /nfs/dbraw/zinc/79/35/94/468793594.db2.gz SLFXSGDSNCNSBR-CJNGLKHVSA-N -1 0 336.344 2.367 20 5 EEBDRM CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)[O-] ZINC000595282898 468799265 /nfs/dbraw/zinc/79/92/65/468799265.db2.gz RWCCKTVREJLCNN-VHSXEESVSA-N -1 0 326.374 2.397 20 5 EEBDRM CC(C)[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccnn1C ZINC000592978452 468832522 /nfs/dbraw/zinc/83/25/22/468832522.db2.gz GCCHDFIMUWURQI-LLVKDONJSA-N -1 0 333.348 2.273 20 5 EEBDRM CCc1nc2n(n1)C[C@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)CC2 ZINC000584413030 468867045 /nfs/dbraw/zinc/86/70/45/468867045.db2.gz SGUNCIIHYUNVMK-SNVBAGLBSA-N -1 0 345.359 2.182 20 5 EEBDRM CC(C)(C)C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000593696430 469098597 /nfs/dbraw/zinc/09/85/97/469098597.db2.gz HHROZLWWJCAFRJ-NSHDSACASA-N -1 0 334.332 2.090 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCOC[C@H]1CC(=O)[O-] ZINC000593747359 469122437 /nfs/dbraw/zinc/12/24/37/469122437.db2.gz XFMGACSJWRNGBF-CQSZACIVSA-N -1 0 338.360 2.058 20 5 EEBDRM CCOC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])o1 ZINC000612428368 469462031 /nfs/dbraw/zinc/46/20/31/469462031.db2.gz AFMCUABGUPWYPQ-UHFFFAOYSA-N -1 0 334.284 2.000 20 5 EEBDRM COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000613941442 469819435 /nfs/dbraw/zinc/81/94/35/469819435.db2.gz HOZRWRRSWJQUMN-UHFFFAOYSA-N -1 0 342.307 2.243 20 5 EEBDRM Cc1ccc(S(=O)(=O)NC(C)(C)CCC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598586810 485619879 /nfs/dbraw/zinc/61/98/79/485619879.db2.gz DPNZXSLBAWMBIO-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1ccc2nc(CNc3nccc(C(=O)[O-])c3[N+](=O)[O-])cn2c1 ZINC000738299256 578008499 /nfs/dbraw/zinc/00/84/99/578008499.db2.gz QMVDSZNNOBEMPO-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c(C(=O)[O-])[nH]1 ZINC000738420577 578013905 /nfs/dbraw/zinc/01/39/05/578013905.db2.gz BQEHUNFZAIMUAT-UHFFFAOYSA-N -1 0 332.316 2.370 20 5 EEBDRM CC(C)(C(=O)[N-]OC1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000772711681 577291432 /nfs/dbraw/zinc/29/14/32/577291432.db2.gz QZGXMNGBGTWYCA-UHFFFAOYSA-N -1 0 326.324 2.238 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCC(C)(F)F)ccc1[N+](=O)[O-] ZINC000734738147 577323738 /nfs/dbraw/zinc/32/37/38/577323738.db2.gz YZTDGTRDRXWOMZ-UHFFFAOYSA-N -1 0 336.316 2.144 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCCC(=O)[O-] ZINC000773227004 577324917 /nfs/dbraw/zinc/32/49/17/577324917.db2.gz NMIPNFXCTJNRBA-SECBINFHSA-N -1 0 344.751 2.387 20 5 EEBDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000775094782 577429614 /nfs/dbraw/zinc/42/96/14/577429614.db2.gz SJWSNAFDYSOJLL-UHFFFAOYSA-N -1 0 332.363 2.138 20 5 EEBDRM O=C([O-])c1cccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000776209472 577454666 /nfs/dbraw/zinc/45/46/66/577454666.db2.gz VNAXNHCMPOOZPE-UHFFFAOYSA-N -1 0 348.286 2.127 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000776513109 577461249 /nfs/dbraw/zinc/46/12/49/577461249.db2.gz RRJNEVUHKPAASO-BDAKNGLRSA-N -1 0 346.792 2.489 20 5 EEBDRM C[C@H](CCCCC(=O)[O-])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000776561730 577462336 /nfs/dbraw/zinc/46/23/36/577462336.db2.gz RFFDKRAPGGNCAF-SECBINFHSA-N -1 0 348.352 2.046 20 5 EEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000768866076 577564527 /nfs/dbraw/zinc/56/45/27/577564527.db2.gz HZQFCISYKGJOFI-UHFFFAOYSA-N -1 0 348.383 2.305 20 5 EEBDRM COc1nc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cc(=O)[n-]1 ZINC000770517355 577597966 /nfs/dbraw/zinc/59/79/66/577597966.db2.gz YXABJGJFBBYZHV-UHFFFAOYSA-N -1 0 339.691 2.109 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc([N+](=O)[O-])c1 ZINC000738670156 578023331 /nfs/dbraw/zinc/02/33/31/578023331.db2.gz UGRIWYBZZQHSOX-AWEZNQCLSA-N -1 0 344.327 2.384 20 5 EEBDRM O=C([O-])N1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000739385082 578051359 /nfs/dbraw/zinc/05/13/59/578051359.db2.gz BZDLROVDMCYIST-JTQLQIEISA-N -1 0 333.300 2.213 20 5 EEBDRM O=C([O-])c1sccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000739486593 578055198 /nfs/dbraw/zinc/05/51/98/578055198.db2.gz AJVYOTZETZMSJI-UHFFFAOYSA-N -1 0 336.281 2.336 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000739554974 578058225 /nfs/dbraw/zinc/05/82/25/578058225.db2.gz CSEOHUFNDSWLOA-NEPJUHHUSA-N -1 0 332.268 2.014 20 5 EEBDRM CC(C)c1noc(CCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000736537379 578210106 /nfs/dbraw/zinc/21/01/06/578210106.db2.gz GSJSJHFYIWVUTC-UHFFFAOYSA-N -1 0 348.315 2.371 20 5 EEBDRM CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ncc(C(=O)[O-])s1 ZINC000737059767 578235640 /nfs/dbraw/zinc/23/56/40/578235640.db2.gz HLGAMEPSMKMEEW-UHFFFAOYSA-N -1 0 335.341 2.345 20 5 EEBDRM CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737324735 578250520 /nfs/dbraw/zinc/25/05/20/578250520.db2.gz CJJLOGQJWSMQTA-INIZCTEOSA-N -1 0 328.324 2.422 20 5 EEBDRM CNC(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737546361 578263415 /nfs/dbraw/zinc/26/34/15/578263415.db2.gz KIWZPKUNDBDCEO-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM CNc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1[N+](=O)[O-] ZINC000737560831 578264171 /nfs/dbraw/zinc/26/41/71/578264171.db2.gz BLKVLOWCNQJKPW-UHFFFAOYSA-N -1 0 341.323 2.491 20 5 EEBDRM C[C@H](CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1)C(=O)[O-] ZINC000262198474 599929676 /nfs/dbraw/zinc/92/96/76/599929676.db2.gz OIGZBSWDHICOIQ-SECBINFHSA-N -1 0 331.328 2.401 20 5 EEBDRM CC[C@@]1(C)CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829043908 600825732 /nfs/dbraw/zinc/82/57/32/600825732.db2.gz HYNTXQZGTGYPQB-KRWDZBQOSA-N -1 0 349.387 2.426 20 5 EEBDRM CSc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1[N+](=O)[O-] ZINC000832774455 600905955 /nfs/dbraw/zinc/90/59/55/600905955.db2.gz LPJMTRBLAXWOAL-ZDUSSCGKSA-N -1 0 347.352 2.267 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1 ZINC000833126685 600976138 /nfs/dbraw/zinc/97/61/38/600976138.db2.gz OUARTQPOOIQZOL-GFCCVEGCSA-N -1 0 335.703 2.199 20 5 EEBDRM C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)[O-] ZINC000820182944 601356148 /nfs/dbraw/zinc/35/61/48/601356148.db2.gz PBJDNDYXPDPBTA-SCSAIBSYSA-N -1 0 336.069 2.126 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000829834703 601480005 /nfs/dbraw/zinc/48/00/05/601480005.db2.gz PNIKXLPNIRHEPT-AWEZNQCLSA-N -1 0 344.389 2.079 20 5 EEBDRM Cc1cc(C2=N/C(=C/c3c[nH]c(C(=O)[O-])c3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000832881224 601789544 /nfs/dbraw/zinc/78/95/44/601789544.db2.gz LZINXQYTCZSQOX-WUXMJOGZSA-N -1 0 341.279 2.274 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(C(=O)[O-])c1 ZINC000832097491 601804128 /nfs/dbraw/zinc/80/41/28/601804128.db2.gz BXLVTAYYGBEHFL-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832476535 601821598 /nfs/dbraw/zinc/82/15/98/601821598.db2.gz PQFUBNDSOCDFTL-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000831354297 604269153 /nfs/dbraw/zinc/26/91/53/604269153.db2.gz XZOHAXWYEXKOKI-QMMMGPOBSA-N -1 0 342.735 2.336 20 5 EEBDRM COCCC1(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000831684713 604782422 /nfs/dbraw/zinc/78/24/22/604782422.db2.gz QAEZEJHBFZKQEJ-UHFFFAOYSA-N -1 0 339.304 2.430 20 5 EEBDRM C/C(=C/C(=O)NCCSCCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833381327 605345981 /nfs/dbraw/zinc/34/59/81/605345981.db2.gz FTKAFSSWGNJAGC-KHPPLWFESA-N -1 0 338.385 2.322 20 5 EEBDRM Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826250371 608166323 /nfs/dbraw/zinc/16/63/23/608166323.db2.gz XQXHVWMKDMRTPQ-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM CC(C)n1cccc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000179601515 679957362 /nfs/dbraw/zinc/95/73/62/679957362.db2.gz HHCXJNXVYVFLNL-UHFFFAOYSA-N -1 0 337.357 2.096 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cncc(Cl)n2)c(Cl)c1 ZINC000185922459 685372441 /nfs/dbraw/zinc/37/24/41/685372441.db2.gz GWQCNMOZHVJOBQ-UHFFFAOYSA-N -1 0 349.155 2.492 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(C)s1 ZINC000443450801 683754150 /nfs/dbraw/zinc/75/41/50/683754150.db2.gz GDABLHIZGIXQLL-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM CC(C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)=C1CCCC1 ZINC000162656848 684808605 /nfs/dbraw/zinc/80/86/05/684808605.db2.gz WTBDUZWCZQARGW-UHFFFAOYSA-N -1 0 342.348 2.429 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263136925 689321941 /nfs/dbraw/zinc/32/19/41/689321941.db2.gz ILQLIJRFHYJDDN-GFCCVEGCSA-N -1 0 335.360 2.034 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000263144241 689336381 /nfs/dbraw/zinc/33/63/81/689336381.db2.gz GYTFBNVRGBWWTG-YUMQZZPRSA-N -1 0 344.165 2.299 20 5 EEBDRM Cc1cccc(C(=O)NC/C=C/CNc2cc[nH]c(=O)c2[N+](=O)[O-])c1 ZINC001107019991 1192678378 /nfs/dbraw/zinc/67/83/78/1192678378.db2.gz ZVWWXFQJYYXTFD-NSCUHMNNSA-N -1 0 342.355 2.402 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc(C(F)(F)F)c[nH]2)cs1 ZINC000811832048 1200341139 /nfs/dbraw/zinc/34/11/39/1200341139.db2.gz KHAUPOJCEWYKRJ-UHFFFAOYSA-N -1 0 342.280 2.199 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-n2ccnc2)nc1 ZINC000089531681 1212002941 /nfs/dbraw/zinc/00/29/41/1212002941.db2.gz XIOVXSPDWWIFPB-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000800383539 1234092491 /nfs/dbraw/zinc/09/24/91/1234092491.db2.gz UWBYWFZCPWCGKT-SNVBAGLBSA-N -1 0 344.389 2.235 20 5 EEBDRM C[C@@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886070 1277379695 /nfs/dbraw/zinc/37/96/95/1277379695.db2.gz ORIWSXFNTLHWDW-OTYXRUKQSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N-]OC1CCCCC1 ZINC000857717376 1293900894 /nfs/dbraw/zinc/90/08/94/1293900894.db2.gz VNJZKIKRJJGHGI-UHFFFAOYSA-N -1 0 336.348 2.097 20 5 EEBDRM CC(C)(C)OC(=O)N1C[C@@H](Oc2cc([O-])ccc2[N+](=O)[O-])CC1=O ZINC001225491462 1301023066 /nfs/dbraw/zinc/02/30/66/1301023066.db2.gz OYOGHXSVEQKWHT-JTQLQIEISA-N -1 0 338.316 2.215 20 5 EEBDRM O=C1C[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC001225620130 1301096203 /nfs/dbraw/zinc/09/62/03/1301096203.db2.gz NFJYCLNXZDQJND-CQSZACIVSA-N -1 0 342.307 2.007 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CC[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001226021147 1301235620 /nfs/dbraw/zinc/23/56/20/1301235620.db2.gz OBIZFSVNSDTVNA-OPRDCNLKSA-N -1 0 339.348 2.471 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(OCC[C@H]2COC(C)(C)O2)cc1[O-] ZINC001228809547 1302459807 /nfs/dbraw/zinc/45/98/07/1302459807.db2.gz GQZLWBYMXYYQDP-VIFPVBQESA-N -1 0 341.316 2.007 20 5 EEBDRM CCCSc1nc(OC2CN(C(C)C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229797386 1302948626 /nfs/dbraw/zinc/94/86/26/1302948626.db2.gz ZYHGMLTWAIHFNW-UHFFFAOYSA-N -1 0 328.394 2.064 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000780740124 1303695413 /nfs/dbraw/zinc/69/54/13/1303695413.db2.gz WBXQAXFEBWNASL-KRWDZBQOSA-N -1 0 346.314 2.173 20 5 EEBDRM COC(=O)/C=C\c1ccc(OC)c(OC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000797171431 1304662594 /nfs/dbraw/zinc/66/25/94/1304662594.db2.gz SNSATTPTHXZUQO-YWEYNIOJSA-N -1 0 346.295 2.337 20 5 EEBDRM COc1cncc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000799119347 1305159740 /nfs/dbraw/zinc/15/97/40/1305159740.db2.gz ANJOTGWMUWJZSU-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM Cn1ncc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])c1C1CC1 ZINC001119071834 1308984715 /nfs/dbraw/zinc/98/47/15/1308984715.db2.gz QXNWFQJFJXLCHW-UHFFFAOYSA-N -1 0 328.375 2.068 20 5 EEBDRM CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000835026951 1314893782 /nfs/dbraw/zinc/89/37/82/1314893782.db2.gz ABPAZBDBVMHOBG-LLVKDONJSA-N -1 0 328.390 2.472 20 5 EEBDRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837483672 1315086404 /nfs/dbraw/zinc/08/64/04/1315086404.db2.gz VYFASWTVXOQXNY-SECBINFHSA-N -1 0 333.344 2.498 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C2CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000842403497 1315698421 /nfs/dbraw/zinc/69/84/21/1315698421.db2.gz DBMNXCPJPFCVFA-UHFFFAOYSA-N -1 0 340.401 2.285 20 5 EEBDRM Nc1ccc(S(=O)(=O)N(c2ccc([O-])c([N+](=O)[O-])c2)C2CC2)cc1 ZINC001210398084 1325265434 /nfs/dbraw/zinc/26/54/34/1325265434.db2.gz PGLIKCRSTODPDP-UHFFFAOYSA-N -1 0 349.368 2.240 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2C[C@H](CO)c3ccccc32)cc([N+](=O)[O-])c1 ZINC001602241996 1350474071 /nfs/dbraw/zinc/47/40/71/1350474071.db2.gz KOMSBYLPOMLKAZ-GFCCVEGCSA-N -1 0 342.307 2.029 20 5 EEBDRM Cc1cc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC001607700689 1351541941 /nfs/dbraw/zinc/54/19/41/1351541941.db2.gz HZZIMWCVDXCMJM-NSHDSACASA-N -1 0 342.323 2.037 20 5 EEBDRM NC(=O)c1cncc(Oc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001608247012 1351655531 /nfs/dbraw/zinc/65/55/31/1351655531.db2.gz OOEUJKFTMKFYFF-UHFFFAOYSA-N -1 0 337.675 2.233 20 5 EEBDRM O=C([O-])c1cc(OCCOc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC001608857527 1351780093 /nfs/dbraw/zinc/78/00/93/1351780093.db2.gz NDUKMNWZEDEYSD-UHFFFAOYSA-N -1 0 347.279 2.480 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCCO[C@H]1CCOC1 ZINC001608862620 1351780879 /nfs/dbraw/zinc/78/08/79/1351780879.db2.gz HHKYNJSCECCWTN-VIFPVBQESA-N -1 0 330.724 2.164 20 5 EEBDRM CN(C)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC001319249969 1332670990 /nfs/dbraw/zinc/67/09/90/1332670990.db2.gz LSGRLSXLGDPMHY-UHFFFAOYSA-N -1 0 329.356 2.339 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC001608914591 1351792887 /nfs/dbraw/zinc/79/28/87/1351792887.db2.gz ZCZNOQVWLBOSJM-GFCCVEGCSA-N -1 0 330.344 2.396 20 5 EEBDRM O=C([O-])c1cccc(OC[C@@H]2CC3(CO2)CCOCC3)c1[N+](=O)[O-] ZINC001608936788 1351798503 /nfs/dbraw/zinc/79/85/03/1351798503.db2.gz LIQBHPTUUWXTEV-NSHDSACASA-N -1 0 337.328 2.258 20 5 EEBDRM O=C([O-])c1ccnc(NCCOc2ncccc2Cl)c1[N+](=O)[O-] ZINC001608954037 1351802137 /nfs/dbraw/zinc/80/21/37/1351802137.db2.gz WHFZGNYYSSRMMD-UHFFFAOYSA-N -1 0 338.707 2.227 20 5 EEBDRM Cc1ccn2ncnc2c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC001324631810 1333726745 /nfs/dbraw/zinc/72/67/45/1333726745.db2.gz ZHJOSWUHNCLZGN-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(C)(C)CC(=O)[O-] ZINC001328494279 1334467871 /nfs/dbraw/zinc/46/78/71/1334467871.db2.gz MVSABZWIUBQRIO-UHFFFAOYSA-N -1 0 333.344 2.261 20 5 EEBDRM CC[C@@](CNc1c([N+](=O)[O-])c(C)nn1C)(C(=O)[O-])c1ccccc1 ZINC001609921849 1352120189 /nfs/dbraw/zinc/12/01/89/1352120189.db2.gz ZWPZWUCOBCEVBT-INIZCTEOSA-N -1 0 332.360 2.481 20 5 EEBDRM Cc1c(NCC(=O)NC2CCCCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610426993 1352220888 /nfs/dbraw/zinc/22/08/88/1352220888.db2.gz RLNSLWSMIRLVNX-UHFFFAOYSA-N -1 0 335.360 2.462 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](C)c2cnn(C)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610426804 1352221037 /nfs/dbraw/zinc/22/10/37/1352221037.db2.gz XPPXQXPTRQEREZ-VIFPVBQESA-N -1 0 347.331 2.218 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001610418248 1352219545 /nfs/dbraw/zinc/21/95/45/1352219545.db2.gz PUQDARLPXNZFOR-QMMMGPOBSA-N -1 0 341.291 2.268 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)c2nocc2C(=O)[O-])c1 ZINC001610515221 1352236669 /nfs/dbraw/zinc/23/66/69/1352236669.db2.gz ZAISKQBLDRJDLE-UHFFFAOYSA-N -1 0 333.300 2.255 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC001610563601 1352245799 /nfs/dbraw/zinc/24/57/99/1352245799.db2.gz OKDLHAMOLMLJLO-UHFFFAOYSA-N -1 0 334.259 2.493 20 5 EEBDRM O=C([O-])[C@H]1CCc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2C1 ZINC001610712705 1352263544 /nfs/dbraw/zinc/26/35/44/1352263544.db2.gz MFXMQNKSGSEAPG-VIFPVBQESA-N -1 0 347.352 2.493 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001610773554 1352272374 /nfs/dbraw/zinc/27/23/74/1352272374.db2.gz BCLUUVBRYZIDGS-UHFFFAOYSA-N -1 0 346.299 2.379 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2ccc(Cl)nc2Cl)c1=O ZINC001610817470 1352279933 /nfs/dbraw/zinc/27/99/33/1352279933.db2.gz PCXSOSPJJYPNAF-UHFFFAOYSA-N -1 0 344.110 2.205 20 5 EEBDRM O=C([O-])c1ccnc(NCc2ccccc2-n2ccnc2)c1[N+](=O)[O-] ZINC001610854454 1352286052 /nfs/dbraw/zinc/28/60/52/1352286052.db2.gz GGVABNZUEPDDDJ-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])c1n[nH]c2c1CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC001610870501 1352288486 /nfs/dbraw/zinc/28/84/86/1352288486.db2.gz BNMDLRDCNJWDSG-UHFFFAOYSA-N -1 0 336.735 2.228 20 5 EEBDRM CC(=Cc1cccc([N+](=O)[O-])c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[nH]1 ZINC001588770466 1348933485 /nfs/dbraw/zinc/93/34/85/1348933485.db2.gz MQDCOLJPPGEPHQ-SOFGYWHQSA-N -1 0 339.315 2.139 20 5 EEBDRM Cc1c(CC(=O)NCc2ccccc2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC001600011912 1349955053 /nfs/dbraw/zinc/95/50/53/1349955053.db2.gz UNPSKYXIDAMWEW-UHFFFAOYSA-N -1 0 342.351 2.389 20 5 EEBDRM Cc1c(CNC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001600012406 1349955153 /nfs/dbraw/zinc/95/51/53/1349955153.db2.gz ZLMOFRYBFRSPNO-QFYYESIMSA-N -1 0 335.360 2.155 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2c(C)cc(C)[nH]c2=O)n1 ZINC001600105750 1349972148 /nfs/dbraw/zinc/97/21/48/1349972148.db2.gz KZICCJCNRBNHTL-UHFFFAOYSA-N -1 0 332.316 2.326 20 5 EEBDRM Cc1cc(N2CC3CC2(C(=O)[O-])C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001600237860 1349999203 /nfs/dbraw/zinc/99/92/03/1349999203.db2.gz AYPYXZVWIZBXTI-UHFFFAOYSA-N -1 0 340.339 2.414 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)n1 ZINC001600304024 1350015813 /nfs/dbraw/zinc/01/58/13/1350015813.db2.gz LERUHTFZOMBWTA-AWEZNQCLSA-N -1 0 329.312 2.196 20 5 EEBDRM Cc1ccc(O[C@H]2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)nc1 ZINC001600469660 1350059169 /nfs/dbraw/zinc/05/91/69/1350059169.db2.gz VFZDVJGVHOUIFI-LBPRGKRZSA-N -1 0 344.327 2.049 20 5 EEBDRM Cc1ccnc(-c2noc(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)n2)n1 ZINC001600597196 1350094002 /nfs/dbraw/zinc/09/40/02/1350094002.db2.gz FTAMDLFLZKXQBT-UHFFFAOYSA-N -1 0 327.256 2.108 20 5 EEBDRM Cc1nn(CCOc2ccccc2C(=O)[O-])c2ncc([N+](=O)[O-])cc12 ZINC001600788291 1350137480 /nfs/dbraw/zinc/13/74/80/1350137480.db2.gz XCLHIQSFQWKAEF-UHFFFAOYSA-N -1 0 342.311 2.425 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001600905851 1350164707 /nfs/dbraw/zinc/16/47/07/1350164707.db2.gz UGEZYAFCWWRHBL-UHFFFAOYSA-N -1 0 329.312 2.225 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001601217054 1350233902 /nfs/dbraw/zinc/23/39/02/1350233902.db2.gz BGRJJVWTXPNIFF-UHFFFAOYSA-N -1 0 345.311 2.283 20 5 EEBDRM O=C([O-])[C@H]1CCCCCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001601261043 1350243657 /nfs/dbraw/zinc/24/36/57/1350243657.db2.gz KZRVDZMUKROLEG-CQSZACIVSA-N -1 0 348.355 2.414 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)on1 ZINC001601587299 1350313421 /nfs/dbraw/zinc/31/34/21/1350313421.db2.gz SDDVCGINTGDZBK-UHFFFAOYSA-N -1 0 332.272 2.108 20 5 EEBDRM O=C([O-])C12CCC(C(=O)NCCc3ccccc3[N+](=O)[O-])(CC1)C2 ZINC001601730446 1350349984 /nfs/dbraw/zinc/34/99/84/1350349984.db2.gz ZTYYYEUEGFGDHP-UHFFFAOYSA-N -1 0 332.356 2.289 20 5 EEBDRM O=C([O-])[C@H]1[C@@H](O)CCCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001601752977 1350356588 /nfs/dbraw/zinc/35/65/88/1350356588.db2.gz LMZOGWAOFOTITM-CMPLNLGQSA-N -1 0 349.170 2.312 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccncc1 ZINC001601903540 1350393870 /nfs/dbraw/zinc/39/38/70/1350393870.db2.gz AXIGXFZVUPCMFZ-LBPRGKRZSA-N -1 0 333.275 2.075 20 5 EEBDRM O=C([O-])C[C@@]1(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCCOC1 ZINC001601932221 1350400282 /nfs/dbraw/zinc/40/02/82/1350400282.db2.gz KLMZNJMTZSUIJW-AWEZNQCLSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])CC1CC(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC001601947718 1350403416 /nfs/dbraw/zinc/40/34/16/1350403416.db2.gz VAIKXFSYZIAEHA-UHFFFAOYSA-N -1 0 333.344 2.152 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@H]2CCCN2CC(F)F)c([N+](=O)[O-])c1 ZINC001602138739 1350448305 /nfs/dbraw/zinc/44/83/05/1350448305.db2.gz SFEICEXKNFKPBS-NSHDSACASA-N -1 0 343.330 2.363 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001602196453 1350463394 /nfs/dbraw/zinc/46/33/94/1350463394.db2.gz JAEYBOHPPCLFPR-CABZTGNLSA-N -1 0 344.726 2.204 20 5 EEBDRM O=C([O-])c1cc(F)ccc1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001602275459 1350483443 /nfs/dbraw/zinc/48/34/43/1350483443.db2.gz WKEUNYCXIHSPJP-UHFFFAOYSA-N -1 0 339.300 2.406 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001602402647 1350510987 /nfs/dbraw/zinc/51/09/87/1350510987.db2.gz DUHOCRRDPUESFE-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1cccc(C(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC001602432057 1350518122 /nfs/dbraw/zinc/51/81/22/1350518122.db2.gz XDCKLYUAVSTICK-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM O=C([O-])C1(COC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC001602613473 1350557511 /nfs/dbraw/zinc/55/75/11/1350557511.db2.gz XTMLDXHGOZLASC-UHFFFAOYSA-N -1 0 331.284 2.007 20 5 EEBDRM O=C([O-])/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)CN1CCC(=O)CC1 ZINC001602646218 1350564964 /nfs/dbraw/zinc/56/49/64/1350564964.db2.gz CUUPITREJTWZTG-YRNVUSSQSA-N -1 0 338.747 2.381 20 5 EEBDRM CC(C)[C@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)N1CCCC1 ZINC001603745005 1350757182 /nfs/dbraw/zinc/75/71/82/1350757182.db2.gz ZODZKNKCBFUMJX-AWEZNQCLSA-N -1 0 336.344 2.319 20 5 EEBDRM CC(C)NC(=O)c1ccc(N[C@@H]2CC=C(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001603901374 1350798953 /nfs/dbraw/zinc/79/89/53/1350798953.db2.gz MYGSCAAMZNYLRN-GFCCVEGCSA-N -1 0 333.344 2.318 20 5 EEBDRM C[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1 ZINC001604184147 1350887161 /nfs/dbraw/zinc/88/71/61/1350887161.db2.gz UBQJDEGSDZJPEX-SNVBAGLBSA-N -1 0 329.312 2.222 20 5 EEBDRM C[C@](NCc1nc(C2CCC2)no1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604349344 1350921738 /nfs/dbraw/zinc/92/17/38/1350921738.db2.gz NNGRWYSZDVSTNX-MRXNPFEDSA-N -1 0 346.343 2.335 20 5 EEBDRM C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1nccc(N)n1 ZINC001604362364 1350924056 /nfs/dbraw/zinc/92/40/56/1350924056.db2.gz KXOQNHCSCIOLDE-SGRBOOSSSA-N -1 0 329.316 2.238 20 5 EEBDRM C[C@](O)(CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001604376639 1350926235 /nfs/dbraw/zinc/92/62/35/1350926235.db2.gz NBBZIPMXDAHBDQ-HNNXBMFYSA-N -1 0 335.291 2.147 20 5 EEBDRM C[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C(=O)[O-])C1 ZINC001604757552 1350998172 /nfs/dbraw/zinc/99/81/72/1350998172.db2.gz VTJUGCVNBIBTMR-ZWNOBZJWSA-N -1 0 346.343 2.330 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C(=O)[O-])co1 ZINC001605061067 1351069581 /nfs/dbraw/zinc/06/95/81/1351069581.db2.gz OVNAGHAZVKJREB-NSHDSACASA-N -1 0 347.327 2.166 20 5 EEBDRM CN(Cc1ccc([S@](C)=O)cc1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606164007 1351279927 /nfs/dbraw/zinc/27/99/27/1351279927.db2.gz CFTIWLIYACLVGC-DEOSSOPVSA-N -1 0 349.368 2.062 20 5 EEBDRM COC(=O)c1cccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001606615831 1351332702 /nfs/dbraw/zinc/33/27/02/1351332702.db2.gz BDEDZENPAPIMDY-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM COC(C)(C)CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001606656503 1351337830 /nfs/dbraw/zinc/33/78/30/1351337830.db2.gz QIGWNRPDENIQDU-UHFFFAOYSA-N -1 0 325.321 2.148 20 5 EEBDRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])C1 ZINC001606744014 1351350393 /nfs/dbraw/zinc/35/03/93/1351350393.db2.gz XXDLCZYPBQOFGG-UISBYWKRSA-N -1 0 342.373 2.045 20 5 EEBDRM CO[C@@H]1CCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC001606748228 1351350619 /nfs/dbraw/zinc/35/06/19/1351350619.db2.gz GAIUGTHHKAUHIH-IFCOSYQSSA-N -1 0 348.355 2.089 20 5 EEBDRM COc1ccc(CNC(=O)Cc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001607255801 1351459726 /nfs/dbraw/zinc/45/97/26/1351459726.db2.gz PKPRCSDMNBHCJE-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM COc1cccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001607304421 1351469199 /nfs/dbraw/zinc/46/91/99/1351469199.db2.gz AADCJGQMNYJKCT-MEDUHNTESA-N -1 0 336.344 2.367 20 5 EEBDRM COc1ccccc1C[C@H](CNc1ccc([N+](=O)[O-])nc1)C(=O)[O-] ZINC001607344991 1351479246 /nfs/dbraw/zinc/47/92/46/1351479246.db2.gz IUWUBBYCZPOAMP-GFCCVEGCSA-N -1 0 331.328 2.354 20 5 EEBDRM Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)nc1C ZINC001607728117 1351547847 /nfs/dbraw/zinc/54/78/47/1351547847.db2.gz KYRJFRNLIIZBEY-KRWDZBQOSA-N -1 0 343.339 2.336 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001607826126 1351566067 /nfs/dbraw/zinc/56/60/67/1351566067.db2.gz AHJDFFSZGIELJU-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001607826648 1351566319 /nfs/dbraw/zinc/56/63/19/1351566319.db2.gz VSFQAYKLKHJNLZ-UHFFFAOYSA-N -1 0 333.300 2.255 20 5 EEBDRM Cc1cnc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1C ZINC001607906034 1351583475 /nfs/dbraw/zinc/58/34/75/1351583475.db2.gz ZCTCKEKUYCKEBM-QGZVFWFLSA-N -1 0 343.339 2.336 20 5 EEBDRM Cc1nc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1C(=O)[O-] ZINC001607959837 1351593189 /nfs/dbraw/zinc/59/31/89/1351593189.db2.gz FIKWJSHPRXVUJX-NSHDSACASA-N -1 0 343.343 2.082 20 5 EEBDRM Cc1nn(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC001608011116 1351604287 /nfs/dbraw/zinc/60/42/87/1351604287.db2.gz GBBNWOBZNTUMGA-AWEZNQCLSA-N -1 0 330.344 2.050 20 5 EEBDRM COc1ccc(Nc2cc(O)cc([N+](=O)[O-])c2)c(S(=O)(=O)[O-])c1 ZINC001201224886 1368796103 /nfs/dbraw/zinc/79/61/03/1368796103.db2.gz VIRLYVAPCQGRLD-UHFFFAOYSA-N -1 0 340.313 2.299 20 5 EEBDRM Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CC[C@H](C2CC2)C1 ZINC001121371874 1371874376 /nfs/dbraw/zinc/87/43/76/1371874376.db2.gz QCFWICQSZWHELI-NSHDSACASA-N -1 0 329.360 2.332 20 5 EEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C=C(C)C ZINC000839059590 1372885911 /nfs/dbraw/zinc/88/59/11/1372885911.db2.gz USYMLJNTFBKOKX-UHFFFAOYSA-N -1 0 341.389 2.188 20 5 EEBDRM CNc1c(C(=O)OCc2ccc(C(=O)[O-])cn2)cccc1[N+](=O)[O-] ZINC001606308652 1404785475 /nfs/dbraw/zinc/78/54/75/1404785475.db2.gz LUODAHWKTHQONP-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000171479474 1405728882 /nfs/dbraw/zinc/72/88/82/1405728882.db2.gz CBGHUFCXFFCPMM-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)on1 ZINC000809810073 783378918 /nfs/dbraw/zinc/37/89/18/783378918.db2.gz JQLUXNYKLHNZIM-UHFFFAOYSA-N -1 0 349.727 2.162 20 5 EEBDRM CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)[O-] ZINC000844159433 788904745 /nfs/dbraw/zinc/90/47/45/788904745.db2.gz UKHACODOZJULHR-GFCCVEGCSA-N -1 0 349.387 2.426 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@@H](CO)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000844210678 788928822 /nfs/dbraw/zinc/92/88/22/788928822.db2.gz YKMBJCGXVVGUER-FIFYQCSRSA-N -1 0 334.250 2.418 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc3c(c2)CC(=O)NC3)cc1[N+](=O)[O-] ZINC001174505984 797785776 /nfs/dbraw/zinc/78/57/76/797785776.db2.gz XIHOXCPHFNKZTK-UHFFFAOYSA-N -1 0 327.296 2.209 20 5 EEBDRM CC1(C)CC(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000796896220 806630907 /nfs/dbraw/zinc/63/09/07/806630907.db2.gz IBOWCTWKGZPCLN-UHFFFAOYSA-N -1 0 346.792 2.489 20 5 EEBDRM CS(=O)(=O)c1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176676815 798524220 /nfs/dbraw/zinc/52/42/20/798524220.db2.gz JIMNTCAVBOBKKD-UHFFFAOYSA-N -1 0 336.325 2.440 20 5 EEBDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000786652906 806830137 /nfs/dbraw/zinc/83/01/37/806830137.db2.gz BRFGQQGYTIAYFR-UHFFFAOYSA-N -1 0 348.380 2.205 20 5 EEBDRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000790642468 808861636 /nfs/dbraw/zinc/86/16/36/808861636.db2.gz NRGSDCFRAAYTHM-UHFFFAOYSA-N -1 0 340.386 2.433 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])cc1 ZINC000345971972 939128231 /nfs/dbraw/zinc/12/82/31/939128231.db2.gz DBHHRDUWVPESPS-GFCCVEGCSA-N -1 0 336.325 2.221 20 5 EEBDRM Nc1c(Cl)cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC001601211638 970954782 /nfs/dbraw/zinc/95/47/82/970954782.db2.gz TYPPTTJPCWMFJB-SECBINFHSA-N -1 0 341.751 2.300 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC001601433627 970997016 /nfs/dbraw/zinc/99/70/16/970997016.db2.gz IKCDCQQGECNNPK-KOLCDFICSA-N -1 0 333.344 2.152 20 5 EEBDRM O=C([O-])CCC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC001611421532 971040776 /nfs/dbraw/zinc/04/07/76/971040776.db2.gz KDTZOWOAFAWFHC-UHFFFAOYSA-N -1 0 332.106 2.265 20 5 EEBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC001589604302 949220096 /nfs/dbraw/zinc/22/00/96/949220096.db2.gz TXPQSXDHQNTECV-INIZCTEOSA-N -1 0 335.360 2.354 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000166983174 949454534 /nfs/dbraw/zinc/45/45/34/949454534.db2.gz GZIZLAXEJPFFQK-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001595262432 949691551 /nfs/dbraw/zinc/69/15/51/949691551.db2.gz CXFACDBGCVIESD-CHWSQXEVSA-N -1 0 327.296 2.430 20 5 EEBDRM O=C([O-])c1cnc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)cn1 ZINC001595269325 949809485 /nfs/dbraw/zinc/80/94/85/949809485.db2.gz BHCUTMFKFYFAQC-UHFFFAOYSA-N -1 0 349.324 2.032 20 5 EEBDRM O=C([O-])CC1(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC001594977204 950934470 /nfs/dbraw/zinc/93/44/70/950934470.db2.gz PDSNSMUIMQZKOM-UHFFFAOYSA-N -1 0 342.735 2.458 20 5 EEBDRM O=C([O-])CCCOC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001595052088 951468501 /nfs/dbraw/zinc/46/85/01/951468501.db2.gz GLCLTXJSSYPSDU-UHFFFAOYSA-N -1 0 332.106 2.379 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC001595117942 951951472 /nfs/dbraw/zinc/95/14/72/951951472.db2.gz KWIRHLOJPZEFRE-UHFFFAOYSA-N -1 0 342.307 2.261 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 ZINC001595209763 952359167 /nfs/dbraw/zinc/35/91/67/952359167.db2.gz GVLBFMLZHDYBRP-UHFFFAOYSA-N -1 0 332.297 2.483 20 5 EEBDRM O=C([O-])[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001594831777 953973780 /nfs/dbraw/zinc/97/37/80/953973780.db2.gz JKAQRGIEIMWHEL-UKRRQHHQSA-N -1 0 332.356 2.412 20 5 EEBDRM C[C@@](O)(CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589148243 956319384 /nfs/dbraw/zinc/31/93/84/956319384.db2.gz NTIAURQXXSSSIW-QGZVFWFLSA-N -1 0 344.323 2.073 20 5 EEBDRM NC(=O)c1cc(Nc2cccc(CCC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001594649974 956465562 /nfs/dbraw/zinc/46/55/62/956465562.db2.gz UFNPFFDKZIEDRS-UHFFFAOYSA-N -1 0 329.312 2.455 20 5 EEBDRM O=C([O-])c1ccc2c(=O)[nH]c(Cc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000019413617 957107808 /nfs/dbraw/zinc/10/78/08/957107808.db2.gz FVOCXDOSWQOKAM-UHFFFAOYSA-N -1 0 325.280 2.120 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045622463 957452854 /nfs/dbraw/zinc/45/28/54/957452854.db2.gz ZAXLHVISJKCPBR-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM COc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC001594050509 957981841 /nfs/dbraw/zinc/98/18/41/957981841.db2.gz LMSAXMYFYBXRAR-RKDXNWHRSA-N -1 0 340.307 2.068 20 5 EEBDRM Cc1cc(OCC(=O)NC[C@H](CC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594328210 958191528 /nfs/dbraw/zinc/19/15/28/958191528.db2.gz LEYZFWPLSLWOEG-LBPRGKRZSA-N -1 0 338.360 2.145 20 5 EEBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001573406152 958725431 /nfs/dbraw/zinc/72/54/31/958725431.db2.gz BAPGXEBEPRDBJB-UHFFFAOYSA-N -1 0 326.324 2.236 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000211260086 959680681 /nfs/dbraw/zinc/68/06/81/959680681.db2.gz NJDSXBFTVRNVKZ-NKWVEPMBSA-N -1 0 329.106 2.017 20 5 EEBDRM CC(C)(C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001603297481 972571359 /nfs/dbraw/zinc/57/13/59/972571359.db2.gz YNAASTCHNISZOT-MRXNPFEDSA-N -1 0 338.335 2.335 20 5 EEBDRM C[C@@H](C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001603355176 972798442 /nfs/dbraw/zinc/79/84/42/972798442.db2.gz PDNBDHCRMRBESS-MXWKQRLJSA-N -1 0 338.335 2.407 20 5 EEBDRM COCCN(CCC(=O)[O-])C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001604600405 973704513 /nfs/dbraw/zinc/70/45/13/973704513.db2.gz LFJHMDDFMUHSBV-UHFFFAOYSA-N -1 0 338.360 2.083 20 5 EEBDRM O=C([O-])c1ccc(/C=C/C(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC001606483181 973965208 /nfs/dbraw/zinc/96/52/08/973965208.db2.gz SHPBWRICVOMCIO-GQCTYLIASA-N -1 0 328.280 2.489 20 5 EEBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001591769567 975893225 /nfs/dbraw/zinc/89/32/25/975893225.db2.gz OJNBHZWWKYJZEE-UHFFFAOYSA-N -1 0 334.288 2.056 20 5 EEBDRM C[C@@H](CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592655800 978639668 /nfs/dbraw/zinc/63/96/68/978639668.db2.gz WAXKREUZDUXGFX-MEDUHNTESA-N -1 0 335.360 2.205 20 5 EEBDRM CO[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000849349061 979499858 /nfs/dbraw/zinc/49/98/58/979499858.db2.gz OINHXBSEXFDXAQ-VAIBOMDZSA-N -1 0 336.344 2.156 20 5 EEBDRM Nc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000851617760 979541908 /nfs/dbraw/zinc/54/19/08/979541908.db2.gz FILYNXHKIZINLQ-SGMGOOAPSA-N -1 0 347.371 2.283 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594901816 982358819 /nfs/dbraw/zinc/35/88/19/982358819.db2.gz JSINPFJYNXUOBA-OQPBUACISA-N -1 0 344.751 2.243 20 5 EEBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@H](C)C(=O)[O-] ZINC001595831341 982721857 /nfs/dbraw/zinc/72/18/57/982721857.db2.gz ZORPNYNPWSSYNO-LLVKDONJSA-N -1 0 346.343 2.106 20 5 EEBDRM CCCc1nc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)no1 ZINC001596089667 983413427 /nfs/dbraw/zinc/41/34/27/983413427.db2.gz LNUASIOSKPONRZ-OAHLLOKOSA-N -1 0 334.332 2.020 20 5 EEBDRM CCOC(=O)C1=CC[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001596565641 984450669 /nfs/dbraw/zinc/45/06/69/984450669.db2.gz ROXDOMISQLKATF-LBPRGKRZSA-N -1 0 334.328 2.286 20 5 EEBDRM C/C(=C/C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001588942903 984638915 /nfs/dbraw/zinc/63/89/15/984638915.db2.gz SKCZFWKAGHLDBC-APPLLFRUSA-N -1 0 340.282 2.080 20 5 EEBDRM C[C@H](CC(=O)[O-])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001599887445 984653182 /nfs/dbraw/zinc/65/31/82/984653182.db2.gz KFLNKVORHUJEQL-ZCFIWIBFSA-N -1 0 333.247 2.181 20 5 EEBDRM CCc1cc(C(=O)[O-])c(NC(=O)c2nn(CC)cc2[N+](=O)[O-])s1 ZINC001597445515 987817155 /nfs/dbraw/zinc/81/71/55/987817155.db2.gz NBJKHBIGUJSMNJ-UHFFFAOYSA-N -1 0 338.345 2.386 20 5 EEBDRM CSc1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)n2)cc1[N+](=O)[O-] ZINC001599810455 988325194 /nfs/dbraw/zinc/32/51/94/988325194.db2.gz YASXIYFEQHBPLE-UHFFFAOYSA-N -1 0 336.329 2.001 20 5 EEBDRM CC(C)(CCC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC001590656253 990353242 /nfs/dbraw/zinc/35/32/42/990353242.db2.gz MAXAOZJSDSJTGP-UHFFFAOYSA-N -1 0 344.314 2.214 20 5 EEBDRM CN(C)C(=O)OCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598143951 990606349 /nfs/dbraw/zinc/60/63/49/990606349.db2.gz AESRSPWRHLTUOA-UHFFFAOYSA-N -1 0 331.712 2.057 20 5 EEBDRM CC(C)(NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cc(C(=O)[O-])on1 ZINC001590856066 990745243 /nfs/dbraw/zinc/74/52/43/990745243.db2.gz ZDKSKBZBXDVILV-UHFFFAOYSA-N -1 0 334.288 2.338 20 5 EEBDRM CC(C)(NCCOc1ccccc1[N+](=O)[O-])c1cc(C(=O)[O-])on1 ZINC001590871001 990775202 /nfs/dbraw/zinc/77/52/02/990775202.db2.gz UTVFPOBLJAYDSN-UHFFFAOYSA-N -1 0 335.316 2.185 20 5 EEBDRM CC(C)C[C@@H](NC(=O)COc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001591173666 991965150 /nfs/dbraw/zinc/96/51/50/991965150.db2.gz LOQJQXGYOIWESP-SNVBAGLBSA-N -1 0 344.751 2.243 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccc[nH]2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170750 994028103 /nfs/dbraw/zinc/02/81/03/994028103.db2.gz OOVMNJWOXRGFOW-UWVGGRQHSA-N -1 0 346.343 2.299 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1OCC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001599623287 994114093 /nfs/dbraw/zinc/11/40/93/994114093.db2.gz YGMBGYOPVSUDEF-UHFFFAOYSA-N -1 0 334.284 2.200 20 5 EEBDRM CNC(=O)c1ccc(CN(C)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001598657921 994553508 /nfs/dbraw/zinc/55/35/08/994553508.db2.gz TXYJGVVVNLAZSS-UHFFFAOYSA-N -1 0 343.339 2.289 20 5 EEBDRM CNc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2N)cc1[N+](=O)[O-] ZINC001598679093 994897088 /nfs/dbraw/zinc/89/70/88/994897088.db2.gz RTJWRIWUBFPOQX-UHFFFAOYSA-N -1 0 330.300 2.169 20 5 EEBDRM CC1(C(=O)[O-])CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001593808980 996542749 /nfs/dbraw/zinc/54/27/49/996542749.db2.gz ZXOLRFLIPGKSOQ-UHFFFAOYSA-N -1 0 347.352 2.265 20 5 EEBDRM COc1cc(CN2CCC(CC(=O)[O-])CC2)c([N+](=O)[O-])cc1F ZINC001599406497 997316123 /nfs/dbraw/zinc/31/61/23/997316123.db2.gz DFSSQTNVYCAILA-UHFFFAOYSA-N -1 0 326.324 2.429 20 5 EEBDRM CO[C@@H]1COCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599137347 998065282 /nfs/dbraw/zinc/06/52/82/998065282.db2.gz AWAJSCKUQOJLDU-LDYMZIIASA-N -1 0 344.751 2.410 20 5 EEBDRM CC1=C(C)CN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001594109047 998189269 /nfs/dbraw/zinc/18/92/69/998189269.db2.gz COSXXJHAPOZBJK-GFCCVEGCSA-N -1 0 347.371 2.344 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)c([N+](=O)[O-])c1 ZINC000446969151 242234940 /nfs/dbraw/zinc/23/49/40/242234940.db2.gz GOXNTYUFBFHJJZ-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccnc1N1CCCC1 ZINC000069629082 203029341 /nfs/dbraw/zinc/02/93/41/203029341.db2.gz GLLQRWXZCSQHAT-UHFFFAOYSA-N -1 0 348.384 2.391 20 5 EEBDRM CC(C)Oc1cc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccn1 ZINC000119340137 204647549 /nfs/dbraw/zinc/64/75/49/204647549.db2.gz MVTOIEDVQZUBCR-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)/C=C/C1CCCC1 ZINC000493509845 246695470 /nfs/dbraw/zinc/69/54/70/246695470.db2.gz GHXJUPQQWZJIEW-MDZDMXLPSA-N -1 0 338.385 2.455 20 5 EEBDRM O=C(NC[C@@H]1COC2(CCCCC2)O1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273456715 256298010 /nfs/dbraw/zinc/29/80/10/256298010.db2.gz DMYJRBUFKIFMOM-GFCCVEGCSA-N -1 0 336.344 2.106 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000276573285 256445594 /nfs/dbraw/zinc/44/55/94/256445594.db2.gz BPCZATWYBDAAGJ-UHFFFAOYSA-N -1 0 342.402 2.457 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000263126002 152382139 /nfs/dbraw/zinc/38/21/39/152382139.db2.gz CQRGZOKKFAIEJD-WPRPVWTQSA-N -1 0 326.736 2.431 20 5 EEBDRM CC(C)(C)CC[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000263190999 152399375 /nfs/dbraw/zinc/39/93/75/152399375.db2.gz STPGOOYGTUUUHI-LBPRGKRZSA-N -1 0 337.376 2.402 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)nc1 ZINC000067116687 159007523 /nfs/dbraw/zinc/00/75/23/159007523.db2.gz RXDWMTWADIFRQL-UHFFFAOYSA-N -1 0 337.357 2.362 20 5 EEBDRM C[S@@](=O)Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000092545863 159222369 /nfs/dbraw/zinc/22/23/69/159222369.db2.gz VOBNMHRBEDHUMM-QHCPKHFHSA-N -1 0 334.353 2.431 20 5 EEBDRM CO[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121003894 159398329 /nfs/dbraw/zinc/39/83/29/159398329.db2.gz FBRQBTDAQOVTML-JSGCOSHPSA-N -1 0 342.417 2.448 20 5 EEBDRM O=C([O-])CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000345882579 161339814 /nfs/dbraw/zinc/33/98/14/161339814.db2.gz DQCYNKUWHCNOAH-UHFFFAOYSA-N -1 0 347.327 2.097 20 5 EEBDRM COc1cc(C=Cc2nc3cnccc3c(=O)[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000151459841 292473789 /nfs/dbraw/zinc/47/37/89/292473789.db2.gz IZXPHAAYDOVNPN-NSCUHMNNSA-N -1 0 340.295 2.111 20 5 EEBDRM COC(=O)c1cccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000356285920 163392430 /nfs/dbraw/zinc/39/24/30/163392430.db2.gz VNDGIZZAZLEVLU-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM COc1cccc(COCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356735173 163524627 /nfs/dbraw/zinc/52/46/27/163524627.db2.gz WPHMALRUDPSNPB-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM Cn1cc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])n2)cn1 ZINC000154353290 292521469 /nfs/dbraw/zinc/52/14/69/292521469.db2.gz XEJGAGMXJRZODQ-UHFFFAOYSA-N -1 0 345.340 2.410 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C2 ZINC000369705165 166317955 /nfs/dbraw/zinc/31/79/55/166317955.db2.gz VMBOXWDXLUBKFI-AACONHIESA-N -1 0 330.340 2.321 20 5 EEBDRM CCOC(=O)C[C@@](C)(NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000274935573 269076887 /nfs/dbraw/zinc/07/68/87/269076887.db2.gz POUOUKDKQIUQNV-MRXNPFEDSA-N -1 0 338.360 2.398 20 5 EEBDRM Cn1nc([C@H]2CCCO2)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000279131293 269264404 /nfs/dbraw/zinc/26/44/04/269264404.db2.gz NFBMUVHTTBVONF-CYBMUJFWSA-N -1 0 332.316 2.138 20 5 EEBDRM CC(C)n1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000280840548 274602718 /nfs/dbraw/zinc/60/27/18/274602718.db2.gz APGZCXHGIHDHHW-UHFFFAOYSA-N -1 0 328.325 2.312 20 5 EEBDRM CN(CC(F)(F)Br)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000288208767 275035228 /nfs/dbraw/zinc/03/52/28/275035228.db2.gz MUVPXWLZZBBXNN-UHFFFAOYSA-N -1 0 339.092 2.360 20 5 EEBDRM O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000291070086 275266985 /nfs/dbraw/zinc/26/69/85/275266985.db2.gz YPRJAPUVXQHTSZ-WMZOPIPTSA-N -1 0 342.351 2.196 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@](CO)(c2ccccc2)C1 ZINC000291149063 275275798 /nfs/dbraw/zinc/27/57/98/275275798.db2.gz IFWCBXHJGWMWIO-SFHVURJKSA-N -1 0 342.351 2.077 20 5 EEBDRM CC[C@H](COCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000295312770 293679878 /nfs/dbraw/zinc/67/98/78/293679878.db2.gz CMFWRNUTVZOFGS-MRVPVSSYSA-N -1 0 336.266 2.388 20 5 EEBDRM NC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000436883280 315008525 /nfs/dbraw/zinc/00/85/25/315008525.db2.gz CVOSWEWGAUAJDI-UHFFFAOYSA-N -1 0 334.263 2.182 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(NC(N)=O)cc1 ZINC000436909200 315011984 /nfs/dbraw/zinc/01/19/84/315011984.db2.gz LNFMOWMYZWZAGH-VIFPVBQESA-N -1 0 344.327 2.282 20 5 EEBDRM O=C(NCCn1cnc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436961629 315016849 /nfs/dbraw/zinc/01/68/49/315016849.db2.gz HWYGKYSEIJIVEB-UHFFFAOYSA-N -1 0 326.312 2.080 20 5 EEBDRM Cn1nc(-c2ccncc2)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436965390 315017449 /nfs/dbraw/zinc/01/74/49/315017449.db2.gz UCVYUELGSQZMOS-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000436968786 315018178 /nfs/dbraw/zinc/01/81/78/315018178.db2.gz XCWCRLYUBYTEPR-KGLIPLIRSA-N -1 0 349.387 2.162 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(Oc2ccccn2)CC1 ZINC000436972575 315018599 /nfs/dbraw/zinc/01/85/99/315018599.db2.gz UCXVNIXPGCOILB-UHFFFAOYSA-N -1 0 343.339 2.379 20 5 EEBDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442223183 315196288 /nfs/dbraw/zinc/19/62/88/315196288.db2.gz QBAZZXVKWIEIBY-UHFFFAOYSA-N -1 0 332.288 2.365 20 5 EEBDRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000496628893 316201022 /nfs/dbraw/zinc/20/10/22/316201022.db2.gz BHFCRXUGWMEYNN-VHSXEESVSA-N -1 0 337.332 2.152 20 5 EEBDRM CCNC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000532641300 317875156 /nfs/dbraw/zinc/87/51/56/317875156.db2.gz HUQQGGIPXRUISG-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c([N+](=O)[O-])n1 ZINC000533261896 317906286 /nfs/dbraw/zinc/90/62/86/317906286.db2.gz UWFHGRNLBFKGCF-UHFFFAOYSA-N -1 0 348.743 2.405 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000561916723 318854666 /nfs/dbraw/zinc/85/46/66/318854666.db2.gz VMQDUSPCHILKQY-UHFFFAOYSA-N -1 0 344.323 2.410 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000563214168 318984740 /nfs/dbraw/zinc/98/47/40/318984740.db2.gz PSDSQFMCUWNAEZ-NSHDSACASA-N -1 0 333.369 2.397 20 5 EEBDRM Cn1cc([C@@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000564099995 319067614 /nfs/dbraw/zinc/06/76/14/319067614.db2.gz RLBCIFQHTSYLCB-ZDUSSCGKSA-N -1 0 344.371 2.300 20 5 EEBDRM CCc1nn(C)c(NCc2ccc(OC)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000566858514 319327478 /nfs/dbraw/zinc/32/74/78/319327478.db2.gz ONXKOCBJOUSGRM-UHFFFAOYSA-N -1 0 334.332 2.210 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@]2(CO)C[C@@H]2c2ccccc2)n1 ZINC000567475744 319383466 /nfs/dbraw/zinc/38/34/66/319383466.db2.gz VTDDXEWWDMGMNB-SJKOYZFVSA-N -1 0 343.339 2.266 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2Cc3ccc(O)cc3C3(CC3)C2)n1 ZINC000567978130 319440582 /nfs/dbraw/zinc/44/05/82/319440582.db2.gz YFBRESUHWBRWAP-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000569336611 319567332 /nfs/dbraw/zinc/56/73/32/319567332.db2.gz FJXRNKTTYHEFCU-UHFFFAOYSA-N -1 0 342.373 2.022 20 5 EEBDRM C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000577219235 320242929 /nfs/dbraw/zinc/24/29/29/320242929.db2.gz XQIJHHBKSPHGDJ-ZJUUUORDSA-N -1 0 342.373 2.102 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC([C@@H]3CCCO3)CC2)n1 ZINC000580315875 324038574 /nfs/dbraw/zinc/03/85/74/324038574.db2.gz QJQLIEZHOWABES-ZDUSSCGKSA-N -1 0 335.360 2.392 20 5 EEBDRM C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000582003290 324359768 /nfs/dbraw/zinc/35/97/68/324359768.db2.gz DWHWRFUUCBOQSB-GWCFXTLKSA-N -1 0 347.371 2.352 20 5 EEBDRM C[C@@H](NC(=O)N[C@@H](CC(F)F)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000582983746 324569127 /nfs/dbraw/zinc/56/91/27/324569127.db2.gz CREIFINFHDGHCX-XCBNKYQSSA-N -1 0 331.275 2.063 20 5 EEBDRM O=C1NCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000339038909 465043307 /nfs/dbraw/zinc/04/33/07/465043307.db2.gz FSYBNNRYIBKKNF-AWEZNQCLSA-N -1 0 333.369 2.035 20 5 EEBDRM C[S@](=O)Cc1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000358403061 465102014 /nfs/dbraw/zinc/10/20/14/465102014.db2.gz AKQCEPXKJZSFCO-QHCPKHFHSA-N -1 0 334.353 2.431 20 5 EEBDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000358614442 465223399 /nfs/dbraw/zinc/22/33/99/465223399.db2.gz YGZUCHNUQLAVDA-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000097065963 463313546 /nfs/dbraw/zinc/31/35/46/463313546.db2.gz AEPFFPXSCRRHSL-SVRRBLITSA-N -1 0 330.138 2.418 20 5 EEBDRM CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000125534464 463554198 /nfs/dbraw/zinc/55/41/98/463554198.db2.gz GQAUZUZUESCGKO-HNNXBMFYSA-N -1 0 328.324 2.231 20 5 EEBDRM C[S@](=O)C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000164774022 463632596 /nfs/dbraw/zinc/63/25/96/463632596.db2.gz XVPGWGRNCXAENQ-YEBMWUKDSA-N -1 0 348.380 2.150 20 5 EEBDRM Cc1cc(NCc2nnc(C3CC3)n2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568753084 468383275 /nfs/dbraw/zinc/38/32/75/468383275.db2.gz XXPDRODBUQZFRH-UHFFFAOYSA-N -1 0 331.332 2.219 20 5 EEBDRM O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000269145173 463889878 /nfs/dbraw/zinc/88/98/78/463889878.db2.gz NUDZJYOTXBPNTH-MEBBXXQBSA-N -1 0 338.385 2.085 20 5 EEBDRM Cc1nn(CCC(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000262188720 463968718 /nfs/dbraw/zinc/96/87/18/463968718.db2.gz XZMKRLQEDQWDPC-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM CC1(C)[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H]2CCCO[C@@H]21 ZINC000262391192 464016634 /nfs/dbraw/zinc/01/66/34/464016634.db2.gz KJZQSSQVXRCMNY-MJBXVCDLSA-N -1 0 348.355 2.226 20 5 EEBDRM C[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000263363820 464091862 /nfs/dbraw/zinc/09/18/62/464091862.db2.gz SPUSTRWMLDPGHT-GMXVVIOVSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C([O-])c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000179616464 464165241 /nfs/dbraw/zinc/16/52/41/464165241.db2.gz ATNFXCVLODJCOW-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000236935094 464241691 /nfs/dbraw/zinc/24/16/91/464241691.db2.gz WABKBJUWZYMFER-JTQLQIEISA-N -1 0 335.360 2.494 20 5 EEBDRM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000174263818 464385297 /nfs/dbraw/zinc/38/52/97/464385297.db2.gz ZNNOTTMLHJRILQ-NRFANRHFSA-N -1 0 340.382 2.133 20 5 EEBDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000180758557 464387564 /nfs/dbraw/zinc/38/75/64/464387564.db2.gz ZTULCZPDOKEAIM-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000268284295 465006643 /nfs/dbraw/zinc/00/66/43/465006643.db2.gz RRPKAZDIEKEVQI-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM Cc1c(CNC(=O)c2cc(F)cc3n[nH]nc32)cccc1[N+](=O)[O-] ZINC000337617958 465472805 /nfs/dbraw/zinc/47/28/05/465472805.db2.gz ZMARSSYPOGFCJG-UHFFFAOYSA-N -1 0 329.291 2.244 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nc(C(F)(F)F)no1 ZINC000600032598 468439825 /nfs/dbraw/zinc/43/98/25/468439825.db2.gz WQJPRRIYXZPDJJ-RXMQYKEDSA-N -1 0 346.221 2.193 20 5 EEBDRM COCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000337985731 465730097 /nfs/dbraw/zinc/73/00/97/465730097.db2.gz VOBZJESANRJXPB-ZDUSSCGKSA-N -1 0 348.396 2.463 20 5 EEBDRM C[C@@H]1CCCN(c2ccc(C(=O)NCCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000357392874 466001117 /nfs/dbraw/zinc/00/11/17/466001117.db2.gz PAYASDIPYLWMAL-LLVKDONJSA-N -1 0 335.360 2.036 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1Cc2ccccc2C(=O)O1 ZINC000367008121 466069405 /nfs/dbraw/zinc/06/94/05/466069405.db2.gz WDBNVKIPVUDMJC-CQSZACIVSA-N -1 0 328.280 2.021 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[nH]nc1-c1ccccn1 ZINC000362961762 466148326 /nfs/dbraw/zinc/14/83/26/466148326.db2.gz YSWNEZPOKGWDGL-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM COC(=O)c1cc(OC)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000357608485 466173472 /nfs/dbraw/zinc/17/34/72/466173472.db2.gz YTNSADQQVMNRRK-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM Cc1cc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cc([N+](=O)[O-])c1 ZINC000331926070 466309382 /nfs/dbraw/zinc/30/93/82/466309382.db2.gz OZGMCYSKEQJCHZ-GFCCVEGCSA-N -1 0 331.332 2.094 20 5 EEBDRM CN(CC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000347143198 466426476 /nfs/dbraw/zinc/42/64/76/466426476.db2.gz WVWDZGPQAJLNLT-UHFFFAOYSA-N -1 0 343.339 2.297 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC000322547521 466632955 /nfs/dbraw/zinc/63/29/55/466632955.db2.gz LZUGGAMFEHPZDV-NSHDSACASA-N -1 0 344.389 2.071 20 5 EEBDRM COc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000325553475 466659923 /nfs/dbraw/zinc/65/99/23/466659923.db2.gz FCMFDBCLBLJIAE-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM COc1ccc2c(c1)OCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000374703122 466719632 /nfs/dbraw/zinc/71/96/32/466719632.db2.gz KUMQANTUPXPKRJ-UHFFFAOYSA-N -1 0 344.323 2.344 20 5 EEBDRM Cn1cc(-c2cncc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c2)cn1 ZINC000378416802 467296028 /nfs/dbraw/zinc/29/60/28/467296028.db2.gz ARCDEVUYROJWEK-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000493110295 467842780 /nfs/dbraw/zinc/84/27/80/467842780.db2.gz ZRPQDEHYMPZDBI-QRJSTWQJSA-N -1 0 334.357 2.228 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)/C=C/C(C)(C)C)cccc1[N+](=O)[O-] ZINC000493815981 467989554 /nfs/dbraw/zinc/98/95/54/467989554.db2.gz GMKGGIMGRRYGMC-CMDGGOBGSA-N -1 0 340.401 2.452 20 5 EEBDRM Nc1c(C(=O)Nc2cccc(CC(=O)[O-])c2)cc(F)cc1[N+](=O)[O-] ZINC000532876008 468146964 /nfs/dbraw/zinc/14/69/64/468146964.db2.gz JFACKWPXMDSOGI-UHFFFAOYSA-N -1 0 333.275 2.196 20 5 EEBDRM CCOc1cc(N2CCC[C@@](COC)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000569813839 468547468 /nfs/dbraw/zinc/54/74/68/468547468.db2.gz NMNPUZRUCXKJSI-MRXNPFEDSA-N -1 0 338.360 2.311 20 5 EEBDRM CC(C)[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000594534333 468616894 /nfs/dbraw/zinc/61/68/94/468616894.db2.gz FEESQTWHYGNMOL-CYBMUJFWSA-N -1 0 337.376 2.136 20 5 EEBDRM CC(C)[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000594535933 468616899 /nfs/dbraw/zinc/61/68/99/468616899.db2.gz IOQNMWJGLQSPOB-NSHDSACASA-N -1 0 337.376 2.486 20 5 EEBDRM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000594597513 468630841 /nfs/dbraw/zinc/63/08/41/468630841.db2.gz MZLRKZQUWDLWIS-AULYBMBSSA-N -1 0 336.344 2.369 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCC1CCC1 ZINC000594718678 468662518 /nfs/dbraw/zinc/66/25/18/468662518.db2.gz ABZUFXRMZNNCIL-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM CCO[C@H]1C[C@@](O)(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1(C)C ZINC000583755966 468751080 /nfs/dbraw/zinc/75/10/80/468751080.db2.gz LDXFEBCYTGDLGW-XJKSGUPXSA-N -1 0 338.360 2.271 20 5 EEBDRM CC(C)Cc1nc(=NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])s[n-]1 ZINC000598192261 468791176 /nfs/dbraw/zinc/79/11/76/468791176.db2.gz WKTCZDUTOWSOBL-UHFFFAOYSA-N -1 0 338.364 2.387 20 5 EEBDRM O=C([O-])c1cc(N2CCO[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000595280356 468799505 /nfs/dbraw/zinc/79/95/05/468799505.db2.gz FESIEEWBEYYLEH-SECBINFHSA-N -1 0 334.250 2.451 20 5 EEBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](C)C(=O)[O-] ZINC000595283487 468800452 /nfs/dbraw/zinc/80/04/52/468800452.db2.gz WQZHUQXKZVBZTC-SSDOTTSWSA-N -1 0 345.149 2.293 20 5 EEBDRM Cc1ccccc1N1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000592967130 468830071 /nfs/dbraw/zinc/83/00/71/468830071.db2.gz PKFACGUPSAAPAC-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM Cc1cc(N2CCN(CC(F)(F)F)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592967929 468830082 /nfs/dbraw/zinc/83/00/82/468830082.db2.gz SXQMKADSLNMRDG-UHFFFAOYSA-N -1 0 347.293 2.286 20 5 EEBDRM COc1cccc2c1OC[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000592972199 468831788 /nfs/dbraw/zinc/83/17/88/468831788.db2.gz WPRWQEQPJCDEDI-JTQLQIEISA-N -1 0 345.311 2.112 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@H](c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000572163867 468896120 /nfs/dbraw/zinc/89/61/20/468896120.db2.gz DOSKNMZNISUAAI-ZDUSSCGKSA-N -1 0 347.302 2.405 20 5 EEBDRM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611558895 469279726 /nfs/dbraw/zinc/27/97/26/469279726.db2.gz YXRZOFIWKQJBEK-HNNXBMFYSA-N -1 0 330.344 2.320 20 5 EEBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000455955481 536914413 /nfs/dbraw/zinc/91/44/13/536914413.db2.gz TXQHOKOVCLORGS-INIZCTEOSA-N -1 0 347.327 2.051 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000262788969 536954900 /nfs/dbraw/zinc/95/49/00/536954900.db2.gz KJZUONRNLRPPOV-WDEREUQCSA-N -1 0 336.344 2.111 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N(CC(=O)[O-])C2CC2)cc1SC ZINC000738080056 577998611 /nfs/dbraw/zinc/99/86/11/577998611.db2.gz VFGNULNEOMEVJD-UHFFFAOYSA-N -1 0 340.357 2.015 20 5 EEBDRM Cc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)c(N)c([N+](=O)[O-])c1 ZINC000738208353 578003693 /nfs/dbraw/zinc/00/36/93/578003693.db2.gz QDZZWKIWVUGCQL-UHFFFAOYSA-N -1 0 329.312 2.365 20 5 EEBDRM C[C@H](OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000737752351 576078138 /nfs/dbraw/zinc/07/81/38/576078138.db2.gz REJMORTVCAIALP-NSHDSACASA-N -1 0 336.344 2.461 20 5 EEBDRM Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000739204024 576168448 /nfs/dbraw/zinc/16/84/48/576168448.db2.gz VCOXSGFMLKVRPV-ZDUSSCGKSA-N -1 0 334.259 2.299 20 5 EEBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)CCOCC(F)(F)F)ccc1F ZINC000731902854 577131862 /nfs/dbraw/zinc/13/18/62/577131862.db2.gz UPKQZUHQFNOTBL-UHFFFAOYSA-N -1 0 346.258 2.055 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000774096726 577383192 /nfs/dbraw/zinc/38/31/92/577383192.db2.gz SKTLRMGZBNIOPX-JTQLQIEISA-N -1 0 344.389 2.099 20 5 EEBDRM O=C(CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)OCc1ccccc1 ZINC000768262996 577552984 /nfs/dbraw/zinc/55/29/84/577552984.db2.gz DYGXWZCXNPUYDN-UHFFFAOYSA-N -1 0 344.323 2.164 20 5 EEBDRM Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1 ZINC000758425228 577624446 /nfs/dbraw/zinc/62/44/46/577624446.db2.gz LNYUAMYSFSDJMF-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCC3)cc([N+](=O)[O-])c1C ZINC000759814819 577650988 /nfs/dbraw/zinc/65/09/88/577650988.db2.gz FGOWPPUYIPJXRA-LBPRGKRZSA-N -1 0 338.385 2.207 20 5 EEBDRM C/C=C(\C)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000760964023 577673213 /nfs/dbraw/zinc/67/32/13/577673213.db2.gz OWGOFLBRFFQGCT-QPJJXVBHSA-N -1 0 332.765 2.328 20 5 EEBDRM CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000764561833 577738820 /nfs/dbraw/zinc/73/88/20/577738820.db2.gz OCFGSZRPEZGOSV-UHFFFAOYSA-N -1 0 344.414 2.319 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2nonc21 ZINC000753022044 577780241 /nfs/dbraw/zinc/78/02/41/577780241.db2.gz ZHGIRSDBFOPGPW-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM C[C@@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000753799792 577793910 /nfs/dbraw/zinc/79/39/10/577793910.db2.gz TVZZEVWXAATWNT-VSXLWIIGSA-N -1 0 338.385 2.287 20 5 EEBDRM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)[N-]OCc1cccnc1 ZINC000746937084 577936431 /nfs/dbraw/zinc/93/64/31/577936431.db2.gz MCFJURVZHBCJHW-UHFFFAOYSA-N -1 0 326.312 2.193 20 5 EEBDRM Cc1ccc([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000738567520 578019606 /nfs/dbraw/zinc/01/96/06/578019606.db2.gz OUMCEXUJRJESMX-ZDUSSCGKSA-N -1 0 343.339 2.084 20 5 EEBDRM Cc1nn(CCC(=O)Oc2cccc(CC(=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC000738923661 578031227 /nfs/dbraw/zinc/03/12/27/578031227.db2.gz YKVWDZXXWRCFRA-UHFFFAOYSA-N -1 0 347.327 2.031 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CSc2ccncc2)cc([N+](=O)[O-])c1 ZINC000739337594 578048958 /nfs/dbraw/zinc/04/89/58/578048958.db2.gz LYLDUGGUSFQAOM-UHFFFAOYSA-N -1 0 333.325 2.419 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000739622427 578061337 /nfs/dbraw/zinc/06/13/37/578061337.db2.gz BDUPZJRQBJVIRZ-JRBALWBOSA-N -1 0 334.250 2.418 20 5 EEBDRM CCC/C=C/C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000735209279 578140445 /nfs/dbraw/zinc/14/04/45/578140445.db2.gz YHSQXRNFDMEGEU-XBXARRHUSA-N -1 0 332.765 2.409 20 5 EEBDRM C[C@H](CN(C(=O)CSc1ccccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736561440 578211386 /nfs/dbraw/zinc/21/13/86/578211386.db2.gz DFRPWMSBESZEDO-SNVBAGLBSA-N -1 0 338.385 2.399 20 5 EEBDRM CCC(CC)[C@@H](O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736895558 578228838 /nfs/dbraw/zinc/22/88/38/578228838.db2.gz SWJQWFKZZYUSAE-LBPRGKRZSA-N -1 0 341.320 2.410 20 5 EEBDRM CCO[C@H](C)c1noc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000737156903 578241286 /nfs/dbraw/zinc/24/12/86/578241286.db2.gz IHRBNXDYUATOGB-MRVPVSSYSA-N -1 0 337.288 2.353 20 5 EEBDRM CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)[O-])cs1 ZINC000737314122 578249800 /nfs/dbraw/zinc/24/98/00/578249800.db2.gz NUBHZWDSAKQAEX-QPJJXVBHSA-N -1 0 347.352 2.355 20 5 EEBDRM CC(=O)N1CCc2cc(Nc3nccc(C(=O)[O-])c3[N+](=O)[O-])ccc21 ZINC000737541215 578263177 /nfs/dbraw/zinc/26/31/77/578263177.db2.gz YQRQDMKZQLCUAG-UHFFFAOYSA-N -1 0 342.311 2.341 20 5 EEBDRM O=C([O-])c1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000821553288 598180601 /nfs/dbraw/zinc/18/06/01/598180601.db2.gz JRRBFIACQQLHRG-UHFFFAOYSA-N -1 0 330.252 2.274 20 5 EEBDRM O=C([O-])c1ccnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000821552534 598218698 /nfs/dbraw/zinc/21/86/98/598218698.db2.gz ATQTWTOATKQWMI-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM O=C([O-])CCCc1nc(Cn2ccc3c2cccc3[N+](=O)[O-])no1 ZINC000833230039 600804911 /nfs/dbraw/zinc/80/49/11/600804911.db2.gz GWNQAKSHBCZZHJ-UHFFFAOYSA-N -1 0 330.300 2.388 20 5 EEBDRM COc1ccc(C)nc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832266369 601112675 /nfs/dbraw/zinc/11/26/75/601112675.db2.gz ZUNBLMAPLPWRPU-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H]2CCCc3[nH]ccc32)cc([N+](=O)[O-])c1 ZINC000833296468 601429640 /nfs/dbraw/zinc/42/96/40/601429640.db2.gz XHWAJNUGMZNUCX-AWEZNQCLSA-N -1 0 329.312 2.429 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCO[C@@H](c3ccco3)C2)cc([N+](=O)[O-])c1 ZINC000345785369 601505033 /nfs/dbraw/zinc/50/50/33/601505033.db2.gz DPYMYLGLKOCAFZ-CQSZACIVSA-N -1 0 346.295 2.100 20 5 EEBDRM O=C([O-])CCCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000821518696 601668714 /nfs/dbraw/zinc/66/87/14/601668714.db2.gz XFYPZOSRVLGPLS-UHFFFAOYSA-N -1 0 329.740 2.302 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2ccc3c(c2)COC3)cc([N+](=O)[O-])c1 ZINC000833298237 604445987 /nfs/dbraw/zinc/44/59/87/604445987.db2.gz QNCMSKPXOZJMCM-UHFFFAOYSA-N -1 0 342.307 2.253 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NC[C@@H](O)c2cccnc2)c([N+](=O)[O-])c1 ZINC000833197554 604464650 /nfs/dbraw/zinc/46/46/50/604464650.db2.gz REMMTABMLWLDTA-ZDTYVGOBSA-N -1 0 329.312 2.233 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000833211895 604468656 /nfs/dbraw/zinc/46/86/56/604468656.db2.gz QSKRNWWVPZEKOH-GFCCVEGCSA-N -1 0 347.371 2.274 20 5 EEBDRM O=C([O-])c1csc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000833344149 604816225 /nfs/dbraw/zinc/81/62/25/604816225.db2.gz COIAYEXSCZGONA-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000833638157 605287534 /nfs/dbraw/zinc/28/75/34/605287534.db2.gz LJKBPLFYHMNKLS-KCJUWKMLSA-N -1 0 330.287 2.302 20 5 EEBDRM CC(=O)NC1CCC(N(C)c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000833396308 605385897 /nfs/dbraw/zinc/38/58/97/605385897.db2.gz QTZCVCRLPPRSLR-UHFFFAOYSA-N -1 0 349.387 2.485 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)cc1[N+](=O)[O-] ZINC000135610609 679556655 /nfs/dbraw/zinc/55/66/55/679556655.db2.gz GFSUUAPZLUELNL-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000177585177 681391640 /nfs/dbraw/zinc/39/16/40/681391640.db2.gz UJYDFIGXHLBOLG-UHFFFAOYSA-N -1 0 340.382 2.337 20 5 EEBDRM O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1)c1ncccc1O ZINC001059613651 687401203 /nfs/dbraw/zinc/40/12/03/687401203.db2.gz MCNCHJFORKBWSL-AOOOYVTPSA-N -1 0 346.318 2.207 20 5 EEBDRM CC(C)(C)CC[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000263211590 689487764 /nfs/dbraw/zinc/48/77/64/689487764.db2.gz WSJCMEKNGFTVOO-ZDUSSCGKSA-N -1 0 338.360 2.369 20 5 EEBDRM O=C(N[C@@H]1CCc2ccccc2OC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436659958 694443752 /nfs/dbraw/zinc/44/37/52/694443752.db2.gz BKTCMIBCBUHGHN-GFCCVEGCSA-N -1 0 328.324 2.424 20 5 EEBDRM C[C@@H](CN1Cc2ccccc2C1=O)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000811100945 1199886454 /nfs/dbraw/zinc/88/64/54/1199886454.db2.gz NDNNTOUQGPEJQF-JTQLQIEISA-N -1 0 329.312 2.124 20 5 EEBDRM CCCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CCC ZINC000864085971 1210462627 /nfs/dbraw/zinc/46/26/27/1210462627.db2.gz HAWSJTFSKJUCPV-UHFFFAOYSA-N -1 0 329.378 2.022 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccnc(Cl)c1 ZINC000795627771 1214418205 /nfs/dbraw/zinc/41/82/05/1214418205.db2.gz AQUPVILWHLCNQN-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]Cc2ccoc2)c1 ZINC000795806105 1215074720 /nfs/dbraw/zinc/07/47/20/1215074720.db2.gz SPWADRLWCWTQIS-UHFFFAOYSA-N -1 0 334.712 2.459 20 5 EEBDRM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886074 1277379867 /nfs/dbraw/zinc/37/98/67/1277379867.db2.gz ORIWSXFNTLHWDW-YMTOWFKASA-N -1 0 344.364 2.365 20 5 EEBDRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850888018 1277381803 /nfs/dbraw/zinc/38/18/03/1277381803.db2.gz GIIRUXNBENBCMV-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C/c2ccccc2)ccc1[N+](=O)[O-] ZINC000115924287 1294038868 /nfs/dbraw/zinc/03/88/68/1294038868.db2.gz GLAPWJVFXIVMLL-JXMROGBWSA-N -1 0 346.364 2.422 20 5 EEBDRM Cn1ncc2ccc(-c3noc(-c4cnc([N+](=O)[O-])c([O-])c4)n3)cc21 ZINC001213596065 1296101276 /nfs/dbraw/zinc/10/12/76/1296101276.db2.gz KPFJEAYRFSCFHI-UHFFFAOYSA-N -1 0 338.283 2.299 20 5 EEBDRM CCOC(=O)[C@@H](CCc1ccccc1)Oc1[n-]c(=O)ncc1[N+](=O)[O-] ZINC001226333116 1301361075 /nfs/dbraw/zinc/36/10/75/1301361075.db2.gz YBKZQEZWUMYAFC-CYBMUJFWSA-N -1 0 347.327 2.034 20 5 EEBDRM CCOC(=O)[C@H](CC(C)C)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-] ZINC001227624992 1301914169 /nfs/dbraw/zinc/91/41/69/1301914169.db2.gz LRWKIYIABDNFDA-QMMMGPOBSA-N -1 0 345.377 2.169 20 5 EEBDRM COc1cccc(OC[C@H](C)Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001229382983 1302755692 /nfs/dbraw/zinc/75/56/92/1302755692.db2.gz YDVXFTWYRDJIDI-VIFPVBQESA-N -1 0 335.316 2.254 20 5 EEBDRM COCC(COC)Oc1cc2c3ccc(O)cc3oc(=O)c2cc1O ZINC001229804020 1302950228 /nfs/dbraw/zinc/95/02/28/1302950228.db2.gz VJLNTWRZUMTZRJ-UHFFFAOYSA-N -1 0 346.335 2.398 20 5 EEBDRM O=C(NC[C@H]1CCCN1CC(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000830973114 1314562309 /nfs/dbraw/zinc/56/23/09/1314562309.db2.gz KFSVPQUEARRPQL-SNVBAGLBSA-N -1 0 347.293 2.057 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC001601821361 1350372384 /nfs/dbraw/zinc/37/23/84/1350372384.db2.gz OAHIXTNNGQRSCY-RBSFLKMASA-N -1 0 332.356 2.239 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001605059567 1351069146 /nfs/dbraw/zinc/06/91/46/1351069146.db2.gz DTLXJDXQPGZOGE-JZLYGMAVSA-N -1 0 332.356 2.239 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)CSC(F)(F)F)cc1[N+](=O)[O-] ZINC001608353866 1351677254 /nfs/dbraw/zinc/67/72/54/1351677254.db2.gz DSIWAMDHTQNZFF-UHFFFAOYSA-N -1 0 325.220 2.451 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001608354024 1351677289 /nfs/dbraw/zinc/67/72/89/1351677289.db2.gz FGYYZMGHLCLQEB-BDAKNGLRSA-N -1 0 344.776 2.320 20 5 EEBDRM O=C([O-])C1(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCCC1 ZINC001608577522 1351719321 /nfs/dbraw/zinc/71/93/21/1351719321.db2.gz DIQGPYNRTQLRIX-UHFFFAOYSA-N -1 0 348.402 2.112 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001608594498 1351722243 /nfs/dbraw/zinc/72/22/43/1351722243.db2.gz HBZRJNROLLILSM-XJBGLIRHSA-N -1 0 344.367 2.410 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001608649389 1351733197 /nfs/dbraw/zinc/73/31/97/1351733197.db2.gz BUPHYFQNEJDGCX-JTQLQIEISA-N -1 0 330.793 2.498 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001608696414 1351744013 /nfs/dbraw/zinc/74/40/13/1351744013.db2.gz YJFXGRRISWDBBJ-GFCCVEGCSA-N -1 0 344.327 2.064 20 5 EEBDRM O=C([O-])[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])Oc1ccccc1 ZINC001608800454 1351766459 /nfs/dbraw/zinc/76/64/59/1351766459.db2.gz WQEIODUYNYLTIO-CYBMUJFWSA-N -1 0 347.283 2.447 20 5 EEBDRM O=C([O-])c1c[nH]c(=O)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001608831467 1351774062 /nfs/dbraw/zinc/77/40/62/1351774062.db2.gz IPLOATGBDAEKAM-UHFFFAOYSA-N -1 0 337.675 2.299 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CC12CCOCC2 ZINC001608863716 1351780817 /nfs/dbraw/zinc/78/08/17/1351780817.db2.gz QMWSAEBTVZRVOM-NSHDSACASA-N -1 0 337.288 2.182 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCC[C@]1(O)CCCOC1 ZINC001608862836 1351780987 /nfs/dbraw/zinc/78/09/87/1351780987.db2.gz NIWLXRGWLMSOCU-CQSZACIVSA-N -1 0 344.751 2.290 20 5 EEBDRM O=C([O-])c1ccc2[nH]c(CNC(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC001608917663 1351793967 /nfs/dbraw/zinc/79/39/67/1351793967.db2.gz ZWUYOBHEOWGIMH-UHFFFAOYSA-N -1 0 340.295 2.099 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC001608953114 1351802306 /nfs/dbraw/zinc/80/23/06/1351802306.db2.gz OUQFIPILMBSRHU-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC(F)(F)C1 ZINC001321696255 1333144932 /nfs/dbraw/zinc/14/49/32/1333144932.db2.gz LLUXITZNNWZZAC-SECBINFHSA-N -1 0 348.327 2.225 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322698562 1333309344 /nfs/dbraw/zinc/30/93/44/1333309344.db2.gz IQVLIILNZCPXRQ-UHFFFAOYSA-N -1 0 329.268 2.365 20 5 EEBDRM O=C(Nc1nnc(-c2ccncc2)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001323578500 1333491390 /nfs/dbraw/zinc/49/13/90/1333491390.db2.gz YLJKOHVGXJJGGA-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)C(C)(C)C ZINC001326328671 1334069542 /nfs/dbraw/zinc/06/95/42/1334069542.db2.gz HYORKNLLNOWEBM-GFCCVEGCSA-N -1 0 342.417 2.408 20 5 EEBDRM C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)C[C@@H](C)S1 ZINC001338058069 1336783177 /nfs/dbraw/zinc/78/31/77/1336783177.db2.gz ADUVIYFGOIRERO-NXEZZACHSA-N -1 0 349.416 2.426 20 5 EEBDRM CC[C@@H](C)C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001609903122 1352115867 /nfs/dbraw/zinc/11/58/67/1352115867.db2.gz BTKMHPIMDADFIP-AMIZOPFISA-N -1 0 344.314 2.421 20 5 EEBDRM CN(c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C)[C@H]1CCSC1 ZINC001341594388 1337295043 /nfs/dbraw/zinc/29/50/43/1337295043.db2.gz WOTVCWJPEZBFMQ-VIFPVBQESA-N -1 0 335.389 2.038 20 5 EEBDRM CN(CCc1ccccn1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610119745 1352166619 /nfs/dbraw/zinc/16/66/19/1352166619.db2.gz HLNVCZBFIHSSHR-UHFFFAOYSA-N -1 0 329.312 2.003 20 5 EEBDRM COC(=O)c1c(Cl)c(N(C)C[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610195184 1352182733 /nfs/dbraw/zinc/18/27/33/1352182733.db2.gz DOVXNQDMOMFMSN-SSDOTTSWSA-N -1 0 330.724 2.192 20 5 EEBDRM CC(C)CCCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892767 1338365842 /nfs/dbraw/zinc/36/58/42/1338365842.db2.gz JIGHRFBXPDSZNW-UHFFFAOYSA-N -1 0 343.405 2.401 20 5 EEBDRM Cc1cscc1CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001610548589 1352243056 /nfs/dbraw/zinc/24/30/56/1352243056.db2.gz UUNOSPPMNROMIQ-UHFFFAOYSA-N -1 0 349.368 2.391 20 5 EEBDRM Cn1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1C(=O)[O-] ZINC001610606516 1352253308 /nfs/dbraw/zinc/25/33/08/1352253308.db2.gz VQSUBVOSQYTYHI-UHFFFAOYSA-N -1 0 344.327 2.222 20 5 EEBDRM O=C([O-])c1cc(OCc2nncn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC001610815919 1352279632 /nfs/dbraw/zinc/27/96/32/1352279632.db2.gz BAMANQOSMSORHC-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@@H](CO)Oc3ccccc32)c1 ZINC001610840025 1352283355 /nfs/dbraw/zinc/28/33/55/1352283355.db2.gz ICPYXCLAGITZPR-ZDUSSCGKSA-N -1 0 344.323 2.053 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CN(c3ccc(F)cc3)C2=O)c1 ZINC001610841354 1352283537 /nfs/dbraw/zinc/28/35/37/1352283537.db2.gz AJJMZBKZAYLZOL-ZDUSSCGKSA-N -1 0 345.286 2.259 20 5 EEBDRM O=C([O-])c1cccc(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC001610845215 1352284306 /nfs/dbraw/zinc/28/43/06/1352284306.db2.gz NSZZMQDWRXXJJN-UHFFFAOYSA-N -1 0 338.222 2.323 20 5 EEBDRM Cc1c(NC(=O)C[C@H](C)n2ccnc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600033515 1349958395 /nfs/dbraw/zinc/95/83/95/1349958395.db2.gz NQJAJJDZOZJMTE-VIFPVBQESA-N -1 0 332.316 2.388 20 5 EEBDRM Cc1cc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC001600206799 1349993039 /nfs/dbraw/zinc/99/30/39/1349993039.db2.gz XYDTUFLSFJEMFX-INIZCTEOSA-N -1 0 334.328 2.192 20 5 EEBDRM Cc1cc(N2CCC(O)(C3(C(=O)[O-])CCC3)CC2)ccc1[N+](=O)[O-] ZINC001600238914 1349999120 /nfs/dbraw/zinc/99/91/20/1349999120.db2.gz KLHDAUJYUQAVST-UHFFFAOYSA-N -1 0 334.372 2.489 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@](C)(C(=O)[O-])C1 ZINC001600552232 1350080359 /nfs/dbraw/zinc/08/03/59/1350080359.db2.gz SSQNGUVEEAAKON-INIZCTEOSA-N -1 0 335.360 2.028 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC001600748475 1350127119 /nfs/dbraw/zinc/12/71/19/1350127119.db2.gz SXLCIMKZKGUOEA-UHFFFAOYSA-N -1 0 334.259 2.493 20 5 EEBDRM Cc1oc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1C(=O)[O-] ZINC001600854817 1350152651 /nfs/dbraw/zinc/15/26/51/1350152651.db2.gz HQSWQCWMXXHKGZ-UHFFFAOYSA-N -1 0 338.247 2.273 20 5 EEBDRM Nc1ccc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001601215011 1350233144 /nfs/dbraw/zinc/23/31/44/1350233144.db2.gz WEMOBACHNOGAHP-UHFFFAOYSA-N -1 0 341.323 2.074 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC001601240554 1350239537 /nfs/dbraw/zinc/23/95/37/1350239537.db2.gz ODXJKPJXJIUXJY-FSNWXROXSA-N -1 0 342.307 2.256 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccnc1 ZINC001601402923 1350275394 /nfs/dbraw/zinc/27/53/94/1350275394.db2.gz BIPZAUDANAZCNH-LBPRGKRZSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001601408308 1350277655 /nfs/dbraw/zinc/27/76/55/1350277655.db2.gz GEZHNIICYZPICA-MWLCHTKSSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC001601576080 1350310840 /nfs/dbraw/zinc/31/08/40/1350310840.db2.gz KGABFWMTLSLLHL-OYBPUVFXSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])c1cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2s1 ZINC001601621052 1350321409 /nfs/dbraw/zinc/32/14/09/1350321409.db2.gz DRSJBYSMBHFKQA-UHFFFAOYSA-N -1 0 332.297 2.483 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001601895402 1350392227 /nfs/dbraw/zinc/39/22/27/1350392227.db2.gz QDMFACHBRVIBLN-LLVKDONJSA-N -1 0 338.385 2.304 20 5 EEBDRM O=C([O-])CCNC(=O)c1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC001602024330 1350420599 /nfs/dbraw/zinc/42/05/99/1350420599.db2.gz MGQQSDVXYMMLNR-UHFFFAOYSA-N -1 0 349.368 2.473 20 5 EEBDRM O=C([O-])COc1ccc(CN2CCC[C@H]2c2ncc[nH]2)cc1[N+](=O)[O-] ZINC001602081938 1350432620 /nfs/dbraw/zinc/43/26/20/1350432620.db2.gz FCULPDRRSWBVLP-LBPRGKRZSA-N -1 0 346.343 2.118 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](F)CN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001602197007 1350463389 /nfs/dbraw/zinc/46/33/89/1350463389.db2.gz DUZWDIXRHSXTLW-KWQFWETISA-N -1 0 347.140 2.354 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)nn1 ZINC001602371915 1350505611 /nfs/dbraw/zinc/50/56/11/1350505611.db2.gz FUNHBKYGDIWOCJ-UHFFFAOYSA-N -1 0 342.311 2.143 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC001602403649 1350511462 /nfs/dbraw/zinc/51/14/62/1350511462.db2.gz KZZCCIOJUOVUKX-AWEZNQCLSA-N -1 0 334.303 2.255 20 5 EEBDRM O=C([O-])c1ccnc(NCCN2CCc3ccccc32)c1[N+](=O)[O-] ZINC001602483846 1350529846 /nfs/dbraw/zinc/52/98/46/1350529846.db2.gz HIPVRLFTKAPIHB-UHFFFAOYSA-N -1 0 328.328 2.163 20 5 EEBDRM O=C([O-])/C(=C/c1cc([N+](=O)[O-])ccc1Cl)CN1CCC(=O)CC1 ZINC001602646132 1350564983 /nfs/dbraw/zinc/56/49/83/1350564983.db2.gz AFDQJPVDSABQDE-YRNVUSSQSA-N -1 0 338.747 2.381 20 5 EEBDRM C[C@@H](NCc1ccc(-c2nn[nH]n2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC001603668454 1350738378 /nfs/dbraw/zinc/73/83/78/1350738378.db2.gz VWNGWXUTBGHGFH-SNVBAGLBSA-N -1 0 325.332 2.021 20 5 EEBDRM CC(C)Oc1ccccc1Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O ZINC001603952096 1350812563 /nfs/dbraw/zinc/81/25/63/1350812563.db2.gz IWOZYGNNGCKDGI-UHFFFAOYSA-N -1 0 332.312 2.290 20 5 EEBDRM C[C@H](CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CC1)C(=O)[O-] ZINC001604150102 1350875005 /nfs/dbraw/zinc/87/50/05/1350875005.db2.gz RSCNJXMKOUXSDY-SSDOTTSWSA-N -1 0 328.271 2.198 20 5 EEBDRM C[C@@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)C(C)(C)C(=O)[O-] ZINC001604408567 1350931707 /nfs/dbraw/zinc/93/17/07/1350931707.db2.gz FFFPFIGUXXUUTN-ZCFIWIBFSA-N -1 0 345.254 2.098 20 5 EEBDRM CC[C@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C1CC1 ZINC001604913558 1351030961 /nfs/dbraw/zinc/03/09/61/1351030961.db2.gz CJSLUXYQACLEKT-AWEZNQCLSA-N -1 0 342.373 2.150 20 5 EEBDRM CC[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(=O)[O-] ZINC001605033137 1351063472 /nfs/dbraw/zinc/06/34/72/1351063472.db2.gz ITBZSSMSIQYNGP-ZCFIWIBFSA-N -1 0 330.728 2.063 20 5 EEBDRM CCOC(=O)c1cnc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1 ZINC001605578028 1351193126 /nfs/dbraw/zinc/19/31/26/1351193126.db2.gz NRPXQZOXLBEISL-UHFFFAOYSA-N -1 0 333.256 2.052 20 5 EEBDRM CCOC[C@@H]1CCCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001605623523 1351203507 /nfs/dbraw/zinc/20/35/07/1351203507.db2.gz JJKWBQNDKPENOQ-ZDUSSCGKSA-N -1 0 336.344 2.324 20 5 EEBDRM CCc1ncc(CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)o1 ZINC001605861295 1351240153 /nfs/dbraw/zinc/24/01/53/1351240153.db2.gz NNBGADPZLNEHBH-UHFFFAOYSA-N -1 0 348.315 2.474 20 5 EEBDRM Cc1cccc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)n1 ZINC001605913754 1351252556 /nfs/dbraw/zinc/25/25/56/1351252556.db2.gz XPUUTVUYVBZVIU-UHFFFAOYSA-N -1 0 325.332 2.133 20 5 EEBDRM COC(=O)c1c(Cl)c(N[C@H]2C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001606527839 1351317627 /nfs/dbraw/zinc/31/76/27/1351317627.db2.gz SGYYXKPSMMQLDT-LJGSYFOKSA-N -1 0 328.708 2.310 20 5 EEBDRM COC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)[C@H]1CCCOC1 ZINC001606819638 1351360728 /nfs/dbraw/zinc/36/07/28/1351360728.db2.gz UYNALNKFLYLWCN-SMDDNHRTSA-N -1 0 338.360 2.455 20 5 EEBDRM COc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc([N+](=O)[O-])c1C ZINC001607085087 1351411881 /nfs/dbraw/zinc/41/18/81/1351411881.db2.gz MQLVHIFGRFYTHY-JHEVNIALSA-N -1 0 348.355 2.141 20 5 EEBDRM Cc1c(CC(=O)Nc2cccc(C(=O)[O-])c2O)cccc1[N+](=O)[O-] ZINC001607526125 1351511021 /nfs/dbraw/zinc/51/10/21/1351511021.db2.gz ITOMCCXQPSKNDN-UHFFFAOYSA-N -1 0 330.296 2.488 20 5 EEBDRM Cc1cc(C(=O)NCc2ccc(C(=O)[O-])s2)c(N)c([N+](=O)[O-])c1 ZINC001607579215 1351518677 /nfs/dbraw/zinc/51/86/77/1351518677.db2.gz BHZXFKGBOPGRIG-UHFFFAOYSA-N -1 0 335.341 2.175 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(c3ncccn3)CC2)n1 ZINC001607589375 1351520477 /nfs/dbraw/zinc/52/04/77/1351520477.db2.gz VPMYINMLAIXGLN-UHFFFAOYSA-N -1 0 343.343 2.170 20 5 EEBDRM Cc1nn(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C(=O)[O-] ZINC001607621137 1351526635 /nfs/dbraw/zinc/52/66/35/1351526635.db2.gz OUWFTJIIXDLVMI-UHFFFAOYSA-N -1 0 332.316 2.204 20 5 EEBDRM Cc1cc(NC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)cc([N+](=O)[O-])c1 ZINC001607684964 1351539186 /nfs/dbraw/zinc/53/91/86/1351539186.db2.gz UUPRIGHDZHZLMS-OAHLLOKOSA-N -1 0 337.332 2.049 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)CN2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001608337037 1351673512 /nfs/dbraw/zinc/67/35/12/1351673512.db2.gz FSGCWTKPPRNTFN-UHFFFAOYSA-N -1 0 341.323 2.247 20 5 EEBDRM O=C([O-])c1ccccc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC001608347417 1351675746 /nfs/dbraw/zinc/67/57/46/1351675746.db2.gz KFMPMYZTLVQZIV-UHFFFAOYSA-N -1 0 344.279 2.089 20 5 EEBDRM O=C(Nc1cn[nH]c1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798159761 1371571765 /nfs/dbraw/zinc/57/17/65/1371571765.db2.gz ZLOGDAZEXWZUPU-UHFFFAOYSA-N -1 0 348.706 2.115 20 5 EEBDRM Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CC[C@@H](C2CC2)C1 ZINC001121371873 1371873141 /nfs/dbraw/zinc/87/31/41/1371873141.db2.gz QCFWICQSZWHELI-LLVKDONJSA-N -1 0 329.360 2.332 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C1CCC1 ZINC000835157668 760186257 /nfs/dbraw/zinc/18/62/57/760186257.db2.gz ZCCKUTYPSLIKTH-UHFFFAOYSA-N -1 0 332.403 2.288 20 5 EEBDRM Cc1cscc1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000175079276 773447824 /nfs/dbraw/zinc/44/78/24/773447824.db2.gz VWOMXRHGNKAZEG-UHFFFAOYSA-N -1 0 340.382 2.225 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@@H]1C(F)(F)F ZINC000912079171 787965533 /nfs/dbraw/zinc/96/55/33/787965533.db2.gz KXZKWDSNRSYEPA-SNVBAGLBSA-N -1 0 340.641 2.315 20 5 EEBDRM CCCO[N-]C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000844088138 788834512 /nfs/dbraw/zinc/83/45/12/788834512.db2.gz JNPMGABXUUIOEW-UHFFFAOYSA-N -1 0 346.181 2.251 20 5 EEBDRM COCc1cc([N+](=O)[O-])ccc1N1CCC[C@](COC)(C(=O)[O-])C1 ZINC000844219403 788909700 /nfs/dbraw/zinc/90/97/00/788909700.db2.gz VAYFVDJLBCPQRN-INIZCTEOSA-N -1 0 338.360 2.059 20 5 EEBDRM O=C([O-])C1(O)CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000844219679 788910088 /nfs/dbraw/zinc/91/00/88/788910088.db2.gz XJVITUNHHFAALL-UHFFFAOYSA-N -1 0 334.250 2.030 20 5 EEBDRM CCO[N-]C(=O)CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000845713826 789922800 /nfs/dbraw/zinc/92/28/00/789922800.db2.gz PASSYHFAKYHQJK-UHFFFAOYSA-N -1 0 346.343 2.048 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC000846135453 790072054 /nfs/dbraw/zinc/07/20/54/790072054.db2.gz CXOQMRFHJZXTJV-YYCKWKRISA-N -1 0 330.340 2.177 20 5 EEBDRM O=C(Nc1n[nH]c(-c2cccs2)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000917127970 798114039 /nfs/dbraw/zinc/11/40/39/798114039.db2.gz UXRZUGPVIWZDJS-UHFFFAOYSA-N -1 0 331.313 2.399 20 5 EEBDRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000797144749 800400000 /nfs/dbraw/zinc/40/00/00/800400000.db2.gz MMDIDARDPIHBNZ-SNVBAGLBSA-N -1 0 344.389 2.235 20 5 EEBDRM O=C([N-]CCNc1nc(Cl)cc(Cl)c1[N+](=O)[O-])C(F)(F)F ZINC001156200302 803378262 /nfs/dbraw/zinc/37/82/62/803378262.db2.gz SRAXANSUWBRSFK-UHFFFAOYSA-N -1 0 347.080 2.387 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]n2cnc3ccccc3c2=O)c1F ZINC000788127544 807382592 /nfs/dbraw/zinc/38/25/92/807382592.db2.gz SIVXAUJYJZTESI-UHFFFAOYSA-N -1 0 342.286 2.136 20 5 EEBDRM O=C1OCc2c1cccc2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000808128302 812448544 /nfs/dbraw/zinc/44/85/44/812448544.db2.gz OBDWRUCUYHFURR-UHFFFAOYSA-N -1 0 334.309 2.066 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000262769796 939070962 /nfs/dbraw/zinc/07/09/62/939070962.db2.gz MEKOIKMYCSEJKY-GFCCVEGCSA-N -1 0 344.776 2.320 20 5 EEBDRM O=C([O-])CCCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001595043676 951436560 /nfs/dbraw/zinc/43/65/60/951436560.db2.gz ZXNOJCVECNBPMH-UHFFFAOYSA-N -1 0 345.149 2.342 20 5 EEBDRM Nc1c(C(=O)NCCCCCC(=O)[O-])cc(Cl)c(F)c1[N+](=O)[O-] ZINC001594659006 956513983 /nfs/dbraw/zinc/51/39/83/956513983.db2.gz GFKIUNWREDUHAY-UHFFFAOYSA-N -1 0 347.730 2.344 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001594710287 956877132 /nfs/dbraw/zinc/87/71/32/956877132.db2.gz OXZMHKCKDNEUCS-UHFFFAOYSA-N -1 0 346.251 2.349 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000093433722 958246257 /nfs/dbraw/zinc/24/62/57/958246257.db2.gz OIFPWTXJKOXIPM-POYBYMJQSA-N -1 0 330.138 2.052 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594112840 958534904 /nfs/dbraw/zinc/53/49/04/958534904.db2.gz WALMPDIRTIDUOZ-NWDGAFQWSA-N -1 0 349.343 2.178 20 5 EEBDRM Cc1cc(-c2noc(-c3cnc(C(=O)[O-])cn3)n2)cc([N+](=O)[O-])c1 ZINC001594268234 959765713 /nfs/dbraw/zinc/76/57/13/959765713.db2.gz NFKJFZRLSCVMMQ-UHFFFAOYSA-N -1 0 327.256 2.108 20 5 EEBDRM O=C([O-])[C@H](C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC001574616369 962223106 /nfs/dbraw/zinc/22/31/06/962223106.db2.gz IJXZKXWHOXCNGJ-JTQLQIEISA-N -1 0 343.133 2.407 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001604189721 972623006 /nfs/dbraw/zinc/62/30/06/972623006.db2.gz FRPZDYCBOPVMJG-UHFFFAOYSA-N -1 0 330.300 2.352 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001603360467 972825311 /nfs/dbraw/zinc/82/53/11/972825311.db2.gz SFLJTWXLCQXMEH-JQWIXIFHSA-N -1 0 345.355 2.188 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C(=O)[O-] ZINC001603425119 973142670 /nfs/dbraw/zinc/14/26/70/973142670.db2.gz DWSRBNZFYLGJQB-GXSJLCMTSA-N -1 0 331.328 2.259 20 5 EEBDRM O=C([O-])c1ccc(/C=C\C(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC001606483283 973965245 /nfs/dbraw/zinc/96/52/45/973965245.db2.gz SHPBWRICVOMCIO-XQRVVYSFSA-N -1 0 328.280 2.489 20 5 EEBDRM CCOc1cc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603860018 974359599 /nfs/dbraw/zinc/35/95/99/974359599.db2.gz DQQGDXHCZQLCJZ-SECBINFHSA-N -1 0 325.321 2.178 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001592291992 977626729 /nfs/dbraw/zinc/62/67/29/977626729.db2.gz YYNYJNOJDAIUDL-KRWDZBQOSA-N -1 0 343.339 2.039 20 5 EEBDRM C[C@](CCF)(NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001592496664 978296078 /nfs/dbraw/zinc/29/60/78/978296078.db2.gz XBJMWBAUBJWSAH-CQSZACIVSA-N -1 0 346.742 2.500 20 5 EEBDRM C[C@H](CN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001592564091 978457406 /nfs/dbraw/zinc/45/74/06/978457406.db2.gz RUSPWVSSGYPPKI-SECBINFHSA-N -1 0 326.324 2.191 20 5 EEBDRM CC[C@@H](C[C@@H](C)O)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595036602 979197943 /nfs/dbraw/zinc/19/79/43/979197943.db2.gz WCVHWXXRZDEKBP-KCJUWKMLSA-N -1 0 339.348 2.272 20 5 EEBDRM C[C@@H](COCc1ccccc1)Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O ZINC001592780361 979409490 /nfs/dbraw/zinc/40/94/90/979409490.db2.gz FDMXNIMMFAMPLK-GFCCVEGCSA-N -1 0 346.339 2.308 20 5 EEBDRM CC[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001595135380 979575307 /nfs/dbraw/zinc/57/53/07/979575307.db2.gz QPMLPMUCTTZRAE-SECBINFHSA-N -1 0 326.324 2.239 20 5 EEBDRM CC[C@](CNC(=O)c1ccc([N+](=O)[O-])n1C)(C(=O)[O-])c1ccccc1 ZINC001595164001 979704937 /nfs/dbraw/zinc/70/49/37/979704937.db2.gz HYMPMNQIHIJJBO-QGZVFWFLSA-N -1 0 345.355 2.096 20 5 EEBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cn(C)nc1[N+](=O)[O-] ZINC001595362338 980770069 /nfs/dbraw/zinc/77/00/69/980770069.db2.gz BCJUQUMADKIPAO-AWEZNQCLSA-N -1 0 332.360 2.366 20 5 EEBDRM CC[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@@H]1C ZINC001595464656 981151259 /nfs/dbraw/zinc/15/12/59/981151259.db2.gz SYWMBOIJVGAMBJ-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM CCCc1cc(Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])n2ncnc2n1 ZINC001596059023 983367109 /nfs/dbraw/zinc/36/71/09/983367109.db2.gz USRCWQHJNBQUNB-UHFFFAOYSA-N -1 0 343.299 2.476 20 5 EEBDRM C[C@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001599894453 984735595 /nfs/dbraw/zinc/73/55/95/984735595.db2.gz WCEFZHJYLOVRJZ-FASAMLHVSA-N -1 0 347.371 2.454 20 5 EEBDRM CC(=O)Nc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001589194490 985607741 /nfs/dbraw/zinc/60/77/41/985607741.db2.gz AEHFLLSSCSDGHD-UHFFFAOYSA-N -1 0 330.300 2.259 20 5 EEBDRM CC(=O)[C@H]1CC[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001589234630 985793325 /nfs/dbraw/zinc/79/33/25/985793325.db2.gz VYPZSXPYCZAALF-MJHDQNEOSA-N -1 0 334.328 2.171 20 5 EEBDRM CCOc1cc(NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001597043073 986498213 /nfs/dbraw/zinc/49/82/13/986498213.db2.gz LMKBBPLOJCYYCK-RBIVETJNSA-N -1 0 349.343 2.368 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001597163657 986975785 /nfs/dbraw/zinc/97/57/85/986975785.db2.gz LETGNLDXOJBQLO-GHMZBOCLSA-N -1 0 336.344 2.176 20 5 EEBDRM CCC(=O)c1ccc(N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001594717353 987193721 /nfs/dbraw/zinc/19/37/21/987193721.db2.gz WNZRGSNIRULAPX-YVEFUNNKSA-N -1 0 348.355 2.115 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001589584742 987379640 /nfs/dbraw/zinc/37/96/40/987379640.db2.gz JITSMGXLZXJIGJ-UHFFFAOYSA-N -1 0 329.692 2.085 20 5 EEBDRM CC(C)(C)C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC001589745565 988040380 /nfs/dbraw/zinc/04/03/80/988040380.db2.gz PCWFLKLQDCIAPK-LLVKDONJSA-N -1 0 326.324 2.282 20 5 EEBDRM CC(C)(C)C[C@H](OC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)[O-] ZINC001589761908 988093530 /nfs/dbraw/zinc/09/35/30/988093530.db2.gz QWYCDBQCEJISHF-NSHDSACASA-N -1 0 328.296 2.362 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001597563613 988316725 /nfs/dbraw/zinc/31/67/25/988316725.db2.gz QDTGWJBUJDSLHJ-WCQYABFASA-N -1 0 336.344 2.366 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001599862782 989196999 /nfs/dbraw/zinc/19/69/99/989196999.db2.gz DGUKBXFQVJVWFI-GMSGAONNSA-N -1 0 346.261 2.406 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)n1 ZINC001597899764 989771720 /nfs/dbraw/zinc/77/17/20/989771720.db2.gz REACPKOSSHAFOO-UHFFFAOYSA-N -1 0 332.316 2.379 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)[O-])c2Cl)n1 ZINC001597900342 989774396 /nfs/dbraw/zinc/77/43/96/989774396.db2.gz ZOWKZLMVAWNGOH-UHFFFAOYSA-N -1 0 338.707 2.415 20 5 EEBDRM CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598118819 990531379 /nfs/dbraw/zinc/53/13/79/990531379.db2.gz OSVMKXQOMMGMHO-ZYHUDNBSSA-N -1 0 335.360 2.352 20 5 EEBDRM COc1cccc(C(=O)NCc2cc(C)c(C(=O)[O-])o2)c1[N+](=O)[O-] ZINC001599642567 994379077 /nfs/dbraw/zinc/37/90/77/994379077.db2.gz UNBGPDCIZJQRSF-UHFFFAOYSA-N -1 0 334.284 2.133 20 5 EEBDRM CO[C@@]1(C(F)(F)F)CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001599084525 997072083 /nfs/dbraw/zinc/07/20/83/997072083.db2.gz VYYUAPIJZHMXOM-LBPRGKRZSA-N -1 0 349.265 2.236 20 5 EEBDRM COC(=O)[C@@]1(C)CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1C ZINC001598903634 997220840 /nfs/dbraw/zinc/22/08/40/997220840.db2.gz JEKNUPBWOTXDAY-QFYYESIMSA-N -1 0 336.344 2.237 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001594152832 998543975 /nfs/dbraw/zinc/54/39/75/998543975.db2.gz JQEGWEZDTDQPTQ-GZMMTYOYSA-N -1 0 341.751 2.253 20 5 EEBDRM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594446915 999640670 /nfs/dbraw/zinc/64/06/70/999640670.db2.gz DNHBNXBKMCQYJV-RMLUDKJBSA-N -1 0 344.327 2.321 20 5 EEBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000261629650 201194977 /nfs/dbraw/zinc/19/49/77/201194977.db2.gz HEUWLJDMLGHAAD-CYBMUJFWSA-N -1 0 346.261 2.003 20 5 EEBDRM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000022514285 212303230 /nfs/dbraw/zinc/30/32/30/212303230.db2.gz ZXMDCKDNXWOPTM-UHFFFAOYSA-N -1 0 349.368 2.097 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424398557 240924998 /nfs/dbraw/zinc/92/49/98/240924998.db2.gz AMORRYYURWXZEY-UHFFFAOYSA-N -1 0 337.376 2.280 20 5 EEBDRM CCC[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263471338 283894475 /nfs/dbraw/zinc/89/44/75/283894475.db2.gz XZBFHNVILRTLMA-JTQLQIEISA-N -1 0 332.715 2.299 20 5 EEBDRM Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)nc12 ZINC000072290877 203194855 /nfs/dbraw/zinc/19/48/55/203194855.db2.gz ZEDCCXKQGWZJFI-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000456522861 244279890 /nfs/dbraw/zinc/27/98/90/244279890.db2.gz DWYGCBGSGLGUSB-MLGOLLRUSA-N -1 0 343.339 2.346 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n(C)n1 ZINC000089282816 203572187 /nfs/dbraw/zinc/57/21/87/203572187.db2.gz SFUHCTGYUGTZSJ-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM C[C@@]1(NC(=O)COc2ccccc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC000262715819 245139498 /nfs/dbraw/zinc/13/94/98/245139498.db2.gz DOCOQAXCXOKLQJ-BDJLRTHQSA-N -1 0 336.344 2.123 20 5 EEBDRM C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[C@H]1C(=O)[O-] ZINC000262883813 245231309 /nfs/dbraw/zinc/23/13/09/245231309.db2.gz HAMFCWZONQRNBY-GXSJLCMTSA-N -1 0 331.328 2.259 20 5 EEBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1n1ccnc1 ZINC000125582744 205015547 /nfs/dbraw/zinc/01/55/47/205015547.db2.gz OPCGDGNABAKTPL-FZMZJTMJSA-N -1 0 330.344 2.220 20 5 EEBDRM CCCNC(=O)CCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181537963 207955756 /nfs/dbraw/zinc/95/57/56/207955756.db2.gz KZUBLUYFFSPINT-UHFFFAOYSA-N -1 0 329.740 2.199 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)c([N+](=O)[O-])c1 ZINC000131313191 533075348 /nfs/dbraw/zinc/07/53/48/533075348.db2.gz TUZFZSHMKIALMG-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM CC(C)(C)OC(=O)N1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273185127 256273854 /nfs/dbraw/zinc/27/38/54/256273854.db2.gz FRYNBKYORNIQBQ-UHFFFAOYSA-N -1 0 337.332 2.106 20 5 EEBDRM COc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000262919765 152339074 /nfs/dbraw/zinc/33/90/74/152339074.db2.gz GRTJCISBUPDWEM-NXEZZACHSA-N -1 0 348.277 2.298 20 5 EEBDRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000263058070 152366215 /nfs/dbraw/zinc/36/62/15/152366215.db2.gz GCNYGKYJNGPWDZ-LBPRGKRZSA-N -1 0 332.312 2.394 20 5 EEBDRM Cc1ccc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000261650242 160404977 /nfs/dbraw/zinc/40/49/77/160404977.db2.gz JNJYZTBECHBIHP-ZDUSSCGKSA-N -1 0 346.261 2.382 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000262104207 160439130 /nfs/dbraw/zinc/43/91/30/160439130.db2.gz CSXATWGORQTXPI-RNCFNFMXSA-N -1 0 338.385 2.445 20 5 EEBDRM CN(C)C(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000092545910 159222307 /nfs/dbraw/zinc/22/23/07/159222307.db2.gz GGIAYUQBWIMAMQ-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM Cc1cncc(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000120921916 159396138 /nfs/dbraw/zinc/39/61/38/159396138.db2.gz PSAIZHXEKCEFHB-UHFFFAOYSA-N -1 0 335.385 2.394 20 5 EEBDRM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000184460547 160008397 /nfs/dbraw/zinc/00/83/97/160008397.db2.gz AWWBQBIZRWXFFO-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM COc1ccnc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000191783565 160162606 /nfs/dbraw/zinc/16/26/06/160162606.db2.gz NPIMTYZANAZMAT-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1OC ZINC000357998701 163809501 /nfs/dbraw/zinc/80/95/01/163809501.db2.gz LVVMTJPHVUDESZ-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1[N+](=O)[O-] ZINC000359847142 164184157 /nfs/dbraw/zinc/18/41/57/164184157.db2.gz HEZKKLKHWWCSIC-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM CO[C@H](C)c1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cs1 ZINC000274849749 269063142 /nfs/dbraw/zinc/06/31/42/269063142.db2.gz UAVVDLZQOFHUPX-MRVPVSSYSA-N -1 0 337.357 2.394 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)ccc1[N+](=O)[O-] ZINC000172184130 273990637 /nfs/dbraw/zinc/99/06/37/273990637.db2.gz YWASYPFPRNCRAE-UHFFFAOYSA-N -1 0 347.352 2.199 20 5 EEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000288727798 275082642 /nfs/dbraw/zinc/08/26/42/275082642.db2.gz ZNRVRVMXHHTZJY-NSHDSACASA-N -1 0 338.307 2.355 20 5 EEBDRM COC(=O)C1(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000290504470 275213312 /nfs/dbraw/zinc/21/33/12/275213312.db2.gz HXRJJPKYBTZILL-UHFFFAOYSA-N -1 0 342.373 2.070 20 5 EEBDRM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)c2F)n1 ZINC000284103951 293031922 /nfs/dbraw/zinc/03/19/22/293031922.db2.gz GGDHKXNCDZGJRM-UHFFFAOYSA-N -1 0 326.309 2.293 20 5 EEBDRM COc1cc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000262876259 294943743 /nfs/dbraw/zinc/94/37/43/294943743.db2.gz XCROWJSASSGKAW-BDJLRTHQSA-N -1 0 336.344 2.367 20 5 EEBDRM COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c(C(=O)[O-])c1 ZINC000342580815 312264365 /nfs/dbraw/zinc/26/43/65/312264365.db2.gz XXCUGMNLHILNOV-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM CCC(CC)(CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000424446364 314306589 /nfs/dbraw/zinc/30/65/89/314306589.db2.gz FXQCIXZASQNFMH-UHFFFAOYSA-N -1 0 337.376 2.328 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)OC(C)(C)C ZINC000436885254 315009513 /nfs/dbraw/zinc/00/95/13/315009513.db2.gz GXVKILFPBHBQMA-CYBMUJFWSA-N -1 0 338.360 2.397 20 5 EEBDRM CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436906083 315011286 /nfs/dbraw/zinc/01/12/86/315011286.db2.gz ARMXTTJOKDYGJH-LLVKDONJSA-N -1 0 344.323 2.212 20 5 EEBDRM CNC(=O)Nc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436945480 315014961 /nfs/dbraw/zinc/01/49/61/315014961.db2.gz GTDMCKBNHKZZAT-UHFFFAOYSA-N -1 0 330.300 2.304 20 5 EEBDRM O=C(Nc1cccc(Cn2cncn2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436963176 315017326 /nfs/dbraw/zinc/01/73/26/315017326.db2.gz YMYLCRSCVXJMMN-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM C[C@@H]1C[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)O1 ZINC000514732263 316417768 /nfs/dbraw/zinc/41/77/68/316417768.db2.gz VEDBIZFXCICJLR-VGMNWLOBSA-N -1 0 328.752 2.497 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c1 ZINC000515654091 316510799 /nfs/dbraw/zinc/51/07/99/316510799.db2.gz DTWRHNFWAWUPCE-QLJPJBMISA-N -1 0 336.344 2.176 20 5 EEBDRM CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000542802625 318142067 /nfs/dbraw/zinc/14/20/67/318142067.db2.gz SVORZXYPLDNOOA-UHFFFAOYSA-N -1 0 326.312 2.449 20 5 EEBDRM O=C(NCCc1ccc2n[nH]cc2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000561693202 318851259 /nfs/dbraw/zinc/85/12/59/318851259.db2.gz VEUYTOXRPKERDX-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H](CC(=O)[O-])C1 ZINC000564715262 319104233 /nfs/dbraw/zinc/10/42/33/319104233.db2.gz FUWFXSHJRXQNJF-LLVKDONJSA-N -1 0 336.344 2.381 20 5 EEBDRM CC(C)(C)CCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000564922945 319128442 /nfs/dbraw/zinc/12/84/42/319128442.db2.gz IWKQYKQAXOBVBZ-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM Cc1cc(NCCN2CCOC(C)(C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566012712 319235776 /nfs/dbraw/zinc/23/57/76/319235776.db2.gz PQYYRZGHDCCUME-UHFFFAOYSA-N -1 0 337.376 2.124 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000566298444 319271850 /nfs/dbraw/zinc/27/18/50/319271850.db2.gz WQLZVRTZDJXVTF-GUYCJALGSA-N -1 0 334.372 2.431 20 5 EEBDRM Cc1cc(NCc2nnc(C(C)C)n2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574641096 320043774 /nfs/dbraw/zinc/04/37/74/320043774.db2.gz PVVFNLXCGKSUHO-UHFFFAOYSA-N -1 0 333.348 2.465 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H]1c1ncon1 ZINC000577962271 320286268 /nfs/dbraw/zinc/28/62/68/320286268.db2.gz PNOFXUXDFHVXKP-SECBINFHSA-N -1 0 338.707 2.314 20 5 EEBDRM CCCC[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000578017809 320289314 /nfs/dbraw/zinc/28/93/14/320289314.db2.gz PFJQGVRPTGHQQP-JTQLQIEISA-N -1 0 344.389 2.492 20 5 EEBDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000581500608 324267104 /nfs/dbraw/zinc/26/71/04/324267104.db2.gz YMYFFJNEWZFVQW-LBPRGKRZSA-N -1 0 334.332 2.042 20 5 EEBDRM O=C([O-])c1cc(N[C@H]2CCN(CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000581946229 324348651 /nfs/dbraw/zinc/34/86/51/324348651.db2.gz DSOQZIMBNNRWCF-VIFPVBQESA-N -1 0 333.266 2.342 20 5 EEBDRM Cc1[nH]nc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c1[N+](=O)[O-] ZINC000604546711 449250685 /nfs/dbraw/zinc/25/06/85/449250685.db2.gz ZSDLURQNGWQWCC-UHFFFAOYSA-N -1 0 344.356 2.321 20 5 EEBDRM C[S@](=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000184820503 465028118 /nfs/dbraw/zinc/02/81/18/465028118.db2.gz CZLKEORWZHANFW-BSEYFRJRSA-N -1 0 348.380 2.150 20 5 EEBDRM CC(C)[C@@]1(C(=O)[O-])CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000327658756 465053809 /nfs/dbraw/zinc/05/38/09/465053809.db2.gz GJXPQCYMODWZGP-MRXNPFEDSA-N -1 0 346.343 2.181 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(O)c1F ZINC000128720816 462665848 /nfs/dbraw/zinc/66/58/48/462665848.db2.gz CQUFTHKPCQLKJH-SECBINFHSA-N -1 0 347.302 2.197 20 5 EEBDRM CNC(=O)c1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000089531028 462690689 /nfs/dbraw/zinc/69/06/89/462690689.db2.gz CJZMSWKIQAXCEP-RUDMXATFSA-N -1 0 341.323 2.312 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000130799058 462776549 /nfs/dbraw/zinc/77/65/49/462776549.db2.gz HYBTXBWZJNSBSU-UHFFFAOYSA-N -1 0 347.356 2.284 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000136489128 463242425 /nfs/dbraw/zinc/24/24/25/463242425.db2.gz RCBMITKFHNWRNF-AWEZNQCLSA-N -1 0 335.360 2.253 20 5 EEBDRM Cc1ccc(-c2nc(NC(=O)COc3ccccc3[N+](=O)[O-])n[nH]2)o1 ZINC000160169307 463321622 /nfs/dbraw/zinc/32/16/22/463321622.db2.gz JTHJJCMHIYYLCV-UHFFFAOYSA-N -1 0 343.299 2.299 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000055545927 463330605 /nfs/dbraw/zinc/33/06/05/463330605.db2.gz PPMODWNTFPYKCM-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM O=C(CNC(=O)OCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000035900050 463432775 /nfs/dbraw/zinc/43/27/75/463432775.db2.gz SJGGSPPPHPNCLR-UHFFFAOYSA-N -1 0 345.311 2.165 20 5 EEBDRM C[S@](=O)Cc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164664468 463629283 /nfs/dbraw/zinc/62/92/83/463629283.db2.gz GTSOCMSTEVNLOC-HSZRJFAPSA-N -1 0 334.353 2.431 20 5 EEBDRM C[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000277026937 463848037 /nfs/dbraw/zinc/84/80/37/463848037.db2.gz NRRIXRUYIYLIBO-QMMMGPOBSA-N -1 0 347.293 2.229 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)Cc1ccccc1 ZINC000179547722 464155229 /nfs/dbraw/zinc/15/52/29/464155229.db2.gz ORYKFPKCMYATBX-ZBEGNZNMSA-N -1 0 330.340 2.022 20 5 EEBDRM Cn1nc(C2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000180365320 464295159 /nfs/dbraw/zinc/29/51/59/464295159.db2.gz LXOZDIPBKHCXML-UHFFFAOYSA-N -1 0 331.332 2.339 20 5 EEBDRM O=C([O-])CCCCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000238144066 464435011 /nfs/dbraw/zinc/43/50/11/464435011.db2.gz GFVTVQVUZBRSTG-UHFFFAOYSA-N -1 0 333.344 2.380 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nncn3c2)cc1C ZINC000181076392 464441978 /nfs/dbraw/zinc/44/19/78/464441978.db2.gz DQSSUKGFINYGCC-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM CSCC1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000295365220 464805479 /nfs/dbraw/zinc/80/54/79/464805479.db2.gz DELKAVBHPYWDJX-UHFFFAOYSA-N -1 0 325.390 2.347 20 5 EEBDRM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(F)c([O-])c(F)c1 ZINC000176974605 464896958 /nfs/dbraw/zinc/89/69/58/464896958.db2.gz MXSINUAGRBJVMJ-UHFFFAOYSA-N -1 0 337.282 2.421 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593925254 468436754 /nfs/dbraw/zinc/43/67/54/468436754.db2.gz MYWOUMMNXOSGCG-CYBMUJFWSA-N -1 0 349.387 2.133 20 5 EEBDRM CCN(c1ccc(O)cc1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000357464799 466058716 /nfs/dbraw/zinc/05/87/16/466058716.db2.gz AZIJMEQCVGUPFP-UHFFFAOYSA-N -1 0 338.341 2.221 20 5 EEBDRM Cc1cccc(OCCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000581253315 468490611 /nfs/dbraw/zinc/49/06/11/468490611.db2.gz DSUJABFUXRSWFY-UHFFFAOYSA-N -1 0 331.328 2.796 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCc2cccc(Cl)c2)ccc1[O-] ZINC000315642226 466562013 /nfs/dbraw/zinc/56/20/13/466562013.db2.gz RRWFNKGUFHHILH-UHFFFAOYSA-N -1 0 342.760 2.432 20 5 EEBDRM CCC[C@@](C)(NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000319561520 466596517 /nfs/dbraw/zinc/59/65/17/466596517.db2.gz KXERJXVWWMQXFL-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC(COc2ccccc2)C1 ZINC000368369803 466610735 /nfs/dbraw/zinc/61/07/35/466610735.db2.gz LGYZBJHSKSMUHX-UHFFFAOYSA-N -1 0 328.324 2.451 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnnn1Cc1ccccc1 ZINC000354524246 466629033 /nfs/dbraw/zinc/62/90/33/466629033.db2.gz FNXLFGUVSYLLMO-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CCOC[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000417643900 466896885 /nfs/dbraw/zinc/89/68/85/466896885.db2.gz BEWSCTUZLABFLA-CYBMUJFWSA-N -1 0 334.328 2.434 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000405426411 467482147 /nfs/dbraw/zinc/48/21/47/467482147.db2.gz VZLRSKHIBXCCLY-CFHLNLSMSA-N -1 0 330.340 2.321 20 5 EEBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000431461095 467518053 /nfs/dbraw/zinc/51/80/53/467518053.db2.gz SVMIDEBYAGKBIS-UHFFFAOYSA-N -1 0 348.315 2.066 20 5 EEBDRM COc1cccc2c1n[nH]c2C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000436701757 467550913 /nfs/dbraw/zinc/55/09/13/467550913.db2.gz BMIGJQVPFZHLFZ-UHFFFAOYSA-N -1 0 328.284 2.438 20 5 EEBDRM CCC[C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000582604246 468565353 /nfs/dbraw/zinc/56/53/53/468565353.db2.gz UIOZRDIXUOXMKJ-VIFPVBQESA-N -1 0 330.362 2.102 20 5 EEBDRM C[C@@]1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])COc2ccccc2O1 ZINC000600679058 468618438 /nfs/dbraw/zinc/61/84/38/468618438.db2.gz XJXBKSRVDRHCRJ-MRXNPFEDSA-N -1 0 345.311 2.330 20 5 EEBDRM CCC(CC)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000592134706 468633290 /nfs/dbraw/zinc/63/32/90/468633290.db2.gz ACXQMOTVQRCZNW-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM C[C@H]1CC[C@@](NC(=O)NCCc2cccc([N+](=O)[O-])c2)(C(=O)[O-])CC1 ZINC000594688742 468654049 /nfs/dbraw/zinc/65/40/49/468654049.db2.gz ZGMNKCPBFWJJFQ-QASKLWRZSA-N -1 0 349.387 2.470 20 5 EEBDRM CC[C@@H](C)CCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000594720025 468663538 /nfs/dbraw/zinc/66/35/38/468663538.db2.gz MYUSRTHEJAPMGB-SECBINFHSA-N -1 0 330.362 2.008 20 5 EEBDRM C[C@](NC(=O)CCc1ccoc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874605 468672650 /nfs/dbraw/zinc/67/26/50/468672650.db2.gz JOOUNFHSQYCKBS-MRXNPFEDSA-N -1 0 332.312 2.237 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000558697619 468708071 /nfs/dbraw/zinc/70/80/71/468708071.db2.gz OIGSQOPZSWZTSO-DTWKUNHWSA-N -1 0 336.373 2.318 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)O ZINC000592793173 468787051 /nfs/dbraw/zinc/78/70/51/468787051.db2.gz MMOJFXDEHYPETI-LBPRGKRZSA-N -1 0 330.768 2.479 20 5 EEBDRM C[C@H]1CC[C@@](NC(=O)CNc2ccccc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC000595246127 468791833 /nfs/dbraw/zinc/79/18/33/468791833.db2.gz WGKOMDNEFWQIQW-SXUIPJSXSA-N -1 0 335.360 2.156 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000595251002 468793440 /nfs/dbraw/zinc/79/34/40/468793440.db2.gz NANOATQOZKGTHV-LLVKDONJSA-N -1 0 340.763 2.408 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(Cc3cccs3)CC2)n1 ZINC000592967165 468830261 /nfs/dbraw/zinc/83/02/61/468830261.db2.gz ZQPDXCKQRSHMHW-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCOC(C2CC2)(C2CC2)C1 ZINC000598363798 468842017 /nfs/dbraw/zinc/84/20/17/468842017.db2.gz FUXMMSYSYFPMNT-UHFFFAOYSA-N -1 0 332.356 2.332 20 5 EEBDRM CC(C)C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000593696643 469100269 /nfs/dbraw/zinc/10/02/69/469100269.db2.gz ASXZUDXTFQEIPQ-LBPRGKRZSA-N -1 0 337.376 2.260 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593746981 469122347 /nfs/dbraw/zinc/12/23/47/469122347.db2.gz ZSAXQJRUMRZCFQ-OAHLLOKOSA-N -1 0 332.316 2.084 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@]2(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000596092362 469151859 /nfs/dbraw/zinc/15/18/59/469151859.db2.gz UUVGZUBSTNKIMC-CQSZACIVSA-N -1 0 342.373 2.068 20 5 EEBDRM CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)Nc1ccccc1 ZINC000611534888 469274444 /nfs/dbraw/zinc/27/44/44/469274444.db2.gz GOGJUVSJNOCRJL-UHFFFAOYSA-N -1 0 343.339 2.448 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236583030 535009465 /nfs/dbraw/zinc/00/94/65/535009465.db2.gz LDARZFDOJPINJL-UHFFFAOYSA-N -1 0 346.343 2.154 20 5 EEBDRM CCC[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263231350 535344437 /nfs/dbraw/zinc/34/44/37/535344437.db2.gz SCTQLFRNFXYKKJ-LBPRGKRZSA-N -1 0 346.343 2.011 20 5 EEBDRM CSC[C@@](C)(O)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000738188437 578002972 /nfs/dbraw/zinc/00/29/72/578002972.db2.gz LUPVXUNVJRJNIR-SDQPKGBYSA-N -1 0 326.374 2.219 20 5 EEBDRM O=C([O-])Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000739896478 576304691 /nfs/dbraw/zinc/30/46/91/576304691.db2.gz QLHVFFKAKQHXOS-UHFFFAOYSA-N -1 0 343.338 2.051 20 5 EEBDRM Cc1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(C(=O)[O-])[nH]1 ZINC000738421890 576419003 /nfs/dbraw/zinc/41/90/03/576419003.db2.gz SYMHIECOVYBPPM-UHFFFAOYSA-N -1 0 333.300 2.337 20 5 EEBDRM CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(C(N)=O)c1 ZINC000773106769 577316077 /nfs/dbraw/zinc/31/60/77/577316077.db2.gz YLUPQDLXZLNWOD-UHFFFAOYSA-N -1 0 345.311 2.050 20 5 EEBDRM C[C@H](COc1ccccc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000776685156 577466041 /nfs/dbraw/zinc/46/60/41/577466041.db2.gz LQEBYQPYMYXHDG-LLVKDONJSA-N -1 0 344.323 2.490 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cs1 ZINC000768866411 577564554 /nfs/dbraw/zinc/56/45/54/577564554.db2.gz PXRJPWPICSSPGC-UHFFFAOYSA-N -1 0 326.355 2.392 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(OC)c1 ZINC000768865491 577564559 /nfs/dbraw/zinc/56/45/59/577564559.db2.gz BQSNLQQMLKKPHO-UHFFFAOYSA-N -1 0 344.370 2.474 20 5 EEBDRM Cc1noc(C)c1CCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000762286935 577698647 /nfs/dbraw/zinc/69/86/47/577698647.db2.gz IJLZRXCXKDJZAH-UHFFFAOYSA-N -1 0 347.327 2.260 20 5 EEBDRM CN(C)C(=O)c1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755010966 577818128 /nfs/dbraw/zinc/81/81/28/577818128.db2.gz HZJBHYGZCZZKCX-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000744132833 577893240 /nfs/dbraw/zinc/89/32/40/577893240.db2.gz RZHPORAYZNOJNH-RKDXNWHRSA-N -1 0 332.403 2.288 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC23CCCC3)ccc1[N+](=O)[O-] ZINC000747476950 577945187 /nfs/dbraw/zinc/94/51/87/577945187.db2.gz ASLARYHYIQUZMM-GFCCVEGCSA-N -1 0 338.385 2.288 20 5 EEBDRM O=C([O-])c1cc(NC(=O)/C=C\c2cncc(F)c2)cc([N+](=O)[O-])c1 ZINC000739215505 578044226 /nfs/dbraw/zinc/04/42/26/578044226.db2.gz CENMXEFCPJZTHL-UPHRSURJSA-N -1 0 331.259 2.479 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000739348704 578049460 /nfs/dbraw/zinc/04/94/60/578049460.db2.gz CPRDXWAHIBFJSF-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000739719985 578065577 /nfs/dbraw/zinc/06/55/77/578065577.db2.gz DNSMLDDJTDGNJE-UHFFFAOYSA-N -1 0 340.286 2.004 20 5 EEBDRM CCCCSCCC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000740522682 578097240 /nfs/dbraw/zinc/09/72/40/578097240.db2.gz FZBCINWYWPIXNS-UHFFFAOYSA-N -1 0 346.430 2.323 20 5 EEBDRM CC(C)CN(C(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1CC1 ZINC000736437555 578203791 /nfs/dbraw/zinc/20/37/91/578203791.db2.gz LOHYSPYEGHQDAI-UHFFFAOYSA-N -1 0 336.344 2.319 20 5 EEBDRM CC1(C)CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)CO1 ZINC000736735060 578221204 /nfs/dbraw/zinc/22/12/04/578221204.db2.gz FMYNDYZVIPINIZ-UHFFFAOYSA-N -1 0 336.344 2.323 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000736852635 578227022 /nfs/dbraw/zinc/22/70/22/578227022.db2.gz OATYUGXAFRTCCR-AWEZNQCLSA-N -1 0 346.343 2.078 20 5 EEBDRM CCN(C(=O)c1csc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC000737061785 578235718 /nfs/dbraw/zinc/23/57/18/578235718.db2.gz IQQGPOXTTKKNLB-UHFFFAOYSA-N -1 0 327.343 2.478 20 5 EEBDRM CC[C@H](C)[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)[O-] ZINC000820465658 598187502 /nfs/dbraw/zinc/18/75/02/598187502.db2.gz OKZATPBGOQCMNC-ZANVPECISA-N -1 0 334.332 2.234 20 5 EEBDRM CN(CC(=O)O[C@H](C(=O)[O-])c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000830697020 600726286 /nfs/dbraw/zinc/72/62/86/600726286.db2.gz GVARDJLCZVVHTD-INIZCTEOSA-N -1 0 344.323 2.400 20 5 EEBDRM Cn1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000833052428 601318059 /nfs/dbraw/zinc/31/80/59/601318059.db2.gz WGCIWZDRECCGDV-UHFFFAOYSA-N -1 0 344.327 2.458 20 5 EEBDRM O=C([O-])c1c(C2CC2)csc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000833122753 601807257 /nfs/dbraw/zinc/80/72/57/601807257.db2.gz LUZFQJRXFRWIQZ-UHFFFAOYSA-N -1 0 336.329 2.067 20 5 EEBDRM CC(=O)N1CCC(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000825828232 602317303 /nfs/dbraw/zinc/31/73/03/602317303.db2.gz DAFPVPPFZLOZQI-UHFFFAOYSA-N -1 0 335.360 2.272 20 5 EEBDRM CSC[C@H](CCO)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832754272 604269347 /nfs/dbraw/zinc/26/93/47/604269347.db2.gz YJZFTGDSJLHQLS-ZETCQYMHSA-N -1 0 334.781 2.472 20 5 EEBDRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000826876152 604598064 /nfs/dbraw/zinc/59/80/64/604598064.db2.gz TUAFOHUMLOUARL-UHFFFAOYSA-N -1 0 330.287 2.446 20 5 EEBDRM CCOc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000830059741 604711149 /nfs/dbraw/zinc/71/11/49/604711149.db2.gz KTSCXLKCHRLNSK-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM CNC(=O)C(C)(C)CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830975353 604796194 /nfs/dbraw/zinc/79/61/94/604796194.db2.gz MHTRTWFXGJDALN-UHFFFAOYSA-N -1 0 329.740 2.131 20 5 EEBDRM CC(C)(CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000833457211 605449472 /nfs/dbraw/zinc/44/94/72/605449472.db2.gz CEHGOLOKGPDKNS-UHFFFAOYSA-N -1 0 343.767 2.201 20 5 EEBDRM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000822220282 607201887 /nfs/dbraw/zinc/20/18/87/607201887.db2.gz KTYFBTDOHQEFBY-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cnn1C ZINC000176974270 679793979 /nfs/dbraw/zinc/79/39/79/679793979.db2.gz VHQBAFGBTQYNPA-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000177712512 681470079 /nfs/dbraw/zinc/47/00/79/681470079.db2.gz PRWUYZLGZHZPPO-QWRGUYRKSA-N -1 0 326.374 2.226 20 5 EEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1=CCCCCC1 ZINC000122582048 683385354 /nfs/dbraw/zinc/38/53/54/683385354.db2.gz JYLUXDQJRPGKIV-UHFFFAOYSA-N -1 0 338.385 2.431 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccsc1 ZINC000122582064 683385422 /nfs/dbraw/zinc/38/54/22/683385422.db2.gz JGKAGEMVTVZOLZ-SSDOTTSWSA-N -1 0 346.411 2.326 20 5 EEBDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000120533678 1198199463 /nfs/dbraw/zinc/19/94/63/1198199463.db2.gz WUGXQLUAOPWMNU-UHFFFAOYSA-N -1 0 342.304 2.062 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)o1 ZINC000120609765 1198268424 /nfs/dbraw/zinc/26/84/24/1198268424.db2.gz WKBZDHFGPUKCDB-UHFFFAOYSA-N -1 0 348.695 2.099 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)nc1 ZINC000083955104 1211514366 /nfs/dbraw/zinc/51/43/66/1211514366.db2.gz RDAGVVZRIYBJRB-UHFFFAOYSA-N -1 0 341.776 2.483 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000016099634 1226734169 /nfs/dbraw/zinc/73/41/69/1226734169.db2.gz UUFDYGWIYRQWPE-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C12CCC(CC1)C2 ZINC000850885199 1277380371 /nfs/dbraw/zinc/38/03/71/1277380371.db2.gz ARCFEMFVDQQGBR-UHFFFAOYSA-N -1 0 342.348 2.119 20 5 EEBDRM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])no1 ZINC000814999766 1278035999 /nfs/dbraw/zinc/03/59/99/1278035999.db2.gz NJSDVPYULOMUCP-UHFFFAOYSA-N -1 0 349.727 2.162 20 5 EEBDRM COc1cc(OC)c(-c2noc(-c3ccc([O-])cc3[N+](=O)[O-])n2)cn1 ZINC001216893787 1297327154 /nfs/dbraw/zinc/32/71/54/1297327154.db2.gz KPPNLCOYBMNQMG-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H]2CCc3cc(C)ccc32)c1[N+](=O)[O-] ZINC001226650691 1301494821 /nfs/dbraw/zinc/49/48/21/1301494821.db2.gz BBTGFLQTIZOBDV-NSHDSACASA-N -1 0 345.311 2.252 20 5 EEBDRM O=c1nc2[nH]ccc2c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[n-]1 ZINC001227275128 1301759704 /nfs/dbraw/zinc/75/97/04/1301759704.db2.gz UOEXIXGEJWKNOQ-JTQLQIEISA-N -1 0 341.327 2.229 20 5 EEBDRM CSc1nc(O[C@@H](C)c2ncccc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227628807 1301916718 /nfs/dbraw/zinc/91/67/18/1301916718.db2.gz QXHFCZAYWYAYIN-LURJTMIESA-N -1 0 326.309 2.486 20 5 EEBDRM Cc1ccc(N2CCC(Oc3nc(C)[n-]c(=O)c3[N+](=O)[O-])CC2)nc1 ZINC001229380034 1302754547 /nfs/dbraw/zinc/75/45/47/1302754547.db2.gz YFPDZVXZRRZWSS-UHFFFAOYSA-N -1 0 345.359 2.150 20 5 EEBDRM O=c1oc2cc(O)ccc2c2cc(OC[C@H]3COCO3)c(O)cc12 ZINC001229803973 1302950752 /nfs/dbraw/zinc/95/07/52/1302950752.db2.gz UQYWKWLVPMBNNO-SNVBAGLBSA-N -1 0 330.292 2.109 20 5 EEBDRM CC/C=C\CCOC(=O)[C@@H](C)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231072501 1303611236 /nfs/dbraw/zinc/61/12/36/1303611236.db2.gz VYEPGMYPQZJLBP-PULIVWKDSA-N -1 0 345.739 2.411 20 5 EEBDRM CC(C)C[C@@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C(=O)OC(C)C ZINC001231071808 1303611413 /nfs/dbraw/zinc/61/14/13/1303611413.db2.gz LPZCJXYSTMSTFD-MRVPVSSYSA-N -1 0 347.755 2.489 20 5 EEBDRM Cc1c(Nc2ncc([N+](=O)[O-])c3ccccc32)cnn1CC(=O)[O-] ZINC001600056371 1349963181 /nfs/dbraw/zinc/96/31/81/1349963181.db2.gz DBIUWPTZOQOWRN-UHFFFAOYSA-N -1 0 327.300 2.476 20 5 EEBDRM Cn1nc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2ccccc21 ZINC001601006487 1350187892 /nfs/dbraw/zinc/18/78/92/1350187892.db2.gz BMBRDBQHFUUKNH-UHFFFAOYSA-N -1 0 341.279 2.399 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001601227236 1350236594 /nfs/dbraw/zinc/23/65/94/1350236594.db2.gz MCRXLWXPXBQLBZ-XQZPOBRMSA-N -1 0 330.340 2.307 20 5 EEBDRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1CCOC1 ZINC001608543658 1351713051 /nfs/dbraw/zinc/71/30/51/1351713051.db2.gz OCYPBDBGZQTDSM-PSASIEDQSA-N -1 0 346.286 2.345 20 5 EEBDRM Cc1noc(C)c1C([O-])=CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC001307264795 1331522253 /nfs/dbraw/zinc/52/22/53/1331522253.db2.gz BADWHIOOJAZZAG-UHFFFAOYSA-N -1 0 338.341 2.165 20 5 EEBDRM CC[C@@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccn1 ZINC001309610190 1331635624 /nfs/dbraw/zinc/63/56/24/1331635624.db2.gz WYHUAJOQEGBVRE-LLVKDONJSA-N -1 0 337.357 2.125 20 5 EEBDRM O=S(=O)(Oc1cccc2nc3ccccc3nc21)c1ncc[n-]1 ZINC001309967635 1331650430 /nfs/dbraw/zinc/65/04/30/1331650430.db2.gz WNRZKHSXEGWOJE-UHFFFAOYSA-N -1 0 326.337 2.274 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NC[C@@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC001608660735 1351736277 /nfs/dbraw/zinc/73/62/77/1351736277.db2.gz AGHACPKPWKKNFH-QSLRECBCSA-N -1 0 345.355 2.115 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NC[C@H](O)c2ccccn2)c([N+](=O)[O-])c1 ZINC001608661117 1351736724 /nfs/dbraw/zinc/73/67/24/1351736724.db2.gz MXEZKMNFEWLIMB-ZKKXHLJNSA-N -1 0 329.312 2.233 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001608665850 1351737159 /nfs/dbraw/zinc/73/71/59/1351737159.db2.gz PIYBHDBNAMHSTD-SNVBAGLBSA-N -1 0 342.298 2.304 20 5 EEBDRM O=C([O-])COc1ccc(CN2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC001608759042 1351756588 /nfs/dbraw/zinc/75/65/88/1351756588.db2.gz SMBCCCNHYNKCDI-UHFFFAOYSA-N -1 0 330.287 2.289 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC001608836863 1351775274 /nfs/dbraw/zinc/77/52/74/1351775274.db2.gz WKPIKJFORCXYQH-IAQYHMDHSA-N -1 0 348.355 2.228 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001609027705 1351819110 /nfs/dbraw/zinc/81/91/10/1351819110.db2.gz NKFURGJTWRLRJH-UHFFFAOYSA-N -1 0 326.255 2.095 20 5 EEBDRM CC(=O)N1CCC(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001609591232 1352029417 /nfs/dbraw/zinc/02/94/17/1352029417.db2.gz OHKRJRSDJVPJPR-HYXAFXHYSA-N -1 0 333.344 2.115 20 5 EEBDRM CC(C)(CC(=O)[O-])C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001609672969 1352055840 /nfs/dbraw/zinc/05/58/40/1352055840.db2.gz ALMDCIIOWCBKAD-UHFFFAOYSA-N -1 0 349.299 2.189 20 5 EEBDRM CSC1CCN(c2nnc(-c3cccc([O-])c3[N+](=O)[O-])n2C)CC1 ZINC001338300396 1336835589 /nfs/dbraw/zinc/83/55/89/1336835589.db2.gz CORWGPWHXHIDOG-UHFFFAOYSA-N -1 0 349.416 2.428 20 5 EEBDRM C[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C(=O)[O-])C1 ZINC001609861452 1352104914 /nfs/dbraw/zinc/10/49/14/1352104914.db2.gz SFKSXXHLLTUPKV-ISVAXAHUSA-N -1 0 342.298 2.127 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)COc1ccc([N+](=O)[O-])cc1OC ZINC001609910246 1352117337 /nfs/dbraw/zinc/11/73/37/1352117337.db2.gz MREMKNPGKWTROH-UHFFFAOYSA-N -1 0 325.317 2.442 20 5 EEBDRM CCOC(=O)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001610019630 1352142482 /nfs/dbraw/zinc/14/24/82/1352142482.db2.gz STJVXMZSZKSQHG-LBPRGKRZSA-N -1 0 336.344 2.001 20 5 EEBDRM CNc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccs2)cc1[N+](=O)[O-] ZINC001610148381 1352173424 /nfs/dbraw/zinc/17/34/24/1352173424.db2.gz YIEYPDMDIVTZMI-LBPRGKRZSA-N -1 0 335.341 2.254 20 5 EEBDRM CCN(CCNC(=O)c1ncccc1O)c1ccc(C)cc1[N+](=O)[O-] ZINC001100515506 1338464237 /nfs/dbraw/zinc/46/42/37/1338464237.db2.gz SVNBPBXAQGKBMY-UHFFFAOYSA-N -1 0 344.371 2.260 20 5 EEBDRM Cc1ccc(NC(=O)CN(C)c2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001610507091 1352235394 /nfs/dbraw/zinc/23/53/94/1352235394.db2.gz QKXRWADOLWUVGZ-UHFFFAOYSA-N -1 0 344.327 2.071 20 5 EEBDRM O=C([O-])c1ccccc1COC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001610671569 1352259299 /nfs/dbraw/zinc/25/92/99/1352259299.db2.gz NMYRYQIHVUYXQA-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM O=C([O-])C[C@@]1(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCOC1 ZINC001610757089 1352269352 /nfs/dbraw/zinc/26/93/52/1352269352.db2.gz MGUJTFNRALSIKC-AWEZNQCLSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)cc([N+](=O)[O-])c1 ZINC001610808618 1352278397 /nfs/dbraw/zinc/27/83/97/1352278397.db2.gz FHICJRBSIFTOPT-AWEZNQCLSA-N -1 0 344.327 2.384 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ncoc2[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001610814096 1352279180 /nfs/dbraw/zinc/27/91/80/1352279180.db2.gz YTCZQTUBPQTRQR-LLVKDONJSA-N -1 0 347.283 2.385 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@]1(O)CCSC1 ZINC001610817227 1352279528 /nfs/dbraw/zinc/27/95/28/1352279528.db2.gz BMJYAXLVGCIFEK-LBPRGKRZSA-N -1 0 332.765 2.226 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H]1CCCOC1 ZINC001610817082 1352279540 /nfs/dbraw/zinc/27/95/40/1352279540.db2.gz BDHTWONBCJIMER-MRVPVSSYSA-N -1 0 325.277 2.040 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2c(F)cccc2Cl)c1 ZINC001610817747 1352279795 /nfs/dbraw/zinc/27/97/95/1352279795.db2.gz UATBDGRFMPJFSJ-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCCCN1CCCC1=O ZINC001610817939 1352279894 /nfs/dbraw/zinc/27/98/94/1352279894.db2.gz ZIUUALOGYSWYQA-UHFFFAOYSA-N -1 0 341.751 2.371 20 5 EEBDRM CC(C)(C)OCCCNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001589197121 1348968844 /nfs/dbraw/zinc/96/88/44/1348968844.db2.gz COICSBDEXHXIPU-UHFFFAOYSA-N -1 0 326.382 2.454 20 5 EEBDRM CC(C)CCn1cc(-c2nnn[n-]2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001589609661 1349010821 /nfs/dbraw/zinc/01/08/21/1349010821.db2.gz IWNMBTIUYNAIQW-UHFFFAOYSA-N -1 0 328.332 2.136 20 5 EEBDRM CCc1ccc(C(=O)OCc2cnc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001597508098 1349926162 /nfs/dbraw/zinc/92/61/62/1349926162.db2.gz AIMGLQUSRWUEKS-UHFFFAOYSA-N -1 0 331.284 2.002 20 5 EEBDRM Cc1c(NC(=O)N(C)C[C@H]2CCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600035006 1349958928 /nfs/dbraw/zinc/95/89/28/1349958928.db2.gz UMZFDYMJYNUHHL-LLVKDONJSA-N -1 0 337.332 2.244 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC3(C[C@H]2C)CCOCC3)n1 ZINC001600104884 1349972175 /nfs/dbraw/zinc/97/21/75/1349972175.db2.gz CFTJCCBRZQHVRX-LLVKDONJSA-N -1 0 335.360 2.392 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1C ZINC001600230352 1349997317 /nfs/dbraw/zinc/99/73/17/1349997317.db2.gz GZVJTWGAEXHWAX-UHFFFAOYSA-N -1 0 349.318 2.317 20 5 EEBDRM Cc1cc(NC(=O)CCCn2ccc(C(=O)[O-])n2)cc([N+](=O)[O-])c1 ZINC001600254260 1350003121 /nfs/dbraw/zinc/00/31/21/1350003121.db2.gz LKXCRHWJOVRNAJ-UHFFFAOYSA-N -1 0 332.316 2.217 20 5 EEBDRM Cc1cc(OCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600288294 1350011641 /nfs/dbraw/zinc/01/16/41/1350011641.db2.gz ZJYVBRZKEVDEFC-GFCCVEGCSA-N -1 0 338.360 2.288 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])nn2)cc1[N+](=O)[O-] ZINC001600373152 1350032992 /nfs/dbraw/zinc/03/29/92/1350032992.db2.gz NGLIZPPBOPCJEL-SECBINFHSA-N -1 0 345.315 2.274 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001600487479 1350063074 /nfs/dbraw/zinc/06/30/74/1350063074.db2.gz XVTJVBOLCQLZGT-OWYVNGRQSA-N -1 0 337.328 2.133 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001600487476 1350063408 /nfs/dbraw/zinc/06/34/08/1350063408.db2.gz XOYYTFFVVVQXJI-UHFFFAOYSA-N -1 0 329.312 2.235 20 5 EEBDRM Cc1ccccc1[C@@H](C(=O)[O-])N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC001600569957 1350085737 /nfs/dbraw/zinc/08/57/37/1350085737.db2.gz XHMWCSCOGWIVOM-INIZCTEOSA-N -1 0 327.340 2.482 20 5 EEBDRM Cc1noc(CCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)n1 ZINC001600813276 1350142712 /nfs/dbraw/zinc/14/27/12/1350142712.db2.gz VLGULOXMLSNRFU-UHFFFAOYSA-N -1 0 326.696 2.292 20 5 EEBDRM Cc1sc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001600889407 1350160950 /nfs/dbraw/zinc/16/09/50/1350160950.db2.gz HWFYWAJXBLDGEX-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])c1cc(NC(=O)C[C@@H](O)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC001601246474 1350240933 /nfs/dbraw/zinc/24/09/33/1350240933.db2.gz VRFZDDWDGDJYGB-HNNXBMFYSA-N -1 0 344.323 2.225 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CCC(=O)NC2CCCC2)cc([N+](=O)[O-])c1 ZINC001601259618 1350243812 /nfs/dbraw/zinc/24/38/12/1350243812.db2.gz GGHJIADWIJWLKE-UHFFFAOYSA-N -1 0 349.343 2.071 20 5 EEBDRM O=C([O-])[C@]12CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]1CCCC2 ZINC001601342580 1350262057 /nfs/dbraw/zinc/26/20/57/1350262057.db2.gz JLZXHMSEYRXWQA-SJKOYZFVSA-N -1 0 348.355 2.077 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@@H](CCO)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001601881496 1350389287 /nfs/dbraw/zinc/38/92/87/1350389287.db2.gz BEMLJIKSFWKGPR-MORRKMRCSA-N -1 0 334.250 2.418 20 5 EEBDRM O=C([O-])CCC(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC001601970380 1350407984 /nfs/dbraw/zinc/40/79/84/1350407984.db2.gz QRYYVHWZVNEVGC-UHFFFAOYSA-N -1 0 332.106 2.170 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH]1 ZINC001602032388 1350421971 /nfs/dbraw/zinc/42/19/71/1350421971.db2.gz VMLXFLNNJCXEQK-UHFFFAOYSA-N -1 0 349.368 2.420 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnnc1 ZINC001602031210 1350422156 /nfs/dbraw/zinc/42/21/56/1350422156.db2.gz JCRDDBDPSVJOCL-UHFFFAOYSA-N -1 0 348.340 2.204 20 5 EEBDRM O=C([O-])Cc1ccc(OC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001602129361 1350446190 /nfs/dbraw/zinc/44/61/90/1350446190.db2.gz BLTVHOAEUSEMIZ-CQSZACIVSA-N -1 0 335.287 2.473 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@H]2CCCN2CC(F)F)c([N+](=O)[O-])c1 ZINC001602138738 1350448158 /nfs/dbraw/zinc/44/81/58/1350448158.db2.gz SFEICEXKNFKPBS-LLVKDONJSA-N -1 0 343.330 2.363 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001602196540 1350463403 /nfs/dbraw/zinc/46/34/03/1350463403.db2.gz FDGBETYAYJIKMV-WPRPVWTQSA-N -1 0 338.316 2.447 20 5 EEBDRM O=C([O-])c1c(F)cccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC001602232481 1350471897 /nfs/dbraw/zinc/47/18/97/1350471897.db2.gz YGRNPYPVYYVDNT-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2ncc(Cl)s2)cc([N+](=O)[O-])c1 ZINC001602247096 1350475771 /nfs/dbraw/zinc/47/57/71/1350475771.db2.gz JNVYRFJTYANUDF-UHFFFAOYSA-N -1 0 341.732 2.333 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)on1 ZINC001602249636 1350476559 /nfs/dbraw/zinc/47/65/59/1350476559.db2.gz VOKRBGKRLGDUKH-UHFFFAOYSA-N -1 0 328.240 2.082 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2cc(-c3ccccc3)on2)c1 ZINC001602298750 1350487870 /nfs/dbraw/zinc/48/78/70/1350487870.db2.gz CBGNHGOVQZHERI-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM O=C([O-])c1cnc(COc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)cn1 ZINC001602521882 1350538042 /nfs/dbraw/zinc/53/80/42/1350538042.db2.gz NNHMZKTXOIVHEA-UHFFFAOYSA-N -1 0 347.180 2.218 20 5 EEBDRM O=C([O-])c1cnc(N2CCC=C(c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001602524530 1350538355 /nfs/dbraw/zinc/53/83/55/1350538355.db2.gz FQGRPIGDSFDLEU-UHFFFAOYSA-N -1 0 326.312 2.377 20 5 EEBDRM O=C([O-])c1cnc(CSCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC001602524403 1350538553 /nfs/dbraw/zinc/53/85/53/1350538553.db2.gz QCXZUDNQLDRVTC-UHFFFAOYSA-N -1 0 335.341 2.395 20 5 EEBDRM O=C([O-])c1cnc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC001602528174 1350539428 /nfs/dbraw/zinc/53/94/28/1350539428.db2.gz JYYAVNVQONIOHO-ZJUUUORDSA-N -1 0 333.325 2.492 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@H]2CCCN2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC001602531075 1350539734 /nfs/dbraw/zinc/53/97/34/1350539734.db2.gz XIDLIWJNWFOYFF-VIFPVBQESA-N -1 0 348.281 2.127 20 5 EEBDRM O=C([O-])c1coc(C(=O)COc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001602548435 1350543703 /nfs/dbraw/zinc/54/37/03/1350543703.db2.gz SBOAYBZDVZDGKC-UHFFFAOYSA-N -1 0 327.195 2.426 20 5 EEBDRM O=C([O-])[C@]12CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC001602622579 1350560086 /nfs/dbraw/zinc/56/00/86/1350560086.db2.gz ALWMSHWBSNDAJF-BDJLRTHQSA-N -1 0 336.319 2.451 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001602984434 1350618663 /nfs/dbraw/zinc/61/86/63/1350618663.db2.gz LUFKXFANLZJWNU-QJWNTBNXSA-N -1 0 348.355 2.138 20 5 EEBDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC001603102572 1350640743 /nfs/dbraw/zinc/64/07/43/1350640743.db2.gz XELMYTWWVVGJBZ-UHFFFAOYSA-N -1 0 331.284 2.384 20 5 EEBDRM CCC(CC)(CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604019080 1350830739 /nfs/dbraw/zinc/83/07/39/1350830739.db2.gz FFDURJGLQPQLEG-UHFFFAOYSA-N -1 0 334.336 2.078 20 5 EEBDRM CC(C)c1ocnc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604030035 1350833596 /nfs/dbraw/zinc/83/35/96/1350833596.db2.gz UFWGJFPNRVUGLA-INIZCTEOSA-N -1 0 347.327 2.436 20 5 EEBDRM C[C@H](OC(=O)c1occc1C(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001604419340 1350934556 /nfs/dbraw/zinc/93/45/56/1350934556.db2.gz OFOQAVDTEDRRRD-QMMMGPOBSA-N -1 0 348.267 2.070 20 5 EEBDRM CC[C@H](C(=O)[O-])C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001604882342 1351024663 /nfs/dbraw/zinc/02/46/63/1351024663.db2.gz XDAIBYFNYHEFRI-GFCCVEGCSA-N -1 0 334.284 2.404 20 5 EEBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CF)C(=O)[O-] ZINC001605348591 1351142709 /nfs/dbraw/zinc/14/27/09/1351142709.db2.gz VEWCHJJCIMGOGP-JTQLQIEISA-N -1 0 330.337 2.249 20 5 EEBDRM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1[N+](=O)[O-] ZINC001605408213 1351155747 /nfs/dbraw/zinc/15/57/47/1351155747.db2.gz AQWWETQXEYOUIM-MRVPVSSYSA-N -1 0 329.272 2.286 20 5 EEBDRM COCC[C@H](COC)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606855521 1351366868 /nfs/dbraw/zinc/36/68/68/1351366868.db2.gz HYLCRCSOAWPMGY-MRVPVSSYSA-N -1 0 332.740 2.410 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001607190927 1351446007 /nfs/dbraw/zinc/44/60/07/1351446007.db2.gz BUIMWOWVHJEZLX-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001607291382 1351465761 /nfs/dbraw/zinc/46/57/61/1351465761.db2.gz BYSITPXEFVNSQT-SNVBAGLBSA-N -1 0 337.332 2.226 20 5 EEBDRM CSCc1nc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])n[nH]1 ZINC001607400410 1351488160 /nfs/dbraw/zinc/48/81/60/1351488160.db2.gz ASNNGBVNIFWWQH-UHFFFAOYSA-N -1 0 337.361 2.195 20 5 EEBDRM C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1CC(=O)[O-] ZINC001607431627 1351493234 /nfs/dbraw/zinc/49/32/34/1351493234.db2.gz HUMBOXVAKDHSGY-DGCLKSJQSA-N -1 0 345.355 2.119 20 5 EEBDRM C[C@H](O)CNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001607462260 1351498080 /nfs/dbraw/zinc/49/80/80/1351498080.db2.gz ZCLLSNUTXGESQG-JTQLQIEISA-N -1 0 344.323 2.317 20 5 EEBDRM Cc1c(C(=O)N2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001607504778 1351507000 /nfs/dbraw/zinc/50/70/00/1351507000.db2.gz SWZFNKGBLBVAJQ-FHOOGIDHSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1c(NC(=O)[C@H](C)c2cnn(C)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607538009 1351512198 /nfs/dbraw/zinc/51/21/98/1351512198.db2.gz FYRVCNNGRWYAKK-MRVPVSSYSA-N -1 0 332.316 2.077 20 5 EEBDRM Cc1cc(N(C)[C@@H]2CCCCN(C)C2=O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607670252 1351536666 /nfs/dbraw/zinc/53/66/66/1351536666.db2.gz URQSYZIVOVRRHQ-CYBMUJFWSA-N -1 0 335.360 2.049 20 5 EEBDRM Cc1cnc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)s1 ZINC001607908205 1351583859 /nfs/dbraw/zinc/58/38/59/1351583859.db2.gz GZNZHMTWJRDJBS-UHFFFAOYSA-N -1 0 337.357 2.113 20 5 EEBDRM Cc1cnn([C@@H]2CC[N@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)c1 ZINC001607917146 1351585118 /nfs/dbraw/zinc/58/51/18/1351585118.db2.gz VQNZACJGJCIYAZ-CQSZACIVSA-N -1 0 330.344 2.245 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001608123288 1351629505 /nfs/dbraw/zinc/62/95/05/1351629505.db2.gz QBSKGBOTYJMUKR-UHFFFAOYSA-N -1 0 338.345 2.004 20 5 EEBDRM Nc1c(Cl)cc(C(=O)N(CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC001608268184 1351659138 /nfs/dbraw/zinc/65/91/38/1351659138.db2.gz ZSRXNPKSRVLBTL-UHFFFAOYSA-N -1 0 341.751 2.300 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccnc1 ZINC001608388993 1351684401 /nfs/dbraw/zinc/68/44/01/1351684401.db2.gz OWUHLOWYIASFBE-GFCCVEGCSA-N -1 0 335.703 2.199 20 5 EEBDRM Nc1ccc2n(C(=O)c3ccncc3[O-])c3ccccc3cc-2c1=O ZINC001188637151 1368309854 /nfs/dbraw/zinc/30/98/54/1368309854.db2.gz ORBSFVSHNVUQKM-UHFFFAOYSA-N -1 0 331.331 2.478 20 5 EEBDRM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606371850 1404805297 /nfs/dbraw/zinc/80/52/97/1404805297.db2.gz PNAMMBOKQLBTSI-ZLDLUXBVSA-N -1 0 348.355 2.067 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)nn1C ZINC000817354303 784692648 /nfs/dbraw/zinc/69/26/48/784692648.db2.gz IONOZSJJTWUBGG-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cccc1-c1nn[nH]n1 ZINC000822116876 787022010 /nfs/dbraw/zinc/02/20/10/787022010.db2.gz ZTTXWVKSXCTGGM-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM C[C@H](OC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000824723681 788287470 /nfs/dbraw/zinc/28/74/70/788287470.db2.gz UFIZIXMGFPKLJX-QMMMGPOBSA-N -1 0 328.288 2.021 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C)cc([N+](=O)[O-])c1C ZINC000172017715 791519032 /nfs/dbraw/zinc/51/90/32/791519032.db2.gz AIIVCEHKIKSAFL-JTQLQIEISA-N -1 0 328.390 2.309 20 5 EEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000786768480 806882436 /nfs/dbraw/zinc/88/24/36/806882436.db2.gz CUESAHBZYDLVDY-NSHDSACASA-N -1 0 348.277 2.341 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C2CC2)cc([N+](=O)[O-])c1C ZINC000805843598 811609372 /nfs/dbraw/zinc/60/93/72/811609372.db2.gz NQTSUKFRDDTMIK-UHFFFAOYSA-N -1 0 340.401 2.453 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000262769800 939070954 /nfs/dbraw/zinc/07/09/54/939070954.db2.gz MEKOIKMYCSEJKY-LBPRGKRZSA-N -1 0 344.776 2.320 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001595233805 949378365 /nfs/dbraw/zinc/37/83/65/949378365.db2.gz RMSCRHJRGIIDMN-CQSZACIVSA-N -1 0 331.280 2.070 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001593755950 954453294 /nfs/dbraw/zinc/45/32/94/954453294.db2.gz WLELGGYNHRFCEZ-UHFFFAOYSA-N -1 0 344.327 2.394 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001589202384 956640696 /nfs/dbraw/zinc/64/06/96/956640696.db2.gz OSYQKCWDUDBBJW-OAHLLOKOSA-N -1 0 346.299 2.352 20 5 EEBDRM Cc1cnc(COC(=O)c2ccc(C(=O)[O-])nc2)c(C)c1[N+](=O)[O-] ZINC001594428603 959152785 /nfs/dbraw/zinc/15/27/85/959152785.db2.gz AJLSTZTUGTWQCK-UHFFFAOYSA-N -1 0 331.284 2.057 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001574226415 960398389 /nfs/dbraw/zinc/39/83/89/960398389.db2.gz XLDHPCKYDGFHMM-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001326204554 961075649 /nfs/dbraw/zinc/07/56/49/961075649.db2.gz TUTJFAFSHVNOCK-NSHDSACASA-N -1 0 335.360 2.354 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001326204552 961075938 /nfs/dbraw/zinc/07/59/38/961075938.db2.gz TUTJFAFSHVNOCK-LLVKDONJSA-N -1 0 335.360 2.354 20 5 EEBDRM CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1(C(=O)[O-])CCCCC1 ZINC000261659644 961385669 /nfs/dbraw/zinc/38/56/69/961385669.db2.gz KMHSUMZFUGRKSU-UHFFFAOYSA-N -1 0 336.344 2.220 20 5 EEBDRM O=C([O-])CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000848599068 969270378 /nfs/dbraw/zinc/27/03/78/969270378.db2.gz CDINXMVSOBBDHP-UHFFFAOYSA-N -1 0 341.751 2.126 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(CC(=O)[O-])no1 ZINC001609991695 970635175 /nfs/dbraw/zinc/63/51/75/970635175.db2.gz ZCAAOMUSIRVLOY-ZCFIWIBFSA-N -1 0 327.680 2.398 20 5 EEBDRM CNc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001604254441 972793848 /nfs/dbraw/zinc/79/38/48/972793848.db2.gz UFSDIVCSVPPULI-AWEZNQCLSA-N -1 0 347.302 2.331 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001603360742 972828640 /nfs/dbraw/zinc/82/86/40/972828640.db2.gz XZFKYLBWIATCCA-AAEUAGOBSA-N -1 0 348.355 2.127 20 5 EEBDRM C[C@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC001603416556 973116325 /nfs/dbraw/zinc/11/63/25/973116325.db2.gz SUSZQADMKOIPFL-CABZTGNLSA-N -1 0 342.298 2.256 20 5 EEBDRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC001605489092 973630305 /nfs/dbraw/zinc/63/03/05/973630305.db2.gz QLLLHLKBCRKDOW-GHMZBOCLSA-N -1 0 348.334 2.162 20 5 EEBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001603610506 973885412 /nfs/dbraw/zinc/88/54/12/973885412.db2.gz ZDEVNHZLLIFESP-INIZCTEOSA-N -1 0 346.343 2.188 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591751135 975801761 /nfs/dbraw/zinc/80/17/61/975801761.db2.gz JPYJLUDBPZNEKM-NEPJUHHUSA-N -1 0 336.344 2.365 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1nc(C(=O)[O-])nc1Cl ZINC001591791138 975981074 /nfs/dbraw/zinc/98/10/74/975981074.db2.gz LMZSJDYUDQFUCI-UHFFFAOYSA-N -1 0 340.723 2.373 20 5 EEBDRM CC(C)n1ccnc1C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001592142652 976990286 /nfs/dbraw/zinc/99/02/86/976990286.db2.gz KVGGLHOLWQNAOV-UHFFFAOYSA-N -1 0 333.300 2.332 20 5 EEBDRM C[C@H](/C=C\C(=O)[O-])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001592203246 977226450 /nfs/dbraw/zinc/22/64/50/977226450.db2.gz YVGJRKVJKAHOBU-ZTHSNPKKSA-N -1 0 344.776 2.486 20 5 EEBDRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001592203495 977228581 /nfs/dbraw/zinc/22/85/81/977228581.db2.gz HRNDLSBNCDQPFT-KVFVURRZSA-N -1 0 343.133 2.116 20 5 EEBDRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001592220150 977392267 /nfs/dbraw/zinc/39/22/67/977392267.db2.gz WQGPQHAXAPADAO-RMGQIXRRSA-N -1 0 347.352 2.477 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccnc1 ZINC001592303437 977656924 /nfs/dbraw/zinc/65/69/24/977656924.db2.gz KBHLZJRUUBMQAJ-INIZCTEOSA-N -1 0 347.302 2.249 20 5 EEBDRM C[C@@H](CC(=O)[O-])C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001592371808 977897932 /nfs/dbraw/zinc/89/79/32/977897932.db2.gz UCTVMXOHNDYYCC-VIFPVBQESA-N -1 0 334.284 2.404 20 5 EEBDRM C[C@@H](CC(=O)[O-])CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001592387719 977930652 /nfs/dbraw/zinc/93/06/52/977930652.db2.gz HNXBHHBUAFCHRQ-SNVBAGLBSA-N -1 0 333.344 2.236 20 5 EEBDRM C[C@@](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001593044550 980333218 /nfs/dbraw/zinc/33/32/18/980333218.db2.gz PXOUMVGWTPRQKI-KRWDZBQOSA-N -1 0 346.314 2.393 20 5 EEBDRM CCCN1C[C@H](CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1=O ZINC001595902861 982965861 /nfs/dbraw/zinc/96/58/61/982965861.db2.gz UOCDNTBWQBEWIR-NSHDSACASA-N -1 0 335.360 2.272 20 5 EEBDRM C/C(=C\C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001588942905 984638968 /nfs/dbraw/zinc/63/89/68/984638968.db2.gz SKCZFWKAGHLDBC-FPUUUQIFSA-N -1 0 340.282 2.080 20 5 EEBDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001599888731 984669029 /nfs/dbraw/zinc/66/90/29/984669029.db2.gz PCMPJYYQCZRHMA-LLVKDONJSA-N -1 0 329.312 2.105 20 5 EEBDRM Cc1c(Br)cc(C(=O)N[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001599970211 985993446 /nfs/dbraw/zinc/99/34/46/985993446.db2.gz CYSOWOSHTSGNPB-LURJTMIESA-N -1 0 345.149 2.259 20 5 EEBDRM C[C@@H]1COCCN1CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001594608217 986591142 /nfs/dbraw/zinc/59/11/42/986591142.db2.gz UDABFPBCAMXNJF-SECBINFHSA-N -1 0 343.767 2.079 20 5 EEBDRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC001589414669 986637228 /nfs/dbraw/zinc/63/72/28/986637228.db2.gz KIFLDVXXQPXAOK-SNVBAGLBSA-N -1 0 329.312 2.108 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001597163764 986975429 /nfs/dbraw/zinc/97/54/29/986975429.db2.gz MKIXVGJRLYRSIN-UHFFFAOYSA-N -1 0 346.295 2.444 20 5 EEBDRM CCS(=O)(=O)CCCCCOc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001597210295 987131199 /nfs/dbraw/zinc/13/11/99/987131199.db2.gz QZXYVQXVJNLNAG-UHFFFAOYSA-N -1 0 345.373 2.277 20 5 EEBDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001589521912 987171698 /nfs/dbraw/zinc/17/16/98/987171698.db2.gz XCCLZSBMTKDPNF-MRVPVSSYSA-N -1 0 330.300 2.012 20 5 EEBDRM C[C@@H]1OCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]1C(F)(F)F ZINC001599882654 989505968 /nfs/dbraw/zinc/50/59/68/989505968.db2.gz XEPZGMKOQUJALS-UFBFGSQYSA-N -1 0 348.277 2.445 20 5 EEBDRM CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598034778 990261598 /nfs/dbraw/zinc/26/15/98/990261598.db2.gz WCIQOCLLCRWOQU-AOOOYVTPSA-N -1 0 326.736 2.112 20 5 EEBDRM CN(C)C(=O)CCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598124233 990552184 /nfs/dbraw/zinc/55/21/84/990552184.db2.gz FYIYUSBJKLBIPT-UHFFFAOYSA-N -1 0 329.740 2.227 20 5 EEBDRM COc1ccc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1[N+](=O)[O-] ZINC001599594712 993734863 /nfs/dbraw/zinc/73/48/63/993734863.db2.gz FLAFUTCIDZRZSZ-CJNGLKHVSA-N -1 0 349.343 2.465 20 5 EEBDRM C[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001593108578 993765097 /nfs/dbraw/zinc/76/50/97/993765097.db2.gz FXXWIGABSJCJFK-DJOIZQNCSA-N -1 0 347.371 2.454 20 5 EEBDRM C[C@@](NC(=O)c1ccc(F)c(O)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593161615 993993665 /nfs/dbraw/zinc/99/36/65/993993665.db2.gz FNCFBEVITLMIIJ-INIZCTEOSA-N -1 0 348.286 2.169 20 5 EEBDRM CNC(=O)C1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001598636488 994255160 /nfs/dbraw/zinc/25/51/60/994255160.db2.gz XBVKEIKUQKILSS-UHFFFAOYSA-N -1 0 335.360 2.318 20 5 EEBDRM COc1cccc([C@H](O)CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001599660051 994642834 /nfs/dbraw/zinc/64/28/34/994642834.db2.gz PRBIQNSQZYKDLY-MRXNPFEDSA-N -1 0 346.339 2.376 20 5 EEBDRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1F ZINC001599489247 996908977 /nfs/dbraw/zinc/90/89/77/996908977.db2.gz GLCRGMSKODFPCB-UHFFFAOYSA-N -1 0 349.274 2.396 20 5 EEBDRM COCC1(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC001599198917 997268418 /nfs/dbraw/zinc/26/84/18/997268418.db2.gz CTPJKZURGUXBCP-UHFFFAOYSA-N -1 0 339.304 2.430 20 5 EEBDRM COCc1nc(Sc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)n[nH]1 ZINC001599308115 997363114 /nfs/dbraw/zinc/36/31/14/997363114.db2.gz IRDOAZLCXLDSAI-UHFFFAOYSA-N -1 0 344.736 2.362 20 5 EEBDRM COCC1CCC(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001599205061 997391978 /nfs/dbraw/zinc/39/19/78/997391978.db2.gz XKEYJWDVNQOAJY-UHFFFAOYSA-N -1 0 336.344 2.228 20 5 EEBDRM COc1cc(OC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1C(=O)[O-] ZINC001599447850 998038120 /nfs/dbraw/zinc/03/81/20/998038120.db2.gz PQRQNJAABQOQLK-UHFFFAOYSA-N -1 0 332.268 2.224 20 5 EEBDRM COc1cc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)ccc1[N+](=O)[O-] ZINC001599351272 998097688 /nfs/dbraw/zinc/09/76/88/998097688.db2.gz KFKNNAZXHDEVLY-CJNGLKHVSA-N -1 0 334.328 2.073 20 5 EEBDRM COCCO[C@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599249677 998207268 /nfs/dbraw/zinc/20/72/68/998207268.db2.gz NTOJLMOYJAAKLQ-VIFPVBQESA-N -1 0 344.751 2.188 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001594207042 998796265 /nfs/dbraw/zinc/79/62/65/998796265.db2.gz VTFZXZXASFCOAC-ZSBIGDGJSA-N -1 0 336.344 2.074 20 5 EEBDRM C[C@@H]1CCn2ncc(C(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c2C1 ZINC001594452140 999651701 /nfs/dbraw/zinc/65/17/01/999651701.db2.gz KUGYLHUMZUFFBL-SECBINFHSA-N -1 0 345.311 2.291 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000187745593 529456474 /nfs/dbraw/zinc/45/64/74/529456474.db2.gz LRRXBVNOVMBGMG-FNIMQGLVSA-N -1 0 340.401 2.110 20 5 EEBDRM C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000263343977 299137114 /nfs/dbraw/zinc/13/71/14/299137114.db2.gz OCKXXFCNJOJOGH-GRYCIOLGSA-N -1 0 335.360 2.408 20 5 EEBDRM CC(C)C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000275164876 201278090 /nfs/dbraw/zinc/27/80/90/201278090.db2.gz BBELEXLAYRJUEP-NSHDSACASA-N -1 0 344.389 2.010 20 5 EEBDRM O=C([O-])[C@H]1CCCCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000282997778 201329392 /nfs/dbraw/zinc/32/93/92/201329392.db2.gz YPVRLXMGLJNWDN-CYBMUJFWSA-N -1 0 342.373 2.003 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nnc1C ZINC000446822259 242222387 /nfs/dbraw/zinc/22/23/87/242222387.db2.gz VPTMNKOTRALCRR-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM O=C([O-])CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000262733208 245151542 /nfs/dbraw/zinc/15/15/42/245151542.db2.gz DRAIXSDGYQJZGH-UHFFFAOYSA-N -1 0 344.776 2.416 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262848266 245211553 /nfs/dbraw/zinc/21/15/53/245211553.db2.gz CWWJRJSQCFCSEB-ZDUSSCGKSA-N -1 0 347.371 2.274 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@H]1C(=O)[O-] ZINC000263071032 245318760 /nfs/dbraw/zinc/31/87/60/245318760.db2.gz UFEKBDMLMAHSLM-WDEREUQCSA-N -1 0 343.339 2.326 20 5 EEBDRM CCC[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000263211379 245362235 /nfs/dbraw/zinc/36/22/35/245362235.db2.gz OYKLLEJIRVNDTO-SNVBAGLBSA-N -1 0 333.344 2.236 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1n1ccnc1 ZINC000160965488 206320551 /nfs/dbraw/zinc/32/05/51/206320551.db2.gz YVNJDIQSWQFXKO-SMDDNHRTSA-N -1 0 330.344 2.220 20 5 EEBDRM O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000155755241 255784418 /nfs/dbraw/zinc/78/44/18/255784418.db2.gz JGBYTFIIMDSTPH-OLZOCXBDSA-N -1 0 330.344 2.411 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C1Cc2ccccc2C1 ZINC000324001153 285156460 /nfs/dbraw/zinc/15/64/60/285156460.db2.gz NDDONJJFCSQKAJ-UHFFFAOYSA-N -1 0 336.344 2.180 20 5 EEBDRM O=C(/C=C/c1ccccc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160854 292226558 /nfs/dbraw/zinc/22/65/58/292226558.db2.gz LIFISYNFRPIDRV-VOTSOKGWSA-N -1 0 338.366 2.175 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N(C)C)cn1 ZINC000116602307 152057328 /nfs/dbraw/zinc/05/73/28/152057328.db2.gz HJKPRKMQUASCNL-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM CCCC[C@@H](NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000262624832 152298822 /nfs/dbraw/zinc/29/88/22/152298822.db2.gz DGFASSQDZNGGBN-GFCCVEGCSA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@H](CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1)C(=O)[O-] ZINC000262275274 160448541 /nfs/dbraw/zinc/44/85/41/160448541.db2.gz YSYAZLNUGPGNPZ-LLVKDONJSA-N -1 0 345.355 2.261 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000263370726 160460103 /nfs/dbraw/zinc/46/01/03/160460103.db2.gz VGOCGZNWULBLQF-GHMZBOCLSA-N -1 0 343.339 2.326 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000263416154 160463376 /nfs/dbraw/zinc/46/33/76/160463376.db2.gz HWFJTLMIIIPWDK-INIZCTEOSA-N -1 0 331.328 2.084 20 5 EEBDRM O=C([O-])c1cc2cc(NC(=O)Cn3ccc([N+](=O)[O-])n3)ccc2s1 ZINC000238208573 160229332 /nfs/dbraw/zinc/22/93/32/160229332.db2.gz XCGPDPAGIYODTK-UHFFFAOYSA-N -1 0 346.324 2.343 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc(C)c2F)c([N+](=O)[O-])n1 ZINC000342772363 161089552 /nfs/dbraw/zinc/08/95/52/161089552.db2.gz BMYPTORIVGUQQY-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cnc(C(F)(F)F)s2)[nH]1 ZINC000352027890 162035943 /nfs/dbraw/zinc/03/59/43/162035943.db2.gz RBMVPWOWDUHFHA-OWOJBTEDSA-N -1 0 334.235 2.442 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnn(-c2cccnc2)c1 ZINC000356292942 163395334 /nfs/dbraw/zinc/39/53/34/163395334.db2.gz KMAVCUXWWJGICO-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CSCc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000359929647 164198465 /nfs/dbraw/zinc/19/84/65/164198465.db2.gz KOHMPDUIYLXDNM-UHFFFAOYSA-N -1 0 333.369 2.488 20 5 EEBDRM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)ccc2[nH]1 ZINC000360030590 164219750 /nfs/dbraw/zinc/21/97/50/164219750.db2.gz HFCJHRLPHSYLOS-UHFFFAOYSA-N -1 0 345.336 2.237 20 5 EEBDRM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000360885516 164396630 /nfs/dbraw/zinc/39/66/30/164396630.db2.gz NQENBMNWSLCCHH-UHFFFAOYSA-N -1 0 342.323 2.394 20 5 EEBDRM Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000361987254 164537790 /nfs/dbraw/zinc/53/77/90/164537790.db2.gz SZUDRNAHCRHIQB-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM CCCCS(=O)(=O)Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000277894753 269195921 /nfs/dbraw/zinc/19/59/21/269195921.db2.gz HOSQBHFAHPNROJ-UHFFFAOYSA-N -1 0 341.345 2.065 20 5 EEBDRM O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000280016930 269322111 /nfs/dbraw/zinc/32/21/11/269322111.db2.gz NBAWIUSYRIROQE-JTQLQIEISA-N -1 0 332.316 2.170 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)c([N+](=O)[O-])c1 ZINC000180192242 274006135 /nfs/dbraw/zinc/00/61/35/274006135.db2.gz QBPJTCGSYJJDKM-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000292468374 275433280 /nfs/dbraw/zinc/43/32/80/275433280.db2.gz HHWUZZZLEIMQFY-CABCVRRESA-N -1 0 332.356 2.474 20 5 EEBDRM CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000297346759 287839665 /nfs/dbraw/zinc/83/96/65/287839665.db2.gz YVQXBQJOZZXSFA-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC000236706118 278620145 /nfs/dbraw/zinc/62/01/45/278620145.db2.gz UGYIJKJIXXJMNL-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM CN1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000368319824 290031453 /nfs/dbraw/zinc/03/14/53/290031453.db2.gz UYRSIGVJHMUEBD-UHFFFAOYSA-N -1 0 327.340 2.393 20 5 EEBDRM C[C@H](CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000237381450 298477848 /nfs/dbraw/zinc/47/78/48/298477848.db2.gz GKTRYIDZJFUGEJ-SNVBAGLBSA-N -1 0 347.371 2.494 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(F)(F)C(F)F ZINC000192131180 302047104 /nfs/dbraw/zinc/04/71/04/302047104.db2.gz SJFVAOXGDFIJLJ-UHFFFAOYSA-N -1 0 330.259 2.082 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000321505649 311596818 /nfs/dbraw/zinc/59/68/18/311596818.db2.gz ZVPHEOCTUKOFFD-LBPRGKRZSA-N -1 0 334.250 2.447 20 5 EEBDRM CCN(CC(=O)N1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331976543 311931745 /nfs/dbraw/zinc/93/17/45/311931745.db2.gz LYMJEVHXIKJLDR-UHFFFAOYSA-N -1 0 349.387 2.165 20 5 EEBDRM Cc1cccc(N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1[N+](=O)[O-] ZINC000416452149 313226699 /nfs/dbraw/zinc/22/66/99/313226699.db2.gz ZYPVILOHVREGKS-OLZOCXBDSA-N -1 0 335.360 2.025 20 5 EEBDRM COc1ccc([C@H](CCO)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436900202 315011043 /nfs/dbraw/zinc/01/10/43/315011043.db2.gz MKXOZWVMOWNBKI-HNNXBMFYSA-N -1 0 346.339 2.163 20 5 EEBDRM O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436952675 315015912 /nfs/dbraw/zinc/01/59/12/315015912.db2.gz XRONNTIAKVBVJZ-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM CCCc1n[nH]c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000449135548 315421730 /nfs/dbraw/zinc/42/17/30/315421730.db2.gz QCKMAQMRJXDGNV-JTQLQIEISA-N -1 0 340.380 2.280 20 5 EEBDRM CCOC(=O)N(C)C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000495795711 316110525 /nfs/dbraw/zinc/11/05/25/316110525.db2.gz QBFMCAXMLKXEIV-UHFFFAOYSA-N -1 0 337.376 2.353 20 5 EEBDRM COc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1OC ZINC000515860643 316522584 /nfs/dbraw/zinc/52/25/84/316522584.db2.gz JZQZTUQRGYDPJZ-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM CO[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000516295626 316551587 /nfs/dbraw/zinc/55/15/87/316551587.db2.gz WBMWOUJWBFZFEI-PRHODGIISA-N -1 0 328.752 2.451 20 5 EEBDRM COc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000539606019 318057962 /nfs/dbraw/zinc/05/79/62/318057962.db2.gz PKKJAJCAAZDDSB-INIZCTEOSA-N -1 0 344.323 2.088 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@H](C)CCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000548226580 318366470 /nfs/dbraw/zinc/36/64/70/318366470.db2.gz SVFKPVMJJFGUBU-LLVKDONJSA-N -1 0 344.389 2.215 20 5 EEBDRM CCC(C)(C)[C@@H](NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000563711759 319038979 /nfs/dbraw/zinc/03/89/79/319038979.db2.gz AZDJYRQMHOYGJJ-LBPRGKRZSA-N -1 0 344.389 2.071 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000565835635 319219254 /nfs/dbraw/zinc/21/92/54/319219254.db2.gz GMXPAZVJNBVVDN-LLVKDONJSA-N -1 0 335.341 2.327 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000570615077 319680942 /nfs/dbraw/zinc/68/09/42/319680942.db2.gz IHWNKKMRIIOFFR-LBPRGKRZSA-N -1 0 335.360 2.034 20 5 EEBDRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000571003782 319716917 /nfs/dbraw/zinc/71/69/17/319716917.db2.gz VDGBQVVKZIHUNW-CYBMUJFWSA-N -1 0 343.339 2.196 20 5 EEBDRM C[C@H](O)CN(CC(F)F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000581668550 324300452 /nfs/dbraw/zinc/30/04/52/324300452.db2.gz LPGXPGZRSKCKKG-LURJTMIESA-N -1 0 338.694 2.042 20 5 EEBDRM Cc1cnc(NCCc2ccc(OCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000582125031 324386430 /nfs/dbraw/zinc/38/64/30/324386430.db2.gz DANWJXFIAWOYOM-UHFFFAOYSA-N -1 0 331.328 2.416 20 5 EEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccoc2)c(C)c([N+](=O)[O-])c1 ZINC000350971138 465047363 /nfs/dbraw/zinc/04/73/63/465047363.db2.gz LQHWQVRWABQFRV-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM COc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC000328241644 465058353 /nfs/dbraw/zinc/05/83/53/465058353.db2.gz AHJDZAATENNDKY-ZDUSSCGKSA-N -1 0 344.323 2.202 20 5 EEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC000074818835 462638490 /nfs/dbraw/zinc/63/84/90/462638490.db2.gz RPAMGFGWXGQPLC-UHFFFAOYSA-N -1 0 330.325 2.339 20 5 EEBDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000007053240 462719571 /nfs/dbraw/zinc/71/95/71/462719571.db2.gz DZFFMFZWTFATAJ-UHFFFAOYSA-N -1 0 336.325 2.182 20 5 EEBDRM COc1ccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000013254411 462887880 /nfs/dbraw/zinc/88/78/80/462887880.db2.gz MLSCYDBRENAKOD-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000024661936 463093311 /nfs/dbraw/zinc/09/33/11/463093311.db2.gz OIRQRXLRKCJSOI-LBPRGKRZSA-N -1 0 344.323 2.212 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000124370765 463414978 /nfs/dbraw/zinc/41/49/78/463414978.db2.gz SJVJWNLQGKIAEN-JTQLQIEISA-N -1 0 346.391 2.281 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)[nH]n2)cc1 ZINC000151433562 463530640 /nfs/dbraw/zinc/53/06/40/463530640.db2.gz YTHHYCPFBPYLAZ-UHFFFAOYSA-N -1 0 345.340 2.181 20 5 EEBDRM COc1nc(C)cc(C)c1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356512428 465427977 /nfs/dbraw/zinc/42/79/77/465427977.db2.gz LPDFZBKISAHCPO-UHFFFAOYSA-N -1 0 331.328 2.251 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000165463565 463643750 /nfs/dbraw/zinc/64/37/50/463643750.db2.gz HYTGRIULYQGSKC-JTQLQIEISA-N -1 0 326.736 2.114 20 5 EEBDRM CC(C)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000185337698 463804417 /nfs/dbraw/zinc/80/44/17/463804417.db2.gz GIYLTQXJPUEOJM-GFCCVEGCSA-N -1 0 328.752 2.406 20 5 EEBDRM O=C([O-])C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000178180461 463857064 /nfs/dbraw/zinc/85/70/64/463857064.db2.gz QCBANKXFCOVMBL-UHFFFAOYSA-N -1 0 326.736 2.114 20 5 EEBDRM CC(C)C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000262467447 464027962 /nfs/dbraw/zinc/02/79/62/464027962.db2.gz ZFSBZZYXVPERHN-CYBMUJFWSA-N -1 0 333.344 2.165 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000263199656 464061220 /nfs/dbraw/zinc/06/12/20/464061220.db2.gz MGBOAELHWKVNTH-NWDGAFQWSA-N -1 0 336.344 2.075 20 5 EEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc(C(=O)[O-])cn1 ZINC000263256618 464071498 /nfs/dbraw/zinc/07/14/98/464071498.db2.gz IPVIECIKMASFOB-UHFFFAOYSA-N -1 0 344.327 2.134 20 5 EEBDRM O=c1[n-]nc(C2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)o1 ZINC000285543973 464604658 /nfs/dbraw/zinc/60/46/58/464604658.db2.gz ICILFPSKFLNEMI-UHFFFAOYSA-N -1 0 341.327 2.203 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncnn1C(C)(C)C ZINC000282408515 464806872 /nfs/dbraw/zinc/80/68/72/464806872.db2.gz ZWVOAOAFWQBTNQ-UHFFFAOYSA-N -1 0 339.377 2.051 20 5 EEBDRM CCOC(=O)[C@@H](CC)N(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000276197334 464843006 /nfs/dbraw/zinc/84/30/06/464843006.db2.gz JKDSCZHBHJVYNP-GFCCVEGCSA-N -1 0 336.344 2.247 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1[N+](=O)[O-] ZINC000359862052 465497077 /nfs/dbraw/zinc/49/70/77/465497077.db2.gz ZKMGDMRUZPBTKH-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c([N+](=O)[O-])n1 ZINC000339688044 465443956 /nfs/dbraw/zinc/44/39/56/465443956.db2.gz KKUUWQVSKQTHTQ-UHFFFAOYSA-N -1 0 335.345 2.093 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](CCO)c1ccccc1 ZINC000356729308 465510292 /nfs/dbraw/zinc/51/02/92/465510292.db2.gz OLLHKJXSIMYVSR-CQSZACIVSA-N -1 0 330.340 2.496 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nnc2ccccn21 ZINC000360257880 465547463 /nfs/dbraw/zinc/54/74/63/465547463.db2.gz MRDXRWHCLWSEGL-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000591302336 468442794 /nfs/dbraw/zinc/44/27/94/468442794.db2.gz DFVKBWXFWJDBRE-VIFPVBQESA-N -1 0 332.316 2.237 20 5 EEBDRM COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000349105672 465971240 /nfs/dbraw/zinc/97/12/40/465971240.db2.gz HAPLXMUSAKMDDK-GQCTYLIASA-N -1 0 345.311 2.205 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nn2)cc1 ZINC000361854294 466351688 /nfs/dbraw/zinc/35/16/88/466351688.db2.gz RLJQWZKPGNVKBP-UHFFFAOYSA-N -1 0 348.262 2.204 20 5 EEBDRM CN(C)c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)ccc2[nH]1 ZINC000338921765 466487771 /nfs/dbraw/zinc/48/77/71/466487771.db2.gz UJTQWOSYHLKJCB-UHFFFAOYSA-N -1 0 341.327 2.495 20 5 EEBDRM CC(C)N(CC1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000322457766 466632412 /nfs/dbraw/zinc/63/24/12/466632412.db2.gz KIFGIMYMPRHMOL-UHFFFAOYSA-N -1 0 342.373 2.102 20 5 EEBDRM Nc1c(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000375067729 466794450 /nfs/dbraw/zinc/79/44/50/466794450.db2.gz YUVIYZBSSNAKPK-ZDUSSCGKSA-N -1 0 341.323 2.001 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)ccc1[N+](=O)[O-] ZINC000378610011 467353595 /nfs/dbraw/zinc/35/35/95/467353595.db2.gz QPECCOJCPVWLOQ-UHFFFAOYSA-N -1 0 336.373 2.237 20 5 EEBDRM CCCC[C@@H](NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000390731171 467410737 /nfs/dbraw/zinc/41/07/37/467410737.db2.gz NMSRDLLVAXUDMU-GFCCVEGCSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C(NCCN1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436669570 467549681 /nfs/dbraw/zinc/54/96/81/467549681.db2.gz AMLVUUGUXFDEKT-UHFFFAOYSA-N -1 0 341.367 2.089 20 5 EEBDRM CC(C)c1ncc(CN(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000442982211 467578464 /nfs/dbraw/zinc/57/84/64/467578464.db2.gz WTRWRMYTNUZPMH-UHFFFAOYSA-N -1 0 330.344 2.486 20 5 EEBDRM Cc1ccc(C[C@@H](CO)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1C ZINC000515485921 467994683 /nfs/dbraw/zinc/99/46/83/467994683.db2.gz DCCRXSWRHNGSTP-ZDUSSCGKSA-N -1 0 345.355 2.320 20 5 EEBDRM CCOC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOCC1 ZINC000597467605 468566429 /nfs/dbraw/zinc/56/64/29/468566429.db2.gz RGRBVONDXVXUQF-UHFFFAOYSA-N -1 0 344.751 2.478 20 5 EEBDRM C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594540096 468617637 /nfs/dbraw/zinc/61/76/37/468617637.db2.gz AANNKOMMDFIOHM-INTQDDNPSA-N -1 0 335.360 2.241 20 5 EEBDRM CCCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC000592141531 468635834 /nfs/dbraw/zinc/63/58/34/468635834.db2.gz GLCCLZUQOOYEOG-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM C[C@H]1[C@@H](C(F)(F)F)OCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000594733942 468667922 /nfs/dbraw/zinc/66/79/22/468667922.db2.gz KSRBWWGQUVXDQX-UFBFGSQYSA-N -1 0 348.277 2.445 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@@H]3CCCCO3)C2)n1 ZINC000594734545 468668102 /nfs/dbraw/zinc/66/81/02/468668102.db2.gz ASPBAUAWWJGNHK-RISCZKNCSA-N -1 0 335.360 2.474 20 5 EEBDRM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000597869660 468698831 /nfs/dbraw/zinc/69/88/31/468698831.db2.gz MEIAXKYJIMRFEQ-JTQLQIEISA-N -1 0 338.360 2.493 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CCSC3)C2)n1 ZINC000583633603 468731918 /nfs/dbraw/zinc/73/19/18/468731918.db2.gz NWOBYCFWNXSLGP-LKFCYVNXSA-N -1 0 339.373 2.155 20 5 EEBDRM O=C([O-])c1csc(CN2CCOc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000595279951 468799244 /nfs/dbraw/zinc/79/92/44/468799244.db2.gz KYOZCXXOELEURE-UHFFFAOYSA-N -1 0 335.341 2.144 20 5 EEBDRM CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)[O-] ZINC000595282899 468799602 /nfs/dbraw/zinc/79/96/02/468799602.db2.gz RWCCKTVREJLCNN-ZJUUUORDSA-N -1 0 326.374 2.397 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](c2ccnn2C)C(C)C)n1 ZINC000592978499 468833079 /nfs/dbraw/zinc/83/30/79/468833079.db2.gz NJEMCGSPMZQABV-LBPRGKRZSA-N -1 0 347.375 2.582 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000561969373 468913156 /nfs/dbraw/zinc/91/31/56/468913156.db2.gz NNIJWXFEUPVVME-SNVBAGLBSA-N -1 0 348.277 2.484 20 5 EEBDRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598584129 468922974 /nfs/dbraw/zinc/92/29/74/468922974.db2.gz JLCGWQGCMBOFRI-JTQLQIEISA-N -1 0 344.389 2.085 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000598662271 468950496 /nfs/dbraw/zinc/95/04/96/468950496.db2.gz VHXNFNXWGSAQMQ-BXUZGUMPSA-N -1 0 335.360 2.419 20 5 EEBDRM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1C ZINC000598734423 468978700 /nfs/dbraw/zinc/97/87/00/468978700.db2.gz MGTMBJAVWVIFRR-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1n[n-]c(=O)o1 ZINC000598746836 468984626 /nfs/dbraw/zinc/98/46/26/468984626.db2.gz VOICQEJUVPUUDK-UHFFFAOYSA-N -1 0 338.345 2.068 20 5 EEBDRM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000614898338 469087486 /nfs/dbraw/zinc/08/74/86/469087486.db2.gz VITQALJZEOSTDN-ZDUSSCGKSA-N -1 0 348.277 2.484 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1CCNc1ncc([N+](=O)[O-])cc1C ZINC000573328769 469108764 /nfs/dbraw/zinc/10/87/64/469108764.db2.gz YBNYKTCOQOUKTO-UHFFFAOYSA-N -1 0 331.328 2.660 20 5 EEBDRM CS(=O)(=O)c1ccc2[nH]c(-c3ccc([O-])c([N+](=O)[O-])c3)nc2c1 ZINC000611145873 469173869 /nfs/dbraw/zinc/17/38/69/469173869.db2.gz XUQPENBWMVGLIL-UHFFFAOYSA-N -1 0 333.325 2.247 20 5 EEBDRM CC(C)(C)c1cc(NCc2ccc([N+](=O)[O-])cc2)nc(C(=O)[O-])n1 ZINC000573687796 469186768 /nfs/dbraw/zinc/18/67/68/469186768.db2.gz LEKXUWRKRMPPFI-UHFFFAOYSA-N -1 0 330.344 2.415 20 5 EEBDRM O=C([O-])c1ccnc(N2Cc3ccc(O)cc3C3(CC3)C2)c1[N+](=O)[O-] ZINC000563205093 469198613 /nfs/dbraw/zinc/19/86/13/469198613.db2.gz JUYIHCKKNBNZPO-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@@H]1C ZINC000574036475 469249867 /nfs/dbraw/zinc/24/98/67/469249867.db2.gz RZMCJCQGUNLJLB-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM C[C@H](c1ccccc1)[C@H](CO)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611559633 469279445 /nfs/dbraw/zinc/27/94/45/469279445.db2.gz UABCTDPWGOYDIJ-BZNIZROVSA-N -1 0 330.340 2.195 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000599864725 469396747 /nfs/dbraw/zinc/39/67/47/469396747.db2.gz ULTWRJUPDALZBH-GRYCIOLGSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C1NCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccccc1F ZINC000612403962 469457181 /nfs/dbraw/zinc/45/71/81/469457181.db2.gz HOMJKNDHOPBJSK-MRXNPFEDSA-N -1 0 345.330 2.113 20 5 EEBDRM CCCn1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])nn1 ZINC000612627877 469511858 /nfs/dbraw/zinc/51/18/58/469511858.db2.gz ZGAWNESZUXCACE-UHFFFAOYSA-N -1 0 325.712 2.208 20 5 EEBDRM O=C(NCCN1CCCc2ccccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000608783303 469877118 /nfs/dbraw/zinc/87/71/18/469877118.db2.gz CEJHOWBQZDKFDB-UHFFFAOYSA-N -1 0 341.367 2.483 20 5 EEBDRM Cc1c(Cn2nnc(-c3ccc(C(=O)[O-])cc3)n2)cccc1[N+](=O)[O-] ZINC000738290953 578008164 /nfs/dbraw/zinc/00/81/64/578008164.db2.gz NNWCGAFXNGKCCG-UHFFFAOYSA-N -1 0 339.311 2.303 20 5 EEBDRM Cc1nn(CCC(=O)Oc2ccc(C(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000738381475 578011883 /nfs/dbraw/zinc/01/18/83/578011883.db2.gz FAAKCPABYSPCRI-UHFFFAOYSA-N -1 0 333.300 2.102 20 5 EEBDRM COc1cccc(C(=O)[O-])c1OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000738085320 576448434 /nfs/dbraw/zinc/44/84/34/576448434.db2.gz NMGRHJGDYHPNBI-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM CC(C)(O)c1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000775219237 577433024 /nfs/dbraw/zinc/43/30/24/577433024.db2.gz ZWHGFNVNCUCWNU-UHFFFAOYSA-N -1 0 330.340 2.458 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000776507598 577461196 /nfs/dbraw/zinc/46/11/96/577461196.db2.gz OXWNFOJQQFHCBZ-JOYOIKCWSA-N -1 0 340.401 2.453 20 5 EEBDRM CSc1cccc(C(=O)[N-]S(=O)(=O)CC(C)C)c1[N+](=O)[O-] ZINC000777299982 577476251 /nfs/dbraw/zinc/47/62/51/577476251.db2.gz GIISLZOEEWOHBB-UHFFFAOYSA-N -1 0 332.403 2.032 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cs1 ZINC000768864393 577564573 /nfs/dbraw/zinc/56/45/73/577564573.db2.gz PSJQTARLDSTEBR-UHFFFAOYSA-N -1 0 342.354 2.228 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000763928915 577728097 /nfs/dbraw/zinc/72/80/97/577728097.db2.gz SWIJDPPDRYEHHR-SECBINFHSA-N -1 0 340.382 2.265 20 5 EEBDRM O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)c2cncc(F)c2)c1 ZINC000757347855 577859252 /nfs/dbraw/zinc/85/92/52/577859252.db2.gz JLFMBDSHLGPERK-UHFFFAOYSA-N -1 0 345.739 2.261 20 5 EEBDRM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000744132832 577893227 /nfs/dbraw/zinc/89/32/27/577893227.db2.gz RZHPORAYZNOJNH-IUCAKERBSA-N -1 0 332.403 2.288 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCCC3)ccc1[N+](=O)[O-] ZINC000747476951 577945209 /nfs/dbraw/zinc/94/52/09/577945209.db2.gz ASLARYHYIQUZMM-LBPRGKRZSA-N -1 0 338.385 2.288 20 5 EEBDRM O=C([O-])CCSCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000739744307 578066426 /nfs/dbraw/zinc/06/64/26/578066426.db2.gz MIWRFBXPDKFZAO-UHFFFAOYSA-N -1 0 346.792 2.115 20 5 EEBDRM O=C([O-])CCSc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000739753881 578066692 /nfs/dbraw/zinc/06/66/92/578066692.db2.gz RJOMEHPVCDVYOJ-UHFFFAOYSA-N -1 0 341.313 2.158 20 5 EEBDRM O=Cc1cccc(OCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000740318999 578090170 /nfs/dbraw/zinc/09/01/70/578090170.db2.gz XOLWASTZHHHDIT-UHFFFAOYSA-N -1 0 344.279 2.123 20 5 EEBDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000736427216 578203322 /nfs/dbraw/zinc/20/33/22/578203322.db2.gz RJTPGCQJARTSRZ-LLVKDONJSA-N -1 0 328.296 2.459 20 5 EEBDRM CC(C)C[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000736428953 578203406 /nfs/dbraw/zinc/20/34/06/578203406.db2.gz ZCCQHLQJQRDHJU-AWEZNQCLSA-N -1 0 347.327 2.437 20 5 EEBDRM CC(C)N1CC[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000736474579 578206542 /nfs/dbraw/zinc/20/65/42/578206542.db2.gz MZJSIAGDHGBWMX-DIECRNLCSA-N -1 0 333.344 2.114 20 5 EEBDRM C[C@@H](CC(=O)[O-])SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000736551144 578210749 /nfs/dbraw/zinc/21/07/49/578210749.db2.gz AKIBDZPFRIVHTD-VIFPVBQESA-N -1 0 340.357 2.489 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CCCC(C)(C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657465 578216842 /nfs/dbraw/zinc/21/68/42/578216842.db2.gz SGEZSAOQZFKKFZ-NSHDSACASA-N -1 0 349.387 2.424 20 5 EEBDRM CCNc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000737130379 578239809 /nfs/dbraw/zinc/23/98/09/578239809.db2.gz ZNECUSSFVWSWHQ-UHFFFAOYSA-N -1 0 335.360 2.400 20 5 EEBDRM COc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000737985351 578275458 /nfs/dbraw/zinc/27/54/58/578275458.db2.gz VPKJNYHLTFERGP-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM COc1ccc(CC(=O)Oc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000737985434 578275461 /nfs/dbraw/zinc/27/54/61/578275461.db2.gz XJTVIJNSWWYSHX-UHFFFAOYSA-N -1 0 345.307 2.379 20 5 EEBDRM CC(C)n1ccc(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000827192793 600889143 /nfs/dbraw/zinc/88/91/43/600889143.db2.gz KBFXZQCZLIXSHT-UHFFFAOYSA-N -1 0 332.316 2.252 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cnn(CC3CC3)c2)cc([N+](=O)[O-])c1 ZINC000833297878 600962220 /nfs/dbraw/zinc/96/22/20/600962220.db2.gz LEXLXWZKADBMCY-UHFFFAOYSA-N -1 0 330.300 2.152 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000833091081 601077837 /nfs/dbraw/zinc/07/78/37/601077837.db2.gz JDHXOOAHBXRUSK-CYBMUJFWSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCCOc2cccc([N+](=O)[O-])c2)C1 ZINC000833190415 601180968 /nfs/dbraw/zinc/18/09/68/601180968.db2.gz WZZPBKVVSLQWAT-VXGBXAGGSA-N -1 0 337.328 2.408 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)[O-] ZINC000832098195 601440569 /nfs/dbraw/zinc/44/05/69/601440569.db2.gz YIBRDEFHKRCHFR-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOc3ccc(F)cc32)cc([N+](=O)[O-])c1 ZINC000833295977 601742684 /nfs/dbraw/zinc/74/26/84/601742684.db2.gz IIDBRDZNTVTAAP-UHFFFAOYSA-N -1 0 346.270 2.471 20 5 EEBDRM O=C([O-])c1sccc1Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC000833348064 601810033 /nfs/dbraw/zinc/81/00/33/601810033.db2.gz MVJSRYJMJVJPTA-UHFFFAOYSA-N -1 0 347.308 2.220 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1F ZINC000833125250 601820730 /nfs/dbraw/zinc/82/07/30/601820730.db2.gz TZMZUSZLEVTFQC-CYBMUJFWSA-N -1 0 336.250 2.429 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N[C@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000833251645 602013430 /nfs/dbraw/zinc/01/34/30/602013430.db2.gz AAFACGIQILAFSG-VIFPVBQESA-N -1 0 343.286 2.009 20 5 EEBDRM COC(=O)N1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000831204581 602315824 /nfs/dbraw/zinc/31/58/24/602315824.db2.gz YEBDDEANCXKGDX-JTQLQIEISA-N -1 0 337.332 2.244 20 5 EEBDRM Cc1cc([C@H](C)OC(=O)CCn2cc([N+](=O)[O-])cn2)oc1C(=O)[O-] ZINC000832872582 604575452 /nfs/dbraw/zinc/57/54/52/604575452.db2.gz QZPFJNZEPDPTEY-VIFPVBQESA-N -1 0 337.288 2.085 20 5 EEBDRM CC(C)(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833413514 604995904 /nfs/dbraw/zinc/99/59/04/604995904.db2.gz QAVIEFKCEXNJLB-JTQLQIEISA-N -1 0 330.287 2.097 20 5 EEBDRM CC(=O)N1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000833393080 605061936 /nfs/dbraw/zinc/06/19/36/605061936.db2.gz GUBFBKIUDXCRHM-YBGXSUTOSA-N -1 0 347.371 2.361 20 5 EEBDRM CC(=O)OC1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000833400819 605169926 /nfs/dbraw/zinc/16/99/26/605169926.db2.gz QCAMWRVXHNROPM-UHFFFAOYSA-N -1 0 342.735 2.478 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000262198193 684413312 /nfs/dbraw/zinc/41/33/12/684413312.db2.gz UKVMIWYYIYKCSG-LLVKDONJSA-N -1 0 336.344 2.320 20 5 EEBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000842334317 1188641621 /nfs/dbraw/zinc/64/16/21/1188641621.db2.gz UWALGVAMGAVBKS-SNVBAGLBSA-N -1 0 344.389 2.240 20 5 EEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879763679 1201246700 /nfs/dbraw/zinc/24/67/00/1201246700.db2.gz GSYDZNAFCSQSHF-CYBMUJFWSA-N -1 0 349.284 2.377 20 5 EEBDRM CSc1nc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000778252891 1207981474 /nfs/dbraw/zinc/98/14/74/1207981474.db2.gz VIXIQYIEWBLQHW-UHFFFAOYSA-N -1 0 329.288 2.165 20 5 EEBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000778823540 1208363448 /nfs/dbraw/zinc/36/34/48/1208363448.db2.gz RAFWWTRIHBHDMD-UHFFFAOYSA-N -1 0 334.353 2.163 20 5 EEBDRM O=C(NC[C@]1(O)CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779671848 1210746113 /nfs/dbraw/zinc/74/61/13/1210746113.db2.gz ZUFRIVPKFLOZMU-GOSISDBHSA-N -1 0 342.351 2.254 20 5 EEBDRM Cc1c2cccc(-c3noc(-c4nc[n-]c4[N+](=O)[O-])n3)c2nn1C ZINC001212893050 1214378366 /nfs/dbraw/zinc/37/83/66/1214378366.db2.gz KFBBZVRQBAAWCZ-UHFFFAOYSA-N -1 0 325.288 2.230 20 5 EEBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2cncc(C(F)(F)F)c2)no1 ZINC001212894328 1214393372 /nfs/dbraw/zinc/39/33/72/1214393372.db2.gz WEOLWWMFSKXRBD-UHFFFAOYSA-N -1 0 326.194 2.449 20 5 EEBDRM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000133550978 1249094668 /nfs/dbraw/zinc/09/46/68/1249094668.db2.gz CXMCXIWKUKHIJE-UHFFFAOYSA-N -1 0 349.796 2.072 20 5 EEBDRM COC(=O)c1ncc2n1CCC[C@H]2Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225493907 1301022894 /nfs/dbraw/zinc/02/28/94/1301022894.db2.gz IDUSPQBKGLPAPQ-GFCCVEGCSA-N -1 0 333.300 2.197 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC001226651701 1301494537 /nfs/dbraw/zinc/49/45/37/1301494537.db2.gz HPKFKRFTLMZIQG-CYBMUJFWSA-N -1 0 345.311 2.407 20 5 EEBDRM Cc1nnc(=S)[n-]c1O[C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227597874 1301902233 /nfs/dbraw/zinc/90/22/33/1301902233.db2.gz DWDYVIWHNBUTGK-ZETCQYMHSA-N -1 0 336.329 2.246 20 5 EEBDRM COc1ccc2c(c1)nc(=O)[n-]c2O[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001229137223 1302636175 /nfs/dbraw/zinc/63/61/75/1302636175.db2.gz JHETVVQSRVYPGI-AWEZNQCLSA-N -1 0 342.311 2.136 20 5 EEBDRM O=C([O-])C[C@@H](O)C(=O)Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC001230938600 1303554412 /nfs/dbraw/zinc/55/44/12/1303554412.db2.gz AGFGHMNOVITWBC-CQSZACIVSA-N -1 0 331.280 2.003 20 5 EEBDRM CC(C)C[C@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C(=O)OC(C)C ZINC001231071809 1303610837 /nfs/dbraw/zinc/61/08/37/1303610837.db2.gz LPZCJXYSTMSTFD-QMMMGPOBSA-N -1 0 347.755 2.489 20 5 EEBDRM COC(=O)C[C@H]1CCC[C@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231077227 1303613908 /nfs/dbraw/zinc/61/39/08/1303613908.db2.gz SJDWBMACCWURDU-YUMQZZPRSA-N -1 0 345.739 2.245 20 5 EEBDRM O=[N+]([O-])c1cccc([C@H]([N-]S(=O)(=O)C2CC2)C(F)(F)F)c1F ZINC000840954072 1315445290 /nfs/dbraw/zinc/44/52/90/1315445290.db2.gz CPPURSQTOJRDPQ-JTQLQIEISA-N -1 0 342.270 2.419 20 5 EEBDRM CC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842404365 1315698354 /nfs/dbraw/zinc/69/83/54/1315698354.db2.gz QNNVXKFXRYESJT-SNVBAGLBSA-N -1 0 328.390 2.285 20 5 EEBDRM Cc1cc(C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)ccc1[N+](=O)[O-] ZINC001600085518 1349968438 /nfs/dbraw/zinc/96/84/38/1349968438.db2.gz XFWLLALYRGACTD-UHFFFAOYSA-N -1 0 341.323 2.195 20 5 EEBDRM Nc1c(Cl)cc(C(=O)NCC2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC001601209940 1350231857 /nfs/dbraw/zinc/23/18/57/1350231857.db2.gz AURKTVIZNLJYOD-UHFFFAOYSA-N -1 0 341.751 2.205 20 5 EEBDRM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601286194 1350249321 /nfs/dbraw/zinc/24/93/21/1350249321.db2.gz PVMIDJMFTGJZJL-KYZUINATSA-N -1 0 326.736 2.160 20 5 EEBDRM O=C([O-])C1(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC001601376580 1350270201 /nfs/dbraw/zinc/27/02/01/1350270201.db2.gz VBMHVPVJOMINHJ-UHFFFAOYSA-N -1 0 337.331 2.315 20 5 EEBDRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])c1ccsc1[N+](=O)[O-] ZINC001603373542 1350697842 /nfs/dbraw/zinc/69/78/42/1350697842.db2.gz BWIKACQHADDJPZ-UHFFFAOYSA-N -1 0 330.362 2.279 20 5 EEBDRM CCC(CC)(NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001605010579 1351052965 /nfs/dbraw/zinc/05/29/65/1351052965.db2.gz NPBTYFRQNDHTCQ-UHFFFAOYSA-N -1 0 338.360 2.432 20 5 EEBDRM Cc1cc(OCC(=O)N(C)C2(C(=O)[O-])CCCC2)ccc1[N+](=O)[O-] ZINC001607699401 1351541938 /nfs/dbraw/zinc/54/19/38/1351541938.db2.gz SRBAKDUTQPFYMS-UHFFFAOYSA-N -1 0 336.344 2.138 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCC2CCC=CCC2)ccc1[O-] ZINC001309882579 1331646105 /nfs/dbraw/zinc/64/61/05/1331646105.db2.gz CYOWEEGNNIBMME-UHFFFAOYSA-N -1 0 326.374 2.325 20 5 EEBDRM O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC001608656577 1351734981 /nfs/dbraw/zinc/73/49/81/1351734981.db2.gz VVZYEUHRZUUNBZ-CYBMUJFWSA-N -1 0 348.336 2.317 20 5 EEBDRM O=C([O-])CC1CC(OC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC001608693301 1351743277 /nfs/dbraw/zinc/74/32/77/1351743277.db2.gz CHZTWGDLDUICCM-UHFFFAOYSA-N -1 0 325.342 2.483 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2CCCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC001608830681 1351773412 /nfs/dbraw/zinc/77/34/12/1351773412.db2.gz WQHCYBRBMQZLKP-UHFFFAOYSA-N -1 0 342.735 2.290 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001608835605 1351774764 /nfs/dbraw/zinc/77/47/64/1351774764.db2.gz OXIHIYRJLKUNQD-LLVKDONJSA-N -1 0 345.311 2.301 20 5 EEBDRM O=C([N-]S(=O)(=O)C(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001317859466 1332434274 /nfs/dbraw/zinc/43/42/74/1332434274.db2.gz KBZGPGKDCJFAAK-UHFFFAOYSA-N -1 0 336.297 2.092 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc(C(F)F)[nH]n2)cc([N+](=O)[O-])c1 ZINC001608855420 1351779320 /nfs/dbraw/zinc/77/93/20/1351779320.db2.gz MXLFYRVMCAHJLL-UHFFFAOYSA-N -1 0 326.215 2.206 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(C[C@H]2CCCC23CCOCC3)c1 ZINC001608862761 1351780806 /nfs/dbraw/zinc/78/08/06/1351780806.db2.gz DMDOOZXBOONTMR-GFCCVEGCSA-N -1 0 336.344 2.052 20 5 EEBDRM O=C([O-])c1ccc(C(=O)COC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC001608871381 1351782673 /nfs/dbraw/zinc/78/26/73/1351782673.db2.gz ROXPDLNSIGDSPS-UHFFFAOYSA-N -1 0 335.293 2.394 20 5 EEBDRM O=C([O-])c1cccc(OS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001608937610 1351798352 /nfs/dbraw/zinc/79/83/52/1351798352.db2.gz HDGQHWYQYISRLZ-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001609025628 1351818222 /nfs/dbraw/zinc/81/82/22/1351818222.db2.gz LUKQZTCDWDHYRL-UHFFFAOYSA-N -1 0 326.648 2.291 20 5 EEBDRM O=C([O-])c1cnc(Nc2ccc3c(c2)COC(=O)N3)c([N+](=O)[O-])c1 ZINC001609046457 1351822300 /nfs/dbraw/zinc/82/23/00/1351822300.db2.gz NFZIUAUVQGTXTR-UHFFFAOYSA-N -1 0 330.256 2.494 20 5 EEBDRM CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001324849413 1333773060 /nfs/dbraw/zinc/77/30/60/1333773060.db2.gz UDPVTFCBOBGIJE-ZWNOBZJWSA-N -1 0 326.374 2.082 20 5 EEBDRM C[C@H]1CSCCN1c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001338837089 1336917254 /nfs/dbraw/zinc/91/72/54/1336917254.db2.gz BEWQTSIUJORIOX-VIFPVBQESA-N -1 0 335.389 2.038 20 5 EEBDRM C[C@@H]1CCC[C@@H](N(C)c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001609849593 1352100839 /nfs/dbraw/zinc/10/08/39/1352100839.db2.gz FGYRQXWLRQMIFA-DGCLKSJQSA-N -1 0 349.387 2.424 20 5 EEBDRM C[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C(=O)[O-])C1 ZINC001609861454 1352105100 /nfs/dbraw/zinc/10/51/00/1352105100.db2.gz SFKSXXHLLTUPKV-SDBXPKJASA-N -1 0 342.298 2.127 20 5 EEBDRM C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609879576 1352109948 /nfs/dbraw/zinc/10/99/48/1352109948.db2.gz YDLSEWSUTAHUNL-PRHODGIISA-N -1 0 348.277 2.445 20 5 EEBDRM CCC[C@](C)(NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001609953451 1352128825 /nfs/dbraw/zinc/12/88/25/1352128825.db2.gz YSCJHZHTSIBUHG-AWEZNQCLSA-N -1 0 328.296 2.116 20 5 EEBDRM CCn1cc(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cn1 ZINC001610082975 1352158508 /nfs/dbraw/zinc/15/85/08/1352158508.db2.gz UOHQTRPWJVYDPK-UHFFFAOYSA-N -1 0 333.304 2.462 20 5 EEBDRM CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ncc(C(=O)[O-])s1 ZINC001610095273 1352160496 /nfs/dbraw/zinc/16/04/96/1352160496.db2.gz YUTCEAVGHXGHLZ-UHFFFAOYSA-N -1 0 343.267 2.304 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001610347844 1352209121 /nfs/dbraw/zinc/20/91/21/1352209121.db2.gz LHMHBYXQOQRXPR-UHFFFAOYSA-N -1 0 348.355 2.255 20 5 EEBDRM Cc1c(NC(=O)C(=O)Nc2ccccc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610419446 1352219590 /nfs/dbraw/zinc/21/95/90/1352219590.db2.gz ONCYBLDQHQRKRF-UHFFFAOYSA-N -1 0 343.295 2.179 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC001610490047 1352232016 /nfs/dbraw/zinc/23/20/16/1352232016.db2.gz UCELGEOSCQSNJH-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C(=O)[O-])cc1 ZINC001610492985 1352232457 /nfs/dbraw/zinc/23/24/57/1352232457.db2.gz YKIRCACVRROIBA-CQSZACIVSA-N -1 0 343.339 2.084 20 5 EEBDRM Cc1nn(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)c(C)c1[N+](=O)[O-] ZINC001610570347 1352246607 /nfs/dbraw/zinc/24/66/07/1352246607.db2.gz WKDHAUWBFRXCRK-UHFFFAOYSA-N -1 0 342.311 2.471 20 5 EEBDRM O=C([O-])C1(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCSCC1 ZINC001610684058 1352260116 /nfs/dbraw/zinc/26/01/16/1352260116.db2.gz MKQCWOVANXXQMM-UHFFFAOYSA-N -1 0 344.776 2.328 20 5 EEBDRM O=C([O-])Cc1csc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)n1 ZINC001610797780 1352276526 /nfs/dbraw/zinc/27/65/26/1352276526.db2.gz MUHNLSHXJQYVCG-UHFFFAOYSA-N -1 0 346.324 2.412 20 5 EEBDRM O=C([O-])Cc1sccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001610799583 1352276905 /nfs/dbraw/zinc/27/69/05/1352276905.db2.gz SBTVHLFIEGFEQG-UHFFFAOYSA-N -1 0 349.320 2.323 20 5 EEBDRM Cc1cc(Cl)cc(C(=O)[O-])c1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001600217842 1349995174 /nfs/dbraw/zinc/99/51/74/1349995174.db2.gz WEECOYVRERMXPD-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1cc(N2CCN(c3nccs3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600241077 1349999993 /nfs/dbraw/zinc/99/99/93/1349999993.db2.gz MNESTCVDAGSTAW-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N[C@](C)(CCF)C(=O)[O-])cc1Cl ZINC001600302584 1350015146 /nfs/dbraw/zinc/01/51/46/1350015146.db2.gz OYYNAWKSGRUOMX-CYBMUJFWSA-N -1 0 332.715 2.489 20 5 EEBDRM Cc1nc([C@@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])C2)no1 ZINC001600696999 1350118131 /nfs/dbraw/zinc/11/81/31/1350118131.db2.gz MTBDSQLVBYNMQF-SNVBAGLBSA-N -1 0 332.316 2.287 20 5 EEBDRM Cc1ncccc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001600751461 1350128135 /nfs/dbraw/zinc/12/81/35/1350128135.db2.gz GTZGXTMIXMNTCI-INIZCTEOSA-N -1 0 329.312 2.028 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001600833375 1350147665 /nfs/dbraw/zinc/14/76/65/1350147665.db2.gz OBAHTVFLAAPMFA-UHFFFAOYSA-N -1 0 349.251 2.280 20 5 EEBDRM Cn1ncc(C2CC2)c1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001601026720 1350193286 /nfs/dbraw/zinc/19/32/86/1350193286.db2.gz PAKGJDDQMDRSBO-UHFFFAOYSA-N -1 0 345.311 2.261 20 5 EEBDRM NC(=O)c1cnc(Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])c(Cl)c1 ZINC001601170423 1350224137 /nfs/dbraw/zinc/22/41/37/1350224137.db2.gz WSFYJXXSLYFZBU-UHFFFAOYSA-N -1 0 337.675 2.233 20 5 EEBDRM Nc1ccc([N+](=O)[O-])c(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001601216509 1350233684 /nfs/dbraw/zinc/23/36/84/1350233684.db2.gz DLURTYHGKIZVSM-ZIAGYGMSSA-N -1 0 327.340 2.482 20 5 EEBDRM O=C([O-])C1(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1 ZINC001601429668 1350282413 /nfs/dbraw/zinc/28/24/13/1350282413.db2.gz JYRDMWQUCDCILE-UHFFFAOYSA-N -1 0 332.234 2.351 20 5 EEBDRM O=C([O-])C1(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCSCC1 ZINC001601431253 1350282857 /nfs/dbraw/zinc/28/28/57/1350282857.db2.gz WNRIXPAPSFAZDO-UHFFFAOYSA-N -1 0 344.776 2.328 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001601606591 1350318501 /nfs/dbraw/zinc/31/85/01/1350318501.db2.gz JPFZMPPTJVSVEP-HVSQXUEJSA-N -1 0 337.307 2.355 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001601802640 1350368165 /nfs/dbraw/zinc/36/81/65/1350368165.db2.gz ZXUHZOWIWNIHOH-NEPJUHHUSA-N -1 0 348.355 2.075 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001601802642 1350368279 /nfs/dbraw/zinc/36/82/79/1350368279.db2.gz ZXUHZOWIWNIHOH-RYUDHWBXSA-N -1 0 348.355 2.075 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](Nc3ncnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC001601863851 1350384867 /nfs/dbraw/zinc/38/48/67/1350384867.db2.gz KBAFJAXUBBEAEL-FTBFGRRBSA-N -1 0 328.328 2.449 20 5 EEBDRM O=C([O-])CC1(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCCCC1 ZINC001601938381 1350401795 /nfs/dbraw/zinc/40/17/95/1350401795.db2.gz OFSUQIVXNLAHAW-UHFFFAOYSA-N -1 0 348.402 2.112 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc([N+](=O)[O-])c1 ZINC001602247852 1350476068 /nfs/dbraw/zinc/47/60/68/1350476068.db2.gz JVGAQANZSQWBGA-GFCCVEGCSA-N -1 0 346.299 2.120 20 5 EEBDRM O=C([O-])c1cc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccn1 ZINC001602259214 1350480026 /nfs/dbraw/zinc/48/00/26/1350480026.db2.gz VYVBOVZJGPNMBS-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ncc3n2CCCC3)cc([N+](=O)[O-])c1 ZINC001602285966 1350486254 /nfs/dbraw/zinc/48/62/54/1350486254.db2.gz FXXUJLNQHWITHK-UHFFFAOYSA-N -1 0 330.300 2.078 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](O)c1cccnc1 ZINC001602299521 1350488273 /nfs/dbraw/zinc/48/82/73/1350488273.db2.gz YRYBIKUXFZZCSC-LBPRGKRZSA-N -1 0 337.719 2.487 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCC[C@H]1CCOC1 ZINC001602298892 1350488304 /nfs/dbraw/zinc/48/83/04/1350488304.db2.gz BJFFNUPBUSOTPN-VIFPVBQESA-N -1 0 339.304 2.430 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC001602341782 1350499344 /nfs/dbraw/zinc/49/93/44/1350499344.db2.gz GZGBMFXWSBQMFY-ZIAGYGMSSA-N -1 0 341.323 2.108 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)s1 ZINC001602403133 1350511619 /nfs/dbraw/zinc/51/16/19/1350511619.db2.gz WOUBVVJWQQDMTM-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC[C@H]2CCC[C@]3(CCOC3)O2)c1 ZINC001602407277 1350512394 /nfs/dbraw/zinc/51/23/94/1350512394.db2.gz CUDMRZLCQHGPGD-MLGOLLRUSA-N -1 0 337.328 2.400 20 5 EEBDRM O=C([O-])c1cccc2c1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001602456976 1350523306 /nfs/dbraw/zinc/52/33/06/1350523306.db2.gz BFQPJTAUQMDBBN-UHFFFAOYSA-N -1 0 326.308 2.425 20 5 EEBDRM O=C([O-])c1csc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)c1 ZINC001602564850 1350547974 /nfs/dbraw/zinc/54/79/74/1350547974.db2.gz NZUOBNZSBLIBSW-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC001603153801 1350651318 /nfs/dbraw/zinc/65/13/18/1350651318.db2.gz RHVZCJSBDQCJCG-XPTSAGLGSA-N -1 0 347.302 2.175 20 5 EEBDRM C[C@@H](Cc1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC001604228745 1350898259 /nfs/dbraw/zinc/89/82/59/1350898259.db2.gz MFAIDVCGTNVJQE-VIFPVBQESA-N -1 0 344.327 2.088 20 5 EEBDRM C[C@@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1nccc(N)n1 ZINC001604362359 1350923820 /nfs/dbraw/zinc/92/38/20/1350923820.db2.gz KXOQNHCSCIOLDE-AZVKUDOFSA-N -1 0 329.316 2.238 20 5 EEBDRM C[C@@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC[S@@]1=O ZINC001604758031 1350998264 /nfs/dbraw/zinc/99/82/64/1350998264.db2.gz RZGWKKZWSVEIOE-PJLCYMMNSA-N -1 0 346.792 2.294 20 5 EEBDRM CC[C@H](COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001605048944 1351066257 /nfs/dbraw/zinc/06/62/57/1351066257.db2.gz OKYCSNILWYXMHI-SNVBAGLBSA-N -1 0 333.300 2.048 20 5 EEBDRM CCc1nn(C)c(Oc2cc(C(=O)[O-])cc(C(=O)OC)c2)c1[N+](=O)[O-] ZINC001605866767 1351241424 /nfs/dbraw/zinc/24/14/24/1351241424.db2.gz PLUWVTPCAOJWSM-UHFFFAOYSA-N -1 0 349.299 2.168 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001605883000 1351245209 /nfs/dbraw/zinc/24/52/09/1351245209.db2.gz CTKQCDSXJYQJIQ-KRWDZBQOSA-N -1 0 348.355 2.446 20 5 EEBDRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2cccnc2[N+](=O)[O-])c1 ZINC001607311218 1351470591 /nfs/dbraw/zinc/47/05/91/1351470591.db2.gz YYGHFGUDJMUUIE-CQSZACIVSA-N -1 0 331.328 2.256 20 5 EEBDRM Cc1c(NC(=O)N2CC([C@H]3CCOC3)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607542923 1351513228 /nfs/dbraw/zinc/51/32/28/1351513228.db2.gz LDIJYMHOMPVOFC-JTQLQIEISA-N -1 0 349.343 2.102 20 5 EEBDRM Cc1c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cnn1CC(=O)[O-] ZINC001607549055 1351514094 /nfs/dbraw/zinc/51/40/94/1351514094.db2.gz JGKPALSDEHESQW-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1cc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(=O)[O-])ccc1F ZINC001607614614 1351525791 /nfs/dbraw/zinc/52/57/91/1351525791.db2.gz JTZSSOFNIWTGNG-CQSZACIVSA-N -1 0 347.302 2.180 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001607655342 1351534447 /nfs/dbraw/zinc/53/44/47/1351534447.db2.gz WFURVQOLYVHDOT-UHFFFAOYSA-N -1 0 326.736 2.493 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)n1 ZINC001607710398 1351544360 /nfs/dbraw/zinc/54/43/60/1351544360.db2.gz YCAZLIKGPRREJB-UHFFFAOYSA-N -1 0 341.323 2.195 20 5 EEBDRM Cc1ccc(C[C@@H](OC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC001607774022 1351556125 /nfs/dbraw/zinc/55/61/25/1351556125.db2.gz UWPVLERIYPYZDS-OAHLLOKOSA-N -1 0 344.323 2.338 20 5 EEBDRM Cc1ccn2cc(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])nc2c1 ZINC001607894034 1351580774 /nfs/dbraw/zinc/58/07/74/1351580774.db2.gz QOMAMFOVKAIVAN-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM Cc1nn(CCC(=O)[O-])c(C)c1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001608008904 1351604226 /nfs/dbraw/zinc/60/42/26/1351604226.db2.gz XVZDZTFFHSVLQH-UHFFFAOYSA-N -1 0 344.371 2.399 20 5 EEBDRM O=C(CN(C1CC1)C1(C(=O)[O-])CCC1)Nc1ccccc1[N+](=O)[O-] ZINC001608325106 1351671410 /nfs/dbraw/zinc/67/14/10/1351671410.db2.gz GMENTYVUWPSFHQ-UHFFFAOYSA-N -1 0 333.344 2.005 20 5 EEBDRM CC(C)c1ncc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000794616877 1369586946 /nfs/dbraw/zinc/58/69/46/1369586946.db2.gz PNKZBFJGZYOHRV-UHFFFAOYSA-N -1 0 328.375 2.371 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1sccc1Cl ZINC000796720352 1371460085 /nfs/dbraw/zinc/46/00/85/1371460085.db2.gz NUPAAIUCYQDJTD-UHFFFAOYSA-N -1 0 346.773 2.428 20 5 EEBDRM CCc1ccc(CS(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000835317384 1372611489 /nfs/dbraw/zinc/61/14/89/1372611489.db2.gz ROWVEJNXGNLQFZ-UHFFFAOYSA-N -1 0 342.417 2.031 20 5 EEBDRM O=C([N-]S(=O)(=O)[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000835590719 1372638069 /nfs/dbraw/zinc/63/80/69/1372638069.db2.gz NANOUAUGKLBWKP-ZDUSSCGKSA-N -1 0 349.368 2.060 20 5 EEBDRM CNc1c(C(=O)N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001606308627 1404787123 /nfs/dbraw/zinc/78/71/23/1404787123.db2.gz LBRUJUHTLOXCNN-GTNSWQLSSA-N -1 0 347.371 2.354 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000782261386 759834008 /nfs/dbraw/zinc/83/40/08/759834008.db2.gz JTTYAKNLMVQSHB-UHFFFAOYSA-N -1 0 340.288 2.263 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c(C)c1 ZINC000112160925 775440057 /nfs/dbraw/zinc/44/00/57/775440057.db2.gz YXUUROVEVVBPPO-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM CO[C@]1(C(=O)[O-])CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000910480135 786810172 /nfs/dbraw/zinc/81/01/72/786810172.db2.gz PIFOXTIKQIJIPM-GFCCVEGCSA-N -1 0 334.250 2.294 20 5 EEBDRM CN(CC(F)F)C1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000844212001 788929980 /nfs/dbraw/zinc/92/99/80/788929980.db2.gz NRBSTJUTSDSQOF-UHFFFAOYSA-N -1 0 343.330 2.459 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2COC3(CCCCC3)O2)n1 ZINC000844210523 788930083 /nfs/dbraw/zinc/93/00/83/788930083.db2.gz BMSVBBRCGYAJEZ-SNVBAGLBSA-N -1 0 337.332 2.176 20 5 EEBDRM Cc1cc(C)cc([C@H](O)CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000844212572 788931155 /nfs/dbraw/zinc/93/11/55/788931155.db2.gz JCTUNLNYMAOMLU-CQSZACIVSA-N -1 0 331.328 2.450 20 5 EEBDRM CC(C)(C)CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151441862 788965831 /nfs/dbraw/zinc/96/58/31/788965831.db2.gz DYRYCCAZLAZLCW-UHFFFAOYSA-N -1 0 328.390 2.020 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000917716554 798326042 /nfs/dbraw/zinc/32/60/42/798326042.db2.gz KRGZHNPCKSJAMM-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000793141449 810159505 /nfs/dbraw/zinc/15/95/05/810159505.db2.gz GXUPIYJFTUBTNA-SNVBAGLBSA-N -1 0 343.405 2.132 20 5 EEBDRM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000804485157 810882469 /nfs/dbraw/zinc/88/24/69/810882469.db2.gz PBWDSZPOUZDPMW-ZBEGNZNMSA-N -1 0 330.340 2.461 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC000806025594 811723543 /nfs/dbraw/zinc/72/35/43/811723543.db2.gz KJCWYYOMECLXSW-LBPRGKRZSA-N -1 0 340.401 2.162 20 5 EEBDRM O=C([O-])CC1(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)CCOCC1 ZINC001594971783 950863888 /nfs/dbraw/zinc/86/38/88/950863888.db2.gz VWTOJEAEHMLRQB-UHFFFAOYSA-N -1 0 348.355 2.146 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594802011 953746216 /nfs/dbraw/zinc/74/62/16/953746216.db2.gz XPMUAXWEHWWDOV-LJGSYFOKSA-N -1 0 345.258 2.181 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001593659151 953778461 /nfs/dbraw/zinc/77/84/61/953778461.db2.gz AELXKQADOXBBMY-UONOGXRCSA-N -1 0 344.371 2.424 20 5 EEBDRM O=C([O-])[C@@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)C1CC1 ZINC001594836908 954032584 /nfs/dbraw/zinc/03/25/84/954032584.db2.gz DQNQVMHCJPKPCI-GFCCVEGCSA-N -1 0 330.300 2.034 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001594841010 954080007 /nfs/dbraw/zinc/08/00/07/954080007.db2.gz SKQRNVHLDFARHQ-RRFJBIMHSA-N -1 0 332.356 2.315 20 5 EEBDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)[C@@H]3CC3[N+](=O)[O-])sc2[C@@H](C)O1 ZINC001589412494 954529048 /nfs/dbraw/zinc/52/90/48/954529048.db2.gz ZBYVMDDSCBYFFE-JXOAFFINSA-N -1 0 340.357 2.072 20 5 EEBDRM Cc1c(CNC(=O)Nc2ccnc(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001594262225 959703692 /nfs/dbraw/zinc/70/36/92/959703692.db2.gz XHCMYFQCUSPLQH-UHFFFAOYSA-N -1 0 330.300 2.318 20 5 EEBDRM Cc1cc(OCC(=O)Nc2ncccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001574343563 960954018 /nfs/dbraw/zinc/95/40/18/960954018.db2.gz XOFBIUWROGRXAX-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001574506944 961785732 /nfs/dbraw/zinc/78/57/32/961785732.db2.gz OKENLXRJXBZBSR-UHFFFAOYSA-N -1 0 339.323 2.224 20 5 EEBDRM O=C([O-])c1cnc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301636538 963065977 /nfs/dbraw/zinc/06/59/77/963065977.db2.gz DIKSPDNIHLAZEY-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM CC(C)[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000848451975 969260659 /nfs/dbraw/zinc/26/06/59/969260659.db2.gz IVOJRSPEPMYKPX-SECBINFHSA-N -1 0 346.742 2.403 20 5 EEBDRM O=C([O-])[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC=CCC1 ZINC001346333514 969763532 /nfs/dbraw/zinc/76/35/32/969763532.db2.gz UBTCXPVCCFWGJV-QGZVFWFLSA-N -1 0 330.340 2.291 20 5 EEBDRM CC(C)Oc1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC001609828379 970548329 /nfs/dbraw/zinc/54/83/29/970548329.db2.gz VRGVNVIZYNUDBH-JTQLQIEISA-N -1 0 336.344 2.460 20 5 EEBDRM CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c(C(=O)[O-])c1 ZINC001591788189 975969192 /nfs/dbraw/zinc/96/91/92/975969192.db2.gz RXRNULYOANXEDX-UHFFFAOYSA-N -1 0 334.288 2.056 20 5 EEBDRM CO[C@]1(C(=O)[O-])CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000703742588 977182845 /nfs/dbraw/zinc/18/28/45/977182845.db2.gz QGTWPFYUSQGSRD-GFCCVEGCSA-N -1 0 345.149 2.037 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccncc1 ZINC001592304674 977666076 /nfs/dbraw/zinc/66/60/76/977666076.db2.gz UBXAKDAYOWZDGQ-INIZCTEOSA-N -1 0 347.302 2.249 20 5 EEBDRM C[C@H](CC(=O)OC(C)(C)C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001592429367 978054265 /nfs/dbraw/zinc/05/42/65/978054265.db2.gz KAJGLSPJWXFNEQ-MRVPVSSYSA-N -1 0 325.321 2.220 20 5 EEBDRM CC[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001595176135 979763477 /nfs/dbraw/zinc/76/34/77/979763477.db2.gz NIAIVVZDDLTQSG-VIFPVBQESA-N -1 0 339.348 2.468 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCC23CCOCC3)cc([N+](=O)[O-])c1 ZINC000864216730 979905395 /nfs/dbraw/zinc/90/53/95/979905395.db2.gz PZZBUVUZCDOKGL-ZDUSSCGKSA-N -1 0 348.355 2.230 20 5 EEBDRM CC[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@H]1C ZINC001595464658 981151780 /nfs/dbraw/zinc/15/17/80/981151780.db2.gz SYWMBOIJVGAMBJ-UWVGGRQHSA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001594822126 981973825 /nfs/dbraw/zinc/97/38/25/981973825.db2.gz RQBFIAQEWIZLAH-OAHLLOKOSA-N -1 0 341.339 2.173 20 5 EEBDRM CCCc1[nH]nc(C(=O)OCc2cc(C(=O)[O-])oc2C)c1[N+](=O)[O-] ZINC001596029503 983295094 /nfs/dbraw/zinc/29/50/94/983295094.db2.gz NGIRNAXFRBLYNB-UHFFFAOYSA-N -1 0 337.288 2.227 20 5 EEBDRM CCN(CCC1CC1)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001596320956 983752827 /nfs/dbraw/zinc/75/28/27/983752827.db2.gz WKCLULUGNOWFSZ-LLVKDONJSA-N -1 0 349.387 2.424 20 5 EEBDRM CCNc1ccc(C(=O)Nc2cccnc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001596501448 984255673 /nfs/dbraw/zinc/25/56/73/984255673.db2.gz VBYBISODCAMIMT-UHFFFAOYSA-N -1 0 330.300 2.372 20 5 EEBDRM C[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC001589340215 986250185 /nfs/dbraw/zinc/25/01/85/986250185.db2.gz ZZDAWMYWLCYHJZ-LLVKDONJSA-N -1 0 343.339 2.450 20 5 EEBDRM C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC001594563053 986341496 /nfs/dbraw/zinc/34/14/96/986341496.db2.gz XTLIJVPUFNWBDC-CPCISQLKSA-N -1 0 334.250 2.449 20 5 EEBDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001589521221 987165304 /nfs/dbraw/zinc/16/53/04/987165304.db2.gz KBZMRGWIRPLDPP-MRVPVSSYSA-N -1 0 331.284 2.136 20 5 EEBDRM CC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597291711 987381513 /nfs/dbraw/zinc/38/15/13/987381513.db2.gz SSPIQPIEYNVOHJ-GFCCVEGCSA-N -1 0 344.389 2.076 20 5 EEBDRM CCc1ccc(C(=O)[O-])c(OC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC001597506384 988074991 /nfs/dbraw/zinc/07/49/91/988074991.db2.gz CMLKCCCUPGBGEF-UHFFFAOYSA-N -1 0 333.300 2.048 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001599822044 988531443 /nfs/dbraw/zinc/53/14/43/988531443.db2.gz CGDAQYPORCQSQX-KLBPJQLPSA-N -1 0 336.369 2.156 20 5 EEBDRM CC(C)(C)OC(=O)NCCOc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001590201473 989567416 /nfs/dbraw/zinc/56/74/16/989567416.db2.gz OVVJPOSQVSHMLT-UHFFFAOYSA-N -1 0 326.305 2.197 20 5 EEBDRM CC(C)C(=O)NCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001590940156 990980959 /nfs/dbraw/zinc/98/09/59/990980959.db2.gz RDLRBVOQODZZCE-UHFFFAOYSA-N -1 0 343.767 2.155 20 5 EEBDRM CC(C)C[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001591448331 992551737 /nfs/dbraw/zinc/55/17/37/992551737.db2.gz JRWQAQSCWWQBMZ-BXKDBHETSA-N -1 0 342.373 2.006 20 5 EEBDRM CC(C)C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001591450203 992556947 /nfs/dbraw/zinc/55/69/47/992556947.db2.gz IJGUPEXACOPGTG-ZANVPECISA-N -1 0 326.324 2.453 20 5 EEBDRM CN1CC[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1=O ZINC001598583836 993355056 /nfs/dbraw/zinc/35/50/56/993355056.db2.gz NFAZBKUSMWIDIJ-MRVPVSSYSA-N -1 0 341.751 2.227 20 5 EEBDRM CNc1ccc(C(=O)NCc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598678366 994884441 /nfs/dbraw/zinc/88/44/41/994884441.db2.gz LLVCHBODUQTSGY-UHFFFAOYSA-N -1 0 343.339 2.194 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC001593772976 996470002 /nfs/dbraw/zinc/47/00/02/996470002.db2.gz PELGZLBJMZUZIJ-INIZCTEOSA-N -1 0 331.328 2.403 20 5 EEBDRM COCc1nc(NC(=O)c2csc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001599303646 997276727 /nfs/dbraw/zinc/27/67/27/997276727.db2.gz LWKSNRYPYROLRM-UHFFFAOYSA-N -1 0 343.342 2.210 20 5 EEBDRM COC(=O)c1c[nH]c(SCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC001598917329 997497817 /nfs/dbraw/zinc/49/78/17/997497817.db2.gz NXNXHPPTPPIFHU-UHFFFAOYSA-N -1 0 337.313 2.095 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001594152838 998543986 /nfs/dbraw/zinc/54/39/86/998543986.db2.gz JQEGWEZDTDQPTQ-LDYMZIIASA-N -1 0 341.751 2.253 20 5 EEBDRM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC001594277723 999074438 /nfs/dbraw/zinc/07/44/38/999074438.db2.gz RQJHYNPOCRVPDA-HQJQHLMTSA-N -1 0 330.300 2.392 20 5 EEBDRM CC[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)C[C@H](C)O1 ZINC001526345048 1120504588 /nfs/dbraw/zinc/50/45/88/1120504588.db2.gz QNHHSFBHMOCQNT-JQWIXIFHSA-N -1 0 347.375 2.100 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC000346151533 299244032 /nfs/dbraw/zinc/24/40/32/299244032.db2.gz ODMNFWOVCVYBGP-VIFPVBQESA-N -1 0 344.327 2.282 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262843404 304075710 /nfs/dbraw/zinc/07/57/10/304075710.db2.gz CJWHTXMVNGCIPF-AWEZNQCLSA-N -1 0 335.360 2.253 20 5 EEBDRM O=C(CC1CCCCC1)NCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160196981 237235510 /nfs/dbraw/zinc/23/55/10/237235510.db2.gz NKZHKFBVQLCVGC-UHFFFAOYSA-N -1 0 349.387 2.117 20 5 EEBDRM CCOc1ncccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000055635945 201135569 /nfs/dbraw/zinc/13/55/69/201135569.db2.gz WBDYABNQYZQZGW-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1C ZINC000060436810 201144244 /nfs/dbraw/zinc/14/42/44/201144244.db2.gz SSNVEUFDFSFDSV-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1nn(CCC(=O)Nc2ccccc2CC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237873876 242832158 /nfs/dbraw/zinc/83/21/58/242832158.db2.gz WJSPOJCOOUQBSL-UHFFFAOYSA-N -1 0 346.343 2.064 20 5 EEBDRM CC(C)CN(CC(=O)[O-])C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262597330 245053622 /nfs/dbraw/zinc/05/36/22/245053622.db2.gz JBTNBBJLGLQDON-UHFFFAOYSA-N -1 0 347.327 2.031 20 5 EEBDRM C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC000262999399 245292434 /nfs/dbraw/zinc/29/24/34/245292434.db2.gz OTHQXTQUIXFEPE-IUODEOHRSA-N -1 0 349.387 2.356 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cn1 ZINC000491714218 246122497 /nfs/dbraw/zinc/12/24/97/246122497.db2.gz BJEOLHYXALZNCB-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CC(C)Cn1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000266563193 248361787 /nfs/dbraw/zinc/36/17/87/248361787.db2.gz JWVOWDLSPWGGJJ-UHFFFAOYSA-N -1 0 342.352 2.387 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](O)Cc1ccccc1 ZINC000185378130 255937251 /nfs/dbraw/zinc/93/72/51/255937251.db2.gz VBDUPFNYORJLMK-IAQYHMDHSA-N -1 0 330.340 2.022 20 5 EEBDRM O=C([O-])[C@H](CC(F)F)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263067357 152368444 /nfs/dbraw/zinc/36/84/44/152368444.db2.gz RCQVXPMIZNTPGJ-JTQLQIEISA-N -1 0 343.286 2.007 20 5 EEBDRM Cc1ncsc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000104745281 159290543 /nfs/dbraw/zinc/29/05/43/159290543.db2.gz YQHKDMUVQZNRPZ-UHFFFAOYSA-N -1 0 347.805 2.492 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccnc1N(C)C ZINC000105565677 159302281 /nfs/dbraw/zinc/30/22/81/159302281.db2.gz AMHZTKNQHQAGIJ-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185633989 160043865 /nfs/dbraw/zinc/04/38/65/160043865.db2.gz QPEUOELMJVKOAU-UHFFFAOYSA-N -1 0 347.356 2.284 20 5 EEBDRM O=C(Nc1ccc(Cn2ccnc2)cn1)c1cccc([O-])c1[N+](=O)[O-] ZINC000343332026 161125528 /nfs/dbraw/zinc/12/55/28/161125528.db2.gz KHICAUOIZKIVLX-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C(Cc1ccc2c(c1)OCCO2)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000343875307 161176566 /nfs/dbraw/zinc/17/65/66/161176566.db2.gz KJBAGDVJPSPROS-UHFFFAOYSA-N -1 0 330.296 2.253 20 5 EEBDRM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000346330173 161363574 /nfs/dbraw/zinc/36/35/74/161363574.db2.gz XLVWKWWZKPUYNH-UHFFFAOYSA-N -1 0 338.360 2.493 20 5 EEBDRM CC[C@@](C)(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262396110 287390686 /nfs/dbraw/zinc/39/06/86/287390686.db2.gz GRNCIDWMUMKEQX-MRXNPFEDSA-N -1 0 335.360 2.178 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC000275054261 269089918 /nfs/dbraw/zinc/08/99/18/269089918.db2.gz SVXSXQSDQXFWPF-LBPRGKRZSA-N -1 0 344.389 2.071 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2ccccc2[C@@H]1CO ZINC000185713055 274022208 /nfs/dbraw/zinc/02/22/08/274022208.db2.gz BCQVHYBCRIHXEA-HNNXBMFYSA-N -1 0 328.324 2.032 20 5 EEBDRM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000274527139 274203278 /nfs/dbraw/zinc/20/32/78/274203278.db2.gz CGMVLEGJRHXUQW-UHFFFAOYSA-N -1 0 345.764 2.277 20 5 EEBDRM COCCCO[N-]C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000287774310 274991356 /nfs/dbraw/zinc/99/13/56/274991356.db2.gz JZRJHAKREYZPGD-UHFFFAOYSA-N -1 0 334.781 2.425 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000288312217 275045074 /nfs/dbraw/zinc/04/50/74/275045074.db2.gz HUAMOLPVORGKHS-YFKPBYRVSA-N -1 0 332.687 2.477 20 5 EEBDRM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000288551007 275069308 /nfs/dbraw/zinc/06/93/08/275069308.db2.gz IUDRCGYGXZMVEC-SECBINFHSA-N -1 0 347.293 2.057 20 5 EEBDRM Cc1c(NC(=O)c2c[n-]c3c(cnn3C)c2=O)cccc1[N+](=O)[O-] ZINC000181710380 280249226 /nfs/dbraw/zinc/24/92/26/280249226.db2.gz MFJABVZYGQKVOT-UHFFFAOYSA-N -1 0 327.300 2.143 20 5 EEBDRM O=C([N-]c1nnc(C=Cc2ccco2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000255731008 292717965 /nfs/dbraw/zinc/71/79/65/292717965.db2.gz YKLJVHDONXRYJX-ARJAWSKDSA-N -1 0 332.301 2.185 20 5 EEBDRM CC(C)(C(N)=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436971816 315018031 /nfs/dbraw/zinc/01/80/31/315018031.db2.gz LBMAZFIMOFYGGS-UHFFFAOYSA-N -1 0 343.339 2.316 20 5 EEBDRM Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(C(F)(F)F)n1 ZINC000437003125 315022538 /nfs/dbraw/zinc/02/25/38/315022538.db2.gz ZBQFPJMSUSXJSD-UHFFFAOYSA-N -1 0 330.222 2.305 20 5 EEBDRM Cn1c(=O)[nH]c2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21 ZINC000443171098 315232280 /nfs/dbraw/zinc/23/22/80/315232280.db2.gz IJMODEVYMPGNPX-UHFFFAOYSA-N -1 0 328.284 2.145 20 5 EEBDRM COCCOc1cccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000514938851 316441934 /nfs/dbraw/zinc/44/19/34/316441934.db2.gz HTWIPWQIZVBUJE-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCOCC(F)(F)C(F)F)n1 ZINC000519599695 316797057 /nfs/dbraw/zinc/79/70/57/316797057.db2.gz ABRMBUASNZBRMF-UHFFFAOYSA-N -1 0 341.217 2.017 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@H](CCO)c2ccccc2)c1[N+](=O)[O-] ZINC000519817475 316830718 /nfs/dbraw/zinc/83/07/18/316830718.db2.gz ASQYNLUNYKCFBH-GFCCVEGCSA-N -1 0 331.328 2.266 20 5 EEBDRM CNc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000532793524 317884119 /nfs/dbraw/zinc/88/41/19/317884119.db2.gz DSHBLWVCEGVDBT-UHFFFAOYSA-N -1 0 329.312 2.368 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCCC1 ZINC000544554054 318190883 /nfs/dbraw/zinc/19/08/83/318190883.db2.gz DDDXOCBVBYMQKT-AWEZNQCLSA-N -1 0 336.344 2.152 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000563199909 318983075 /nfs/dbraw/zinc/98/30/75/318983075.db2.gz DCYMJQPASWMFDO-XLKFXECMSA-N -1 0 326.736 2.431 20 5 EEBDRM CN(CC1(O)CCCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565027212 319140548 /nfs/dbraw/zinc/14/05/48/319140548.db2.gz LKCYMPHMRRLMGO-UHFFFAOYSA-N -1 0 328.752 2.331 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C(C)(C)C)[C@H](O)C2)n1 ZINC000566293393 319270617 /nfs/dbraw/zinc/27/06/17/319270617.db2.gz PZPQXZCLPSSAJI-NWDGAFQWSA-N -1 0 337.376 2.230 20 5 EEBDRM C/C=C\C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000567063819 319345338 /nfs/dbraw/zinc/34/53/38/319345338.db2.gz QHINWSXZHJJWCJ-ZZKXABKFSA-N -1 0 326.736 2.326 20 5 EEBDRM O=C(NC[C@H]1CCC[C@@H](O)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568513661 319495631 /nfs/dbraw/zinc/49/56/31/319495631.db2.gz JTTZSHSNOJOLHF-WCBMZHEXSA-N -1 0 328.752 2.235 20 5 EEBDRM C[C@@]1(CO)CCC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000569974264 319625305 /nfs/dbraw/zinc/62/53/05/319625305.db2.gz FCENIHSIYLNXNI-FZMZJTMJSA-N -1 0 328.752 2.235 20 5 EEBDRM CC(C)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000576639769 320191028 /nfs/dbraw/zinc/19/10/28/320191028.db2.gz ACPZLZWDOQNIDK-LBPRGKRZSA-N -1 0 342.373 2.102 20 5 EEBDRM C[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000577283476 320247085 /nfs/dbraw/zinc/24/70/85/320247085.db2.gz YWCLPEAMAUHQLR-MFKMUULPSA-N -1 0 331.328 2.092 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000580332249 324043392 /nfs/dbraw/zinc/04/33/92/324043392.db2.gz LPHQKXZMAQMJIR-VIFPVBQESA-N -1 0 333.266 2.342 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000582219166 324404431 /nfs/dbraw/zinc/40/44/31/324404431.db2.gz NPSIGWHBVNDKPN-LLVKDONJSA-N -1 0 335.360 2.175 20 5 EEBDRM CCCC[C@@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000583384833 324653453 /nfs/dbraw/zinc/65/34/53/324653453.db2.gz JFFVCBKXZBNFOL-SNVBAGLBSA-N -1 0 344.389 2.492 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000083955350 463569007 /nfs/dbraw/zinc/56/90/07/463569007.db2.gz AGFZWJDLGJKUDN-UHFFFAOYSA-N -1 0 328.375 2.118 20 5 EEBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000007054249 462719810 /nfs/dbraw/zinc/71/98/10/462719810.db2.gz IPTBGLQBEXWMTJ-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM Cc1ccc2c(c1)CCN2S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000091020107 462821318 /nfs/dbraw/zinc/82/13/18/462821318.db2.gz MIVREKZRNAOMQT-UHFFFAOYSA-N -1 0 334.353 2.360 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)n1 ZINC000066247753 462866988 /nfs/dbraw/zinc/86/69/88/462866988.db2.gz GWKDVUYPFSNZTE-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000013392770 462892091 /nfs/dbraw/zinc/89/20/91/462892091.db2.gz JLRJIZLMULMWDH-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM Cc1nc(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cs1 ZINC000119729130 462925681 /nfs/dbraw/zinc/92/56/81/462925681.db2.gz MZLGHXUOEYCICR-UHFFFAOYSA-N -1 0 341.414 2.455 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1C ZINC000015245837 462944134 /nfs/dbraw/zinc/94/41/34/462944134.db2.gz NWVMUVAPCSOCQN-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000024661930 463093337 /nfs/dbraw/zinc/09/33/37/463093337.db2.gz OIRQRXLRKCJSOI-GFCCVEGCSA-N -1 0 344.323 2.212 20 5 EEBDRM O=C([O-])C1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000095969447 463118757 /nfs/dbraw/zinc/11/87/57/463118757.db2.gz TVWSZHUVOAWGEO-UHFFFAOYSA-N -1 0 347.371 2.132 20 5 EEBDRM CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032090597 463365317 /nfs/dbraw/zinc/36/53/17/463365317.db2.gz GRDLTIWPBDSECI-UHFFFAOYSA-N -1 0 349.368 2.097 20 5 EEBDRM O=C(Nc1cnn(Cc2ccncc2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000178221228 463862785 /nfs/dbraw/zinc/86/27/85/463862785.db2.gz OMXDCHHFDHVDCK-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nnc(C(C)(C)C)o1 ZINC000194791803 463928537 /nfs/dbraw/zinc/92/85/37/463928537.db2.gz QAHZLTJJAYDCMB-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM COC(=O)c1cc(C)nc(NC2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000263445398 464106325 /nfs/dbraw/zinc/10/63/25/464106325.db2.gz YJBCKLXRDGPGNM-UHFFFAOYSA-N -1 0 337.332 2.140 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000181092494 464444649 /nfs/dbraw/zinc/44/46/49/464444649.db2.gz HJAONLPNYYTEFX-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000294304353 464461178 /nfs/dbraw/zinc/46/11/78/464461178.db2.gz SKZYQKFMFBIOKS-OAHLLOKOSA-N -1 0 332.356 2.332 20 5 EEBDRM COC(=O)NCCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272265731 464543292 /nfs/dbraw/zinc/54/32/92/464543292.db2.gz RFCPIAZWMLDWDO-UHFFFAOYSA-N -1 0 331.712 2.029 20 5 EEBDRM O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272394098 464590638 /nfs/dbraw/zinc/59/06/38/464590638.db2.gz VMRNVAYRMPYHCI-CYBMUJFWSA-N -1 0 329.312 2.208 20 5 EEBDRM Cn1ccnc1[C@@H]1N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1(C)C ZINC000295860058 464988067 /nfs/dbraw/zinc/98/80/67/464988067.db2.gz KQQZGGKODDQYNH-ZDUSSCGKSA-N -1 0 330.344 2.257 20 5 EEBDRM O=C([O-])[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCO1 ZINC000591325401 468447837 /nfs/dbraw/zinc/44/78/37/468447837.db2.gz NNRAUQMHGJPICW-ZDUSSCGKSA-N -1 0 347.302 2.086 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCOc2cccc(F)c2C1 ZINC000367301493 466250714 /nfs/dbraw/zinc/25/07/14/466250714.db2.gz ZXAKXJXOPGJOSP-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)ccc1[N+](=O)[O-] ZINC000362015510 466484157 /nfs/dbraw/zinc/48/41/57/466484157.db2.gz OIFALCNPKJLVEU-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000324749459 466649104 /nfs/dbraw/zinc/64/91/04/466649104.db2.gz PVNYGOOOTDWHCS-HNNXBMFYSA-N -1 0 326.308 2.419 20 5 EEBDRM Nc1c(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000375067722 466794901 /nfs/dbraw/zinc/79/49/01/466794901.db2.gz YUVIYZBSSNAKPK-CYBMUJFWSA-N -1 0 341.323 2.001 20 5 EEBDRM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000370737306 466984507 /nfs/dbraw/zinc/98/45/07/466984507.db2.gz GONJQROWLAPHRP-ZDUSSCGKSA-N -1 0 330.344 2.320 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000374176011 467024446 /nfs/dbraw/zinc/02/44/46/467024446.db2.gz PJLLKWOHEWZRFD-OAHLLOKOSA-N -1 0 326.308 2.419 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000431666000 467531923 /nfs/dbraw/zinc/53/19/23/467531923.db2.gz RIFDWTRBHZYJPA-VIFPVBQESA-N -1 0 342.326 2.413 20 5 EEBDRM C[C@@H](CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000492520718 467661912 /nfs/dbraw/zinc/66/19/12/467661912.db2.gz NWALGLSZNXCXSC-NXSJDDFASA-N -1 0 336.319 2.459 20 5 EEBDRM CCOc1ccc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000567970879 468247063 /nfs/dbraw/zinc/24/70/63/468247063.db2.gz VIJFHYFWBAKEHE-QLJPJBMISA-N -1 0 336.344 2.176 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@@H](CO)Cc2ccccc21 ZINC000590403725 468247190 /nfs/dbraw/zinc/24/71/90/468247190.db2.gz BQIKLQRGIAMMEU-NSHDSACASA-N -1 0 328.324 2.112 20 5 EEBDRM CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000569579492 468513472 /nfs/dbraw/zinc/51/34/72/468513472.db2.gz NOIWKSYRMIXUQI-UFBFGSQYSA-N -1 0 328.752 2.187 20 5 EEBDRM C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594462750 468596543 /nfs/dbraw/zinc/59/65/43/468596543.db2.gz PSPXRGBAKOPAMU-DDTOSNHZSA-N -1 0 334.372 2.389 20 5 EEBDRM CCC[C@@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(=O)[O-] ZINC000570208056 468604242 /nfs/dbraw/zinc/60/42/42/468604242.db2.gz XYJSDPRBJUWVDD-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])[C@H]1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000600869565 468671117 /nfs/dbraw/zinc/67/11/17/468671117.db2.gz NUDYEOGKQWOIBY-WCQYABFASA-N -1 0 332.356 2.386 20 5 EEBDRM CCc1noc(C)c1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000600871149 468672011 /nfs/dbraw/zinc/67/20/11/468672011.db2.gz DTXKZUMKEQWYAB-UHFFFAOYSA-N -1 0 333.300 2.082 20 5 EEBDRM CCCCO[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874716 468672901 /nfs/dbraw/zinc/67/29/01/468672901.db2.gz KIUYEFDMYPGYEP-MEDUHNTESA-N -1 0 338.360 2.216 20 5 EEBDRM C[C@@](NC(=O)C1CCSCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873133 468673158 /nfs/dbraw/zinc/67/31/58/468673158.db2.gz GYCQJWJIOUCFIZ-HNNXBMFYSA-N -1 0 338.385 2.154 20 5 EEBDRM O=C([O-])c1cc(N2CC[C@@H](Oc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000583502119 468707153 /nfs/dbraw/zinc/70/71/53/468707153.db2.gz BFNLMEOHLJNSCI-CYBMUJFWSA-N -1 0 329.312 2.346 20 5 EEBDRM CCC[C@](C)(NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000570925908 468715465 /nfs/dbraw/zinc/71/54/65/468715465.db2.gz OQFLKBFKTNJWFJ-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595278265 468798708 /nfs/dbraw/zinc/79/87/08/468798708.db2.gz XCSVXGJQVDNBFK-UHFFFAOYSA-N -1 0 334.332 2.044 20 5 EEBDRM Cc1csc([C@H](C)CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])n1 ZINC000592976453 468831611 /nfs/dbraw/zinc/83/16/11/468831611.db2.gz JOCPJWHYCLJFBM-SSDOTTSWSA-N -1 0 336.373 2.977 20 5 EEBDRM COc1cccc2c1CN(c1nc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC000592972916 468832173 /nfs/dbraw/zinc/83/21/73/468832173.db2.gz FILGTUCTNFLEKN-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@H](c3cccnc3)C2)n1 ZINC000592977579 468832616 /nfs/dbraw/zinc/83/26/16/468832616.db2.gz WCBGBENHGOJJQC-RISCZKNCSA-N -1 0 344.327 2.415 20 5 EEBDRM O=C([O-])c1cc(N[C@@H]2CCN(c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000592976879 468833089 /nfs/dbraw/zinc/83/30/89/468833089.db2.gz DMMSVKBKUNDRMG-GFCCVEGCSA-N -1 0 328.328 2.379 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]1(C)CO ZINC000598444542 468868091 /nfs/dbraw/zinc/86/80/91/468868091.db2.gz BCHPWFAILNMYAN-XLKFXECMSA-N -1 0 328.752 2.044 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@@H](c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000572163866 468896307 /nfs/dbraw/zinc/89/63/07/468896307.db2.gz DOSKNMZNISUAAI-CYBMUJFWSA-N -1 0 347.302 2.405 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)COCC(F)(F)F)n1 ZINC000572884500 469014255 /nfs/dbraw/zinc/01/42/55/469014255.db2.gz IGPAAPUZUSXZHP-ZETCQYMHSA-N -1 0 337.254 2.376 20 5 EEBDRM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(CCC(=O)[O-])CC1 ZINC000595881195 469061472 /nfs/dbraw/zinc/06/14/72/469061472.db2.gz AONPJDZARJRKAW-LBPRGKRZSA-N -1 0 349.387 2.499 20 5 EEBDRM C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CCC(=O)[O-])CC1 ZINC000595881657 469061526 /nfs/dbraw/zinc/06/15/26/469061526.db2.gz DUDCMXCCNVHMKT-LBPRGKRZSA-N -1 0 349.387 2.499 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000595883289 469062169 /nfs/dbraw/zinc/06/21/69/469062169.db2.gz XCRFZUSFNNGWKW-UHFFFAOYSA-N -1 0 349.387 2.419 20 5 EEBDRM O=C([O-])CC[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000595972915 469103288 /nfs/dbraw/zinc/10/32/88/469103288.db2.gz BIAZSFGECNKZMR-SNVBAGLBSA-N -1 0 346.343 2.325 20 5 EEBDRM CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000595999492 469111115 /nfs/dbraw/zinc/11/11/15/469111115.db2.gz BSHJHKAXFNXIKF-BDAKNGLRSA-N -1 0 344.751 2.337 20 5 EEBDRM COC[C@H](C)Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596012283 469118433 /nfs/dbraw/zinc/11/84/33/469118433.db2.gz UJUBAQWGPHJTDH-NVDWLVSRSA-N -1 0 347.327 2.380 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC1CCCC1 ZINC000563075395 469163116 /nfs/dbraw/zinc/16/31/16/469163116.db2.gz FQGMHJFAVVSVKF-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](C)Oc2ccccc2F)n1 ZINC000563208083 469198212 /nfs/dbraw/zinc/19/82/12/469198212.db2.gz PAFOPVFDVMSIDU-JTQLQIEISA-N -1 0 349.318 3.015 20 5 EEBDRM CCOC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000611289749 469220886 /nfs/dbraw/zinc/22/08/86/469220886.db2.gz AXXGCRBCLSYPRI-UHFFFAOYSA-N -1 0 334.284 2.000 20 5 EEBDRM O=C([O-])[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000611463903 469255221 /nfs/dbraw/zinc/25/52/21/469255221.db2.gz DJYWUTOMEGJEOU-OAHLLOKOSA-N -1 0 348.286 2.055 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)CCc2cccn2C)n1 ZINC000565035452 469265314 /nfs/dbraw/zinc/26/53/14/469265314.db2.gz KXKLEHRMMIOESK-SNVBAGLBSA-N -1 0 332.360 2.768 20 5 EEBDRM O=C([O-])C[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000611526518 469272459 /nfs/dbraw/zinc/27/24/59/469272459.db2.gz ZEUIEZJAAPXRDG-GFCCVEGCSA-N -1 0 345.355 2.474 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000611558008 469278241 /nfs/dbraw/zinc/27/82/41/469278241.db2.gz QMGMFDRFETXTRG-WRWORJQWSA-N -1 0 334.250 2.092 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccnn1C ZINC000616021663 469354934 /nfs/dbraw/zinc/35/49/34/469354934.db2.gz ADNAJZFLBPYELX-AWEZNQCLSA-N -1 0 332.360 2.204 20 5 EEBDRM CC(C)(C)C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000603672775 469422698 /nfs/dbraw/zinc/42/26/98/469422698.db2.gz YVLCCXZQAGIOCS-UHFFFAOYSA-N -1 0 349.387 2.067 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]2c2ccccc2)ccc1[O-] ZINC000604032068 469453073 /nfs/dbraw/zinc/45/30/73/469453073.db2.gz HYDUILKIBFDTFN-ZDUSSCGKSA-N -1 0 334.353 2.436 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC(c2nc3ccccc3[nH]2)C1 ZINC000613983205 469826351 /nfs/dbraw/zinc/82/63/51/469826351.db2.gz CILAZGXAWCFNDA-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000618251865 469940055 /nfs/dbraw/zinc/94/00/55/469940055.db2.gz WSCSNCYQBJMAOL-GFCCVEGCSA-N -1 0 328.324 2.293 20 5 EEBDRM CCc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])on1 ZINC000610161612 469985257 /nfs/dbraw/zinc/98/52/57/469985257.db2.gz FCVHFFXIILCLQE-UHFFFAOYSA-N -1 0 345.764 2.277 20 5 EEBDRM Cc1cccc2nc(CNc3nccc(C(=O)[O-])c3[N+](=O)[O-])cn21 ZINC000738320523 578009305 /nfs/dbraw/zinc/00/93/05/578009305.db2.gz PHNYQPWVCXIJIG-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM O=c1c(-c2nnn[n-]2)cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000738372495 578011489 /nfs/dbraw/zinc/01/14/89/578011489.db2.gz QYHJVAFBRSZQGE-UHFFFAOYSA-N -1 0 348.322 2.138 20 5 EEBDRM COc1ccc(CCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1F ZINC000738091571 576465765 /nfs/dbraw/zinc/46/57/65/576465765.db2.gz VRKQBMGAKVYQAC-UHFFFAOYSA-N -1 0 335.291 2.490 20 5 EEBDRM O=C([O-])Nc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000738660240 577065487 /nfs/dbraw/zinc/06/54/87/577065487.db2.gz GXGVHFVIKQEELB-UHFFFAOYSA-N -1 0 345.311 2.494 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)CCC(C)C)c1 ZINC000732512848 577183061 /nfs/dbraw/zinc/18/30/61/577183061.db2.gz MOFZKHBFNGFZEO-UHFFFAOYSA-N -1 0 346.430 2.422 20 5 EEBDRM COc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])[n-]3)no2)cc1 ZINC000733698385 577253992 /nfs/dbraw/zinc/25/39/92/577253992.db2.gz RZSHPYGNSDMQSB-UHFFFAOYSA-N -1 0 344.283 2.339 20 5 EEBDRM CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000772352212 577266458 /nfs/dbraw/zinc/26/64/58/577266458.db2.gz XSECIZAOJWAATG-AWEZNQCLSA-N -1 0 332.360 2.342 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cs1 ZINC000768862006 577564458 /nfs/dbraw/zinc/56/44/58/577564458.db2.gz RTINRYLLOUUPMC-UHFFFAOYSA-N -1 0 345.314 2.071 20 5 EEBDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768866001 577564541 /nfs/dbraw/zinc/56/45/41/577564541.db2.gz FZSBREPNELEYAJ-UHFFFAOYSA-N -1 0 338.317 2.426 20 5 EEBDRM O=C(NC[C@@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000768925276 577565815 /nfs/dbraw/zinc/56/58/15/577565815.db2.gz LNPVEJWYPXGUDU-LLVKDONJSA-N -1 0 328.324 2.282 20 5 EEBDRM O=C(NC[C@@H](O)c1c(F)cccc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769503957 577579310 /nfs/dbraw/zinc/57/93/10/577579310.db2.gz PXHUBELDSSOILD-CYBMUJFWSA-N -1 0 338.266 2.042 20 5 EEBDRM CN(CC(F)F)C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000769510774 577579480 /nfs/dbraw/zinc/57/94/80/577579480.db2.gz OTHLYBAECQRFGJ-UHFFFAOYSA-N -1 0 329.347 2.462 20 5 EEBDRM CCCC1(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000761056722 577675209 /nfs/dbraw/zinc/67/52/09/577675209.db2.gz MFJIKMWWWKCFAP-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM O=C([O-])c1cccc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000738689603 578023832 /nfs/dbraw/zinc/02/38/32/578023832.db2.gz ZWRTYYPAQGLANH-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CN2CCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000739294257 578047377 /nfs/dbraw/zinc/04/73/77/578047377.db2.gz FCOWDDOCQPKKLJ-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000739813080 578068772 /nfs/dbraw/zinc/06/87/72/578068772.db2.gz MVCAFUYTDPSLRP-UHFFFAOYSA-N -1 0 347.302 2.160 20 5 EEBDRM CC(C)C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736428497 578203393 /nfs/dbraw/zinc/20/33/93/578203393.db2.gz XQKIRBUEJVYLGA-CQSZACIVSA-N -1 0 347.327 2.437 20 5 EEBDRM CC(C)N1C[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000736474867 578206634 /nfs/dbraw/zinc/20/66/34/578206634.db2.gz PBFCNRUFNVSHIQ-TXNVCOODSA-N -1 0 333.344 2.114 20 5 EEBDRM CC(C)Oc1ccc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)cc1 ZINC000736494555 578207806 /nfs/dbraw/zinc/20/78/06/578207806.db2.gz NAYWRGSEKMRILN-UHFFFAOYSA-N -1 0 332.312 2.290 20 5 EEBDRM COc1ccc(C(=O)[O-])c(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000737943745 578273917 /nfs/dbraw/zinc/27/39/17/578273917.db2.gz XNJKWUJGIQLQHN-UHFFFAOYSA-N -1 0 345.311 2.013 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000828634530 601134437 /nfs/dbraw/zinc/13/44/37/601134437.db2.gz RATLJYVANCFHIK-CQSZACIVSA-N -1 0 339.304 2.185 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1F ZINC000833124526 601746894 /nfs/dbraw/zinc/74/68/94/601746894.db2.gz HVOUUBYNDHHXSX-CYBMUJFWSA-N -1 0 336.250 2.429 20 5 EEBDRM O=C([O-])c1ccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000833314533 601941897 /nfs/dbraw/zinc/94/18/97/601941897.db2.gz UESRBRRIZUCDMX-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM CN(CC(=O)NC(C)(C)C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830669992 602250483 /nfs/dbraw/zinc/25/04/83/602250483.db2.gz UPCVZXHXEPBRDW-UHFFFAOYSA-N -1 0 343.767 2.297 20 5 EEBDRM COC(=O)c1cc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc(C)c1[N+](=O)[O-] ZINC000831252165 602318072 /nfs/dbraw/zinc/31/80/72/602318072.db2.gz QFLFNNQJNKEHQJ-CYBMUJFWSA-N -1 0 348.355 2.381 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000833295864 604278897 /nfs/dbraw/zinc/27/88/97/604278897.db2.gz HXADSMMTVLKLIU-CXAGYDPISA-N -1 0 348.355 2.060 20 5 EEBDRM Cc1cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(N)c([N+](=O)[O-])c1 ZINC000833743037 604997389 /nfs/dbraw/zinc/99/73/89/604997389.db2.gz IDPWBGULUXSHBX-LLVKDONJSA-N -1 0 349.387 2.448 20 5 EEBDRM CC(=O)N1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000833393073 605062264 /nfs/dbraw/zinc/06/22/64/605062264.db2.gz GUBFBKIUDXCRHM-LNTXQQRLSA-N -1 0 347.371 2.361 20 5 EEBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000047417535 681989042 /nfs/dbraw/zinc/98/90/42/681989042.db2.gz BJGLBEGUDWTBLX-UHFFFAOYSA-N -1 0 341.276 2.443 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(N(C)C[C@H](C)C(=O)[O-])cc1Cl ZINC000841510885 1187083678 /nfs/dbraw/zinc/08/36/78/1187083678.db2.gz NYHYODRQFHNAPV-ZETCQYMHSA-N -1 0 330.724 2.192 20 5 EEBDRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000173874356 1196495823 /nfs/dbraw/zinc/49/58/23/1196495823.db2.gz NLJFZBPWABYIFR-QMMMGPOBSA-N -1 0 334.781 2.489 20 5 EEBDRM Cc1[n-]n(-c2cc([N+](=O)[O-])ccc2Br)c(=O)c1CCO ZINC000871958728 1197991734 /nfs/dbraw/zinc/99/17/34/1197991734.db2.gz FTTPOALBKXFRED-SECBINFHSA-N -1 0 342.149 2.078 20 5 EEBDRM CCC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000813069875 1201079367 /nfs/dbraw/zinc/07/93/67/1201079367.db2.gz MTSRZWPKGJLGQK-ZYHUDNBSSA-N -1 0 326.374 2.144 20 5 EEBDRM CCOc1ncccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194723941 1211260239 /nfs/dbraw/zinc/26/02/39/1211260239.db2.gz KFLTUIOPJRTSES-UHFFFAOYSA-N -1 0 341.320 2.328 20 5 EEBDRM COc1cc(F)c(-c2noc(-c3nc[n-]c3[N+](=O)[O-])n2)cc1OC ZINC001212893024 1214377370 /nfs/dbraw/zinc/37/73/70/1214377370.db2.gz IXYQHIZOLNJSPQ-UHFFFAOYSA-N -1 0 335.251 2.191 20 5 EEBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2ccc(C(F)(F)F)nc2)no1 ZINC001212892920 1214379134 /nfs/dbraw/zinc/37/91/34/1214379134.db2.gz CIGBNMGFXXPOQC-UHFFFAOYSA-N -1 0 326.194 2.449 20 5 EEBDRM O=C(NC[C@H](O)c1c(F)cccc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119223272 1229471053 /nfs/dbraw/zinc/47/10/53/1229471053.db2.gz LMTQVYZKYCNHDK-ZDUSSCGKSA-N -1 0 338.266 2.042 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC001226021876 1301235681 /nfs/dbraw/zinc/23/56/81/1301235681.db2.gz WEVPRDSTLFIDAX-DTWKUNHWSA-N -1 0 325.321 2.225 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CC[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001226651815 1301495138 /nfs/dbraw/zinc/49/51/38/1301495138.db2.gz IYOSLBXHZAZCCW-XHNCKOQMSA-N -1 0 325.321 2.081 20 5 EEBDRM Cc1nnc(=S)[n-]c1O[C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227597873 1301902192 /nfs/dbraw/zinc/90/21/92/1301902192.db2.gz DWDYVIWHNBUTGK-SSDOTTSWSA-N -1 0 336.329 2.246 20 5 EEBDRM COC(=O)[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])c1ccccc1F ZINC001228971814 1302554232 /nfs/dbraw/zinc/55/42/32/1302554232.db2.gz RYAUNZBNSILYPF-AWEZNQCLSA-N -1 0 337.259 2.438 20 5 EEBDRM CCCSc1nc(OC[C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229796500 1302947762 /nfs/dbraw/zinc/94/77/62/1302947762.db2.gz LPIDGFUUEWVFJK-BDAKNGLRSA-N -1 0 329.378 2.396 20 5 EEBDRM CCC[C@H](CC(=O)OCC)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231071149 1303609800 /nfs/dbraw/zinc/60/98/00/1303609800.db2.gz FGZLFVRCMQXAEM-SSDOTTSWSA-N -1 0 333.728 2.245 20 5 EEBDRM O=c1nc(OC[C@@H]2CC[C@]3(CCCCO3)O2)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231072137 1303611721 /nfs/dbraw/zinc/61/17/21/1303611721.db2.gz TZHQSNFLZMDXGN-SDBXPKJASA-N -1 0 345.739 2.198 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000780740338 1303694807 /nfs/dbraw/zinc/69/48/07/1303694807.db2.gz XOXXHRYVZQLXCL-PSLIRLAXSA-N -1 0 334.303 2.291 20 5 EEBDRM O=C(N[C@H](CCO)Cc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000799801922 1305437951 /nfs/dbraw/zinc/43/79/51/1305437951.db2.gz LIQDZQJGQDPRBO-CQSZACIVSA-N -1 0 330.340 2.024 20 5 EEBDRM C[C@@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000835232090 1314906049 /nfs/dbraw/zinc/90/60/49/1314906049.db2.gz RKXGTAGTSQLARN-OTYXRUKQSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1nn(C)c(C)c1[C@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837483673 1315086590 /nfs/dbraw/zinc/08/65/90/1315086590.db2.gz VYFASWTVXOQXNY-VIFPVBQESA-N -1 0 333.344 2.498 20 5 EEBDRM CCOC(=O)c1oc2nccnc2c1[N-]c1ccc([N+](=O)[O-])nc1 ZINC001203566800 1321913613 /nfs/dbraw/zinc/91/36/13/1321913613.db2.gz QKAAPCGGNMEMDS-UHFFFAOYSA-N -1 0 329.272 2.446 20 5 EEBDRM C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001261439869 1322103772 /nfs/dbraw/zinc/10/37/72/1322103772.db2.gz YDHWJVGLZMLHIF-ZWNOBZJWSA-N -1 0 326.374 2.226 20 5 EEBDRM CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CC[C@@H](CF)C1 ZINC001263056496 1322427754 /nfs/dbraw/zinc/42/77/54/1322427754.db2.gz DKIZXHHFEOHYHL-JTQLQIEISA-N -1 0 335.339 2.375 20 5 EEBDRM Cc1c(Nc2ccc3ncccc3c2[N+](=O)[O-])cnn1CC(=O)[O-] ZINC001600056334 1349963166 /nfs/dbraw/zinc/96/31/66/1349963166.db2.gz BRWAXPWQDTZRTM-UHFFFAOYSA-N -1 0 327.300 2.476 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H](CC(=O)[O-])C1CC1 ZINC001601006024 1350187883 /nfs/dbraw/zinc/18/78/83/1350187883.db2.gz DNCKHGXHDDNAHI-SSDOTTSWSA-N -1 0 336.270 2.260 20 5 EEBDRM Nc1c(OCC2(C(=O)[O-])CC2)cc(Br)cc1[N+](=O)[O-] ZINC001601209237 1350231891 /nfs/dbraw/zinc/23/18/91/1350231891.db2.gz NULGDRQDWQWNHW-UHFFFAOYSA-N -1 0 331.122 2.183 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)C[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC001601257493 1350243385 /nfs/dbraw/zinc/24/33/85/1350243385.db2.gz WOUZYKPZHUXWOU-SECBINFHSA-N -1 0 343.382 2.437 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C(C)(C)CC(=O)[O-])cc1C ZINC001607708593 1351544021 /nfs/dbraw/zinc/54/40/21/1351544021.db2.gz FYRQDXWNDXVOHA-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001607708610 1351544066 /nfs/dbraw/zinc/54/40/66/1351544066.db2.gz GSYPGJGLKROPAJ-UHFFFAOYSA-N -1 0 333.304 2.137 20 5 EEBDRM Cc1oc(S(=O)(=O)Oc2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001607816573 1351564586 /nfs/dbraw/zinc/56/45/86/1351564586.db2.gz ZJEYEDPHXFIZQO-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM O=C([O-])C1=NO[C@@]2(CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC001608593516 1351722251 /nfs/dbraw/zinc/72/22/51/1351722251.db2.gz QGZGFNLOQIPGIY-ZDUSSCGKSA-N -1 0 343.698 2.197 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])nc1Br ZINC001608624261 1351728727 /nfs/dbraw/zinc/72/87/27/1351728727.db2.gz FEKSPUXYQPVBLX-SFYZADRCSA-N -1 0 332.154 2.445 20 5 EEBDRM O=C([O-])[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])Cc2ccccc21 ZINC001608645766 1351732823 /nfs/dbraw/zinc/73/28/23/1351732823.db2.gz CAYHJBBWNMQEMG-ZDUSSCGKSA-N -1 0 338.323 2.431 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001608696664 1351743906 /nfs/dbraw/zinc/74/39/06/1351743906.db2.gz OHMGISJZRCHBCB-VIFPVBQESA-N -1 0 341.751 2.126 20 5 EEBDRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001608818932 1351771161 /nfs/dbraw/zinc/77/11/61/1351771161.db2.gz GHPHELKZJNDQBO-LLVKDONJSA-N -1 0 339.254 2.011 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCc1nncn1C1CC1 ZINC001608862592 1351780830 /nfs/dbraw/zinc/78/08/30/1351780830.db2.gz FAIKRDIBLOHBCE-UHFFFAOYSA-N -1 0 337.723 2.485 20 5 EEBDRM O=C([O-])c1cnc(N2CC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])c1 ZINC001608974130 1351806085 /nfs/dbraw/zinc/80/60/85/1351806085.db2.gz DEOOVBXIZLKNRG-SECBINFHSA-N -1 0 334.357 2.214 20 5 EEBDRM O=C([O-])c1cnc(NCc2ccnc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC001608978305 1351806418 /nfs/dbraw/zinc/80/64/18/1351806418.db2.gz OIJQAVWUUOOJMI-UHFFFAOYSA-N -1 0 340.242 2.297 20 5 EEBDRM CC[C@@H](C)n1ncc([N-]c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1C ZINC001609187535 1351882108 /nfs/dbraw/zinc/88/21/08/1351882108.db2.gz HRAQNOWINMPZJP-MRVPVSSYSA-N -1 0 343.351 2.389 20 5 EEBDRM C[C@H](C(=O)Nc1cccc(CC(=O)[O-])n1)c1ccc([N+](=O)[O-])cc1F ZINC001609637997 1352047609 /nfs/dbraw/zinc/04/76/09/1352047609.db2.gz VQWTWFKKDDKYHY-VIFPVBQESA-N -1 0 347.302 2.498 20 5 EEBDRM C[C@@H](N(C)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C1(C)CC1 ZINC001609759434 1352078258 /nfs/dbraw/zinc/07/82/58/1352078258.db2.gz CVZHTHQFGDDHSL-SNVBAGLBSA-N -1 0 335.360 2.034 20 5 EEBDRM CN(CC1=CCSC1)c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C ZINC001338300932 1336835544 /nfs/dbraw/zinc/83/55/44/1336835544.db2.gz IVMWHEVEIINJRF-UHFFFAOYSA-N -1 0 347.400 2.205 20 5 EEBDRM C[C@@H]1CC(C)(C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001609841121 1352098736 /nfs/dbraw/zinc/09/87/36/1352098736.db2.gz GVSXDKQMEHEWKQ-SECBINFHSA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccccc1 ZINC001609890793 1352112044 /nfs/dbraw/zinc/11/20/44/1352112044.db2.gz ZAWDYBVTYXHMJH-LBPRGKRZSA-N -1 0 346.343 2.321 20 5 EEBDRM CC[C@@H]1CCCCN1C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001609951308 1352127533 /nfs/dbraw/zinc/12/75/33/1352127533.db2.gz JOYMRZNLEOKWQN-LLVKDONJSA-N -1 0 336.344 2.463 20 5 EEBDRM CCN(CC(C)(C)O)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001609993234 1352136729 /nfs/dbraw/zinc/13/67/29/1352136729.db2.gz JVVQHGZHKLAJGN-UHFFFAOYSA-N -1 0 339.348 2.226 20 5 EEBDRM CCc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(C(=O)[O-])c1 ZINC001610062683 1352153195 /nfs/dbraw/zinc/15/31/95/1352153195.db2.gz GADQIWTZNWWOFX-UHFFFAOYSA-N -1 0 332.316 2.081 20 5 EEBDRM CCc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC001610070514 1352154931 /nfs/dbraw/zinc/15/49/31/1352154931.db2.gz MVPSRBGLAYMPLB-UHFFFAOYSA-N -1 0 335.341 2.493 20 5 EEBDRM CCc1nn(C)c(NC[C@H](C(=O)[O-])c2ccc(C)cc2)c1[N+](=O)[O-] ZINC001610073990 1352156276 /nfs/dbraw/zinc/15/62/76/1352156276.db2.gz SNLZZIIPLNXGBQ-LBPRGKRZSA-N -1 0 332.360 2.479 20 5 EEBDRM CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(OCC(=O)[O-])cc1 ZINC001610094253 1352160679 /nfs/dbraw/zinc/16/06/79/1352160679.db2.gz HZIXYVLUKLTTPZ-UHFFFAOYSA-N -1 0 348.286 2.474 20 5 EEBDRM CN(Cc1nc2ccccc2[nH]1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610126914 1352168244 /nfs/dbraw/zinc/16/82/44/1352168244.db2.gz ZWLTUKYOSUCZKA-UHFFFAOYSA-N -1 0 327.300 2.201 20 5 EEBDRM COC(=O)c1ccc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001610210314 1352186537 /nfs/dbraw/zinc/18/65/37/1352186537.db2.gz JBBOZNUWUWCVPS-UHFFFAOYSA-N -1 0 345.263 2.299 20 5 EEBDRM Cc1[nH]c(C(=O)COc2cc(C=O)ccc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC001610398977 1352216534 /nfs/dbraw/zinc/21/65/34/1352216534.db2.gz FMDMLRFUXLELKO-UHFFFAOYSA-N -1 0 346.295 2.312 20 5 EEBDRM Cc1c(NC(=O)NC[C@H]2CCCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610425059 1352220773 /nfs/dbraw/zinc/22/07/73/1352220773.db2.gz SXYYMYZOKAOHGF-SNVBAGLBSA-N -1 0 337.332 2.150 20 5 EEBDRM Cc1cccc(OC[C@@H](O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001610524703 1352238499 /nfs/dbraw/zinc/23/84/99/1352238499.db2.gz NRXPNYPSLQNCFU-CYBMUJFWSA-N -1 0 347.323 2.420 20 5 EEBDRM O=C([O-])c1cnc(Sc2ncn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC001610863014 1352286919 /nfs/dbraw/zinc/28/69/19/1352286919.db2.gz PTHSMSSUXLNCJM-UHFFFAOYSA-N -1 0 343.324 2.420 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](CO)CC2CCOCC2)c1 ZINC001610842210 1352283697 /nfs/dbraw/zinc/28/36/97/1352283697.db2.gz RYICFKHPOBFZJY-GFCCVEGCSA-N -1 0 338.360 2.130 20 5 EEBDRM O=C([O-])CCS(=O)(=O)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001574882605 1343708811 /nfs/dbraw/zinc/70/88/11/1343708811.db2.gz QJIAIQKQQDEDNF-UHFFFAOYSA-N -1 0 344.128 2.085 20 5 EEBDRM Cc1c(NC(=O)NC2(CC(=O)[O-])CCOCC2)cccc1[N+](=O)[O-] ZINC001600040388 1349960220 /nfs/dbraw/zinc/96/02/20/1349960220.db2.gz POJWNWVDYBWHBQ-UHFFFAOYSA-N -1 0 337.332 2.049 20 5 EEBDRM Cc1cc(Cl)c(C(=O)NCCSCCC(=O)[O-])cc1[N+](=O)[O-] ZINC001600216282 1349995278 /nfs/dbraw/zinc/99/52/78/1349995278.db2.gz BHWRZIZOKQVIHQ-UHFFFAOYSA-N -1 0 346.792 2.494 20 5 EEBDRM Cc1cc(Cc2noc(CCSCC(=O)[O-])n2)ccc1[N+](=O)[O-] ZINC001600216068 1349995279 /nfs/dbraw/zinc/99/52/79/1349995279.db2.gz OMXCGTPNNFGJDI-UHFFFAOYSA-N -1 0 337.357 2.237 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001600216098 1349995333 /nfs/dbraw/zinc/99/53/33/1349995333.db2.gz ATUSFNHZYRMPKX-UHFFFAOYSA-N -1 0 339.691 2.057 20 5 EEBDRM Cc1ccc(OC[C@H](O)COc2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001600469138 1350059502 /nfs/dbraw/zinc/05/95/02/1350059502.db2.gz FLISOZUZOISEGS-LBPRGKRZSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1nc([C@](C)(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C2CC2)no1 ZINC001600688960 1350116801 /nfs/dbraw/zinc/11/68/01/1350116801.db2.gz WBSKJJKNEFEVMO-MRXNPFEDSA-N -1 0 346.343 2.399 20 5 EEBDRM Cc1ncoc1CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001600758489 1350130180 /nfs/dbraw/zinc/13/01/80/1350130180.db2.gz PYDFNDNKVHZWQT-UHFFFAOYSA-N -1 0 334.288 2.220 20 5 EEBDRM Cn1cc(C(=O)O[C@H](C(=O)[O-])C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001600941198 1350173246 /nfs/dbraw/zinc/17/32/46/1350173246.db2.gz MHPMHILDJDZPNY-AWEZNQCLSA-N -1 0 345.311 2.015 20 5 EEBDRM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001601028965 1350193969 /nfs/dbraw/zinc/19/39/69/1350193969.db2.gz OZDULGJMNZARJX-UHFFFAOYSA-N -1 0 342.670 2.071 20 5 EEBDRM Nc1c(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc(F)cc1[N+](=O)[O-] ZINC001601207167 1350230832 /nfs/dbraw/zinc/23/08/32/1350230832.db2.gz SUXZRUFRWIMNOG-UHFFFAOYSA-N -1 0 345.286 2.217 20 5 EEBDRM Nc1c(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc(F)cc1[N+](=O)[O-] ZINC001601208820 1350231312 /nfs/dbraw/zinc/23/13/12/1350231312.db2.gz UVWAZEDETWVAFW-UHFFFAOYSA-N -1 0 349.274 2.032 20 5 EEBDRM O=C([O-])C1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC001601362407 1350266796 /nfs/dbraw/zinc/26/67/96/1350266796.db2.gz SYJSMCBJQJGUQU-UHFFFAOYSA-N -1 0 338.335 2.428 20 5 EEBDRM O=C([O-])C1CC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001601434643 1350283213 /nfs/dbraw/zinc/28/32/13/1350283213.db2.gz RAZQPLOSYAOXTN-UHFFFAOYSA-N -1 0 333.127 2.495 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC001601595981 1350315359 /nfs/dbraw/zinc/31/53/59/1350315359.db2.gz ATDMMNXBECVPFH-UHFFFAOYSA-N -1 0 337.675 2.299 20 5 EEBDRM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001601754947 1350357354 /nfs/dbraw/zinc/35/73/54/1350357354.db2.gz PGAOBOXNWLHOKW-ZBFHGGJFSA-N -1 0 346.339 2.265 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001601812133 1350370198 /nfs/dbraw/zinc/37/01/98/1350370198.db2.gz FYFHXHJNAVTACP-ZWNOBZJWSA-N -1 0 327.358 2.260 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001601889465 1350391046 /nfs/dbraw/zinc/39/10/46/1350391046.db2.gz DYAZSQNSFUJCKI-GFCCVEGCSA-N -1 0 333.344 2.121 20 5 EEBDRM O=C([O-])CCCONC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001601994388 1350413131 /nfs/dbraw/zinc/41/31/31/1350413131.db2.gz ABZJSWOULCUNOT-UHFFFAOYSA-N -1 0 349.246 2.114 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)c1nc2sccn2c1[N+](=O)[O-] ZINC001602008597 1350417776 /nfs/dbraw/zinc/41/77/76/1350417776.db2.gz VMFJUHJJZJUEFQ-UHFFFAOYSA-N -1 0 347.356 2.180 20 5 EEBDRM O=C([O-])c1cc(C2CN(c3nc4ccccc4cc3[N+](=O)[O-])C2)[nH]n1 ZINC001602254739 1350478709 /nfs/dbraw/zinc/47/87/09/1350478709.db2.gz MZGZFVZWABHADS-UHFFFAOYSA-N -1 0 339.311 2.168 20 5 EEBDRM O=C([O-])c1cc(F)cc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001602272304 1350482948 /nfs/dbraw/zinc/48/29/48/1350482948.db2.gz YGJJDFADVQHIID-UHFFFAOYSA-N -1 0 332.287 2.405 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc(-n3cncn3)cc2)c1 ZINC001602405639 1350511919 /nfs/dbraw/zinc/51/19/19/1350511919.db2.gz CBVVXHSAYGSRCH-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2ccc(C3(O)COC3)cc2)c1 ZINC001602408963 1350512783 /nfs/dbraw/zinc/51/27/83/1350512783.db2.gz YQLCNFZNTTYESI-UHFFFAOYSA-N -1 0 330.296 2.254 20 5 EEBDRM O=C([O-])c1cccc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001602458878 1350524025 /nfs/dbraw/zinc/52/40/25/1350524025.db2.gz DIJURBYJPRMSQU-UHFFFAOYSA-N -1 0 326.308 2.492 20 5 EEBDRM O=C([O-])c1ccccc1CCn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001602468445 1350526476 /nfs/dbraw/zinc/52/64/76/1350526476.db2.gz XTQCNPBSKAXLMF-UHFFFAOYSA-N -1 0 339.311 2.189 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@H]2CC(=O)c3ccccc3O2)c1[N+](=O)[O-] ZINC001602636448 1350563248 /nfs/dbraw/zinc/56/32/48/1350563248.db2.gz FPRNIOPLZQSNIL-SECBINFHSA-N -1 0 343.295 2.134 20 5 EEBDRM O=C([O-])/C(=C\c1ccc(Cl)cc1[N+](=O)[O-])CN1CCC(=O)CC1 ZINC001602647006 1350565179 /nfs/dbraw/zinc/56/51/79/1350565179.db2.gz SXLJFPRKLAGFRK-XFFZJAGNSA-N -1 0 338.747 2.381 20 5 EEBDRM C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001604095208 1350855090 /nfs/dbraw/zinc/85/50/90/1350855090.db2.gz QWWJCCVSNLPSJO-ZETCQYMHSA-N -1 0 345.149 2.084 20 5 EEBDRM C[C@@H](CNC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccccc1[N+](=O)[O-] ZINC001604178343 1350885099 /nfs/dbraw/zinc/88/50/99/1350885099.db2.gz YXFPLFRTGAFAMV-AAEUAGOBSA-N -1 0 349.387 2.498 20 5 EEBDRM C[C@@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1nncn1C ZINC001604189913 1350889334 /nfs/dbraw/zinc/88/93/34/1350889334.db2.gz GHWYPHNFIRAFLS-ZETCQYMHSA-N -1 0 339.739 2.291 20 5 EEBDRM C[C@H](OC(=O)c1cc(C(=O)[O-])co1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001604408303 1350931869 /nfs/dbraw/zinc/93/18/69/1350931869.db2.gz YCWFWFLGDALVSI-QMMMGPOBSA-N -1 0 348.267 2.070 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001604494798 1350949841 /nfs/dbraw/zinc/94/98/41/1350949841.db2.gz NSFCAZLDFHWRSB-CQSZACIVSA-N -1 0 341.751 2.157 20 5 EEBDRM CCC1=C(C(=O)[O-])[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=S)N1 ZINC001605150068 1351088742 /nfs/dbraw/zinc/08/87/42/1351088742.db2.gz JAQRIDLOFMCGQY-NSHDSACASA-N -1 0 325.321 2.001 20 5 EEBDRM CCN(CC1CCC1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001605436304 1351157534 /nfs/dbraw/zinc/15/75/34/1351157534.db2.gz DIXFCOIUDZSBTA-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM CCOC(=O)c1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC001605570648 1351191845 /nfs/dbraw/zinc/19/18/45/1351191845.db2.gz CUNCAXXVHVUWAR-UHFFFAOYSA-N -1 0 335.272 2.070 20 5 EEBDRM CC[C@@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)c1cccc([N+](=O)[O-])c1 ZINC001605747854 1351220988 /nfs/dbraw/zinc/22/09/88/1351220988.db2.gz BJLYFTSXLMIQKX-GFCCVEGCSA-N -1 0 347.331 2.299 20 5 EEBDRM Cc1ccc(SCCn2cc([N+](=O)[O-])c(-c3nnn[n-]3)n2)cc1C ZINC001605883874 1351246177 /nfs/dbraw/zinc/24/61/77/1351246177.db2.gz LBYWKMZNZALCND-UHFFFAOYSA-N -1 0 345.388 2.381 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001605904835 1351250600 /nfs/dbraw/zinc/25/06/00/1351250600.db2.gz LJXFORCEKMGKEI-GFCCVEGCSA-N -1 0 348.359 2.181 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)NC2(CC(=O)[O-])CC2)cc1SC ZINC001607189839 1351446102 /nfs/dbraw/zinc/44/61/02/1351446102.db2.gz JGFCCYSFWKPQBZ-UHFFFAOYSA-N -1 0 340.357 2.062 20 5 EEBDRM C[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001607422033 1351492272 /nfs/dbraw/zinc/49/22/72/1351492272.db2.gz HHRLOYPBKYIODN-BLUODKFWSA-N -1 0 347.371 2.454 20 5 EEBDRM Cc1cc(NCc2c(C)c(C)n[nH]c2=O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607695225 1351541258 /nfs/dbraw/zinc/54/12/58/1351541258.db2.gz FIGPDCFUWDEVCC-UHFFFAOYSA-N -1 0 332.316 2.326 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C(=O)[O-])cn2)c1C ZINC001607825286 1351565878 /nfs/dbraw/zinc/56/58/78/1351565878.db2.gz UEYAPUSVKKWHJA-UHFFFAOYSA-N -1 0 329.312 2.235 20 5 EEBDRM Cc1ccsc1[C@@H](CO)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607901302 1351582484 /nfs/dbraw/zinc/58/24/84/1351582484.db2.gz CSNHOMVGMMEBAT-GFCCVEGCSA-N -1 0 336.369 2.486 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(N2CCCC2)nn1 ZINC000837499977 1372788100 /nfs/dbraw/zinc/78/81/00/1372788100.db2.gz ZUUZAOYKQWDLDE-UHFFFAOYSA-N -1 0 344.327 2.048 20 5 EEBDRM CNc1nccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001606314133 1404788759 /nfs/dbraw/zinc/78/87/59/1404788759.db2.gz IXSWYJDDBCUEIG-UHFFFAOYSA-N -1 0 344.327 2.301 20 5 EEBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237993133 774521785 /nfs/dbraw/zinc/52/17/85/774521785.db2.gz XZNRQVVWRULUHM-SNVBAGLBSA-N -1 0 346.343 2.331 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000846718443 790456302 /nfs/dbraw/zinc/45/63/02/790456302.db2.gz WVWMSYQKYXYIBZ-CYBMUJFWSA-N -1 0 335.360 2.130 20 5 EEBDRM O=C([O-])CC1(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCC1 ZINC000846711654 790493935 /nfs/dbraw/zinc/49/39/35/790493935.db2.gz BRSKCOKOHNURPB-UHFFFAOYSA-N -1 0 344.726 2.443 20 5 EEBDRM O=C([O-])CC1(CC(=O)Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC000817571721 784843311 /nfs/dbraw/zinc/84/33/11/784843311.db2.gz SDMXNBDNDQHZSY-UHFFFAOYSA-N -1 0 337.288 2.477 20 5 EEBDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817718222 784950820 /nfs/dbraw/zinc/95/08/20/784950820.db2.gz WZCOWEPOSFHQEN-UHFFFAOYSA-N -1 0 328.390 2.460 20 5 EEBDRM CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000818326472 785243866 /nfs/dbraw/zinc/24/38/66/785243866.db2.gz YAJYUOWUEPRECM-UHFFFAOYSA-N -1 0 339.304 2.124 20 5 EEBDRM C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000819935652 785731139 /nfs/dbraw/zinc/73/11/39/785731139.db2.gz ULZAHIOMVSUFMS-QWRGUYRKSA-N -1 0 326.374 2.226 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@]2(O)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000844211508 788929888 /nfs/dbraw/zinc/92/98/88/788929888.db2.gz BJGPAACVOCQILU-SFHVURJKSA-N -1 0 342.351 2.468 20 5 EEBDRM NCc1nccnc1[N-]c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001171449946 796520178 /nfs/dbraw/zinc/52/01/78/796520178.db2.gz LQVMVCNXUZDBLB-UHFFFAOYSA-N -1 0 342.128 2.489 20 5 EEBDRM O=C(Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000916184445 797542159 /nfs/dbraw/zinc/54/21/59/797542159.db2.gz YGDVXJFSKCBMPV-KHPPLWFESA-N -1 0 346.364 2.254 20 5 EEBDRM COCCN(c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ncccc1N ZINC001174502632 797784112 /nfs/dbraw/zinc/78/41/12/797784112.db2.gz DHVYUKZFVDKECN-UHFFFAOYSA-N -1 0 332.316 2.055 20 5 EEBDRM COC(=O)c1cc(N)cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174504971 797785022 /nfs/dbraw/zinc/78/50/22/797785022.db2.gz NMNDCJLAVMABCG-UHFFFAOYSA-N -1 0 331.284 2.405 20 5 EEBDRM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000808554342 812700199 /nfs/dbraw/zinc/70/01/99/812700199.db2.gz YFJUDOROWQNECW-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM Nc1c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000345839559 939128396 /nfs/dbraw/zinc/12/83/96/939128396.db2.gz LRROLSATQBXRPQ-CYBMUJFWSA-N -1 0 349.730 2.386 20 5 EEBDRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001601237313 970962540 /nfs/dbraw/zinc/96/25/40/970962540.db2.gz QFSMZQIBCLKDNO-VURMDHGXSA-N -1 0 330.296 2.258 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001589306363 953744611 /nfs/dbraw/zinc/74/46/11/953744611.db2.gz UVFXMYBLCZNADE-GHMZBOCLSA-N -1 0 345.355 2.330 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001594919271 954794382 /nfs/dbraw/zinc/79/43/82/954794382.db2.gz NUOUKDWVNHFJKK-SECBINFHSA-N -1 0 326.736 2.114 20 5 EEBDRM CC[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC001589536867 955164760 /nfs/dbraw/zinc/16/47/60/955164760.db2.gz BLLMPOFAUIGVBB-QMMMGPOBSA-N -1 0 329.740 2.158 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000843334419 955639489 /nfs/dbraw/zinc/63/94/89/955639489.db2.gz JFPWBSGBKURFSB-WPRPVWTQSA-N -1 0 326.736 2.431 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001594706555 956842528 /nfs/dbraw/zinc/84/25/28/956842528.db2.gz HWAMWCFXJZVSIO-ZJUUUORDSA-N -1 0 326.736 2.160 20 5 EEBDRM Cc1cc(OCC(=O)NC[C@@H](CC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594328209 958191126 /nfs/dbraw/zinc/19/11/26/958191126.db2.gz LEYZFWPLSLWOEG-GFCCVEGCSA-N -1 0 338.360 2.145 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001573645190 959633742 /nfs/dbraw/zinc/63/37/42/959633742.db2.gz AXNPWBPMYUNDMY-ZDUSSCGKSA-N -1 0 330.699 2.467 20 5 EEBDRM Cc1cc(NC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001574338433 960928745 /nfs/dbraw/zinc/92/87/45/960928745.db2.gz TYPBHCLYGPHDDO-AWEZNQCLSA-N -1 0 344.327 2.116 20 5 EEBDRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3ccccc3[N+](=O)[O-])C2)cn1 ZINC001574455076 961503512 /nfs/dbraw/zinc/50/35/12/961503512.db2.gz WBSYCTHPZBQKAO-NEPJUHHUSA-N -1 0 330.344 2.023 20 5 EEBDRM CC(C)C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC001588847052 961892053 /nfs/dbraw/zinc/89/20/53/961892053.db2.gz XSSUHIZMQMVZPE-NSHDSACASA-N -1 0 326.324 2.140 20 5 EEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001588920618 962370311 /nfs/dbraw/zinc/37/03/11/962370311.db2.gz PGWGZBYAYDDNEC-JOCQHMNTSA-N -1 0 335.360 2.378 20 5 EEBDRM O=C([O-])c1cc(OC[C@@H](O)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000302059881 963067541 /nfs/dbraw/zinc/06/75/41/963067541.db2.gz JIEFMEYWRBCWPI-ZDUSSCGKSA-N -1 0 347.323 2.250 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cn1 ZINC001588619866 969889702 /nfs/dbraw/zinc/88/97/02/969889702.db2.gz DLUJFXUNMXRGFH-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC001603301252 972576896 /nfs/dbraw/zinc/57/68/96/972576896.db2.gz LWYAETNMQUVVNC-UHFFFAOYSA-N -1 0 331.328 2.403 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cn1 ZINC001605855177 972601338 /nfs/dbraw/zinc/60/13/38/972601338.db2.gz JUEPCDDCBGGGQU-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001603380017 972944776 /nfs/dbraw/zinc/94/47/76/972944776.db2.gz CCKROMKACBUTHO-WCQYABFASA-N -1 0 348.355 2.269 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH]nc1C(=O)[O-] ZINC001603575554 973722601 /nfs/dbraw/zinc/72/26/01/973722601.db2.gz UUAWKYXMBPGVMT-SNVBAGLBSA-N -1 0 332.316 2.224 20 5 EEBDRM Nc1c(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC001605653517 974031403 /nfs/dbraw/zinc/03/14/03/974031403.db2.gz NHSUUPMEUTVBCL-NSHDSACASA-N -1 0 341.323 2.396 20 5 EEBDRM CCC(CC)(CO)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595088584 979379946 /nfs/dbraw/zinc/37/99/46/979379946.db2.gz PQVLDCIYMSONQS-UHFFFAOYSA-N -1 0 325.317 2.135 20 5 EEBDRM CC[C@@](COC)(NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(=O)[O-] ZINC001595192948 979881238 /nfs/dbraw/zinc/88/12/38/979881238.db2.gz BKIBSBHDFUPPSE-KRWDZBQOSA-N -1 0 346.339 2.358 20 5 EEBDRM CC[C@@H](C)C[C@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594945468 982633388 /nfs/dbraw/zinc/63/33/88/982633388.db2.gz PZTZLRXPGAJQFY-KCJUWKMLSA-N -1 0 342.323 2.362 20 5 EEBDRM CC[C@@H](C)C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(=O)[O-] ZINC001594954114 982684652 /nfs/dbraw/zinc/68/46/52/982684652.db2.gz ZBXQYDMQWXPGOZ-SKDRFNHKSA-N -1 0 344.389 2.300 20 5 EEBDRM CC[C@H](C)C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(=O)[O-] ZINC001594954113 982684769 /nfs/dbraw/zinc/68/47/69/982684769.db2.gz ZBXQYDMQWXPGOZ-JOYOIKCWSA-N -1 0 344.389 2.300 20 5 EEBDRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC001588939841 984631411 /nfs/dbraw/zinc/63/14/11/984631411.db2.gz UGUXSTNMLRUWQT-HGPCXVNDSA-N -1 0 341.323 2.335 20 5 EEBDRM C[C@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001599893875 984729293 /nfs/dbraw/zinc/72/92/93/984729293.db2.gz HHRLOYPBKYIODN-CDCRFNPESA-N -1 0 347.371 2.454 20 5 EEBDRM CCON(CC)C(=O)CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001596963557 986161151 /nfs/dbraw/zinc/16/11/51/986161151.db2.gz KTNIIKIAVICSRM-UHFFFAOYSA-N -1 0 345.739 2.158 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001597142828 986892273 /nfs/dbraw/zinc/89/22/73/986892273.db2.gz MPWTYOXWTBNULO-QWRGUYRKSA-N -1 0 337.332 2.368 20 5 EEBDRM CCc1cc(CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)[nH]n1 ZINC001597478581 987963369 /nfs/dbraw/zinc/96/33/69/987963369.db2.gz PDMHYYVIGUYVTI-UHFFFAOYSA-N -1 0 347.331 2.209 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])c1 ZINC001599821300 988517951 /nfs/dbraw/zinc/51/79/51/988517951.db2.gz UQLHGOYPSXNDAZ-PSLIRLAXSA-N -1 0 336.369 2.396 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1 ZINC001599823113 988549273 /nfs/dbraw/zinc/54/92/73/988549273.db2.gz YLFPHLWRWPEVKL-VFZGTOFNSA-N -1 0 338.385 2.500 20 5 EEBDRM CN(C)C(=O)[C@@H]1CCC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598118818 990531000 /nfs/dbraw/zinc/53/10/00/990531000.db2.gz OSVMKXQOMMGMHO-PWSUYJOCSA-N -1 0 335.360 2.352 20 5 EEBDRM CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)CC(=O)[O-] ZINC001590750723 990550253 /nfs/dbraw/zinc/55/02/53/990550253.db2.gz QOOFHTICYHROLW-UHFFFAOYSA-N -1 0 331.328 2.374 20 5 EEBDRM COc1ccnc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001599720925 991536683 /nfs/dbraw/zinc/53/66/83/991536683.db2.gz SXDWAQZFLRVHRW-INIZCTEOSA-N -1 0 331.328 2.088 20 5 EEBDRM COc1nscc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599743965 991903407 /nfs/dbraw/zinc/90/34/07/991903407.db2.gz VQMZFNPTXIHCDR-CQSZACIVSA-N -1 0 337.357 2.150 20 5 EEBDRM C[C@](NCc1cn(C2CCC2)nn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593310834 994774934 /nfs/dbraw/zinc/77/49/34/994774934.db2.gz LQDBZMQXLKBPRM-MRXNPFEDSA-N -1 0 345.359 2.001 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001598680441 994919847 /nfs/dbraw/zinc/91/98/47/994919847.db2.gz INBHWFMEFFGIOJ-HNNXBMFYSA-N -1 0 344.323 2.489 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC001593772977 996469986 /nfs/dbraw/zinc/46/99/86/996469986.db2.gz PELGZLBJMZUZIJ-MRXNPFEDSA-N -1 0 331.328 2.403 20 5 EEBDRM COC(=O)CCC1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001598850292 996597793 /nfs/dbraw/zinc/59/77/93/996597793.db2.gz HZZHXXGUIMJWIR-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM COc1ccc(C(=O)OCc2cccc(C(=O)[O-])n2)cc1[N+](=O)[O-] ZINC001599504810 997192942 /nfs/dbraw/zinc/19/29/42/997192942.db2.gz NFEGXDCSLMXSDV-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1cc(OCC(=O)Oc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001599455760 998185914 /nfs/dbraw/zinc/18/59/14/998185914.db2.gz JRRFQLPBYOPYLS-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001594141620 998444870 /nfs/dbraw/zinc/44/48/70/998444870.db2.gz KVVNIQZWYYCSKY-KOLCDFICSA-N -1 0 338.335 2.333 20 5 EEBDRM COCCc1nsc(Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])n1 ZINC001599266609 998479751 /nfs/dbraw/zinc/47/97/51/998479751.db2.gz VULWSLPIUQRYDJ-UHFFFAOYSA-N -1 0 325.302 2.126 20 5 EEBDRM O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029666485 212676697 /nfs/dbraw/zinc/67/66/97/212676697.db2.gz ASMGZKZMLSRWAG-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000067116669 201159462 /nfs/dbraw/zinc/15/94/62/201159462.db2.gz GBZRDTUPZSXFKU-UHFFFAOYSA-N -1 0 349.368 2.057 20 5 EEBDRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262421363 201203726 /nfs/dbraw/zinc/20/37/26/201203726.db2.gz FCLUXAMQNNAKQM-MRVPVSSYSA-N -1 0 340.641 2.384 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000237524549 296104967 /nfs/dbraw/zinc/10/49/67/296104967.db2.gz SGFOFDGHIUFTJX-GRYCIOLGSA-N -1 0 349.387 2.280 20 5 EEBDRM Cc1cc(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccn1 ZINC000451677729 243202917 /nfs/dbraw/zinc/20/29/17/243202917.db2.gz VKNOXSHHVGHACU-UHFFFAOYSA-N -1 0 335.385 2.394 20 5 EEBDRM O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000456256209 244200257 /nfs/dbraw/zinc/20/02/57/244200257.db2.gz BLPMFEUJJXOFEE-DOMZBBRYSA-N -1 0 343.339 2.346 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000075104920 203301120 /nfs/dbraw/zinc/30/11/20/203301120.db2.gz OZNBZAXFHSOXOX-UHFFFAOYSA-N -1 0 328.375 2.118 20 5 EEBDRM C[C@H](CC(=O)[O-])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262731184 245149136 /nfs/dbraw/zinc/14/91/36/245149136.db2.gz DHDQLCDWCMLIOB-SSDOTTSWSA-N -1 0 332.765 2.320 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262964026 245271698 /nfs/dbraw/zinc/27/16/98/245271698.db2.gz MFKGABWLEFLPFJ-BJJXKVORSA-N -1 0 332.356 2.239 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1CC(F)(F)F ZINC000156001551 206049064 /nfs/dbraw/zinc/04/90/64/206049064.db2.gz ZYDVXJDQPHWJGG-SECBINFHSA-N -1 0 347.293 2.009 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000158388637 206188422 /nfs/dbraw/zinc/18/84/22/206188422.db2.gz YEEYIVVBZHVSTH-LLVKDONJSA-N -1 0 341.751 2.126 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165087325 304185815 /nfs/dbraw/zinc/18/58/15/304185815.db2.gz QBMKIPCRKSNBQO-SNVBAGLBSA-N -1 0 343.133 2.047 20 5 EEBDRM CCc1ncsc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000162026648 206381250 /nfs/dbraw/zinc/38/12/50/206381250.db2.gz QXHZHWOONIUODQ-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000174915812 207072111 /nfs/dbraw/zinc/07/21/11/207072111.db2.gz LQCQFFVIUMMEFR-UHFFFAOYSA-N -1 0 342.352 2.387 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013345425 207375479 /nfs/dbraw/zinc/37/54/79/207375479.db2.gz DJZZXIGYFHNNIE-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000347383031 304267929 /nfs/dbraw/zinc/26/79/29/304267929.db2.gz VRMYYWZHBOPIQR-UHFFFAOYSA-N -1 0 326.308 2.425 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000273717659 256321247 /nfs/dbraw/zinc/32/12/47/256321247.db2.gz LUEZBPXJEPSEOD-LLVKDONJSA-N -1 0 346.380 2.362 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000262696820 152307544 /nfs/dbraw/zinc/30/75/44/152307544.db2.gz BGPNLSXCIBNFMU-LKFCYVNXSA-N -1 0 342.348 2.101 20 5 EEBDRM CCCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000129045034 292350992 /nfs/dbraw/zinc/35/09/92/292350992.db2.gz QQCRWNABVCPDFN-UHFFFAOYSA-N -1 0 349.387 2.069 20 5 EEBDRM CSc1ccc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263321249 160456419 /nfs/dbraw/zinc/45/64/19/160456419.db2.gz JQJPUNUEJDLMPG-MWLCHTKSSA-N -1 0 338.385 2.500 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263384030 160461610 /nfs/dbraw/zinc/46/16/10/160461610.db2.gz CHKOTICJTQXGAO-RKDXNWHRSA-N -1 0 346.261 2.238 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000328416519 160545875 /nfs/dbraw/zinc/54/58/75/160545875.db2.gz RKWSRPKHGHSERE-UHFFFAOYSA-N -1 0 340.335 2.420 20 5 EEBDRM CC(=O)N1CCc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])ccc21 ZINC000089531103 159183121 /nfs/dbraw/zinc/18/31/21/159183121.db2.gz WVTDFHKJNDHDSF-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM CC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000236989622 160219774 /nfs/dbraw/zinc/21/97/74/160219774.db2.gz MOVWTFIEXGMSLD-SNVBAGLBSA-N -1 0 335.341 2.311 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000238039743 160227456 /nfs/dbraw/zinc/22/74/56/160227456.db2.gz JOIYYFPJCXYFNF-UHFFFAOYSA-N -1 0 329.312 2.135 20 5 EEBDRM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345583044 161313386 /nfs/dbraw/zinc/31/33/86/161313386.db2.gz HOJSRLBJVGSWHX-UHFFFAOYSA-N -1 0 326.671 2.322 20 5 EEBDRM O=C(Nc1cc(Cl)c([O-])cc1F)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000345602695 161314948 /nfs/dbraw/zinc/31/49/48/161314948.db2.gz GCSKYFURRATRKT-UHFFFAOYSA-N -1 0 327.655 2.446 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cnc(C(F)(F)F)s2)[nH]1 ZINC000352027891 162036042 /nfs/dbraw/zinc/03/60/42/162036042.db2.gz RBMVPWOWDUHFHA-UPHRSURJSA-N -1 0 334.235 2.442 20 5 EEBDRM CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000368795627 166128821 /nfs/dbraw/zinc/12/88/21/166128821.db2.gz RDDYPJSEGGKQCI-UHFFFAOYSA-N -1 0 347.396 2.384 20 5 EEBDRM O=C(c1ccc(O)cc1)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000370002507 166374563 /nfs/dbraw/zinc/37/45/63/166374563.db2.gz PSQIEISLRJMZKE-UHFFFAOYSA-N -1 0 344.371 2.092 20 5 EEBDRM CN1C(=O)CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000339117875 289812988 /nfs/dbraw/zinc/81/29/88/289812988.db2.gz JDOIZIFGVLDRRW-KRWDZBQOSA-N -1 0 327.340 2.273 20 5 EEBDRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000262136352 298210824 /nfs/dbraw/zinc/21/08/24/298210824.db2.gz LLHITGLUUKMHAN-GFCCVEGCSA-N -1 0 349.387 2.376 20 5 EEBDRM O=C(N[C@@H](CO)c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436894387 315010375 /nfs/dbraw/zinc/01/03/75/315010375.db2.gz SIDWTVXQSXIBNJ-LBPRGKRZSA-N -1 0 338.266 2.042 20 5 EEBDRM C[C@H](CN(C)C(=O)OC(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000496833642 316289489 /nfs/dbraw/zinc/28/94/89/316289489.db2.gz JZBILKCHTLKXLF-SECBINFHSA-N -1 0 327.337 2.335 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1noc(C(C)C)n1 ZINC000537593875 318021370 /nfs/dbraw/zinc/02/13/70/318021370.db2.gz VEQNPEMRSJUHJV-UHFFFAOYSA-N -1 0 326.334 2.210 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1noc(C(C)C)n1 ZINC000540894185 318081409 /nfs/dbraw/zinc/08/14/09/318081409.db2.gz KYPUFUTXRFRMNS-UHFFFAOYSA-N -1 0 326.334 2.210 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-] ZINC000547939526 318335542 /nfs/dbraw/zinc/33/55/42/318335542.db2.gz KAOOBIZBQUQYEZ-NSHDSACASA-N -1 0 344.389 2.215 20 5 EEBDRM C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H](C)C1 ZINC000565060786 319145042 /nfs/dbraw/zinc/14/50/42/319145042.db2.gz MWGPZXHYVOEVOR-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000565281957 319168123 /nfs/dbraw/zinc/16/81/23/319168123.db2.gz DGEMTPIVFMUOTP-YGRLFVJLSA-N -1 0 329.312 2.182 20 5 EEBDRM CCCc1nc(=NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)s[n-]1 ZINC000565532321 319191202 /nfs/dbraw/zinc/19/12/02/319191202.db2.gz JCQLKZULHKFYMU-UHFFFAOYSA-N -1 0 347.400 2.411 20 5 EEBDRM CN(CCC[N@H+](C)Cc1ccco1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565775904 319212933 /nfs/dbraw/zinc/21/29/33/319212933.db2.gz BQJIZPUHBQWFAG-UHFFFAOYSA-N -1 0 348.359 2.239 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000566297873 319271586 /nfs/dbraw/zinc/27/15/86/319271586.db2.gz VCMWKHNQDPRLFA-KRWDZBQOSA-N -1 0 345.355 2.461 20 5 EEBDRM COCCC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000566858159 319327365 /nfs/dbraw/zinc/32/73/65/319327365.db2.gz VOXNFYNXUGRLKW-UHFFFAOYSA-N -1 0 328.752 2.452 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC3(CCOCC3)[C@@H]2C)n1 ZINC000566916871 319332623 /nfs/dbraw/zinc/33/26/23/319332623.db2.gz CGTZXNUCPVURJL-NSHDSACASA-N -1 0 335.360 2.392 20 5 EEBDRM CC(C)(O)C(C)(C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567391305 319376310 /nfs/dbraw/zinc/37/63/10/319376310.db2.gz ZFUUYZLSVUWGBM-UHFFFAOYSA-N -1 0 330.768 2.481 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000567734543 319413482 /nfs/dbraw/zinc/41/34/82/319413482.db2.gz OKFLTNRYJHBJBU-PRHODGIISA-N -1 0 326.736 2.431 20 5 EEBDRM CC(C)(O)CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000571286054 319741941 /nfs/dbraw/zinc/74/19/41/319741941.db2.gz LASWPIMSYJHXHX-UHFFFAOYSA-N -1 0 328.752 2.329 20 5 EEBDRM Cc1sc([C@H]2CCCN2c2c([N+](=O)[O-])ncn2C)nc1C(=O)[O-] ZINC000573375170 319928967 /nfs/dbraw/zinc/92/89/67/319928967.db2.gz PRGALVNRNDUQLF-MRVPVSSYSA-N -1 0 337.361 2.133 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc(OCC3CC3)nc2)n1 ZINC000577875336 320281846 /nfs/dbraw/zinc/28/18/46/320281846.db2.gz YCXSSAPXZVCRHA-UHFFFAOYSA-N -1 0 344.327 2.484 20 5 EEBDRM COC(=O)COc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000347486732 465051628 /nfs/dbraw/zinc/05/16/28/465051628.db2.gz SIKRHTXEBKDTFV-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM CC(C)Cn1cc([N-]c2ncc([N+](=O)[O-])c(N)n2)c(C(F)F)n1 ZINC000341335126 465117777 /nfs/dbraw/zinc/11/77/77/465117777.db2.gz NBXIUKGVKCKALR-UHFFFAOYSA-N -1 0 327.295 2.501 20 5 EEBDRM CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@H](CC)C1 ZINC000339352875 465219968 /nfs/dbraw/zinc/21/99/68/465219968.db2.gz QXCFUZNRNGPVHS-OCCSQVGLSA-N -1 0 337.376 2.128 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000351710057 465309352 /nfs/dbraw/zinc/30/93/52/465309352.db2.gz NBUVXFCYLWYRPU-UHFFFAOYSA-N -1 0 328.375 2.149 20 5 EEBDRM CO[C@@H](CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])Cc1ccccc1 ZINC000578993342 468293331 /nfs/dbraw/zinc/29/33/31/468293331.db2.gz SZZBGJHMVXXGOE-CYBMUJFWSA-N -1 0 345.355 2.666 20 5 EEBDRM CC(C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nccs1 ZINC000116377158 462757275 /nfs/dbraw/zinc/75/72/75/462757275.db2.gz NVLNCBWUZQHDMW-UHFFFAOYSA-N -1 0 345.377 2.404 20 5 EEBDRM CCCCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000076023309 462788161 /nfs/dbraw/zinc/78/81/61/462788161.db2.gz RTAOINWQDLLVGI-UHFFFAOYSA-N -1 0 349.796 2.216 20 5 EEBDRM COCc1cccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000026547394 463167090 /nfs/dbraw/zinc/16/70/90/463167090.db2.gz RGFADVYQEHPRMW-UHFFFAOYSA-N -1 0 338.341 2.248 20 5 EEBDRM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000053671578 463181687 /nfs/dbraw/zinc/18/16/87/463181687.db2.gz KLNKIEDYXCEHJN-UHFFFAOYSA-N -1 0 342.323 2.394 20 5 EEBDRM COCCNc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000158640343 463245195 /nfs/dbraw/zinc/24/51/95/463245195.db2.gz SLFJPOSDXODTQL-UHFFFAOYSA-N -1 0 345.355 2.289 20 5 EEBDRM Cc1nn(C)c(C)c1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000097114574 463330081 /nfs/dbraw/zinc/33/00/81/463330081.db2.gz ASSVHJNJGNIDAO-UHFFFAOYSA-N -1 0 338.751 2.485 20 5 EEBDRM CCOc1ncccc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055635993 463337843 /nfs/dbraw/zinc/33/78/43/463337843.db2.gz NJCPFVCPOWRNFH-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM COc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000123656925 463359018 /nfs/dbraw/zinc/35/90/18/463359018.db2.gz JCSRFTQMHMIXLF-UHFFFAOYSA-N -1 0 340.332 2.221 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn1 ZINC000160917618 463381887 /nfs/dbraw/zinc/38/18/87/463381887.db2.gz QKHHUXSJYGVCOC-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000146851843 463389549 /nfs/dbraw/zinc/38/95/49/463389549.db2.gz XTRDYMUBUQZTCD-UHFFFAOYSA-N -1 0 341.776 2.430 20 5 EEBDRM Cc1sc(S(=O)(=O)NCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000124235298 463400404 /nfs/dbraw/zinc/40/04/04/463400404.db2.gz HQDGUOGJYSLZJD-UHFFFAOYSA-N -1 0 328.371 2.149 20 5 EEBDRM CN(Cc1ccsc1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000035123692 463431813 /nfs/dbraw/zinc/43/18/13/463431813.db2.gz KZAAPRYGYWPUKJ-UHFFFAOYSA-N -1 0 328.371 2.183 20 5 EEBDRM O=C(Nc1cc(-c2cccnc2)[nH]n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000162807102 463541440 /nfs/dbraw/zinc/54/14/40/463541440.db2.gz OPLINBWXCFQHDO-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000083955277 463568496 /nfs/dbraw/zinc/56/84/96/463568496.db2.gz XIQRRPVJDDXESE-UHFFFAOYSA-N -1 0 348.793 2.463 20 5 EEBDRM C[C@]1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCS1 ZINC000126191204 463614899 /nfs/dbraw/zinc/61/48/99/463614899.db2.gz UBGDFQVBHNNREW-GFCCVEGCSA-N -1 0 334.394 2.298 20 5 EEBDRM Cc1noc(C2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)n1 ZINC000164315315 463620533 /nfs/dbraw/zinc/62/05/33/463620533.db2.gz BNMILVFYQPFKDY-UHFFFAOYSA-N -1 0 332.316 2.012 20 5 EEBDRM O=C(NCCCCNc1ccccn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164537989 463625228 /nfs/dbraw/zinc/62/52/28/463625228.db2.gz KLTFSXNCGIGJFD-UHFFFAOYSA-N -1 0 330.344 2.318 20 5 EEBDRM Cc1cccc2c1N(S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC2 ZINC000194184095 463810481 /nfs/dbraw/zinc/81/04/81/463810481.db2.gz PDBHWOBLAKXJNI-UHFFFAOYSA-N -1 0 334.353 2.360 20 5 EEBDRM CCc1[nH]nc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1[N+](=O)[O-] ZINC000171774649 463923992 /nfs/dbraw/zinc/92/39/92/463923992.db2.gz GXJASKIQTLLRQA-UHFFFAOYSA-N -1 0 336.255 2.003 20 5 EEBDRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000262846590 464049467 /nfs/dbraw/zinc/04/94/67/464049467.db2.gz DIJRXKRVWGPQNL-INIZCTEOSA-N -1 0 337.376 2.037 20 5 EEBDRM CSc1ccc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263321250 464085107 /nfs/dbraw/zinc/08/51/07/464085107.db2.gz JQJPUNUEJDLMPG-ONGXEEELSA-N -1 0 338.385 2.500 20 5 EEBDRM COc1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc([N+](=O)[O-])c1C ZINC000263526201 464124260 /nfs/dbraw/zinc/12/42/60/464124260.db2.gz JYJMANDYSPWYTR-VIFPVBQESA-N -1 0 336.344 2.237 20 5 EEBDRM CNC(=O)c1cnc(/C=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)s1 ZINC000221819318 464124211 /nfs/dbraw/zinc/12/42/11/464124211.db2.gz IYKFEROKEPMSGJ-ARJAWSKDSA-N -1 0 335.341 2.296 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCN(CC(F)(F)F)C1 ZINC000281448778 464458867 /nfs/dbraw/zinc/45/88/67/464458867.db2.gz FOYYFHYHVJFIJJ-QMMMGPOBSA-N -1 0 333.266 2.123 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000285137763 464464297 /nfs/dbraw/zinc/46/42/97/464464297.db2.gz QQPUCPZKNRSROH-UHFFFAOYSA-N -1 0 336.373 2.237 20 5 EEBDRM O=C(Nc1ccc(Cn2cncn2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356387452 465353817 /nfs/dbraw/zinc/35/38/17/465353817.db2.gz MLNMFSDJFLQFRD-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C(NC1CCN(CC(F)(F)F)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356456606 465392390 /nfs/dbraw/zinc/39/23/90/465392390.db2.gz GIXPFYWBAONELK-UHFFFAOYSA-N -1 0 347.293 2.057 20 5 EEBDRM Cc1cccc2c1OC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000366327044 465655921 /nfs/dbraw/zinc/65/59/21/465655921.db2.gz LHSQCMRGWNICOY-ZDUSSCGKSA-N -1 0 328.324 2.342 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s[n-]1 ZINC000338017430 465752087 /nfs/dbraw/zinc/75/20/87/465752087.db2.gz LVTXWRZOGXKWTK-ZCFIWIBFSA-N -1 0 342.764 2.481 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC(C)(C)c2ccccn2)n1 ZINC000580434690 468477207 /nfs/dbraw/zinc/47/72/07/468477207.db2.gz RLAFVFNZTQSXME-UHFFFAOYSA-N -1 0 330.344 2.781 20 5 EEBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000354218605 466388184 /nfs/dbraw/zinc/38/81/84/466388184.db2.gz CTSZQOLLEMUWIX-UHFFFAOYSA-N -1 0 341.320 2.076 20 5 EEBDRM COCc1ccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000350124098 466393713 /nfs/dbraw/zinc/39/37/13/466393713.db2.gz QXURLPCLDSQMNZ-UHFFFAOYSA-N -1 0 344.323 2.369 20 5 EEBDRM COc1cc(CNc2nc3ccc(F)cc3n2C)cc([N+](=O)[O-])c1[O-] ZINC000362092186 466549188 /nfs/dbraw/zinc/54/91/88/466549188.db2.gz BRGMMYNXOBUBKT-UHFFFAOYSA-N -1 0 346.318 2.947 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2O)cc1[N+](=O)[O-] ZINC000321005198 466615330 /nfs/dbraw/zinc/61/53/30/466615330.db2.gz OIBROQGGZIZQPX-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000320966564 466615342 /nfs/dbraw/zinc/61/53/42/466615342.db2.gz NMKLADUCJWVXCG-WDEREUQCSA-N -1 0 344.389 2.153 20 5 EEBDRM CCOC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cn1C ZINC000436791739 467554576 /nfs/dbraw/zinc/55/45/76/467554576.db2.gz TUAORCGULKBRHI-UHFFFAOYSA-N -1 0 333.300 2.068 20 5 EEBDRM CCSc1nnc(NCc2cc(OC)c([O-])c([N+](=O)[O-])c2)s1 ZINC000447953102 467589112 /nfs/dbraw/zinc/58/91/12/467589112.db2.gz JUOZVAJEDWFIGW-UHFFFAOYSA-N -1 0 342.402 2.885 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc(OC(C)C)nc2)n1 ZINC000565776524 468137462 /nfs/dbraw/zinc/13/74/62/468137462.db2.gz KLHDOQMTZDFREX-UHFFFAOYSA-N -1 0 346.343 2.791 20 5 EEBDRM CCOC(=O)CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567738323 468200732 /nfs/dbraw/zinc/20/07/32/468200732.db2.gz IANMEEDCKRWPDS-UHFFFAOYSA-N -1 0 330.724 2.027 20 5 EEBDRM CCc1oc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000549935198 468201762 /nfs/dbraw/zinc/20/17/62/468201762.db2.gz CQMBPMCFSPCVJY-UHFFFAOYSA-N -1 0 348.311 2.257 20 5 EEBDRM CC(C)OC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)C ZINC000594410452 468576180 /nfs/dbraw/zinc/57/61/80/468576180.db2.gz DVKVBDOHXGCBLA-LBPRGKRZSA-N -1 0 338.360 2.397 20 5 EEBDRM C[C@]1(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])COc2ccccc2O1 ZINC000600678115 468618734 /nfs/dbraw/zinc/61/87/34/468618734.db2.gz LYARHIMFRBJOCH-INIZCTEOSA-N -1 0 345.311 2.330 20 5 EEBDRM Cc1cccc2c1C[C@@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])CO2 ZINC000600677693 468618744 /nfs/dbraw/zinc/61/87/44/468618744.db2.gz JJCRAGXHCSTWND-SNVBAGLBSA-N -1 0 329.312 2.412 20 5 EEBDRM C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000592137605 468634450 /nfs/dbraw/zinc/63/44/50/468634450.db2.gz KDAFJTNEUBBEMK-ZJUUUORDSA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000594719412 468663196 /nfs/dbraw/zinc/66/31/96/468663196.db2.gz HQQQVHNXSJUSNE-SECBINFHSA-N -1 0 330.362 2.008 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC([C@H]3CCCCO3)CC2)c1[N+](=O)[O-] ZINC000594734780 468667786 /nfs/dbraw/zinc/66/77/86/468667786.db2.gz FDZHAFNQZHZHDK-CYBMUJFWSA-N -1 0 335.360 2.474 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000600869567 468671599 /nfs/dbraw/zinc/67/15/99/468671599.db2.gz NUDYEOGKQWOIBY-YPMHNXCESA-N -1 0 332.356 2.386 20 5 EEBDRM CCCc1cc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000600875829 468672733 /nfs/dbraw/zinc/67/27/33/468672733.db2.gz OMROWRFSYWTHBC-INIZCTEOSA-N -1 0 346.343 2.000 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(C)(C(=O)[O-])CC1 ZINC000592418896 468693862 /nfs/dbraw/zinc/69/38/62/468693862.db2.gz DALTUYIPMQCNPF-UHFFFAOYSA-N -1 0 336.344 2.381 20 5 EEBDRM CC(C)Cc1nc(=NC(=O)COc2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000598191271 468791317 /nfs/dbraw/zinc/79/13/17/468791317.db2.gz NOFVTYJZOVDYLK-UHFFFAOYSA-N -1 0 336.373 2.084 20 5 EEBDRM C[C@H]1CC[C@@](NC(=O)COc2ccccc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC000595243948 468791851 /nfs/dbraw/zinc/79/18/51/468791851.db2.gz GAEGKOLPSLHAAB-SXUIPJSXSA-N -1 0 336.344 2.123 20 5 EEBDRM COc1nc(C)cc(C)c1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592970978 468831163 /nfs/dbraw/zinc/83/11/63/468831163.db2.gz ZTKVCKCOJSBJMI-UHFFFAOYSA-N -1 0 332.316 2.321 20 5 EEBDRM COc1ccc2c(c1)OCCN(c1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000592979353 468833521 /nfs/dbraw/zinc/83/35/21/468833521.db2.gz YAUBOXBESLFJHO-UHFFFAOYSA-N -1 0 345.311 2.096 20 5 EEBDRM O=C(NC[C@@H]1CCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000598510238 468894059 /nfs/dbraw/zinc/89/40/59/468894059.db2.gz OUJUNOPRHBBSGC-AWEZNQCLSA-N -1 0 341.367 2.305 20 5 EEBDRM CC(C)[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000584612282 468907153 /nfs/dbraw/zinc/90/71/53/468907153.db2.gz QHCXOEAURGAZFH-LBPRGKRZSA-N -1 0 328.752 2.451 20 5 EEBDRM CC1(C)CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000572360314 468921638 /nfs/dbraw/zinc/92/16/38/468921638.db2.gz RKJADVWOCBWYHZ-LBPRGKRZSA-N -1 0 342.373 2.150 20 5 EEBDRM CCc1ccc(C(=O)N2CCSC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000598659345 468949849 /nfs/dbraw/zinc/94/98/49/468949849.db2.gz BTXLMJMNTPWMPO-GFCCVEGCSA-N -1 0 338.385 2.047 20 5 EEBDRM O=C([O-])c1cnc(NCc2ccnc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000572606142 468957226 /nfs/dbraw/zinc/95/72/26/468957226.db2.gz HABZTLOLRQTSAK-UHFFFAOYSA-N -1 0 343.343 2.295 20 5 EEBDRM COc1ccc(CC(=O)Nc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000614539620 468967369 /nfs/dbraw/zinc/96/73/69/468967369.db2.gz WJMDRYKKFLBKDM-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)COCC(F)(F)F)n1 ZINC000572884499 469014508 /nfs/dbraw/zinc/01/45/08/469014508.db2.gz IGPAAPUZUSXZHP-SSDOTTSWSA-N -1 0 337.254 2.376 20 5 EEBDRM O=C([O-])c1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000573213699 469084845 /nfs/dbraw/zinc/08/48/45/469084845.db2.gz OCVUDQYVPHMKCY-UHFFFAOYSA-N -1 0 331.328 2.208 20 5 EEBDRM CCOC(=O)CCN(CC1CC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000610908203 469109076 /nfs/dbraw/zinc/10/90/76/469109076.db2.gz ZVLKBGWFHQIOFD-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCOC[C@@H]1CC(=O)[O-] ZINC000593747358 469122208 /nfs/dbraw/zinc/12/22/08/469122208.db2.gz XFMGACSJWRNGBF-AWEZNQCLSA-N -1 0 338.360 2.058 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)n1 ZINC000563208746 469200371 /nfs/dbraw/zinc/20/03/71/469200371.db2.gz XOMNQTOTHCFXRI-CFVMTHIKSA-N -1 0 339.351 2.994 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2)ccc1[O-] ZINC000612056323 469380089 /nfs/dbraw/zinc/38/00/89/469380089.db2.gz INWTZFFSFGSPQI-CYBMUJFWSA-N -1 0 349.368 2.221 20 5 EEBDRM CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000457354637 535063179 /nfs/dbraw/zinc/06/31/79/535063179.db2.gz OIIRHKQUMQFZNM-UHFFFAOYSA-N -1 0 332.360 2.332 20 5 EEBDRM Cc1c(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cccc1C(=O)[O-] ZINC000738298316 578008516 /nfs/dbraw/zinc/00/85/16/578008516.db2.gz AJWRPJOIIDTANJ-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM C[C@H](OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000737749867 576061196 /nfs/dbraw/zinc/06/11/96/576061196.db2.gz SDVCLMICRUBESK-MNOVXSKESA-N -1 0 336.344 2.461 20 5 EEBDRM O=C(CCc1cccs1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000732621229 577186014 /nfs/dbraw/zinc/18/60/14/577186014.db2.gz JUAPQTAKRQATPD-UHFFFAOYSA-N -1 0 346.411 2.156 20 5 EEBDRM CCOCCO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000773918880 577372953 /nfs/dbraw/zinc/37/29/53/577372953.db2.gz OUZNPBGNDXYTSK-SECBINFHSA-N -1 0 332.740 2.100 20 5 EEBDRM Cc1n[nH]c(C)c1CCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738823475 578027957 /nfs/dbraw/zinc/02/79/57/578027957.db2.gz KXGNSLJYMICULO-UHFFFAOYSA-N -1 0 332.316 2.204 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2ncc(-c3cccs3)o2)c1=O ZINC000740097792 578080722 /nfs/dbraw/zinc/08/07/22/578080722.db2.gz TUOASKMYHCAUMI-UHFFFAOYSA-N -1 0 347.308 2.220 20 5 EEBDRM CC(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n(C)c1 ZINC000736185824 578185112 /nfs/dbraw/zinc/18/51/12/578185112.db2.gz GFGBHVOPHVBDPU-UHFFFAOYSA-N -1 0 331.284 2.086 20 5 EEBDRM CS[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737179868 578242495 /nfs/dbraw/zinc/24/24/95/578242495.db2.gz NRGAOUWCVAILMB-PSASIEDQSA-N -1 0 335.393 2.256 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C(=O)[O-])cc1 ZINC000737963664 578274664 /nfs/dbraw/zinc/27/46/64/578274664.db2.gz ZWNGLNWEQGOIAN-CQSZACIVSA-N -1 0 348.286 2.298 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1SC ZINC000818566576 597223955 /nfs/dbraw/zinc/22/39/55/597223955.db2.gz KHVCHSGENRSYEU-GFCCVEGCSA-N -1 0 342.373 2.164 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000136130052 600029679 /nfs/dbraw/zinc/02/96/79/600029679.db2.gz JTYSGBRCUCLODL-GFCCVEGCSA-N -1 0 335.360 2.110 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000831430788 600946158 /nfs/dbraw/zinc/94/61/58/600946158.db2.gz MFUXRXSODHRFQW-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM C[C@H](CC[S@@](C)=O)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827421863 600998934 /nfs/dbraw/zinc/99/89/34/600998934.db2.gz CAXPWHWZNULERF-XICBMAJESA-N -1 0 326.374 2.262 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCCOc2ccccc2[N+](=O)[O-])C1 ZINC000833186992 601183633 /nfs/dbraw/zinc/18/36/33/601183633.db2.gz HMHJGXVNUGAWDK-VXGBXAGGSA-N -1 0 337.328 2.408 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCCOc2ccccc2[N+](=O)[O-])C1 ZINC000833186991 601183648 /nfs/dbraw/zinc/18/36/48/601183648.db2.gz HMHJGXVNUGAWDK-RYUDHWBXSA-N -1 0 337.328 2.408 20 5 EEBDRM Cc1cc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000013311820 601184741 /nfs/dbraw/zinc/18/47/41/601184741.db2.gz INMWYRTUVFBTIG-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM CCC[C@@H]1C[C@H]1Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000829257437 601378199 /nfs/dbraw/zinc/37/81/99/601378199.db2.gz ZFLXVBXTHCDQGF-OPQQBVKSSA-N -1 0 335.360 2.398 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000828672177 601480797 /nfs/dbraw/zinc/48/07/97/601480797.db2.gz OIARZYBWNPPDED-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM CC[C@@H]1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829133822 601563039 /nfs/dbraw/zinc/56/30/39/601563039.db2.gz FRIAMLSVFKCUKG-WDEREUQCSA-N -1 0 335.360 2.034 20 5 EEBDRM O=C([O-])CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000833245520 601635971 /nfs/dbraw/zinc/63/59/71/601635971.db2.gz KLOCXRBUMNFHLW-UHFFFAOYSA-N -1 0 343.133 2.047 20 5 EEBDRM CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1nc(CC(=O)[O-])cs1 ZINC000830478202 601678028 /nfs/dbraw/zinc/67/80/28/601678028.db2.gz MKATWJMQTCWZKR-UHFFFAOYSA-N -1 0 349.368 2.274 20 5 EEBDRM C[C@H](CS(=O)(=O)Oc1ccc([N+](=O)[O-])c2ccccc12)C(=O)[O-] ZINC000827571678 601804022 /nfs/dbraw/zinc/80/40/22/601804022.db2.gz PAFHFLAJGLRLAH-SECBINFHSA-N -1 0 339.325 2.177 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)COc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000828730921 602125451 /nfs/dbraw/zinc/12/54/51/602125451.db2.gz XELBUJGORRUUGX-PRHODGIISA-N -1 0 344.751 2.243 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)COc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000828730923 602125485 /nfs/dbraw/zinc/12/54/85/602125485.db2.gz XELBUJGORRUUGX-QPUJVOFHSA-N -1 0 344.751 2.243 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCCN2CCOC2=O)cc1Cl ZINC000833307834 604264956 /nfs/dbraw/zinc/26/49/56/604264956.db2.gz QEEXRUHQKBRBEX-UHFFFAOYSA-N -1 0 343.723 2.201 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000833112563 604864633 /nfs/dbraw/zinc/86/46/33/604864633.db2.gz XULMYHPVIWEMMY-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833618279 605191140 /nfs/dbraw/zinc/19/11/40/605191140.db2.gz NCEJAQSBNHJBJU-ZWNOBZJWSA-N -1 0 347.371 2.352 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(Br)n1C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833581340 605235572 /nfs/dbraw/zinc/23/55/72/605235572.db2.gz NBEKJZYOQSDFPU-SSDOTTSWSA-N -1 0 346.137 2.010 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000833638158 605287351 /nfs/dbraw/zinc/28/73/51/605287351.db2.gz LJKBPLFYHMNKLS-KWQFWETISA-N -1 0 330.287 2.302 20 5 EEBDRM Cc1occc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119968206 678264049 /nfs/dbraw/zinc/26/40/49/678264049.db2.gz BNGTWOKNZOPHIF-UHFFFAOYSA-N -1 0 344.732 2.268 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262086124 678362686 /nfs/dbraw/zinc/36/26/86/678362686.db2.gz CSNYHOQJRIMYIL-GHMZBOCLSA-N -1 0 346.261 2.238 20 5 EEBDRM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000080631933 1210995204 /nfs/dbraw/zinc/99/52/04/1210995204.db2.gz ORPOCYDFEAWJND-UHFFFAOYSA-N -1 0 331.737 2.023 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)=C1CCCC1 ZINC000815892778 1278288945 /nfs/dbraw/zinc/28/89/45/1278288945.db2.gz CHRPORGCQXOGTH-UHFFFAOYSA-N -1 0 328.321 2.197 20 5 EEBDRM O=C([N-]OCC1CCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000850717711 1277310787 /nfs/dbraw/zinc/31/07/87/1277310787.db2.gz QIJMHKNMVAQHEX-UHFFFAOYSA-N -1 0 327.724 2.035 20 5 EEBDRM O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001225972937 1301219111 /nfs/dbraw/zinc/21/91/11/1301219111.db2.gz LBAHLLXKKJKXGT-OAHLLOKOSA-N -1 0 345.307 2.393 20 5 EEBDRM CCN(CC)C(=O)[C@H](Oc1nc[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228141214 1302123720 /nfs/dbraw/zinc/12/37/20/1302123720.db2.gz PHZLPNMXJSJPGE-CYBMUJFWSA-N -1 0 346.343 2.079 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(OCC(=O)OC(C)C)c3nc2cc1C ZINC001228687878 1302383449 /nfs/dbraw/zinc/38/34/49/1302383449.db2.gz ZVWMHIJICHDHOA-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM COc1ccc2c(c1)CC[C@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001229379096 1302754175 /nfs/dbraw/zinc/75/41/75/1302754175.db2.gz QFDZSUPIJOBGCT-ZDUSSCGKSA-N -1 0 331.328 2.344 20 5 EEBDRM COC[C@H](C)OC[C@@H](C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231223299 1303689434 /nfs/dbraw/zinc/68/94/34/1303689434.db2.gz FPJVWTWVBCOUCV-DTWKUNHWSA-N -1 0 330.293 2.027 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC001117743025 1306160150 /nfs/dbraw/zinc/16/01/50/1306160150.db2.gz HZUNUWYOEUFNBA-MRXNPFEDSA-N -1 0 335.360 2.209 20 5 EEBDRM COc1ccnc(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)c1F ZINC001247988591 1310810297 /nfs/dbraw/zinc/81/02/97/1310810297.db2.gz YAAUATHQXMXDPN-UHFFFAOYSA-N -1 0 346.274 2.484 20 5 EEBDRM CC(=O)CCCCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001309496804 1331631228 /nfs/dbraw/zinc/63/12/28/1331631228.db2.gz MLISTHKSJYKLLA-UHFFFAOYSA-N -1 0 332.353 2.162 20 5 EEBDRM O=C([O-])CCN1CCC[C@@H](SCc2ccc([N+](=O)[O-])cc2)C1=O ZINC001608726191 1351750031 /nfs/dbraw/zinc/75/00/31/1351750031.db2.gz FQFBONSPWDPTNX-CYBMUJFWSA-N -1 0 338.385 2.294 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC001608774869 1351760439 /nfs/dbraw/zinc/76/04/39/1351760439.db2.gz ZPOBYIDTYPWDNC-QLFBSQMISA-N -1 0 328.324 2.137 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2cccc3ncccc23)c1 ZINC001608863370 1351780813 /nfs/dbraw/zinc/78/08/13/1351780813.db2.gz ZLQJMMCPUQPDNX-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001608908278 1351791962 /nfs/dbraw/zinc/79/19/62/1351791962.db2.gz OUXMAYMHVNKZOB-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM O=C([O-])c1cnc(N2CCCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001608974591 1351806099 /nfs/dbraw/zinc/80/60/99/1351806099.db2.gz CICJFIHUVVYREJ-RYUDHWBXSA-N -1 0 335.360 2.331 20 5 EEBDRM CC(=O)Nc1ccccc1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001609625818 1352044156 /nfs/dbraw/zinc/04/41/56/1352044156.db2.gz DWZNISXQPAQWDH-UHFFFAOYSA-N -1 0 330.300 2.259 20 5 EEBDRM CC(=O)Nc1ccc(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001609624593 1352044182 /nfs/dbraw/zinc/04/41/82/1352044182.db2.gz XMLVPBQWPYTHRX-UHFFFAOYSA-N -1 0 344.327 2.301 20 5 EEBDRM C[C@H](C1CC1)N(C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CC1 ZINC001609724989 1352069532 /nfs/dbraw/zinc/06/95/32/1352069532.db2.gz APKCKKFYDVPDHM-SNVBAGLBSA-N -1 0 348.355 2.461 20 5 EEBDRM CC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001344438296 1337393567 /nfs/dbraw/zinc/39/35/67/1337393567.db2.gz NERUIZODRKWLEV-MFKMUULPSA-N -1 0 326.374 2.226 20 5 EEBDRM CN(C1(C(=O)[O-])CCCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001610106655 1352163275 /nfs/dbraw/zinc/16/32/75/1352163275.db2.gz CVRHDYZWEDCSHL-UHFFFAOYSA-N -1 0 348.402 2.064 20 5 EEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001610141757 1352172414 /nfs/dbraw/zinc/17/24/14/1352172414.db2.gz PRAHONOFJJHNFQ-NSHDSACASA-N -1 0 349.387 2.282 20 5 EEBDRM Cc1c(NC(=O)N(C[C@H](C)O)C(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610421025 1352220035 /nfs/dbraw/zinc/22/00/35/1352220035.db2.gz VADPRDXZMIPKCC-VIFPVBQESA-N -1 0 339.348 2.225 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC001610649277 1352257505 /nfs/dbraw/zinc/25/75/05/1352257505.db2.gz RWLIWDKBEZCERR-PELKAZGASA-N -1 0 339.323 2.079 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])n1 ZINC001610795706 1352276094 /nfs/dbraw/zinc/27/60/94/1352276094.db2.gz NPJWPQUQEWOFFL-UHFFFAOYSA-N -1 0 345.311 2.025 20 5 EEBDRM O=C([O-])c1cccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)c1 ZINC001610844356 1352284416 /nfs/dbraw/zinc/28/44/16/1352284416.db2.gz WHZCGTBJGKHJQZ-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM C[C@@H]1OC(C)(C)N[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001576901055 1344073832 /nfs/dbraw/zinc/07/38/32/1344073832.db2.gz YJPLVDUXQFJOEI-WKEGUHRASA-N -1 0 329.740 2.005 20 5 EEBDRM C[C@H](Cc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592872600 1349720917 /nfs/dbraw/zinc/72/09/17/1349720917.db2.gz KGIDPMGOVNPFIX-SECBINFHSA-N -1 0 344.327 2.088 20 5 EEBDRM Cc1cc(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)c(N)c([N+](=O)[O-])c1 ZINC001600100792 1349971531 /nfs/dbraw/zinc/97/15/31/1349971531.db2.gz QLKIYSSQMPKMEJ-UHFFFAOYSA-N -1 0 330.300 2.139 20 5 EEBDRM Cc1cc(Cl)c(C(=O)OCC(=O)C2(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001600217275 1349995297 /nfs/dbraw/zinc/99/52/97/1349995297.db2.gz ZZNZFFZSXXBAOE-UHFFFAOYSA-N -1 0 341.703 2.147 20 5 EEBDRM Cc1cc(F)cc(C(=O)OCc2ccc(C(=O)[O-])cn2)c1[N+](=O)[O-] ZINC001600228939 1349997340 /nfs/dbraw/zinc/99/73/40/1349997340.db2.gz DFOMAXBSVNIFJJ-UHFFFAOYSA-N -1 0 334.259 2.493 20 5 EEBDRM Cc1cc(N2CC(CO)(c3ccccc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600239185 1349999626 /nfs/dbraw/zinc/99/96/26/1349999626.db2.gz TZMMJTNIEKNCQT-UHFFFAOYSA-N -1 0 342.351 2.352 20 5 EEBDRM Cc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)cc1[N+](=O)[O-] ZINC001600334221 1350022631 /nfs/dbraw/zinc/02/26/31/1350022631.db2.gz BSVWLINLZXQYCA-UHFFFAOYSA-N -1 0 341.323 2.195 20 5 EEBDRM Cc1ccc(OC[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001600469137 1350059119 /nfs/dbraw/zinc/05/91/19/1350059119.db2.gz FLISOZUZOISEGS-GFCCVEGCSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ccc(OC[C@H](O)COc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001600468735 1350059185 /nfs/dbraw/zinc/05/91/85/1350059185.db2.gz ROBWEUKTDQYAEU-CYBMUJFWSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ccc([C@H](C)OC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)cc1[N+](=O)[O-] ZINC001600486358 1350062730 /nfs/dbraw/zinc/06/27/30/1350062730.db2.gz KJIAXJGCUFJZBK-RDBQEKCUSA-N -1 0 337.328 2.386 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001600720692 1350120764 /nfs/dbraw/zinc/12/07/64/1350120764.db2.gz UIZPUMFXJUFEEZ-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1nn(CCC(=O)O[C@H](CC(C)(C)C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC001600788233 1350137375 /nfs/dbraw/zinc/13/73/75/1350137375.db2.gz JPAYDTUCQHKFDS-LLVKDONJSA-N -1 0 341.364 2.231 20 5 EEBDRM Cn1cc2c(n1)CCC[C@@H]2C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001600970695 1350179623 /nfs/dbraw/zinc/17/96/23/1350179623.db2.gz IXMXLEGUOGQTJD-JTQLQIEISA-N -1 0 345.311 2.052 20 5 EEBDRM Cn1nc(C(=O)[O-])cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001601007455 1350188239 /nfs/dbraw/zinc/18/82/39/1350188239.db2.gz ZEBDUXCDUQRTHY-UHFFFAOYSA-N -1 0 346.324 2.494 20 5 EEBDRM Nc1c(C(=O)OCc2cccc(C(=O)[O-])c2)cc(F)cc1[N+](=O)[O-] ZINC001601208412 1350231479 /nfs/dbraw/zinc/23/14/79/1350231479.db2.gz OWAMTAXXVIHJBI-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM O=C([O-])[C@H](c1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001601698585 1350342031 /nfs/dbraw/zinc/34/20/31/1350342031.db2.gz MACQWTBUMBGGBL-ZDUSSCGKSA-N -1 0 339.300 2.334 20 5 EEBDRM O=C([O-])[C@]1(c2ccccc2)CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC001601727589 1350349478 /nfs/dbraw/zinc/34/94/78/1350349478.db2.gz AFFGINDMYWZXKN-MRXNPFEDSA-N -1 0 331.303 2.362 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001601816280 1350371932 /nfs/dbraw/zinc/37/19/32/1350371932.db2.gz MWUYVMNPMCABPH-ZDUSSCGKSA-N -1 0 346.343 2.474 20 5 EEBDRM O=C([O-])COc1ccc(CN2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC001602083031 1350433093 /nfs/dbraw/zinc/43/30/93/1350433093.db2.gz GSNKTOGAQVMGOW-UHFFFAOYSA-N -1 0 330.287 2.289 20 5 EEBDRM O=C([O-])CSCCC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001602098793 1350437379 /nfs/dbraw/zinc/43/73/79/1350437379.db2.gz CTQFPRQAKCRBFW-UHFFFAOYSA-N -1 0 335.341 2.289 20 5 EEBDRM O=C([O-])c1cc(OCc2nccn2CC(F)F)ccc1[N+](=O)[O-] ZINC001602288427 1350486362 /nfs/dbraw/zinc/48/63/62/1350486362.db2.gz ZLYJDUHGOYXYCJ-UHFFFAOYSA-N -1 0 327.243 2.334 20 5 EEBDRM O=C([O-])c1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC001602317525 1350492431 /nfs/dbraw/zinc/49/24/31/1350492431.db2.gz WBVMWBJHXVUKGK-UHFFFAOYSA-N -1 0 348.336 2.258 20 5 EEBDRM O=C([O-])c1ccccc1CCn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC001602467960 1350526610 /nfs/dbraw/zinc/52/66/10/1350526610.db2.gz LJJQXYPURHQSHZ-UHFFFAOYSA-N -1 0 339.307 2.246 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@H](CO)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001602483676 1350529854 /nfs/dbraw/zinc/52/98/54/1350529854.db2.gz OXEUGCLYEBRWSA-SNVBAGLBSA-N -1 0 335.291 2.015 20 5 EEBDRM O=C([O-])c1csc(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])c1 ZINC001602564825 1350548163 /nfs/dbraw/zinc/54/81/63/1350548163.db2.gz LFPPYTWIRADGJA-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001602603232 1350554937 /nfs/dbraw/zinc/55/49/37/1350554937.db2.gz PUIWNPLWMUPAPN-ZDUSSCGKSA-N -1 0 335.243 2.422 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1N(c1cc3c(cc1[N+](=O)[O-])CCC(=O)N3)CC2 ZINC001602647626 1350565233 /nfs/dbraw/zinc/56/52/33/1350565233.db2.gz HWVCGITWOMQILS-PBHICJAKSA-N -1 0 345.355 2.313 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COc2cccc3c2NC(=O)CO3)c1 ZINC001602653602 1350566749 /nfs/dbraw/zinc/56/67/49/1350566749.db2.gz RCQOCPZQXXKESU-UHFFFAOYSA-N -1 0 344.279 2.203 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NC/C=C\C2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604315627 1350913803 /nfs/dbraw/zinc/91/38/03/1350913803.db2.gz ZILJPDGAJPUCGC-ZMWSMAPVSA-N -1 0 333.344 2.176 20 5 EEBDRM C[C@@H]1CCCN(C(=O)CCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001604734762 1350993930 /nfs/dbraw/zinc/99/39/30/1350993930.db2.gz XNJPMPPZUFVVCS-LLVKDONJSA-N -1 0 335.360 2.354 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001604961107 1351040026 /nfs/dbraw/zinc/04/00/26/1351040026.db2.gz UOIUSTAEXJUMPW-LLVKDONJSA-N -1 0 336.344 2.269 20 5 EEBDRM CCc1cccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n1 ZINC001605825960 1351229558 /nfs/dbraw/zinc/22/95/58/1351229558.db2.gz ORSKKNFDNVMUPL-QGZVFWFLSA-N -1 0 343.339 2.282 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001607292191 1351466052 /nfs/dbraw/zinc/46/60/52/1351466052.db2.gz YSXUFFZQFXXURN-HNNXBMFYSA-N -1 0 345.307 2.456 20 5 EEBDRM Cc1c(NCc2nnc3n2CCCC3)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607550564 1351514758 /nfs/dbraw/zinc/51/47/58/1351514758.db2.gz LRBZGEMKZDMVPF-UHFFFAOYSA-N -1 0 331.332 2.141 20 5 EEBDRM Cn1cc(C(C)(C)C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1 ZINC001608106113 1351626536 /nfs/dbraw/zinc/62/65/36/1351626536.db2.gz RTFCZHHVILXXOT-UHFFFAOYSA-N -1 0 347.327 2.048 20 5 EEBDRM COC(OC)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000798145266 1371568873 /nfs/dbraw/zinc/56/88/73/1371568873.db2.gz VXQAFLNUYGLYFZ-OAHLLOKOSA-N -1 0 346.339 2.390 20 5 EEBDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000170939832 1405727705 /nfs/dbraw/zinc/72/77/05/1405727705.db2.gz VKCQOKKSQKKIGI-NSHDSACASA-N -1 0 328.390 2.472 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)ccc1F ZINC000112160791 775424157 /nfs/dbraw/zinc/42/41/57/775424157.db2.gz KASSKVLPTSEICR-UHFFFAOYSA-N -1 0 344.345 2.223 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000818629453 785308576 /nfs/dbraw/zinc/30/85/76/785308576.db2.gz FTSMKRALTRWVPH-AWEZNQCLSA-N -1 0 328.752 2.314 20 5 EEBDRM COC(=O)[C@H]([N-]c1ccc2nsnc2c1[N+](=O)[O-])C(F)(F)F ZINC001171015492 787729965 /nfs/dbraw/zinc/72/99/65/787729965.db2.gz OVFXCXJNTKJCKM-QMMMGPOBSA-N -1 0 336.251 2.115 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@H](C(F)F)C1 ZINC000843878545 788709316 /nfs/dbraw/zinc/70/93/16/788709316.db2.gz DFCWTIBNBHKSII-VIFPVBQESA-N -1 0 336.678 2.060 20 5 EEBDRM CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000843954669 788753464 /nfs/dbraw/zinc/75/34/64/788753464.db2.gz LLAIUDOEQNBKJF-SFHVURJKSA-N -1 0 342.351 2.206 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@]2(O)CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000844209669 788928485 /nfs/dbraw/zinc/92/84/85/788928485.db2.gz YLVZNJXVSDVKJI-KRWDZBQOSA-N -1 0 343.339 2.324 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@@H]2Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211001 788928504 /nfs/dbraw/zinc/92/85/04/788928504.db2.gz DHNFBMDIXUYLIF-LBPRGKRZSA-N -1 0 329.316 2.276 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C1CSC1 ZINC000921867320 797735356 /nfs/dbraw/zinc/73/53/56/797735356.db2.gz RPPQRRDFXXOONF-UHFFFAOYSA-N -1 0 343.213 2.295 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc3c(c2)CNC(=O)C3)cc([N+](=O)[O-])c1 ZINC001176679861 798526023 /nfs/dbraw/zinc/52/60/23/798526023.db2.gz QLTOFSKLHJQHDQ-UHFFFAOYSA-N -1 0 327.296 2.209 20 5 EEBDRM O=C([O-])COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001602076999 971141066 /nfs/dbraw/zinc/14/10/66/971141066.db2.gz IFNFEEGSWQSTMS-UHFFFAOYSA-N -1 0 333.246 2.201 20 5 EEBDRM CC[C@@H](CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001589555228 948786180 /nfs/dbraw/zinc/78/61/80/948786180.db2.gz LZAYDBUGSSYHAR-NSHDSACASA-N -1 0 330.344 2.305 20 5 EEBDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC001602843741 971675890 /nfs/dbraw/zinc/67/58/90/971675890.db2.gz UGMKZVRXBWSIJU-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC001595002237 951145662 /nfs/dbraw/zinc/14/56/62/951145662.db2.gz GCSXCMDFEUUIIG-OCCSQVGLSA-N -1 0 348.355 2.144 20 5 EEBDRM O=C([O-])c1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)nc1 ZINC001595214233 952365353 /nfs/dbraw/zinc/36/53/53/952365353.db2.gz FWSQBYIDEBVYAN-UHFFFAOYSA-N -1 0 326.268 2.329 20 5 EEBDRM O=C([O-])[C@@]1(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC=CCC1 ZINC001594863226 954294873 /nfs/dbraw/zinc/29/48/73/954294873.db2.gz XYNDZOFMCWTOFE-HNNXBMFYSA-N -1 0 340.282 2.300 20 5 EEBDRM O=C([O-])[C@H]1COCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001594958387 954998368 /nfs/dbraw/zinc/99/83/68/954998368.db2.gz GRQFEOPMTBGJIX-CYBMUJFWSA-N -1 0 347.302 2.086 20 5 EEBDRM CC[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001589551553 955219529 /nfs/dbraw/zinc/21/95/29/955219529.db2.gz HMVFNMIERCRFAC-FZMZJTMJSA-N -1 0 332.360 2.118 20 5 EEBDRM O=C([O-])c1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001594702658 956818551 /nfs/dbraw/zinc/81/85/51/956818551.db2.gz WXQLPVAJSSDHKU-UHFFFAOYSA-N -1 0 348.286 2.127 20 5 EEBDRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001594717911 956939734 /nfs/dbraw/zinc/93/97/34/956939734.db2.gz CGIKGZVDHGVBNV-ZDUSSCGKSA-N -1 0 349.730 2.069 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001594294320 957859130 /nfs/dbraw/zinc/85/91/30/957859130.db2.gz FYKWLARUTNXUCO-UHFFFAOYSA-N -1 0 333.304 2.137 20 5 EEBDRM COc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1F ZINC001594051343 957994528 /nfs/dbraw/zinc/99/45/28/957994528.db2.gz LLGKVOCGUCIJOS-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM CC(C)(C)CC[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001588644709 959722543 /nfs/dbraw/zinc/72/25/43/959722543.db2.gz ALKFMMDGJHRDFZ-STQMWFEESA-N -1 0 338.360 2.024 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000236971973 960819821 /nfs/dbraw/zinc/81/98/21/960819821.db2.gz UECGXILUCGEGMZ-IINYFYTJSA-N -1 0 346.343 2.010 20 5 EEBDRM COC(=O)/C=C\c1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001604292594 972913721 /nfs/dbraw/zinc/91/37/21/972913721.db2.gz JKSWUTOFUXMTLS-NGVDDBCYSA-N -1 0 334.328 2.446 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001605309581 973127162 /nfs/dbraw/zinc/12/71/62/973127162.db2.gz CPINMQPVEYPESG-OLZOCXBDSA-N -1 0 344.371 2.331 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001604833812 974075463 /nfs/dbraw/zinc/07/54/63/974075463.db2.gz JQABGQQLOXPUNB-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM CCOc1cc(NC(=O)NCCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC001603860033 974359676 /nfs/dbraw/zinc/35/96/76/974359676.db2.gz FKVIVBVGIHCYNZ-UHFFFAOYSA-N -1 0 325.321 2.370 20 5 EEBDRM CC(C)c1ccc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cc1[N+](=O)[O-] ZINC001591943272 976478534 /nfs/dbraw/zinc/47/85/34/976478534.db2.gz REBKQYSGHITHEP-JQWIXIFHSA-N -1 0 342.298 2.414 20 5 EEBDRM C[C@@H](CC(C)(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001592444037 978100460 /nfs/dbraw/zinc/10/04/60/978100460.db2.gz IMMIIVATKVDOPJ-VIFPVBQESA-N -1 0 344.389 2.396 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000864193180 979851606 /nfs/dbraw/zinc/85/16/06/979851606.db2.gz ZJPUVEYFZFQDOF-UHFFFAOYSA-N -1 0 345.311 2.390 20 5 EEBDRM CCCC[C@@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595631175 981833751 /nfs/dbraw/zinc/83/37/51/981833751.db2.gz GFOLISXQXIFQDN-SNVBAGLBSA-N -1 0 344.389 2.492 20 5 EEBDRM CCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](C)C(=O)[O-] ZINC001595830762 982719160 /nfs/dbraw/zinc/71/91/60/982719160.db2.gz DQRSXTWVAUDYJA-LLVKDONJSA-N -1 0 346.343 2.106 20 5 EEBDRM CCN(C(=O)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001596145431 983501112 /nfs/dbraw/zinc/50/11/12/983501112.db2.gz JVMSROVXIBTTEA-UHFFFAOYSA-N -1 0 344.327 2.153 20 5 EEBDRM CCOC(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])C(C)C)cc([N+](=O)[O-])c1 ZINC001596703420 984888246 /nfs/dbraw/zinc/88/82/46/984888246.db2.gz WOQIUNPUUXTKIN-GFCCVEGCSA-N -1 0 339.300 2.038 20 5 EEBDRM C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC001599929658 985286640 /nfs/dbraw/zinc/28/66/40/985286640.db2.gz DOSUDBWSPLMLOC-UFBFGSQYSA-N -1 0 348.277 2.288 20 5 EEBDRM CC(=O)c1ccc(N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001589289862 986022166 /nfs/dbraw/zinc/02/21/66/986022166.db2.gz DLJBEHFTLQIFEZ-FZMZJTMJSA-N -1 0 336.344 2.479 20 5 EEBDRM CCOc1ccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)nc1 ZINC001597100793 986708843 /nfs/dbraw/zinc/70/88/43/986708843.db2.gz HZYHITYUZWFYQJ-QGZVFWFLSA-N -1 0 345.355 2.478 20 5 EEBDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001589521913 987171338 /nfs/dbraw/zinc/17/13/38/987171338.db2.gz XCCLZSBMTKDPNF-QMMMGPOBSA-N -1 0 330.300 2.012 20 5 EEBDRM C[C@@H](CC(=O)[O-])OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001599834822 988725755 /nfs/dbraw/zinc/72/57/55/988725755.db2.gz NIUOUNZTUNRZTM-VIFPVBQESA-N -1 0 333.300 2.015 20 5 EEBDRM CCn1nnc(C)c1CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001597972975 990025600 /nfs/dbraw/zinc/02/56/00/990025600.db2.gz MIQZGYYWINEPQB-UHFFFAOYSA-N -1 0 339.739 2.478 20 5 EEBDRM CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(C)(C)CC(=O)[O-] ZINC001598017765 990195799 /nfs/dbraw/zinc/19/57/99/990195799.db2.gz MUEMPWKWRSCTBF-UHFFFAOYSA-N -1 0 326.324 2.378 20 5 EEBDRM CC(C)[C@]1(C)C[C@@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001591061168 991498085 /nfs/dbraw/zinc/49/80/85/991498085.db2.gz FEFBFJZLHBSBED-BBRMVZONSA-N -1 0 335.360 2.256 20 5 EEBDRM CC(C)[C@]1(C)C[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001591062020 991506015 /nfs/dbraw/zinc/50/60/15/991506015.db2.gz RIEPALYXXVZLSV-JSGCOSHPSA-N -1 0 342.373 2.006 20 5 EEBDRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cccnc1[N+](=O)[O-] ZINC001598524214 992698764 /nfs/dbraw/zinc/69/87/64/992698764.db2.gz RJVJWFBIBIHUKO-UHFFFAOYSA-N -1 0 331.328 2.085 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NC[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170163 994024938 /nfs/dbraw/zinc/02/49/38/994024938.db2.gz JETLFOCMDABBJI-XDTLVQLUSA-N -1 0 347.371 2.256 20 5 EEBDRM C[C@@](NC(=O)c1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593175877 994050529 /nfs/dbraw/zinc/05/05/29/994050529.db2.gz GEOMBBNDZXULTE-INIZCTEOSA-N -1 0 332.287 2.464 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCC2(CC(=O)[O-])CCCC2)c1 ZINC001599621260 994086774 /nfs/dbraw/zinc/08/67/74/994086774.db2.gz FXAMMIFVVAPIJD-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM COc1cccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1[N+](=O)[O-] ZINC001599641344 994363199 /nfs/dbraw/zinc/36/31/99/994363199.db2.gz YUBVRBFEIFKLFZ-GFCCVEGCSA-N -1 0 342.307 2.432 20 5 EEBDRM COc1cccc(CC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001599664740 994710908 /nfs/dbraw/zinc/71/09/08/994710908.db2.gz FGDZJPVDGRFZPU-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM CC1(C(=O)[O-])CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001593808890 996542097 /nfs/dbraw/zinc/54/20/97/996542097.db2.gz WQNULVZJGMJSPU-UHFFFAOYSA-N -1 0 347.352 2.265 20 5 EEBDRM COc1ccc(C(=O)[O-])c2c1CN(c1ncccc1[N+](=O)[O-])CC2 ZINC001599498448 997062846 /nfs/dbraw/zinc/06/28/46/997062846.db2.gz QBQMKVDCNAGPEE-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM COc1cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)c([N+](=O)[O-])cc1F ZINC001599408161 997367781 /nfs/dbraw/zinc/36/77/81/997367781.db2.gz KUXYCURCVZQPCI-NXEZZACHSA-N -1 0 326.324 2.428 20 5 EEBDRM COc1cc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC001599413557 997465259 /nfs/dbraw/zinc/46/52/59/997465259.db2.gz QQINKVHFHFUUAC-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM CC1(CS(=O)(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CCC1 ZINC001594039810 997651261 /nfs/dbraw/zinc/65/12/61/997651261.db2.gz UGPHLYWXZYDFPS-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM COc1c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC001599328220 997702026 /nfs/dbraw/zinc/70/20/26/997702026.db2.gz FVLMOCGUZFLMPF-MDZLAQPJSA-N -1 0 348.355 2.319 20 5 EEBDRM COCCC[C@H](C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599226062 997761123 /nfs/dbraw/zinc/76/11/23/997761123.db2.gz YEORLVFLNAJMNT-ZBEGNZNMSA-N -1 0 338.360 2.074 20 5 EEBDRM COc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc([N+](=O)[O-])c1C ZINC001599354473 998155680 /nfs/dbraw/zinc/15/56/80/998155680.db2.gz DGOGJGBQCLAFKL-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM COc1cc(C(=O)[O-])cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1O ZINC001599361187 998264059 /nfs/dbraw/zinc/26/40/59/998264059.db2.gz AEZDYOKVCXEWLR-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001599378818 998533565 /nfs/dbraw/zinc/53/35/65/998533565.db2.gz QBDWEWYFVGSLOW-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM C[C@@H]1[C@H](C)N(C)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001594177833 998691295 /nfs/dbraw/zinc/69/12/95/998691295.db2.gz ADKVVNPISZIBKP-DTWKUNHWSA-N -1 0 327.768 2.475 20 5 EEBDRM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594446917 999640689 /nfs/dbraw/zinc/64/06/89/999640689.db2.gz DNHBNXBKMCQYJV-RTHLEPHNSA-N -1 0 344.327 2.321 20 5 EEBDRM CN(CC(F)(F)F)c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001519615462 1119093209 /nfs/dbraw/zinc/09/32/09/1119093209.db2.gz YSDUNVQLLDEYGO-UHFFFAOYSA-N -1 0 331.254 2.094 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCCCCC(=O)[O-] ZINC000414621362 529933627 /nfs/dbraw/zinc/93/36/27/529933627.db2.gz FGTCXYZMGHQLRD-UHFFFAOYSA-N -1 0 337.376 2.424 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000192927560 237352336 /nfs/dbraw/zinc/35/23/36/237352336.db2.gz HHELIBHQPHBZOJ-CYBMUJFWSA-N -1 0 327.296 2.127 20 5 EEBDRM CCC[C@@](C)(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000236981391 201149579 /nfs/dbraw/zinc/14/95/79/201149579.db2.gz DAZBIHQDRCEHMP-MRXNPFEDSA-N -1 0 346.343 2.154 20 5 EEBDRM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)[O-] ZINC000237571307 242697765 /nfs/dbraw/zinc/69/77/65/242697765.db2.gz HOGXFXVUBDWJLO-GFCCVEGCSA-N -1 0 349.387 2.378 20 5 EEBDRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000262841204 245206147 /nfs/dbraw/zinc/20/61/47/245206147.db2.gz GYKBOGPWKTUYFE-MRXNPFEDSA-N -1 0 346.343 2.044 20 5 EEBDRM O=C(/C=C/C1CC1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000491908417 246207919 /nfs/dbraw/zinc/20/79/19/246207919.db2.gz LSWXUIRRQWJRSC-ZZXKWVIFSA-N -1 0 330.749 2.019 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000238078740 304186749 /nfs/dbraw/zinc/18/67/49/304186749.db2.gz FPZZTQDAHCYKTN-SNVBAGLBSA-N -1 0 343.133 2.047 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2sc(C)nc2C)cc1[N+](=O)[O-] ZINC000272959325 256252575 /nfs/dbraw/zinc/25/25/75/256252575.db2.gz ZHCQHYDLTMZLIS-UHFFFAOYSA-N -1 0 343.386 2.478 20 5 EEBDRM Cc1ncc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000119586445 221354130 /nfs/dbraw/zinc/35/41/30/221354130.db2.gz HSXSNFPWBZRAFH-UHFFFAOYSA-N -1 0 347.805 2.492 20 5 EEBDRM O=C([O-])CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000143178660 140818892 /nfs/dbraw/zinc/81/88/92/140818892.db2.gz BBYPBEYBVVWALS-UHFFFAOYSA-N -1 0 343.339 2.411 20 5 EEBDRM O=C(NCc1cccc(-n2ccnc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356587943 141021907 /nfs/dbraw/zinc/02/19/07/141021907.db2.gz FZISUSGYZIXKHF-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM Cc1cncc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000120857770 142399422 /nfs/dbraw/zinc/39/94/22/142399422.db2.gz ALZJWTZWFQXICF-UHFFFAOYSA-N -1 0 341.776 2.430 20 5 EEBDRM CC(C)C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000262559268 152291275 /nfs/dbraw/zinc/29/12/75/152291275.db2.gz ZECAVYYDTMDSNQ-GFCCVEGCSA-N -1 0 337.376 2.260 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263078301 152369784 /nfs/dbraw/zinc/36/97/84/152369784.db2.gz BCBUDMPCFZLNNO-CHWSQXEVSA-N -1 0 349.387 2.499 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263364231 286575497 /nfs/dbraw/zinc/57/54/97/286575497.db2.gz SSMQYCZUJNRBQI-GHMZBOCLSA-N -1 0 336.344 2.176 20 5 EEBDRM CNC(=O)c1ccc(NCc2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1 ZINC000195068035 160205502 /nfs/dbraw/zinc/20/55/02/160205502.db2.gz HRXISRDVWFZGIM-UHFFFAOYSA-N -1 0 331.328 2.281 20 5 EEBDRM CC(C)(C(=O)Nc1cc(C(=O)[O-])ccc1F)n1cc([N+](=O)[O-])cn1 ZINC000236722004 160219274 /nfs/dbraw/zinc/21/92/74/160219274.db2.gz VBSZSEKRGUJKKI-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)c2ccnc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000237449547 160222188 /nfs/dbraw/zinc/22/21/88/160222188.db2.gz QVJIBBVTNIBJFF-JTQLQIEISA-N -1 0 329.312 2.487 20 5 EEBDRM O=C(c1ccsc1)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338919045 160812028 /nfs/dbraw/zinc/81/20/28/160812028.db2.gz VSTALDOKTAQGSC-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000345684208 161322557 /nfs/dbraw/zinc/32/25/57/161322557.db2.gz PXFBFAZFDLQMQZ-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C1CC1 ZINC000355474413 163202713 /nfs/dbraw/zinc/20/27/13/163202713.db2.gz SDZXJBXBFBFKTB-VIFPVBQESA-N -1 0 342.373 2.020 20 5 EEBDRM COc1cc[nH]c(=O)c1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000357388074 163693743 /nfs/dbraw/zinc/69/37/43/163693743.db2.gz XJFFJKILHLFLOY-UHFFFAOYSA-N -1 0 339.691 2.315 20 5 EEBDRM Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000279192928 274448436 /nfs/dbraw/zinc/44/84/36/274448436.db2.gz CLIJTYFPVSPNBT-JTQLQIEISA-N -1 0 346.343 2.180 20 5 EEBDRM O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000290844420 275245615 /nfs/dbraw/zinc/24/56/15/275245615.db2.gz HNRCOBKDSNKBKP-YJBOKZPZSA-N -1 0 342.351 2.196 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000291460286 275307455 /nfs/dbraw/zinc/30/74/55/275307455.db2.gz DEDQIPKDZQVEKR-JTQLQIEISA-N -1 0 336.735 2.238 20 5 EEBDRM CO[C@@]1(C)C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1(C)C ZINC000262359437 294164139 /nfs/dbraw/zinc/16/41/39/294164139.db2.gz CUAXQIIOCLTQHA-LRDDRELGSA-N -1 0 336.344 2.226 20 5 EEBDRM Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])CC(C)C)cc1[N+](=O)[O-] ZINC000299376124 294728621 /nfs/dbraw/zinc/72/86/21/294728621.db2.gz SXKWBUICYHOQEB-UHFFFAOYSA-N -1 0 344.389 2.025 20 5 EEBDRM COc1ccc2c(c1)[nH]nc2NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000194799222 295276871 /nfs/dbraw/zinc/27/68/71/295276871.db2.gz PLVWRIGJZFILDS-UHFFFAOYSA-N -1 0 328.284 2.438 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000237653126 300784281 /nfs/dbraw/zinc/78/42/81/300784281.db2.gz SKMBKAYYPZCNOA-KRWDZBQOSA-N -1 0 347.371 2.132 20 5 EEBDRM Cc1cc(N2CCC[C@H]2C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262193263 301338143 /nfs/dbraw/zinc/33/81/43/301338143.db2.gz YZRDFKCDMPGZRE-ZDUSSCGKSA-N -1 0 328.328 2.414 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCCOC1CCCC1 ZINC000127206775 304806491 /nfs/dbraw/zinc/80/64/91/304806491.db2.gz ITTZJFPDLJTOIJ-UHFFFAOYSA-N -1 0 346.380 2.362 20 5 EEBDRM O=C([O-])C[C@H]1CSCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000319870822 311594190 /nfs/dbraw/zinc/59/41/90/311594190.db2.gz TXHDAVNLMYXIOV-ZFDPJTLLSA-N -1 0 336.369 2.027 20 5 EEBDRM C[C@H](CCC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000321331742 311596905 /nfs/dbraw/zinc/59/69/05/311596905.db2.gz PXQRVDNDNUYUAV-MNOVXSKESA-N -1 0 344.389 2.153 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000325992102 311603163 /nfs/dbraw/zinc/60/31/63/311603163.db2.gz DBAXTXVKLOBVNM-ZKLWSEFWSA-N -1 0 330.340 2.320 20 5 EEBDRM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000416593502 313268403 /nfs/dbraw/zinc/26/84/03/313268403.db2.gz LNYJXKSCDZSCRM-LKFCYVNXSA-N -1 0 346.380 2.216 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000422557348 314282086 /nfs/dbraw/zinc/28/20/86/314282086.db2.gz JZBZDWPLGZSYRE-GXSJLCMTSA-N -1 0 332.316 2.192 20 5 EEBDRM COCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCCSC1 ZINC000436808439 315000883 /nfs/dbraw/zinc/00/08/83/315000883.db2.gz LBBPQAVRROJNTI-LLVKDONJSA-N -1 0 340.401 2.285 20 5 EEBDRM CNC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436953928 315015742 /nfs/dbraw/zinc/01/57/42/315015742.db2.gz SQMLXOMZLRUJDC-UHFFFAOYSA-N -1 0 330.300 2.304 20 5 EEBDRM O=C(NCc1cccc2c1OCCCO2)c1cccc([N+](=O)[O-])c1[O-] ZINC000436992562 315020736 /nfs/dbraw/zinc/02/07/36/315020736.db2.gz XBLPJPZERZMMTL-UHFFFAOYSA-N -1 0 344.323 2.392 20 5 EEBDRM Cn1c(=O)[nH]c2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc21 ZINC000443169308 315232257 /nfs/dbraw/zinc/23/22/57/315232257.db2.gz CQAPIUKPTSNZEL-UHFFFAOYSA-N -1 0 328.284 2.145 20 5 EEBDRM O=C(COC[C@H]1CCCO1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000537546168 318018989 /nfs/dbraw/zinc/01/89/89/318018989.db2.gz BIYIAGFXRGMHRG-SECBINFHSA-N -1 0 330.724 2.088 20 5 EEBDRM CCC(CC)CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000548251756 318368204 /nfs/dbraw/zinc/36/82/04/318368204.db2.gz HVLJKICCLVABON-UHFFFAOYSA-N -1 0 330.362 2.471 20 5 EEBDRM Cc1cc(S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000548551495 318395648 /nfs/dbraw/zinc/39/56/48/318395648.db2.gz KUGKXMQVNCEHGZ-NSHDSACASA-N -1 0 344.389 2.084 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000566175616 319256193 /nfs/dbraw/zinc/25/61/93/319256193.db2.gz DFOTVLQAMQFYBN-PELKAZGASA-N -1 0 342.373 2.068 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000574475211 320029071 /nfs/dbraw/zinc/02/90/71/320029071.db2.gz ZFWWNGMZGGZGGE-QMMMGPOBSA-N -1 0 343.311 2.308 20 5 EEBDRM CC(C)Oc1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cn1 ZINC000576826822 320207791 /nfs/dbraw/zinc/20/77/91/320207791.db2.gz WGXMOYHLWSIUMB-UHFFFAOYSA-N -1 0 332.316 2.482 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2C[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000577175289 320238634 /nfs/dbraw/zinc/23/86/34/320238634.db2.gz OARCUJNZYSJJHM-BDAKNGLRSA-N -1 0 342.373 2.020 20 5 EEBDRM COc1cccc2c1C[C@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000580079839 323989479 /nfs/dbraw/zinc/98/94/79/323989479.db2.gz FYCBSIUYWDMFKK-LLVKDONJSA-N -1 0 329.312 2.276 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000580196796 324014138 /nfs/dbraw/zinc/01/41/38/324014138.db2.gz CXBHFQJKBGUMKJ-GXSJLCMTSA-N -1 0 331.328 2.451 20 5 EEBDRM Cc1cc(N2CC[C@@H](c3nccn3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583633495 324702045 /nfs/dbraw/zinc/70/20/45/324702045.db2.gz HRJBQUDWTPYTBB-LLVKDONJSA-N -1 0 330.344 2.329 20 5 EEBDRM Cc1ccc(NCCCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])nc1 ZINC000184845499 465029050 /nfs/dbraw/zinc/02/90/50/465029050.db2.gz KLLPQTPHEUKZFK-UHFFFAOYSA-N -1 0 330.344 2.236 20 5 EEBDRM O=C(C[C@H]1COCCN1Cc1cc([O-])ccc1[N+](=O)[O-])c1ccco1 ZINC000339108277 465086943 /nfs/dbraw/zinc/08/69/43/465086943.db2.gz NWPIHOUXDZUMAZ-ZDUSSCGKSA-N -1 0 346.339 2.367 20 5 EEBDRM O=[N+]([O-])c1ccc(NCCN=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000341346389 465122287 /nfs/dbraw/zinc/12/22/87/465122287.db2.gz PDGDVRNAFVZDGS-UHFFFAOYSA-N -1 0 333.295 2.411 20 5 EEBDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358605102 465216949 /nfs/dbraw/zinc/21/69/49/465216949.db2.gz HLXIUCQSWIEZHW-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000358613265 465222395 /nfs/dbraw/zinc/22/23/95/465222395.db2.gz RKXAQCVVRXAEKO-UHFFFAOYSA-N -1 0 347.302 2.274 20 5 EEBDRM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000153354870 462642052 /nfs/dbraw/zinc/64/20/52/462642052.db2.gz XWSKEUFBIUYJJW-UHFFFAOYSA-N -1 0 348.319 2.152 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000119738316 462925701 /nfs/dbraw/zinc/92/57/01/462925701.db2.gz BDWKTLZXWPUVAH-OAHLLOKOSA-N -1 0 342.351 2.384 20 5 EEBDRM CC1(C)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000568399292 468332220 /nfs/dbraw/zinc/33/22/20/468332220.db2.gz IJYMEXNLZIKRRI-SECBINFHSA-N -1 0 349.265 2.234 20 5 EEBDRM O=C(NC[C@H]1CCC[C@H](O)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568513662 468349588 /nfs/dbraw/zinc/34/95/88/468349588.db2.gz JTTZSHSNOJOLHF-WPRPVWTQSA-N -1 0 328.752 2.235 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000151038016 463467743 /nfs/dbraw/zinc/46/77/43/463467743.db2.gz DDRDWYUSEUSZQA-LBPRGKRZSA-N -1 0 348.277 2.076 20 5 EEBDRM C[S@@](=O)C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000164773678 463632258 /nfs/dbraw/zinc/63/22/58/463632258.db2.gz XVPGWGRNCXAENQ-RZFZLAGVSA-N -1 0 348.380 2.150 20 5 EEBDRM C[C@H](CN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165160016 463640718 /nfs/dbraw/zinc/64/07/18/463640718.db2.gz UIKVTUQELRWSKN-SSDOTTSWSA-N -1 0 345.149 2.150 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCOC2(CCC2)C1 ZINC000268938616 463817806 /nfs/dbraw/zinc/81/78/06/463817806.db2.gz ASVAAIPSMNKELS-SNVBAGLBSA-N -1 0 344.364 2.114 20 5 EEBDRM CC(=O)Nc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000178462578 463905291 /nfs/dbraw/zinc/90/52/91/463905291.db2.gz ZQFAPMBUZDGPRD-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM COCCCN(Cc1ccncc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269283777 463940947 /nfs/dbraw/zinc/94/09/47/463940947.db2.gz MMQXLAIXPPPEMA-UHFFFAOYSA-N -1 0 345.355 2.374 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nnc(CC(C)C)o1 ZINC000194858797 463944974 /nfs/dbraw/zinc/94/49/74/463944974.db2.gz XLFCAAKXUSQMQY-UHFFFAOYSA-N -1 0 340.361 2.286 20 5 EEBDRM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000172182080 464010914 /nfs/dbraw/zinc/01/09/14/464010914.db2.gz ACNVCTYOMGONPL-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM C/C=C/C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000263288519 464078220 /nfs/dbraw/zinc/07/82/20/464078220.db2.gz QHINWSXZHJJWCJ-QAVQXKDTSA-N -1 0 326.736 2.326 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263494864 464116878 /nfs/dbraw/zinc/11/68/78/464116878.db2.gz XPXDZVNRBWPRJV-INIZCTEOSA-N -1 0 333.344 2.248 20 5 EEBDRM Cc1cc(F)c(NC(=O)c2cn(C3CCOCC3)nn2)cc1[N+](=O)[O-] ZINC000292373590 464211803 /nfs/dbraw/zinc/21/18/03/464211803.db2.gz QPSQAPOEFCCJQJ-UHFFFAOYSA-N -1 0 349.322 2.238 20 5 EEBDRM Cc1ccc(CCNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000189963071 464572417 /nfs/dbraw/zinc/57/24/17/464572417.db2.gz JHZFIDBQKWQIRG-UHFFFAOYSA-N -1 0 349.412 2.436 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000191048398 464768940 /nfs/dbraw/zinc/76/89/40/464768940.db2.gz ODYJDMQZGKEOKN-CQSZACIVSA-N -1 0 326.736 2.114 20 5 EEBDRM COC(=O)[C@]12CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000286261906 464859317 /nfs/dbraw/zinc/85/93/17/464859317.db2.gz NUPWPDHIYPLREM-SJKOYZFVSA-N -1 0 348.355 2.106 20 5 EEBDRM O=C(Nc1ccn(Cc2ccncc2)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184507953 464986656 /nfs/dbraw/zinc/98/66/56/464986656.db2.gz AWRUMGZLAVIHDN-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000358796740 465327899 /nfs/dbraw/zinc/32/78/99/465327899.db2.gz FHBFBJZPXKXVTH-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(c2ccncn2)CC1 ZINC000298400427 465385954 /nfs/dbraw/zinc/38/59/54/465385954.db2.gz QKVBFUNNMUYPLA-UHFFFAOYSA-N -1 0 328.328 2.110 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(c2ccncn2)CC1 ZINC000298470544 465404761 /nfs/dbraw/zinc/40/47/61/465404761.db2.gz UDEREGGXWKAFHI-UHFFFAOYSA-N -1 0 328.328 2.110 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000593921909 468435233 /nfs/dbraw/zinc/43/52/33/468435233.db2.gz NWSDLUBJEZRYAR-NOZJJQNGSA-N -1 0 333.344 2.247 20 5 EEBDRM COCCOc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)ccc1OC ZINC000298943898 465547126 /nfs/dbraw/zinc/54/71/26/465547126.db2.gz IRNQIQXBLRFRBJ-UHFFFAOYSA-N -1 0 335.316 2.209 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)Cc2cccc([N+](=O)[O-])c2C)s[n-]1 ZINC000338017998 465752009 /nfs/dbraw/zinc/75/20/09/465752009.db2.gz LMVMFPOZHKVNFB-VIFPVBQESA-N -1 0 336.373 2.065 20 5 EEBDRM O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000357111361 465782130 /nfs/dbraw/zinc/78/21/30/465782130.db2.gz NAODOPWNHAFCRP-UHFFFAOYSA-N -1 0 325.280 2.394 20 5 EEBDRM COc1cc(CNC(=O)c2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000338082320 465805724 /nfs/dbraw/zinc/80/57/24/465805724.db2.gz FEVNVFNXGLXZBS-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCOc2cccc(F)c2C1 ZINC000338239660 465933310 /nfs/dbraw/zinc/93/33/10/465933310.db2.gz JXBMYUSOOBKREL-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C3CCOCC3)C2)n1 ZINC000569461420 468494671 /nfs/dbraw/zinc/49/46/71/468494671.db2.gz ZYUQEELHAMLWEU-LBPRGKRZSA-N -1 0 335.360 2.249 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000347298208 466544859 /nfs/dbraw/zinc/54/48/59/466544859.db2.gz ABRYYAMOUCLTLJ-UHFFFAOYSA-N -1 0 331.712 2.005 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000320859973 466615586 /nfs/dbraw/zinc/61/55/86/466615586.db2.gz CCBOJCZNGUIFMN-GFCCVEGCSA-N -1 0 332.337 2.481 20 5 EEBDRM Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000323529084 466638808 /nfs/dbraw/zinc/63/88/08/466638808.db2.gz KXXOBTQLZPCNGK-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM CC(C)C[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)[O-] ZINC000424372639 467034802 /nfs/dbraw/zinc/03/48/02/467034802.db2.gz IFJHYVNPJWLZJV-NSHDSACASA-N -1 0 334.332 2.804 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cn1 ZINC000427641434 467170211 /nfs/dbraw/zinc/17/02/11/467170211.db2.gz HGMNSPWLCZUFQY-UHFFFAOYSA-N -1 0 345.283 2.392 20 5 EEBDRM CC(C)(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC(=O)[O-] ZINC000390865809 467416221 /nfs/dbraw/zinc/41/62/21/467416221.db2.gz DFLRYRZTTMECPV-UHFFFAOYSA-N -1 0 344.389 2.154 20 5 EEBDRM C[S@](=O)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436712786 467551872 /nfs/dbraw/zinc/55/18/72/467551872.db2.gz OVJGGOBIKIKIML-DEOSSOPVSA-N -1 0 348.380 2.109 20 5 EEBDRM Cc1noc2ncc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 ZINC000442333163 467574380 /nfs/dbraw/zinc/57/43/80/467574380.db2.gz KKKZPXHVBNLSEV-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000566297663 468149109 /nfs/dbraw/zinc/14/91/09/468149109.db2.gz PCVWEMMWYWIWEI-UHFFFAOYSA-N -1 0 331.328 2.660 20 5 EEBDRM C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594464193 468596331 /nfs/dbraw/zinc/59/63/31/468596331.db2.gz TXTMCYVEWKJXBK-KGYLQXTDSA-N -1 0 334.372 2.389 20 5 EEBDRM CC(C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000592139017 468634548 /nfs/dbraw/zinc/63/45/48/468634548.db2.gz XQZUOBVBYJQHAZ-VIFPVBQESA-N -1 0 330.362 2.006 20 5 EEBDRM CCCCO[C@H](C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874715 468672789 /nfs/dbraw/zinc/67/27/89/468672789.db2.gz KIUYEFDMYPGYEP-BZNIZROVSA-N -1 0 338.360 2.216 20 5 EEBDRM CCCc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000600875830 468672893 /nfs/dbraw/zinc/67/28/93/468672893.db2.gz OMROWRFSYWTHBC-MRXNPFEDSA-N -1 0 346.343 2.000 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC2(CCOCC2)O1 ZINC000570725061 468683225 /nfs/dbraw/zinc/68/32/25/468683225.db2.gz MIWVFCSGAKEAFB-LLVKDONJSA-N -1 0 336.344 2.067 20 5 EEBDRM COc1ccc(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000583384055 468690250 /nfs/dbraw/zinc/69/02/50/468690250.db2.gz DTKFTHMTDRARLV-UHFFFAOYSA-N -1 0 347.327 2.360 20 5 EEBDRM CC(C)(C)c1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000592467085 468703588 /nfs/dbraw/zinc/70/35/88/468703588.db2.gz IUFWHCNCYRBPKW-UHFFFAOYSA-N -1 0 346.343 2.426 20 5 EEBDRM COCCCN(CCOC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592751451 468775023 /nfs/dbraw/zinc/77/50/23/468775023.db2.gz XWCLGDLMRHKUJY-UHFFFAOYSA-N -1 0 346.767 2.079 20 5 EEBDRM O=C([O-])c1ccnc(N[C@@H]2CCO[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000583937457 468776737 /nfs/dbraw/zinc/77/67/37/468776737.db2.gz NKNINVHKLWKFGG-DGCLKSJQSA-N -1 0 344.327 2.415 20 5 EEBDRM CC(C)Cc1nc(=NC(=O)CNc2ccccc2[N+](=O)[O-])s[n-]1 ZINC000598191269 468790361 /nfs/dbraw/zinc/79/03/61/468790361.db2.gz NKPYHIRFMCCYKE-UHFFFAOYSA-N -1 0 335.389 2.117 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CCOc3ccccc32)n1 ZINC000592970882 468831223 /nfs/dbraw/zinc/83/12/23/468831223.db2.gz KVHDQQXOCVXTLA-NSHDSACASA-N -1 0 343.339 2.975 20 5 EEBDRM Cc1nc(N(C)Cc2ccc(OCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000592981152 468833574 /nfs/dbraw/zinc/83/35/74/468833574.db2.gz HYFZQLIKWPIFFE-UHFFFAOYSA-N -1 0 331.328 2.398 20 5 EEBDRM Cc1noc(C)c1[C@@H](C)CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571925406 468859267 /nfs/dbraw/zinc/85/92/67/468859267.db2.gz ANJUJHMSIYSMOA-ZETCQYMHSA-N -1 0 334.332 2.817 20 5 EEBDRM COc1cc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000584415674 468866954 /nfs/dbraw/zinc/86/69/54/468866954.db2.gz SIFWGSJDANQAPK-GFCCVEGCSA-N -1 0 336.344 2.143 20 5 EEBDRM COCC[C@H](Cc1ccco1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584844153 468949168 /nfs/dbraw/zinc/94/91/68/468949168.db2.gz ZIYASUAQACRIKW-LLVKDONJSA-N -1 0 335.316 2.341 20 5 EEBDRM COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000598659296 468949557 /nfs/dbraw/zinc/94/95/57/468949557.db2.gz AMBNRXCNFHOIOA-NWDGAFQWSA-N -1 0 336.344 2.285 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000598661657 468949642 /nfs/dbraw/zinc/94/96/42/468949642.db2.gz MOKUKAKPELPNNT-IUODEOHRSA-N -1 0 349.387 2.429 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1CO ZINC000598780150 469000635 /nfs/dbraw/zinc/00/06/35/469000635.db2.gz GWIKEUMYSMSJMC-BDAKNGLRSA-N -1 0 328.752 2.044 20 5 EEBDRM CC[C@@H](C)C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000572963653 469031931 /nfs/dbraw/zinc/03/19/31/469031931.db2.gz KRUZUALJZNXSTG-PELKAZGASA-N -1 0 334.332 2.090 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H](C(F)(F)F)O1 ZINC000610882388 469102236 /nfs/dbraw/zinc/10/22/36/469102236.db2.gz WTTMVJZJGZTKFM-GMSGAONNSA-N -1 0 334.250 2.092 20 5 EEBDRM COc1cccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1[N+](=O)[O-] ZINC000593702962 469102326 /nfs/dbraw/zinc/10/23/26/469102326.db2.gz YRBHZMYVCBZLJH-NSHDSACASA-N -1 0 338.360 2.470 20 5 EEBDRM Cc1nn(C)c(C)c1-c1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000601938795 469102876 /nfs/dbraw/zinc/10/28/76/469102876.db2.gz JOMVFVYUFDSQHL-UHFFFAOYSA-N -1 0 327.344 2.395 20 5 EEBDRM CCOC(=O)c1cc(N2C[C@@H](C(=O)[O-])CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000595973244 469103746 /nfs/dbraw/zinc/10/37/46/469103746.db2.gz IKNXTEXOAUQPEE-MNOVXSKESA-N -1 0 336.344 2.461 20 5 EEBDRM CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000596002339 469112780 /nfs/dbraw/zinc/11/27/80/469112780.db2.gz XWROBQBRORENAW-VIFPVBQESA-N -1 0 344.751 2.339 20 5 EEBDRM O=c1[nH]ccc(N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000596084224 469146560 /nfs/dbraw/zinc/14/65/60/469146560.db2.gz YENGMZDSOLFYJJ-BETUJISGSA-N -1 0 326.356 2.268 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](Oc3ccncc3)C2)n1 ZINC000563206318 469198144 /nfs/dbraw/zinc/19/81/44/469198144.db2.gz OYWXGQQZCSKYAH-GFCCVEGCSA-N -1 0 344.327 2.049 20 5 EEBDRM CC(C)(CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1(O)CCOCC1 ZINC000573806020 469210481 /nfs/dbraw/zinc/21/04/81/469210481.db2.gz WKBPBGFKSLRWDG-UHFFFAOYSA-N -1 0 338.360 2.273 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC(c2nc3ccccc3[nH]2)C1 ZINC000611535601 469274327 /nfs/dbraw/zinc/27/43/27/469274327.db2.gz FSRSGRVAZNLPQQ-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM CCC(CC)C(=O)N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000611553953 469277286 /nfs/dbraw/zinc/27/72/86/469277286.db2.gz PRXKXPAKYJQDQW-UHFFFAOYSA-N -1 0 349.387 2.021 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000616331250 469425175 /nfs/dbraw/zinc/42/51/75/469425175.db2.gz QHKIRKJCYHEXKG-NSHDSACASA-N -1 0 344.389 2.084 20 5 EEBDRM CCOc1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000604497987 469483524 /nfs/dbraw/zinc/48/35/24/469483524.db2.gz JMFBMHNOUNUUIN-LBPRGKRZSA-N -1 0 336.344 2.463 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000619468126 469616775 /nfs/dbraw/zinc/61/67/75/469616775.db2.gz YQGCQCUBXZOLHH-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000263552253 536891764 /nfs/dbraw/zinc/89/17/64/536891764.db2.gz XBAHAKZQLGQJJI-JVLSTEMRSA-N -1 0 348.355 2.237 20 5 EEBDRM CSC[C@H](CCO)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000738188039 576719611 /nfs/dbraw/zinc/71/96/11/576719611.db2.gz VMGWNCZVAOEFHQ-TZNOJPMFSA-N -1 0 326.374 2.219 20 5 EEBDRM O=C(Nc1nc(C2CC2)no1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000734875236 577332701 /nfs/dbraw/zinc/33/27/01/577332701.db2.gz VOGDLIAPVABPHJ-UHFFFAOYSA-N -1 0 340.299 2.293 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)ccc1[N+](=O)[O-] ZINC000769673685 577582103 /nfs/dbraw/zinc/58/21/03/577582103.db2.gz RZBOBRGJHURHID-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM Cc1cc(OCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC000758466490 577625425 /nfs/dbraw/zinc/62/54/25/577625425.db2.gz CJUKDMZDYWJWIV-UHFFFAOYSA-N -1 0 327.680 2.268 20 5 EEBDRM C[C@H](CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000762736039 577706748 /nfs/dbraw/zinc/70/67/48/577706748.db2.gz NOAUIYYCZZVNHP-LLVKDONJSA-N -1 0 340.401 2.020 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000764021672 577730020 /nfs/dbraw/zinc/73/00/20/577730020.db2.gz ZHSHXFDBTRTUJN-JTQLQIEISA-N -1 0 326.374 2.087 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000764641660 577740662 /nfs/dbraw/zinc/74/06/62/577740662.db2.gz KTTPDEUTINNEQG-UHFFFAOYSA-N -1 0 344.414 2.176 20 5 EEBDRM Cc1ccc([C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000738559766 578019321 /nfs/dbraw/zinc/01/93/21/578019321.db2.gz GZBDXOSLFADWOC-OAHLLOKOSA-N -1 0 342.351 2.430 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000739139158 578040487 /nfs/dbraw/zinc/04/04/87/578040487.db2.gz XKHSDZCOKFCJBU-VIFPVBQESA-N -1 0 340.382 2.265 20 5 EEBDRM Nc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000739204913 578043884 /nfs/dbraw/zinc/04/38/84/578043884.db2.gz PTWFCDSDCVZUCN-LLVKDONJSA-N -1 0 341.323 2.396 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000739205675 578043916 /nfs/dbraw/zinc/04/39/16/578043916.db2.gz XAQFXHPHPPLDAD-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM O=C([O-])CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000739683613 578064137 /nfs/dbraw/zinc/06/41/37/578064137.db2.gz YKQINOBYRRLBSU-UHFFFAOYSA-N -1 0 347.327 2.097 20 5 EEBDRM O=C([O-])CCc1nc(COc2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000739775713 578067451 /nfs/dbraw/zinc/06/74/51/578067451.db2.gz SEHNYPRCBSSLQP-UHFFFAOYSA-N -1 0 327.680 2.227 20 5 EEBDRM CC(=O)c1[nH]c(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1C ZINC000736179822 578186126 /nfs/dbraw/zinc/18/61/26/578186126.db2.gz MYKGQQYGDDWZGD-UHFFFAOYSA-N -1 0 345.311 2.313 20 5 EEBDRM COC(=O)/C=C/c1ccc(N[C@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000737597018 578266171 /nfs/dbraw/zinc/26/61/71/578266171.db2.gz INLHYQSXZALKFA-PZBABLGHSA-N -1 0 349.343 2.335 20 5 EEBDRM CN(Cc1ccc2c(c1)OCO2)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738003553 578276091 /nfs/dbraw/zinc/27/60/91/578276091.db2.gz CDAPUGROFHPNIX-UHFFFAOYSA-N -1 0 331.284 2.053 20 5 EEBDRM O=C([O-])c1cccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000821392511 598145453 /nfs/dbraw/zinc/14/54/53/598145453.db2.gz TXWPYTDBMLXLLE-UHFFFAOYSA-N -1 0 344.279 2.089 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000833306944 600735609 /nfs/dbraw/zinc/73/56/09/600735609.db2.gz HDNZRXCSSQRDQE-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM CN(CC(=O)Oc1ccc(C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000830701770 600964332 /nfs/dbraw/zinc/96/43/32/600964332.db2.gz CIULQOKCXZKXES-UHFFFAOYSA-N -1 0 330.296 2.335 20 5 EEBDRM CCc1noc([C@@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000830344426 601064920 /nfs/dbraw/zinc/06/49/20/601064920.db2.gz TYTGIFYLVZZJAG-SSDOTTSWSA-N -1 0 335.272 2.156 20 5 EEBDRM Cc1cc(NCCNC(=O)c2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896748 601545186 /nfs/dbraw/zinc/54/51/86/601545186.db2.gz GCZAGJPAMMSDCW-UHFFFAOYSA-N -1 0 343.339 2.443 20 5 EEBDRM CC[C@@H]1CCC[C@@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000829118541 601688498 /nfs/dbraw/zinc/68/84/98/601688498.db2.gz JEEUZUHTZYPWOE-PWSUYJOCSA-N -1 0 335.360 2.400 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000832342121 601847527 /nfs/dbraw/zinc/84/75/27/601847527.db2.gz SPJMKFABMDHSEO-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000830427821 604102858 /nfs/dbraw/zinc/10/28/58/604102858.db2.gz NPVZGNMRUCBCJQ-UHFFFAOYSA-N -1 0 336.348 2.476 20 5 EEBDRM CSC[C@](C)(O)CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832753702 604267300 /nfs/dbraw/zinc/26/73/00/604267300.db2.gz PRDGHWBHMGCTHH-GFCCVEGCSA-N -1 0 334.781 2.472 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000830398993 604631189 /nfs/dbraw/zinc/63/11/89/604631189.db2.gz ZNWUHGQLKCHTFL-UHFFFAOYSA-N -1 0 326.692 2.312 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000833623782 604876755 /nfs/dbraw/zinc/87/67/55/604876755.db2.gz QVQRPPPDDHRMPL-HQJQHLMTSA-N -1 0 346.261 2.406 20 5 EEBDRM CC(C)Cn1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC000833494323 605077113 /nfs/dbraw/zinc/07/71/13/605077113.db2.gz NGEPWMFCVRAHCX-UHFFFAOYSA-N -1 0 332.316 2.398 20 5 EEBDRM COC(=O)c1cc(NC(=O)CC(C)(C)CC(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833712876 605108793 /nfs/dbraw/zinc/10/87/93/605108793.db2.gz JPNSTFFEKJOJHD-UHFFFAOYSA-N -1 0 338.316 2.211 20 5 EEBDRM CC(C)(C)n1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000120219665 674779371 /nfs/dbraw/zinc/77/93/71/674779371.db2.gz LQIHIXGAMVJJON-UHFFFAOYSA-N -1 0 330.391 2.409 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cs1 ZINC000120301384 674878676 /nfs/dbraw/zinc/87/86/76/674878676.db2.gz RYVGLNXFDUPDOC-UHFFFAOYSA-N -1 0 326.355 2.487 20 5 EEBDRM O=C(N[C@@H]1CCc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436661313 694444351 /nfs/dbraw/zinc/44/43/51/694444351.db2.gz FBZSXZDAGHBEBQ-GFCCVEGCSA-N -1 0 328.324 2.424 20 5 EEBDRM Cc1ncsc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000104745381 693050361 /nfs/dbraw/zinc/05/03/61/693050361.db2.gz WGUZGTCVAHCEIM-UHFFFAOYSA-N -1 0 347.805 2.492 20 5 EEBDRM CN(C)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000128217856 693256219 /nfs/dbraw/zinc/25/62/19/693256219.db2.gz DALZUFYMQPATFM-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM CCCn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000125066645 1198924252 /nfs/dbraw/zinc/92/42/52/1198924252.db2.gz NHVOLXJLFPZENN-UHFFFAOYSA-N -1 0 340.361 2.011 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000119665045 1229576411 /nfs/dbraw/zinc/57/64/11/1229576411.db2.gz HUJJLBSHAIPELI-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000800446813 1234142445 /nfs/dbraw/zinc/14/24/45/1234142445.db2.gz QTLYTYGWKBKHCW-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850889735 1277382311 /nfs/dbraw/zinc/38/23/11/1277382311.db2.gz YFCAFPKEPKUWRT-VHSXEESVSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C2CC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000851086460 1277466686 /nfs/dbraw/zinc/46/66/86/1277466686.db2.gz BOTLVMBKHMBCCB-UHFFFAOYSA-N -1 0 338.385 2.039 20 5 EEBDRM O=C([O-])CC[C@@H](O)C(=O)OCc1ccc([N+](=O)[O-])c2ccccc12 ZINC001224204322 1300485347 /nfs/dbraw/zinc/48/53/47/1300485347.db2.gz QJMHFGMORRKCKA-CQSZACIVSA-N -1 0 333.296 2.017 20 5 EEBDRM CCN(CC)C(=O)[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccccc1 ZINC001226331752 1301361063 /nfs/dbraw/zinc/36/10/63/1301361063.db2.gz ONSCPPQESHVNLS-CYBMUJFWSA-N -1 0 346.343 2.079 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1n[n-]c(=O)c(Cl)c1Cl ZINC001227602118 1301904724 /nfs/dbraw/zinc/90/47/24/1301904724.db2.gz NINWPXXWNKZMOK-YFKPBYRVSA-N -1 0 348.146 2.370 20 5 EEBDRM Cc1ccc(C(=O)c2cc(O)c(OC(=O)[C@H](C)O)c([N+](=O)[O-])c2)cc1 ZINC001227699629 1301932642 /nfs/dbraw/zinc/93/26/42/1301932642.db2.gz INSAGUKGEGSCKJ-JTQLQIEISA-N -1 0 345.307 2.126 20 5 EEBDRM COC(=O)[C@H]1C[C@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1 ZINC001228860303 1302488463 /nfs/dbraw/zinc/48/84/63/1302488463.db2.gz SSXNNXFZZHLXKD-IZLXSQMJSA-N -1 0 336.222 2.045 20 5 EEBDRM Cc1cc(=O)c([N+](=O)[O-])c(OC2CCN(C(=O)OC(C)C)CC2)[n-]1 ZINC001231260768 1303709157 /nfs/dbraw/zinc/70/91/57/1303709157.db2.gz WWQYWVPBJADBQM-UHFFFAOYSA-N -1 0 339.348 2.392 20 5 EEBDRM CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C ZINC001123227360 1310493878 /nfs/dbraw/zinc/49/38/78/1310493878.db2.gz STFLGSJOVKJWOD-NSHDSACASA-N -1 0 347.375 2.101 20 5 EEBDRM COc1cc(-c2noc(C([O-])=Cc3ccccc3[N+](=O)[O-])n2)ccn1 ZINC001248978894 1310979249 /nfs/dbraw/zinc/97/92/49/1310979249.db2.gz ABPAKCQRBFLVSA-UHFFFAOYSA-N -1 0 340.295 2.474 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000835028052 1314894294 /nfs/dbraw/zinc/89/42/94/1314894294.db2.gz ITMLVOSEKSSIRJ-WOPDTQHZSA-N -1 0 340.401 2.472 20 5 EEBDRM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000835232094 1314906192 /nfs/dbraw/zinc/90/61/92/1314906192.db2.gz RKXGTAGTSQLARN-YMTOWFKASA-N -1 0 344.364 2.365 20 5 EEBDRM CCC(=O)N1CCCC[C@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837451753 1315083754 /nfs/dbraw/zinc/08/37/54/1315083754.db2.gz XPCQDRJBIPBKJC-AWEZNQCLSA-N -1 0 336.344 2.135 20 5 EEBDRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000840944256 1315442605 /nfs/dbraw/zinc/44/26/05/1315442605.db2.gz ICBMDHJOUUIIQP-TXEJJXNPSA-N -1 0 347.371 2.178 20 5 EEBDRM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001261439867 1322103488 /nfs/dbraw/zinc/10/34/88/1322103488.db2.gz YDHWJVGLZMLHIF-GXFFZTMASA-N -1 0 326.374 2.226 20 5 EEBDRM Nc1c(Cl)cc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC001601209973 1350231694 /nfs/dbraw/zinc/23/16/94/1350231694.db2.gz BZSLYHANLHZULJ-SECBINFHSA-N -1 0 341.751 2.061 20 5 EEBDRM O=C([O-])c1cncnc1NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001602543535 1350542621 /nfs/dbraw/zinc/54/26/21/1350542621.db2.gz UNRLSNGPPWHNNE-UHFFFAOYSA-N -1 0 327.300 2.219 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@@H](CO)c2cccnc2)c([N+](=O)[O-])c1 ZINC001608661273 1351736545 /nfs/dbraw/zinc/73/65/45/1351736545.db2.gz QPFQCGCGHVEVTE-YVZNUBBCSA-N -1 0 329.312 2.233 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NC[C@H](O)c2cncs2)c([N+](=O)[O-])c1 ZINC001608661465 1351736696 /nfs/dbraw/zinc/73/66/96/1351736696.db2.gz XARWPUTVAPHDDQ-QQHVMHFCSA-N -1 0 335.341 2.295 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001608780391 1351761768 /nfs/dbraw/zinc/76/17/68/1351761768.db2.gz HLRJWUKOSSUXCH-CQSZACIVSA-N -1 0 346.339 2.074 20 5 EEBDRM O=C(Nc1cnn(Cc2cccnc2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001318111244 1332473509 /nfs/dbraw/zinc/47/35/09/1332473509.db2.gz JJYNTJOKFZHQBH-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)oc1Cl ZINC001608862945 1351780844 /nfs/dbraw/zinc/78/08/44/1351780844.db2.gz JJDPTNPHTFLYMJ-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM O=C([O-])c1ccccc1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC001608947277 1351801017 /nfs/dbraw/zinc/80/10/17/1351801017.db2.gz BHOJFTOFPFOQLY-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM O=C([O-])c1nn(Cc2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC001609004295 1351812381 /nfs/dbraw/zinc/81/23/81/1351812381.db2.gz AIZXFMTZYACYLX-UHFFFAOYSA-N -1 0 337.242 2.283 20 5 EEBDRM O=Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001609049764 1351823379 /nfs/dbraw/zinc/82/33/79/1351823379.db2.gz LXBHZLKHDNDPQT-UHFFFAOYSA-N -1 0 344.279 2.123 20 5 EEBDRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001323115832 1333389207 /nfs/dbraw/zinc/38/92/07/1333389207.db2.gz VGKSPXWUVVRRNQ-SNVBAGLBSA-N -1 0 328.390 2.472 20 5 EEBDRM CC(C)(C(=O)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O)c1ccccc1 ZINC001609647484 1352049709 /nfs/dbraw/zinc/04/97/09/1352049709.db2.gz PLBXDAVQDJXQSS-UHFFFAOYSA-N -1 0 344.323 2.002 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001609774651 1352082173 /nfs/dbraw/zinc/08/21/73/1352082173.db2.gz VEJDUMRQQNUSBO-VIFPVBQESA-N -1 0 333.300 2.003 20 5 EEBDRM C[C@@H]1[C@H](C)SCCN1c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001338405991 1336856728 /nfs/dbraw/zinc/85/67/28/1336856728.db2.gz FEXKUEOLHMEMOM-ZJUUUORDSA-N -1 0 349.416 2.426 20 5 EEBDRM CSC1CCN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)CC1 ZINC001338837942 1336917484 /nfs/dbraw/zinc/91/74/84/1336917484.db2.gz JOBPKLBKGGRXSA-UHFFFAOYSA-N -1 0 349.416 2.428 20 5 EEBDRM CCCC[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)[O-] ZINC001609965512 1352132149 /nfs/dbraw/zinc/13/21/49/1352132149.db2.gz RUGJCILDORWBJD-SNVBAGLBSA-N -1 0 325.273 2.124 20 5 EEBDRM CO[C@@H]1CCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC001610238956 1352192731 /nfs/dbraw/zinc/19/27/31/1352192731.db2.gz KCEPBQMKCPJRHN-IANUHJRKSA-N -1 0 348.355 2.089 20 5 EEBDRM COc1cc(Cc2noc(C34CC(C(=O)[O-])(C3)C4)n2)ccc1[N+](=O)[O-] ZINC001610299438 1352201897 /nfs/dbraw/zinc/20/18/97/1352201897.db2.gz UWGXYWCMMHPBIC-UHFFFAOYSA-N -1 0 345.311 2.084 20 5 EEBDRM NC(=O)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001610637499 1352256727 /nfs/dbraw/zinc/25/67/27/1352256727.db2.gz QPNWRXXMOVMMFA-UHFFFAOYSA-N -1 0 341.751 2.038 20 5 EEBDRM O=C([O-])[C@]12CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@H]1COCC2 ZINC001610804194 1352277626 /nfs/dbraw/zinc/27/76/26/1352277626.db2.gz VCRVHNXODUCODY-YVEFUNNKSA-N -1 0 343.339 2.071 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@@H](CO)Cc3ccccc32)c1 ZINC001610840379 1352283398 /nfs/dbraw/zinc/28/33/98/1352283398.db2.gz OIKJAVHVAHRSKB-LBPRGKRZSA-N -1 0 342.351 2.464 20 5 EEBDRM O=C([O-])c1cccn2cc(COC(=O)c3ccc([N+](=O)[O-])s3)nc12 ZINC001610879879 1352289658 /nfs/dbraw/zinc/28/96/58/1352289658.db2.gz GGCFUMWDUJDMQI-UHFFFAOYSA-N -1 0 347.308 2.359 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nn[nH]n2)cc1 ZINC001593284058 1349762764 /nfs/dbraw/zinc/76/27/64/1349762764.db2.gz WEROPYDMYYWLRP-UTCJRWHESA-N -1 0 338.283 2.039 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](CCO)C(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600038834 1349959805 /nfs/dbraw/zinc/95/98/05/1349959805.db2.gz GBUBVEJIXIHQEU-NSHDSACASA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2ccn(CC(F)F)n2)n1 ZINC001600106222 1349972180 /nfs/dbraw/zinc/97/21/80/1349972180.db2.gz GIEZHBIRNPEJAP-UHFFFAOYSA-N -1 0 327.247 2.202 20 5 EEBDRM Cc1cc(N[C@H]2CC(=O)N(CC3CC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600279444 1350009440 /nfs/dbraw/zinc/00/94/40/1350009440.db2.gz KTYUTBRCPWKWAB-NSHDSACASA-N -1 0 333.344 2.024 20 5 EEBDRM Cc1cc(NC[C@@H](CO)Cc2cccnc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600279862 1350009691 /nfs/dbraw/zinc/00/96/91/1350009691.db2.gz VVZVZUWEQMDHBC-ZDUSSCGKSA-N -1 0 345.355 2.260 20 5 EEBDRM Cc1ccc2nc(C(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cn2c1 ZINC001600504259 1350068252 /nfs/dbraw/zinc/06/82/52/1350068252.db2.gz WKYBYVUJICDDBE-UHFFFAOYSA-N -1 0 341.279 2.468 20 5 EEBDRM Cc1ccncc1[C@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600603272 1350095556 /nfs/dbraw/zinc/09/55/56/1350095556.db2.gz DUKPWQYWGHEYKX-JTQLQIEISA-N -1 0 329.312 2.487 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)NCc1cccc([N+](=O)[O-])c1)CC2 ZINC001601544368 1350304431 /nfs/dbraw/zinc/30/44/31/1350304431.db2.gz ROKDZGGGNHTUOL-CJNGLKHVSA-N -1 0 333.344 2.134 20 5 EEBDRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1O ZINC001601588771 1350313914 /nfs/dbraw/zinc/31/39/14/1350313914.db2.gz JZSVGENKMYZSGE-UHFFFAOYSA-N -1 0 337.675 2.299 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001601862453 1350384473 /nfs/dbraw/zinc/38/44/73/1350384473.db2.gz IJDVDOUAHFIRDC-UCHJGZGESA-N -1 0 344.367 2.314 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@H]2CCOC23CCOCC3)c([N+](=O)[O-])c1 ZINC001601883923 1350390448 /nfs/dbraw/zinc/39/04/48/1350390448.db2.gz VHMQNSSCOACBJC-HKLWWIALSA-N -1 0 348.355 2.443 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC001601892582 1350391465 /nfs/dbraw/zinc/39/14/65/1350391465.db2.gz XXVBTZGYAPZEOG-SECBINFHSA-N -1 0 325.296 2.356 20 5 EEBDRM O=C([O-])CCC(=O)COC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001601968544 1350407797 /nfs/dbraw/zinc/40/77/97/1350407797.db2.gz ICAFLUGHARJYOM-UHFFFAOYSA-N -1 0 349.217 2.204 20 5 EEBDRM O=C([O-])CCSc1ncccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001602034388 1350422754 /nfs/dbraw/zinc/42/27/54/1350422754.db2.gz MZOVBEUITSSRAJ-UHFFFAOYSA-N -1 0 336.329 2.137 20 5 EEBDRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001602106822 1350439427 /nfs/dbraw/zinc/43/94/27/1350439427.db2.gz CCYNPPLLHGFLQQ-GZMMTYOYSA-N -1 0 325.296 2.499 20 5 EEBDRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001602172198 1350457268 /nfs/dbraw/zinc/45/72/68/1350457268.db2.gz QQDKPCCMRPLRDO-VIFPVBQESA-N -1 0 334.662 2.183 20 5 EEBDRM O=C([O-])c1c(Cl)c(N[C@H](CO)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC001602232527 1350471904 /nfs/dbraw/zinc/47/19/04/1350471904.db2.gz ISTNWLFIBVUEML-WCBMZHEXSA-N -1 0 344.751 2.146 20 5 EEBDRM O=C([O-])c1cc(C(=O)N(Cc2cccnc2)C2CC2)cc([N+](=O)[O-])c1 ZINC001602242330 1350474650 /nfs/dbraw/zinc/47/46/50/1350474650.db2.gz UFMYGIVEJCWDMH-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(c1ncc([N+](=O)[O-])cn1)CC3 ZINC001602406681 1350512332 /nfs/dbraw/zinc/51/23/32/1350512332.db2.gz FPQXGGGVMJSVOH-UHFFFAOYSA-N -1 0 339.311 2.127 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Oc2nc(Cl)nc3[nH]cnc32)c1 ZINC001602409300 1350512801 /nfs/dbraw/zinc/51/28/01/1350512801.db2.gz UBLDPOPDZQZKOX-UHFFFAOYSA-N -1 0 335.663 2.405 20 5 EEBDRM O=C([O-])c1csc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC001602560510 1350546558 /nfs/dbraw/zinc/54/65/58/1350546558.db2.gz IUFZOSGKDVQOET-UHFFFAOYSA-N -1 0 332.293 2.151 20 5 EEBDRM C[C@@H](Sc1ncc([N+](=O)[O-])c(N)n1)c1cccc(-c2nn[nH]n2)c1 ZINC001603725778 1350751490 /nfs/dbraw/zinc/75/14/90/1350751490.db2.gz PLSDMLDIQOGYCM-SSDOTTSWSA-N -1 0 344.360 2.000 20 5 EEBDRM CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)[O-] ZINC001603744426 1350756648 /nfs/dbraw/zinc/75/66/48/1350756648.db2.gz QWXHTADKFJKCRU-ZDUSSCGKSA-N -1 0 333.300 2.047 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c1[N+](=O)[O-] ZINC001603988754 1350822401 /nfs/dbraw/zinc/82/24/01/1350822401.db2.gz YJCKNWWQGLRAPT-UHFFFAOYSA-N -1 0 344.327 2.342 20 5 EEBDRM CC[C@H](C)[C@@H](OC)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604942090 1351035922 /nfs/dbraw/zinc/03/59/22/1351035922.db2.gz DBOREQVLLZJVMK-TVQRCGJNSA-N -1 0 325.317 2.397 20 5 EEBDRM CC[C@@H](C)CN(CC)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001604956612 1351038814 /nfs/dbraw/zinc/03/88/14/1351038814.db2.gz ZITUXPYLIQMCOE-LLVKDONJSA-N -1 0 337.376 2.282 20 5 EEBDRM CCNC(=O)C1(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC001605489460 1351169745 /nfs/dbraw/zinc/16/97/45/1351169745.db2.gz GHLXNGDHURZZRG-FNORWQNLSA-N -1 0 347.371 2.411 20 5 EEBDRM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1-c1nn[nH]n1 ZINC001605823450 1351228907 /nfs/dbraw/zinc/22/89/07/1351228907.db2.gz HXALPONEJIKKKE-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM COC(=O)c1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001606588833 1351328319 /nfs/dbraw/zinc/32/83/19/1351328319.db2.gz GWRUGMLROXTTPJ-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM CON(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@H](C)CC(=O)[O-] ZINC001606987695 1351393460 /nfs/dbraw/zinc/39/34/60/1351393460.db2.gz MLMKQQOFUVWCJA-SNVBAGLBSA-N -1 0 340.332 2.249 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c1 ZINC001607291995 1351466101 /nfs/dbraw/zinc/46/61/01/1351466101.db2.gz QPDRPBHWOBRDIY-YPMHNXCESA-N -1 0 336.344 2.367 20 5 EEBDRM Cc1c(C(=O)[O-])ccc(Cl)c1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001607519043 1351509658 /nfs/dbraw/zinc/50/96/58/1351509658.db2.gz RRIPJNRUPWNHBT-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1c(NC(=O)N2CCOC3(CCC3)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607543147 1351513319 /nfs/dbraw/zinc/51/33/19/1351513319.db2.gz AVUXPASAKPJBMH-UHFFFAOYSA-N -1 0 349.343 2.388 20 5 EEBDRM Cc1ccc(COC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)cc1[N+](=O)[O-] ZINC001607784762 1351558505 /nfs/dbraw/zinc/55/85/05/1351558505.db2.gz GKWUURSQNGVCCL-GXTWGEPZSA-N -1 0 337.328 2.359 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001607826127 1351566005 /nfs/dbraw/zinc/56/60/05/1351566005.db2.gz AHJDFFSZGIELJU-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1cccnc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001607887893 1351579615 /nfs/dbraw/zinc/57/96/15/1351579615.db2.gz XAJWRCKPNPYKMM-MRXNPFEDSA-N -1 0 329.312 2.028 20 5 EEBDRM Cc1ccnc(N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001607895546 1351581191 /nfs/dbraw/zinc/58/11/91/1351581191.db2.gz WKBBMQDXQBTKNL-UONOGXRCSA-N -1 0 343.339 2.308 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(C(=O)[O-])cc1 ZINC001607985554 1351598487 /nfs/dbraw/zinc/59/84/87/1351598487.db2.gz XFSYUAYWXNFTFL-UHFFFAOYSA-N -1 0 344.279 2.036 20 5 EEBDRM Cn1c2ccccc2c(N[C@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])c1=O ZINC001608076462 1351620046 /nfs/dbraw/zinc/62/00/46/1351620046.db2.gz WBLGJDDSDMDMOF-LLVKDONJSA-N -1 0 331.328 2.112 20 5 EEBDRM Nc1c(Cl)cc(C(=O)N2C3CCC2(C(=O)[O-])CC3)cc1[N+](=O)[O-] ZINC001608267742 1351659296 /nfs/dbraw/zinc/65/92/96/1351659296.db2.gz NWAXUZXRXRZUQV-UHFFFAOYSA-N -1 0 339.735 2.052 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC001608360929 1351678414 /nfs/dbraw/zinc/67/84/14/1351678414.db2.gz UBWPIROBWGKEJU-ZDUSSCGKSA-N -1 0 338.316 2.280 20 5 EEBDRM CCC(CC)S(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000797017479 1371495706 /nfs/dbraw/zinc/49/57/06/1371495706.db2.gz AFIKEGJMHCXYSQ-UHFFFAOYSA-N -1 0 328.390 2.080 20 5 EEBDRM Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001121403310 1371877719 /nfs/dbraw/zinc/87/77/19/1371877719.db2.gz DDIHWJAUWPXJFC-LBPRGKRZSA-N -1 0 329.360 2.332 20 5 EEBDRM COCCOc1cncc(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000837711187 1372798863 /nfs/dbraw/zinc/79/88/63/1372798863.db2.gz YRSGFNBEEFGYIY-UHFFFAOYSA-N -1 0 348.311 2.078 20 5 EEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CC1(C)CC1 ZINC000838936956 1372877350 /nfs/dbraw/zinc/87/73/50/1372877350.db2.gz WDPVQIGNKXJHPG-UHFFFAOYSA-N -1 0 341.389 2.022 20 5 EEBDRM CNC(=O)[C@H]1CCC[C@H]1Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606262201 1404777854 /nfs/dbraw/zinc/77/78/54/1404777854.db2.gz RIDXNCWLBHJORO-OIBJUYFYSA-N -1 0 341.751 2.273 20 5 EEBDRM Cc1n[nH]c(C(=O)NCC=CCNc2ccc(C)cc2[N+](=O)[O-])c1[O-] ZINC001107125666 785176544 /nfs/dbraw/zinc/17/65/44/785176544.db2.gz CJSQJPTXFLYTJK-ONEGZZNKSA-N -1 0 345.359 2.038 20 5 EEBDRM Cc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1C(=O)[O-] ZINC000910277112 786605945 /nfs/dbraw/zinc/60/59/45/786605945.db2.gz RKFUJJVRNTXIOM-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM Cn1nccc1[C@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844207456 788926055 /nfs/dbraw/zinc/92/60/55/788926055.db2.gz JCPNSJYSUMBSLW-ZDUSSCGKSA-N -1 0 344.371 2.339 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@@H]2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000844212148 788929536 /nfs/dbraw/zinc/92/95/36/788929536.db2.gz BZOSWFONHUHBLQ-XYBXCPIQSA-N -1 0 348.355 2.443 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCC2(O)CCOCC2)c([N+](=O)[O-])c1 ZINC000844212082 788929699 /nfs/dbraw/zinc/92/96/99/788929699.db2.gz QOOCCTQPMNVBIB-RQOWECAXSA-N -1 0 336.344 2.036 20 5 EEBDRM O=C([O-])c1ccnc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)c1[N+](=O)[O-] ZINC000844214360 788933397 /nfs/dbraw/zinc/93/33/97/788933397.db2.gz FYXJPJBKYIHNSJ-WCABBAIRSA-N -1 0 341.414 2.480 20 5 EEBDRM NC(=O)c1ncc(Cl)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502703 797784148 /nfs/dbraw/zinc/78/41/48/797784148.db2.gz FHMWSDMOGWAZGV-UHFFFAOYSA-N -1 0 336.691 2.184 20 5 EEBDRM COc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C(N)=O)c1 ZINC001176680774 798525770 /nfs/dbraw/zinc/52/57/70/798525770.db2.gz XWAMWBOVQYDPDA-UHFFFAOYSA-N -1 0 331.284 2.144 20 5 EEBDRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001601365736 970981477 /nfs/dbraw/zinc/98/14/77/970981477.db2.gz ZYCGYIMCKIMVRH-AWEZNQCLSA-N -1 0 346.314 2.089 20 5 EEBDRM O=C([O-])Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC001611513931 971089972 /nfs/dbraw/zinc/08/99/72/971089972.db2.gz HIZSDZSZVYSUQM-UHFFFAOYSA-N -1 0 328.078 2.034 20 5 EEBDRM CC[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589575192 948935547 /nfs/dbraw/zinc/93/55/47/948935547.db2.gz DODWLCXHKYMPNR-XVKPBYJWSA-N -1 0 331.708 2.422 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001589343316 954030005 /nfs/dbraw/zinc/03/00/05/954030005.db2.gz DEKNWBCPHWZPSG-JTNHKYCSSA-N -1 0 335.360 2.408 20 5 EEBDRM C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001589375987 954254972 /nfs/dbraw/zinc/25/49/72/954254972.db2.gz QEVCIXSYJUMLFH-MFKMUULPSA-N -1 0 338.335 2.236 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001589196218 956610311 /nfs/dbraw/zinc/61/03/11/956610311.db2.gz NTSFOWFEWSQKDO-ZDUSSCGKSA-N -1 0 330.699 2.324 20 5 EEBDRM C[C@H](CNC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1[N+](=O)[O-] ZINC001603176589 972278628 /nfs/dbraw/zinc/27/86/28/972278628.db2.gz KQOMEQHUMCZWON-LLVKDONJSA-N -1 0 335.360 2.252 20 5 EEBDRM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594310738 958013679 /nfs/dbraw/zinc/01/36/79/958013679.db2.gz KXUSQUZNDWRYMN-NWDGAFQWSA-N -1 0 336.319 2.225 20 5 EEBDRM C[C@H](C(=O)[O-])C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001588580690 959258304 /nfs/dbraw/zinc/25/83/04/959258304.db2.gz TYCVVQWDVKPHNY-ZCFIWIBFSA-N -1 0 332.106 2.121 20 5 EEBDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001594221122 959376411 /nfs/dbraw/zinc/37/64/11/959376411.db2.gz LXDMAYOTKOBCFQ-CLAHSXSESA-N -1 0 326.736 2.317 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H](O)COCc2ccccc2)c([N+](=O)[O-])c1 ZINC000310427607 963408612 /nfs/dbraw/zinc/40/86/12/963408612.db2.gz YHTUAFGTFHOSIF-AWEZNQCLSA-N -1 0 347.323 2.250 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OC(=O)C1(C(=O)[O-])CCSCC1 ZINC001605309940 973130856 /nfs/dbraw/zinc/13/08/56/973130856.db2.gz XORHIKSKWPKKNG-UHFFFAOYSA-N -1 0 325.342 2.407 20 5 EEBDRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001605709211 974138461 /nfs/dbraw/zinc/13/84/61/974138461.db2.gz IHOCMVSHOAIOBY-AWEZNQCLSA-N -1 0 346.314 2.089 20 5 EEBDRM CCOc1cc(NC(=O)N(CC)[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603860010 974360052 /nfs/dbraw/zinc/36/00/52/974360052.db2.gz CPLNWDGDEZGGLL-SECBINFHSA-N -1 0 325.321 2.320 20 5 EEBDRM Nc1ccc([N+](=O)[O-])c(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC000849348598 979498960 /nfs/dbraw/zinc/49/89/60/979498960.db2.gz RTNKSDCOQNPDEL-SFYZADRCSA-N -1 0 333.266 2.266 20 5 EEBDRM C[C@@H](Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1)C(=O)[O-] ZINC001592873773 979737167 /nfs/dbraw/zinc/73/71/67/979737167.db2.gz ZKPWYBVHOCJNIE-VIFPVBQESA-N -1 0 344.327 2.088 20 5 EEBDRM CC[C@@H](O)[C@@H]1CCCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595327357 980546490 /nfs/dbraw/zinc/54/64/90/980546490.db2.gz SPBKYSIIJLMOSW-UONOGXRCSA-N -1 0 336.344 2.059 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001594818673 981961168 /nfs/dbraw/zinc/96/11/68/981961168.db2.gz BVYVODGACDLYMJ-MRXNPFEDSA-N -1 0 336.344 2.317 20 5 EEBDRM CC[C@@H](C)NC(=O)CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001594989067 982838548 /nfs/dbraw/zinc/83/85/48/982838548.db2.gz DXSWKMUAKXXSHB-OKPNEXGHSA-N -1 0 335.360 2.409 20 5 EEBDRM Nc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC001574805862 983277412 /nfs/dbraw/zinc/27/74/12/983277412.db2.gz ACBQANUAOHQWBW-GFCCVEGCSA-N -1 0 344.327 2.167 20 5 EEBDRM CCO[C@@H]1C[C@@]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596837825 985498942 /nfs/dbraw/zinc/49/89/42/985498942.db2.gz KTADUSDQXLJEHH-CZUORRHYSA-N -1 0 338.360 2.048 20 5 EEBDRM CC[C@H](OC(=O)c1cnc(C(=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC001597356339 987506263 /nfs/dbraw/zinc/50/62/63/987506263.db2.gz WUKYZVJDDFACQO-ZDUSSCGKSA-N -1 0 331.284 2.391 20 5 EEBDRM CCc1cc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC001597483407 987986704 /nfs/dbraw/zinc/98/67/04/987986704.db2.gz OTJGCLNBVPKHNK-AOOOYVTPSA-N -1 0 343.339 2.177 20 5 EEBDRM CSc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599821051 988514540 /nfs/dbraw/zinc/51/45/40/988514540.db2.gz XGXOGXWJPWQLPJ-UHFFFAOYSA-N -1 0 336.329 2.001 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001599823132 988549053 /nfs/dbraw/zinc/54/90/53/988549053.db2.gz ZLQTZWAFLBCFJA-VFZGTOFNSA-N -1 0 338.385 2.500 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@](F)(C(=O)[O-])C3)c2c1 ZINC001599637460 994309859 /nfs/dbraw/zinc/30/98/59/994309859.db2.gz CZUDSXWAIRQRDA-OAHLLOKOSA-N -1 0 335.291 2.155 20 5 EEBDRM CNC(=O)COc1cccc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001598646960 994387569 /nfs/dbraw/zinc/38/75/69/994387569.db2.gz HBXBIFJSGXVAKK-UHFFFAOYSA-N -1 0 346.295 2.210 20 5 EEBDRM COC(=O)NCc1ccc(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001598884001 996858406 /nfs/dbraw/zinc/85/84/06/996858406.db2.gz CRQFRAKYIMPZPW-UHFFFAOYSA-N -1 0 346.299 2.288 20 5 EEBDRM COc1cc(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1O ZINC001599402181 997233918 /nfs/dbraw/zinc/23/39/18/997233918.db2.gz WEUCFSAAOMAKCW-UHFFFAOYSA-N -1 0 346.295 2.188 20 5 EEBDRM COc1ccc(CC(=O)OC2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001599549190 997975920 /nfs/dbraw/zinc/97/59/20/997975920.db2.gz GJHJKXCMEPBURJ-UHFFFAOYSA-N -1 0 337.328 2.333 20 5 EEBDRM COc1cc(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC001599352258 998114951 /nfs/dbraw/zinc/11/49/51/998114951.db2.gz OVGQLFCXOVDPMM-FVMDXXJSSA-N -1 0 336.344 2.095 20 5 EEBDRM C[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC[S@]1=O ZINC001594431757 999606743 /nfs/dbraw/zinc/60/67/43/999606743.db2.gz LYEQUVFPDUZESA-QSIZCVBASA-N -1 0 346.792 2.294 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000184887824 283110992 /nfs/dbraw/zinc/11/09/92/283110992.db2.gz VBJHYPJVFWCORQ-UHFFFAOYSA-N -1 0 335.360 2.132 20 5 EEBDRM O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000456299674 244209234 /nfs/dbraw/zinc/20/92/34/244209234.db2.gz FDQIGJIYRCCBKT-BBRMVZONSA-N -1 0 343.339 2.346 20 5 EEBDRM COc1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262829986 245200460 /nfs/dbraw/zinc/20/04/60/245200460.db2.gz QGGADHATRBOIDU-ZBEGNZNMSA-N -1 0 336.344 2.367 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000262967535 245273658 /nfs/dbraw/zinc/27/36/58/245273658.db2.gz LAADDEOVFKZXGW-YFKPBYRVSA-N -1 0 349.112 2.089 20 5 EEBDRM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1ccccc1 ZINC000490919041 245894943 /nfs/dbraw/zinc/89/49/43/245894943.db2.gz HBPDTVSOSIGMQM-KTKRTIGZSA-N -1 0 332.337 2.113 20 5 EEBDRM O=C(/C=C\C1CCCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000493705617 246772072 /nfs/dbraw/zinc/77/20/72/246772072.db2.gz KEWRYUCQRPITKJ-WAYWQWQTSA-N -1 0 330.387 2.208 20 5 EEBDRM COC(=O)Nc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000496166395 247358398 /nfs/dbraw/zinc/35/83/98/247358398.db2.gz CQEKKHYDFXIDLR-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM CC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000195337799 256011262 /nfs/dbraw/zinc/01/12/62/256011262.db2.gz PHAHEKRINFIWQX-SNVBAGLBSA-N -1 0 341.311 2.032 20 5 EEBDRM CCOC(=O)C1CCC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000273253785 256280807 /nfs/dbraw/zinc/28/08/07/256280807.db2.gz BALUVAPVQKCEDZ-UHFFFAOYSA-N -1 0 336.344 2.152 20 5 EEBDRM COC(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCCC1 ZINC000273165085 256271773 /nfs/dbraw/zinc/27/17/73/256271773.db2.gz DAIVBWLNMTWTFI-UHFFFAOYSA-N -1 0 336.344 2.154 20 5 EEBDRM O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273417679 256295086 /nfs/dbraw/zinc/29/50/86/256295086.db2.gz UXAQIIYTXXQKKZ-LBPRGKRZSA-N -1 0 329.312 2.208 20 5 EEBDRM CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273423872 256295719 /nfs/dbraw/zinc/29/57/19/256295719.db2.gz JUHGCXLLORHHRX-UHFFFAOYSA-N -1 0 338.360 2.494 20 5 EEBDRM COc1cc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC000263102560 152374862 /nfs/dbraw/zinc/37/48/62/152374862.db2.gz BBPHOIITHSPUCM-BXKDBHETSA-N -1 0 336.344 2.095 20 5 EEBDRM COc1cc(C(=O)N2CCC(CC(=O)[O-])CC2)cc([N+](=O)[O-])c1C ZINC000263106607 152376331 /nfs/dbraw/zinc/37/63/31/152376331.db2.gz JIZHADPAFIYXFT-UHFFFAOYSA-N -1 0 336.344 2.239 20 5 EEBDRM Cc1cc(F)cc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1[N+](=O)[O-] ZINC000263154290 152390122 /nfs/dbraw/zinc/39/01/22/152390122.db2.gz ZITQKWFJPXUSBM-QMMMGPOBSA-N -1 0 338.213 2.178 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1C(N)=O ZINC000103425839 159277483 /nfs/dbraw/zinc/27/74/83/159277483.db2.gz IQKFQYLSCQYAFG-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000119199086 159374398 /nfs/dbraw/zinc/37/43/98/159374398.db2.gz IPTXRYGUOOSZJY-SMDDNHRTSA-N -1 0 330.344 2.220 20 5 EEBDRM CCc1ncc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000189315971 160139886 /nfs/dbraw/zinc/13/98/86/160139886.db2.gz ORWAMFLRRBIBAE-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c([N+](=O)[O-])n1 ZINC000339691786 160862409 /nfs/dbraw/zinc/86/24/09/160862409.db2.gz PYKDSNFEKZEUPW-UHFFFAOYSA-N -1 0 349.372 2.104 20 5 EEBDRM COCc1cnc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000351106465 161769467 /nfs/dbraw/zinc/76/94/67/161769467.db2.gz HFGIKCBVVBULNC-UHFFFAOYSA-N -1 0 343.386 2.307 20 5 EEBDRM COc1cc(O)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000355807199 163308063 /nfs/dbraw/zinc/30/80/63/163308063.db2.gz AFEYHGCGMPSAMT-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)[nH]c21 ZINC000357327145 163679283 /nfs/dbraw/zinc/67/92/83/163679283.db2.gz CHCLDOLKSQQCCJ-UHFFFAOYSA-N -1 0 348.340 2.286 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C[C@@H](C)C(=O)[O-] ZINC000275179311 269101074 /nfs/dbraw/zinc/10/10/74/269101074.db2.gz KELBKCSYYVWYPC-SNVBAGLBSA-N -1 0 344.389 2.071 20 5 EEBDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000277210844 269143032 /nfs/dbraw/zinc/14/30/32/269143032.db2.gz KHUQFSBNSCSECM-UHFFFAOYSA-N -1 0 337.229 2.130 20 5 EEBDRM CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)(C)C(=O)[O-] ZINC000262386495 288921338 /nfs/dbraw/zinc/92/13/38/288921338.db2.gz DVSGEUVZRWESFP-UHFFFAOYSA-N -1 0 335.360 2.130 20 5 EEBDRM CC(C)(C[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1)C(N)=O ZINC000295586414 293760975 /nfs/dbraw/zinc/76/09/75/293760975.db2.gz GTBOKSDUTYYXLZ-NSHDSACASA-N -1 0 349.387 2.054 20 5 EEBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000237523676 297362612 /nfs/dbraw/zinc/36/26/12/297362612.db2.gz ZXSOIAPRENEULQ-TXEJJXNPSA-N -1 0 349.387 2.234 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000262551175 300191776 /nfs/dbraw/zinc/19/17/76/300191776.db2.gz SKRLSVHDSROBAP-WCBMZHEXSA-N -1 0 326.736 2.431 20 5 EEBDRM Cn1cc([C@@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])cn1 ZINC000331886168 311919061 /nfs/dbraw/zinc/91/90/61/311919061.db2.gz JJCJCBDRVOJGFW-ZDUSSCGKSA-N -1 0 330.344 2.401 20 5 EEBDRM O=C(NCc1ccn(-c2ccccc2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436952282 315015715 /nfs/dbraw/zinc/01/57/15/315015715.db2.gz WFBDNLHJZCZWAD-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccsc2Cl)c([N+](=O)[O-])n1 ZINC000437674517 315046800 /nfs/dbraw/zinc/04/68/00/315046800.db2.gz OFTOPMSWERQYTK-UHFFFAOYSA-N -1 0 336.782 2.327 20 5 EEBDRM COc1ccnc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000089642209 441567136 /nfs/dbraw/zinc/56/71/36/441567136.db2.gz NIHKXNZLJKCTAJ-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CNc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000542782272 318139586 /nfs/dbraw/zinc/13/95/86/318139586.db2.gz FVSZAUPXFCZWQE-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-] ZINC000548224234 318366145 /nfs/dbraw/zinc/36/61/45/318366145.db2.gz VDTYPXOCEYTADA-JTQLQIEISA-N -1 0 344.389 2.215 20 5 EEBDRM Cc1cccc2c1OC[C@@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000566293217 319270281 /nfs/dbraw/zinc/27/02/81/319270281.db2.gz JEWZNOAGONFLFQ-NSHDSACASA-N -1 0 329.312 2.412 20 5 EEBDRM CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@]12CCCO2 ZINC000566296799 319271579 /nfs/dbraw/zinc/27/15/79/319271579.db2.gz HDELZHJAFSDFOJ-SQWLQELKSA-N -1 0 336.344 2.432 20 5 EEBDRM Cc1sc(N2CCOc3ccc([N+](=O)[O-])cc3C2)nc1C(=O)[O-] ZINC000567985812 319441647 /nfs/dbraw/zinc/44/16/47/319441647.db2.gz WZTMHTWIVBBHAL-UHFFFAOYSA-N -1 0 335.341 2.457 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCN(c3nccs3)CC2)c1 ZINC000570215550 319645967 /nfs/dbraw/zinc/64/59/67/319645967.db2.gz JCWBFVNEDOEYAX-UHFFFAOYSA-N -1 0 348.384 2.466 20 5 EEBDRM CC[C@H](C)C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000570572621 319677715 /nfs/dbraw/zinc/67/77/15/319677715.db2.gz BZOFNQHGMDQGEW-WCQYABFASA-N -1 0 337.376 2.402 20 5 EEBDRM Cc1nnc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])n1C1CC1 ZINC000570686111 319688399 /nfs/dbraw/zinc/68/83/99/319688399.db2.gz IYMRBBXDNFOBGM-UHFFFAOYSA-N -1 0 331.332 2.448 20 5 EEBDRM CCC[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000575050720 320082964 /nfs/dbraw/zinc/08/29/64/320082964.db2.gz VEZBXVXXLCMTFM-VIFPVBQESA-N -1 0 330.362 2.102 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(c3ncc[nH]3)CC2)n1 ZINC000575751936 320111096 /nfs/dbraw/zinc/11/10/96/320111096.db2.gz GYTCTOVGSBCUDF-UHFFFAOYSA-N -1 0 331.332 2.104 20 5 EEBDRM CCCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H](CC)C(=O)[O-] ZINC000575978223 320130388 /nfs/dbraw/zinc/13/03/88/320130388.db2.gz VLEALSOFJRUSGQ-ZDUSSCGKSA-N -1 0 337.376 2.422 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000576691622 320195554 /nfs/dbraw/zinc/19/55/54/320195554.db2.gz SZOCRMMCHNWZAD-LLVKDONJSA-N -1 0 337.332 2.463 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCCOc2ccc(C(=O)[O-])cc2)c1 ZINC000578828366 323712521 /nfs/dbraw/zinc/71/25/21/323712521.db2.gz NRDWMVJMAGASEN-UHFFFAOYSA-N -1 0 344.323 2.410 20 5 EEBDRM CC1=C(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000579014546 323759185 /nfs/dbraw/zinc/75/91/85/323759185.db2.gz ZNEHDBCHPNNNDF-UHFFFAOYSA-N -1 0 340.357 2.024 20 5 EEBDRM CC(C)(C)OC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000581885469 324335540 /nfs/dbraw/zinc/33/55/40/324335540.db2.gz BGBLKVHZRIUUJO-UHFFFAOYSA-N -1 0 330.724 2.025 20 5 EEBDRM C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000583145957 324603229 /nfs/dbraw/zinc/60/32/29/324603229.db2.gz DVAQVUBXCCADAH-SCZZXKLOSA-N -1 0 328.752 2.329 20 5 EEBDRM CCOC(=O)c1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[nH]n1 ZINC000543761258 448747713 /nfs/dbraw/zinc/74/77/13/448747713.db2.gz HLFOBPIDWCRWIO-UHFFFAOYSA-N -1 0 343.299 2.228 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000325719429 465029766 /nfs/dbraw/zinc/02/97/66/465029766.db2.gz MZMSBDCCOJFUKC-OAHLLOKOSA-N -1 0 326.308 2.419 20 5 EEBDRM CCN1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])sc2C1 ZINC000130365499 462752390 /nfs/dbraw/zinc/75/23/90/462752390.db2.gz NBKVDGIUILUBKC-UHFFFAOYSA-N -1 0 348.384 2.387 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c([N+](=O)[O-])c1 ZINC000134662772 463067886 /nfs/dbraw/zinc/06/78/86/463067886.db2.gz MWTUUCKJMVRJGD-UHFFFAOYSA-N -1 0 340.332 2.335 20 5 EEBDRM CNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1C ZINC000031982017 463359861 /nfs/dbraw/zinc/35/98/61/463359861.db2.gz JFSQFORMFLXCLS-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM Cc1ccc(S(=O)(=O)NC[C@]2(C)CCCS2)c([N+](=O)[O-])c1 ZINC000126172115 463612044 /nfs/dbraw/zinc/61/20/44/463612044.db2.gz WXDCBPRLJBVOLE-ZDUSSCGKSA-N -1 0 330.431 2.467 20 5 EEBDRM C[C@@H](N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000269296162 463945077 /nfs/dbraw/zinc/94/50/77/463945077.db2.gz RSPIDNIMXSKOEI-SECBINFHSA-N -1 0 347.293 2.009 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000263266899 464073854 /nfs/dbraw/zinc/07/38/54/464073854.db2.gz VOKTXJWXEJIOFM-RYUDHWBXSA-N -1 0 335.360 2.109 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])cc1SC ZINC000263367106 464092809 /nfs/dbraw/zinc/09/28/09/464092809.db2.gz AJEKVEHLTVENCZ-SFYZADRCSA-N -1 0 342.373 2.164 20 5 EEBDRM CN(C)C(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1F ZINC000187799475 464164145 /nfs/dbraw/zinc/16/41/45/464164145.db2.gz CFWMHFZICMIFNI-UHFFFAOYSA-N -1 0 347.302 2.394 20 5 EEBDRM CCC[C@@](C)(NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236979435 464247230 /nfs/dbraw/zinc/24/72/30/464247230.db2.gz UBXMRVRQIYSERK-MRXNPFEDSA-N -1 0 346.343 2.154 20 5 EEBDRM Cc1csc([C@H]2COCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000189023446 464416535 /nfs/dbraw/zinc/41/65/35/464416535.db2.gz DQMRGUTXEILSFO-GFCCVEGCSA-N -1 0 349.368 2.279 20 5 EEBDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000181063047 464439951 /nfs/dbraw/zinc/43/99/51/464439951.db2.gz XUKXKJANOXGSMZ-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000294466093 464508931 /nfs/dbraw/zinc/50/89/31/464508931.db2.gz FCCOWBAJECJGFP-UHFFFAOYSA-N -1 0 347.371 2.180 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000191048387 464768710 /nfs/dbraw/zinc/76/87/10/464768710.db2.gz ODYJDMQZGKEOKN-AWEZNQCLSA-N -1 0 326.736 2.114 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000593922111 468435434 /nfs/dbraw/zinc/43/54/34/468435434.db2.gz JJOJYCMDSQOLHM-VIFPVBQESA-N -1 0 342.373 2.261 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1 ZINC000356803384 465550629 /nfs/dbraw/zinc/55/06/29/465550629.db2.gz MDAMAMRJHMOGHX-ZBEGNZNMSA-N -1 0 330.340 2.022 20 5 EEBDRM Cn1ccnc1-c1csc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000356809131 465552931 /nfs/dbraw/zinc/55/29/31/465552931.db2.gz ZLLMVIJBTBXZGR-UHFFFAOYSA-N -1 0 345.340 2.410 20 5 EEBDRM CCn1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000340036670 465710415 /nfs/dbraw/zinc/71/04/15/465710415.db2.gz AEGHJDDFTJDRMP-UHFFFAOYSA-N -1 0 330.753 2.265 20 5 EEBDRM C[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000362491989 465779064 /nfs/dbraw/zinc/77/90/64/465779064.db2.gz HTBRQBINNOBTII-LLVKDONJSA-N -1 0 344.323 2.490 20 5 EEBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)CCc3ccccc3)c2c1 ZINC000340216523 465888407 /nfs/dbraw/zinc/88/84/07/465888407.db2.gz KDLXRWSBASIQSN-UHFFFAOYSA-N -1 0 346.368 2.456 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000357385178 465993789 /nfs/dbraw/zinc/99/37/89/465993789.db2.gz IQYAMEMBZCDZMT-UHFFFAOYSA-N -1 0 336.251 2.138 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000362814451 466048327 /nfs/dbraw/zinc/04/83/27/466048327.db2.gz PVHMYPXXNBUQTB-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM COc1cc([C@@H]2NC(=O)c3cccc(OC)c3O2)cc([N+](=O)[O-])c1[O-] ZINC000340676358 466256427 /nfs/dbraw/zinc/25/64/27/466256427.db2.gz NARVLTQWECDFFA-MRXNPFEDSA-N -1 0 346.295 2.139 20 5 EEBDRM CC(C)O[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000361810053 466308077 /nfs/dbraw/zinc/30/80/77/466308077.db2.gz USJUBPWGEDAGEC-UONOGXRCSA-N -1 0 342.417 2.465 20 5 EEBDRM O=C(NCCc1nc2ccccc2[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000347129800 466416461 /nfs/dbraw/zinc/41/64/61/466416461.db2.gz YJJBNELOVGMTJC-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM Cc1cn2c(n1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])CCC2 ZINC000370366600 466850486 /nfs/dbraw/zinc/85/04/86/466850486.db2.gz LEIHEWXQWKZFKA-LLVKDONJSA-N -1 0 330.344 2.113 20 5 EEBDRM Cc1cn2c(n1)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])CCC2 ZINC000370924638 467046332 /nfs/dbraw/zinc/04/63/32/467046332.db2.gz OQRXFVLWVCPCHR-LLVKDONJSA-N -1 0 330.344 2.113 20 5 EEBDRM O=C([O-])CCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000431213275 467501819 /nfs/dbraw/zinc/50/18/19/467501819.db2.gz OONUSQKNDUQTRO-UHFFFAOYSA-N -1 0 342.326 2.415 20 5 EEBDRM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000487095854 468022050 /nfs/dbraw/zinc/02/20/50/468022050.db2.gz DMZDVPVZHGSPQL-SNVBAGLBSA-N -1 0 339.348 2.038 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000532711691 468133803 /nfs/dbraw/zinc/13/38/03/468133803.db2.gz HTRNLZOUYVXBPH-LBPRGKRZSA-N -1 0 335.360 2.028 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC000594459572 468595816 /nfs/dbraw/zinc/59/58/16/468595816.db2.gz CKHBYZUZGUOFQT-GFCCVEGCSA-N -1 0 331.328 2.230 20 5 EEBDRM CSC1(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCOCC1 ZINC000570215614 468604954 /nfs/dbraw/zinc/60/49/54/468604954.db2.gz JHQXDPIOFBOEIV-UHFFFAOYSA-N -1 0 327.362 2.012 20 5 EEBDRM C[C@H]1CC[C@@](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)(C(=O)[O-])CC1 ZINC000594683639 468652214 /nfs/dbraw/zinc/65/22/14/468652214.db2.gz BMHHMYWFRWQACS-QASKLWRZSA-N -1 0 349.387 2.470 20 5 EEBDRM CCC(C)(C)[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000594719997 468663621 /nfs/dbraw/zinc/66/36/21/468663621.db2.gz MJBVLBYFXBZUTP-VIFPVBQESA-N -1 0 344.389 2.396 20 5 EEBDRM C[C@@H]1[C@@H](C(F)(F)F)OCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000594733939 468668233 /nfs/dbraw/zinc/66/82/33/468668233.db2.gz KSRBWWGQUVXDQX-PELKAZGASA-N -1 0 348.277 2.445 20 5 EEBDRM COCCC1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000600876208 468673478 /nfs/dbraw/zinc/67/34/78/468673478.db2.gz UQFIVOLMXDSQMA-UHFFFAOYSA-N -1 0 336.344 2.182 20 5 EEBDRM CCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000592468346 468704393 /nfs/dbraw/zinc/70/43/93/468704393.db2.gz RVXIBYXTDKFVJR-ZYHUDNBSSA-N -1 0 336.344 2.176 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000559324674 468737778 /nfs/dbraw/zinc/73/77/78/468737778.db2.gz SGKHOQKLYBAGKB-GFCCVEGCSA-N -1 0 335.360 2.028 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC(OCC(F)F)C1 ZINC000592774018 468781826 /nfs/dbraw/zinc/78/18/26/468781826.db2.gz XUODLVBXZIJAOC-UHFFFAOYSA-N -1 0 336.678 2.060 20 5 EEBDRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595252478 468793463 /nfs/dbraw/zinc/79/34/63/468793463.db2.gz ZVOVJDIVMJUJSD-PBHICJAKSA-N -1 0 345.355 2.378 20 5 EEBDRM COc1ccc2c(c1)OCCN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000592979332 468833344 /nfs/dbraw/zinc/83/33/44/468833344.db2.gz RKOMUHSEBJDUGE-UHFFFAOYSA-N -1 0 345.311 2.096 20 5 EEBDRM CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598478481 468879453 /nfs/dbraw/zinc/87/94/53/468879453.db2.gz GLCXRYJTBSTWNM-CZUORRHYSA-N -1 0 336.344 2.152 20 5 EEBDRM CC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000593309050 468934935 /nfs/dbraw/zinc/93/49/35/468934935.db2.gz QPDDUVXKWPKKFI-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM CCCc1n[nH]c(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1[N+](=O)[O-] ZINC000595999885 469111389 /nfs/dbraw/zinc/11/13/89/469111389.db2.gz NQGVZCUMQNDVTK-JTQLQIEISA-N -1 0 340.380 2.137 20 5 EEBDRM Cn1nccc1[C@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000563215208 469202233 /nfs/dbraw/zinc/20/22/33/469202233.db2.gz ZBRJHACNFXKYLN-IAQYHMDHSA-N -1 0 346.343 2.359 20 5 EEBDRM O=C([O-])CCN(CC1CC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000611463401 469254611 /nfs/dbraw/zinc/25/46/11/469254611.db2.gz GLEWZUFKVMVUHL-UHFFFAOYSA-N -1 0 345.355 2.332 20 5 EEBDRM COc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)ccc1[N+](=O)[O-] ZINC000611463991 469255534 /nfs/dbraw/zinc/25/55/34/469255534.db2.gz NVQYUFOEYHFFNW-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(C)C)n1)C(=O)[O-] ZINC000565315849 469272061 /nfs/dbraw/zinc/27/20/61/469272061.db2.gz ZSRFMJCRFHXWEB-NSHDSACASA-N -1 0 325.365 2.936 20 5 EEBDRM COc1ccc(CC(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000611526632 469272467 /nfs/dbraw/zinc/27/24/67/469272467.db2.gz YCRZHSDKDSZUQU-GFCCVEGCSA-N -1 0 336.344 2.002 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccnn1C ZINC000616021689 469354911 /nfs/dbraw/zinc/35/49/11/469354911.db2.gz CJOUUAHIIJCELF-CYBMUJFWSA-N -1 0 332.360 2.204 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@@H](C)CCCC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598584415 485618553 /nfs/dbraw/zinc/61/85/53/485618553.db2.gz LSZRJXMUTQZWSY-JTQLQIEISA-N -1 0 344.389 2.133 20 5 EEBDRM CCCCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000181877959 528494349 /nfs/dbraw/zinc/49/43/49/528494349.db2.gz CFMDFHFDVZHSMS-UHFFFAOYSA-N -1 0 349.387 2.069 20 5 EEBDRM Cc1c(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000738260474 578006645 /nfs/dbraw/zinc/00/66/45/578006645.db2.gz HZARTQKKXATFMZ-LLVKDONJSA-N -1 0 339.304 2.041 20 5 EEBDRM Cc1nccc([C@@H]2CCCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C2)n1 ZINC000738372159 578011457 /nfs/dbraw/zinc/01/14/57/578011457.db2.gz XXZFKQLTIBBVKF-LLVKDONJSA-N -1 0 343.343 2.170 20 5 EEBDRM CN(CCOc1ccc(F)cc1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738000592 576060642 /nfs/dbraw/zinc/06/06/42/576060642.db2.gz DGCSVRCBKKMHRX-UHFFFAOYSA-N -1 0 335.291 2.342 20 5 EEBDRM CCOC(=O)[C@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000739260037 576203804 /nfs/dbraw/zinc/20/38/04/576203804.db2.gz GDKZWPYMDAWRNQ-ZDUSSCGKSA-N -1 0 332.312 2.254 20 5 EEBDRM Cc1oc(COC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1C(=O)[O-] ZINC000738351803 576337035 /nfs/dbraw/zinc/33/70/35/576337035.db2.gz LEGRXXHPIZAYOI-UHFFFAOYSA-N -1 0 334.284 2.442 20 5 EEBDRM O=C([O-])c1sccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000740289980 576429570 /nfs/dbraw/zinc/42/95/70/576429570.db2.gz PNSCHBQGWUDKKC-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731546639 577106080 /nfs/dbraw/zinc/10/60/80/577106080.db2.gz LVBPKBCKTHGXGO-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM COc1ccc(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000776199261 577454407 /nfs/dbraw/zinc/45/44/07/577454407.db2.gz CTABMOGGVBKHFP-UHFFFAOYSA-N -1 0 347.283 2.398 20 5 EEBDRM Nc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000776593936 577463854 /nfs/dbraw/zinc/46/38/54/577463854.db2.gz XMDVZKADTVABSV-ZDUSSCGKSA-N -1 0 347.302 2.262 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H](O)c1cccc(F)c1 ZINC000777534558 577480752 /nfs/dbraw/zinc/48/07/52/577480752.db2.gz RJJADWJSQRYZRC-XPTSAGLGSA-N -1 0 334.303 2.291 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000767077383 577530319 /nfs/dbraw/zinc/53/03/19/577530319.db2.gz PNFPHFGXNPLINN-RNCFNFMXSA-N -1 0 338.385 2.445 20 5 EEBDRM O=[N+]([O-])c1ccc(Cc2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)nc1 ZINC000770877519 577605234 /nfs/dbraw/zinc/60/52/34/577605234.db2.gz ABZPPNLACKXSCN-UHFFFAOYSA-N -1 0 343.255 2.244 20 5 EEBDRM O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccc([N+](=O)[O-])[n-]1 ZINC000771082966 577609508 /nfs/dbraw/zinc/60/95/08/577609508.db2.gz YMDDVQWQEBUHQB-UHFFFAOYSA-N -1 0 332.247 2.469 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCC(=O)c2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000738673630 578023476 /nfs/dbraw/zinc/02/34/76/578023476.db2.gz SZSYVXZOMDNCJP-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM O=C([O-])COc1cccc(CNc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000739834115 578069367 /nfs/dbraw/zinc/06/93/67/578069367.db2.gz VZICFTRLGACAAG-UHFFFAOYSA-N -1 0 348.340 2.380 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc3nccn3c2)cc([N+](=O)[O-])c1 ZINC000740088455 578080341 /nfs/dbraw/zinc/08/03/41/578080341.db2.gz INXUVPOBMNITQQ-UHFFFAOYSA-N -1 0 326.268 2.193 20 5 EEBDRM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736219268 578187877 /nfs/dbraw/zinc/18/78/77/578187877.db2.gz MQUFNDNJLSBYTF-VXGBXAGGSA-N -1 0 347.371 2.109 20 5 EEBDRM CC(C)[C@@H]1CCCN1c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736656829 578216880 /nfs/dbraw/zinc/21/68/80/578216880.db2.gz MTDKPVPXOGXQNK-AAEUAGOBSA-N -1 0 349.387 2.423 20 5 EEBDRM CCn1nc(C)c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC000737310617 578249713 /nfs/dbraw/zinc/24/97/13/578249713.db2.gz ZKWUSLWGJORTPH-UHFFFAOYSA-N -1 0 332.316 2.379 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CCSC[C@@H](C)C(=O)[O-] ZINC000737905053 578272589 /nfs/dbraw/zinc/27/25/89/578272589.db2.gz DBUSGUPPLSTTET-SECBINFHSA-N -1 0 342.373 2.386 20 5 EEBDRM Cc1c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000820944662 597354294 /nfs/dbraw/zinc/35/42/94/597354294.db2.gz JGMHWLKLUSMKLZ-HNNXBMFYSA-N -1 0 342.351 2.258 20 5 EEBDRM O=C([O-])CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000821525006 598045575 /nfs/dbraw/zinc/04/55/75/598045575.db2.gz KSYRLCSLCZJNKS-UHFFFAOYSA-N -1 0 343.339 2.411 20 5 EEBDRM C/C(=C\COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000825774801 601407126 /nfs/dbraw/zinc/40/71/26/601407126.db2.gz HQYXHUCHPXSGRH-IZZDOVSWSA-N -1 0 334.328 2.383 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000833252364 601411129 /nfs/dbraw/zinc/41/11/29/601411129.db2.gz LOCAWLHCOQUFFI-STQMWFEESA-N -1 0 347.371 2.036 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000828672657 601480555 /nfs/dbraw/zinc/48/05/55/601480555.db2.gz UTEWWNZTTSGEJY-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1ncc(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000833008385 604587674 /nfs/dbraw/zinc/58/76/74/604587674.db2.gz XMVZPHQFSBFYJV-UHFFFAOYSA-N -1 0 335.341 2.030 20 5 EEBDRM C[C@@H]1C[C@@H](CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833598320 604836970 /nfs/dbraw/zinc/83/69/70/604836970.db2.gz VOVSAYNFQFNIRO-BDAKNGLRSA-N -1 0 339.304 2.428 20 5 EEBDRM CC(=O)N1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)[C@H](C)C1 ZINC000833393234 605062075 /nfs/dbraw/zinc/06/20/75/605062075.db2.gz HYAPLFCDDCZDQJ-QMTHXVAHSA-N -1 0 335.360 2.270 20 5 EEBDRM O=C([O-])CCSCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000833774944 605128199 /nfs/dbraw/zinc/12/81/99/605128199.db2.gz ODJVQPLXXJLYRU-UHFFFAOYSA-N -1 0 349.368 2.081 20 5 EEBDRM COC(=O)c1coc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)c1 ZINC000904953346 694496196 /nfs/dbraw/zinc/49/61/96/694496196.db2.gz LPHXMBRZKZIWRU-UHFFFAOYSA-N -1 0 331.240 2.397 20 5 EEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000877774499 1200088020 /nfs/dbraw/zinc/08/80/20/1200088020.db2.gz CPVUVGNVKJYCRE-LLVKDONJSA-N -1 0 337.323 2.299 20 5 EEBDRM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000800150813 1202213610 /nfs/dbraw/zinc/21/36/10/1202213610.db2.gz AQXXMYUYTRFRQK-UHFFFAOYSA-N -1 0 342.304 2.291 20 5 EEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@H](Cc2nccs2)C1 ZINC000890215033 1202225969 /nfs/dbraw/zinc/22/59/69/1202225969.db2.gz OFDPVBOXLSHHJS-SNVBAGLBSA-N -1 0 333.369 2.462 20 5 EEBDRM Cc1cc(C)nc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000802086548 1236858854 /nfs/dbraw/zinc/85/88/54/1236858854.db2.gz XNIFLTYNGLMEAO-UHFFFAOYSA-N -1 0 349.368 2.034 20 5 EEBDRM C[C@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850887802 1277381236 /nfs/dbraw/zinc/38/12/36/1277381236.db2.gz BQJWMGWEBXDQAN-HZAKCSEPSA-N -1 0 342.348 2.285 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000850889186 1277381745 /nfs/dbraw/zinc/38/17/45/1277381745.db2.gz TWIJSXSOSUSMPT-SECBINFHSA-N -1 0 344.364 2.365 20 5 EEBDRM O=c1[n-]cnc(Nc2cc(O)cc([N+](=O)[O-])c2)c1Br ZINC001199819528 1285820180 /nfs/dbraw/zinc/82/01/80/1285820180.db2.gz WTHQTOMFDNWJOJ-UHFFFAOYSA-N -1 0 327.094 2.302 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(OC2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC001226022614 1301235852 /nfs/dbraw/zinc/23/58/52/1301235852.db2.gz YYUMCJOQTWFVOM-RKDXNWHRSA-N -1 0 339.348 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2cccs2)c1[N+](=O)[O-] ZINC001226653473 1301495822 /nfs/dbraw/zinc/49/58/22/1301495822.db2.gz VOMCLPURTMGRFM-LURJTMIESA-N -1 0 325.302 2.079 20 5 EEBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(OC[C@@H]2COc3ccccc3O2)cc1[O-] ZINC001231220064 1303688086 /nfs/dbraw/zinc/68/80/86/1303688086.db2.gz DSTGRMTUEPSFIU-VIFPVBQESA-N -1 0 348.267 2.427 20 5 EEBDRM CCC[C@H](CC(=O)OC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231223868 1303688948 /nfs/dbraw/zinc/68/89/48/1303688948.db2.gz KOJDOGXCSQZYIA-MRVPVSSYSA-N -1 0 328.277 2.319 20 5 EEBDRM O=c1cc(Cl)c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)n[n-]1 ZINC001233591638 1304527637 /nfs/dbraw/zinc/52/76/37/1304527637.db2.gz YTXGFTBQXOQBSG-VIFPVBQESA-N -1 0 336.735 2.402 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000797023320 1304622927 /nfs/dbraw/zinc/62/29/27/1304622927.db2.gz JDWPNTYCIRIREX-NSHDSACASA-N -1 0 342.417 2.328 20 5 EEBDRM CC[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)CCS1 ZINC001121297565 1309972586 /nfs/dbraw/zinc/97/25/86/1309972586.db2.gz CGAYLVOUUMRWLW-NSHDSACASA-N -1 0 349.416 2.428 20 5 EEBDRM CN(C)c1ccc(-c2nnc(-c3cnc([N+](=O)[O-])c([O-])c3)o2)cc1 ZINC001252347563 1317588342 /nfs/dbraw/zinc/58/83/42/1317588342.db2.gz FWRFOUAGPOXPAZ-UHFFFAOYSA-N -1 0 327.300 2.478 20 5 EEBDRM O=C(NC1CCC(O)(C(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001254352397 1318049260 /nfs/dbraw/zinc/04/92/60/1318049260.db2.gz VMZGOYHMGMIVED-UHFFFAOYSA-N -1 0 348.277 2.266 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC001608512444 1351707353 /nfs/dbraw/zinc/70/73/53/1351707353.db2.gz KNOUDDVIDSHQFD-QWHCGFSZSA-N -1 0 327.296 2.430 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H](CC(=O)[O-])C1CC1 ZINC001601006025 1350187801 /nfs/dbraw/zinc/18/78/01/1350187801.db2.gz DNCKHGXHDDNAHI-ZETCQYMHSA-N -1 0 336.270 2.260 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)Cn2cc(C3CC3)cn2)c1 ZINC001601383243 1350271020 /nfs/dbraw/zinc/27/10/20/1350271020.db2.gz CFNFWTXVSBXLKN-UHFFFAOYSA-N -1 0 345.311 2.110 20 5 EEBDRM O=C([O-])C1(N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C2CC2)CCC1 ZINC001602630318 1350561928 /nfs/dbraw/zinc/56/19/28/1350561928.db2.gz FNBWLNGZAHCOLE-UHFFFAOYSA-N -1 0 344.327 2.083 20 5 EEBDRM COc1cccc(CCNc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])c1 ZINC001605317057 1351134505 /nfs/dbraw/zinc/13/45/05/1351134505.db2.gz PXBAXOLNSQSZPL-UHFFFAOYSA-N -1 0 346.372 2.500 20 5 EEBDRM O=C([O-])[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001608397154 1351686513 /nfs/dbraw/zinc/68/65/13/1351686513.db2.gz HEWSPVAPRHXQNQ-NSHDSACASA-N -1 0 344.279 2.360 20 5 EEBDRM O=C([O-])C1([C@@]2(O)CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)CCC1 ZINC001608567856 1351718133 /nfs/dbraw/zinc/71/81/33/1351718133.db2.gz HXEUHYFVGSJPAD-MRXNPFEDSA-N -1 0 338.335 2.320 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001608594494 1351722137 /nfs/dbraw/zinc/72/21/37/1351722137.db2.gz HBZRJNROLLILSM-BTAUDXDXSA-N -1 0 344.367 2.410 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC001608625611 1351728663 /nfs/dbraw/zinc/72/86/63/1351728663.db2.gz YCXUVXJSUQFDAT-NXEZZACHSA-N -1 0 332.312 2.082 20 5 EEBDRM O=C([O-])[C@H]1CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001608639116 1351731422 /nfs/dbraw/zinc/73/14/22/1351731422.db2.gz PYZVJUWTKDEWQE-ZCFIWIBFSA-N -1 0 337.090 2.340 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC001608754491 1351755819 /nfs/dbraw/zinc/75/58/19/1351755819.db2.gz IZNJQPDVZWVDNY-ZDUSSCGKSA-N -1 0 347.371 2.036 20 5 EEBDRM O=C([O-])c1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c[nH]1 ZINC001608834902 1351774363 /nfs/dbraw/zinc/77/43/63/1351774363.db2.gz JPSOFQNJFFVJIG-UHFFFAOYSA-N -1 0 329.312 2.426 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccnn2C2CCC2)cc([N+](=O)[O-])c1 ZINC001608838213 1351775713 /nfs/dbraw/zinc/77/57/13/1351775713.db2.gz YFXCVODITWNRFG-UHFFFAOYSA-N -1 0 330.300 2.467 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCCC1(O)CCOCC1 ZINC001608862839 1351780746 /nfs/dbraw/zinc/78/07/46/1351780746.db2.gz NNEFWMGERWGUHS-UHFFFAOYSA-N -1 0 344.751 2.290 20 5 EEBDRM O=C([O-])c1ccc(Br)c(Cn2nccc2[N+](=O)[O-])c1 ZINC001608870399 1351782471 /nfs/dbraw/zinc/78/24/71/1351782471.db2.gz BDRDENICMGTGCI-UHFFFAOYSA-N -1 0 326.106 2.300 20 5 EEBDRM O=C([O-])c1ccc(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC001608903445 1351791133 /nfs/dbraw/zinc/79/11/33/1351791133.db2.gz KBCMNQYEGNCWHN-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM O=C([O-])c1ccnc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001608951983 1351801946 /nfs/dbraw/zinc/80/19/46/1351801946.db2.gz YSRKUAKOZFQJQS-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC(Nc3ccccn3)CC2)c1[N+](=O)[O-] ZINC001608952868 1351802274 /nfs/dbraw/zinc/80/22/74/1351802274.db2.gz RPEHASULBAGOAW-UHFFFAOYSA-N -1 0 343.343 2.164 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC001608989166 1351809009 /nfs/dbraw/zinc/80/90/09/1351809009.db2.gz VPEDHFFCSUGOCK-UHFFFAOYSA-N -1 0 329.268 2.297 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001609027504 1351818792 /nfs/dbraw/zinc/81/87/92/1351818792.db2.gz YRYBISWALXOYOU-ABKXIKBNSA-N -1 0 329.312 2.155 20 5 EEBDRM CC(=O)N1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001609599039 1352029807 /nfs/dbraw/zinc/02/98/07/1352029807.db2.gz FXATZABIXDSEBH-GFCCVEGCSA-N -1 0 335.360 2.272 20 5 EEBDRM CC(C)c1ncc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001609722076 1352068828 /nfs/dbraw/zinc/06/88/28/1352068828.db2.gz CZLGVCJJBNVMNH-UHFFFAOYSA-N -1 0 330.300 2.459 20 5 EEBDRM CC1(C)CC(CNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001609816821 1352092263 /nfs/dbraw/zinc/09/22/63/1352092263.db2.gz YFZNJIYFJIGKGM-UHFFFAOYSA-N -1 0 342.373 2.008 20 5 EEBDRM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC001609875122 1352108801 /nfs/dbraw/zinc/10/88/01/1352108801.db2.gz RWVLHNRPCNMQJO-UFBFGSQYSA-N -1 0 348.277 2.445 20 5 EEBDRM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cncc(C(=O)[O-])c1 ZINC001609877262 1352109425 /nfs/dbraw/zinc/10/94/25/1352109425.db2.gz MWOIRDAEASWKNH-SECBINFHSA-N -1 0 327.296 2.279 20 5 EEBDRM C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609879577 1352109989 /nfs/dbraw/zinc/10/99/89/1352109989.db2.gz YDLSEWSUTAHUNL-QPUJVOFHSA-N -1 0 348.277 2.445 20 5 EEBDRM CCNC(=O)c1cccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001610007791 1352139272 /nfs/dbraw/zinc/13/92/72/1352139272.db2.gz GKLQDKOMBXAOCY-UHFFFAOYSA-N -1 0 344.327 2.050 20 5 EEBDRM CCOc1cnc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cn1 ZINC001610046541 1352149178 /nfs/dbraw/zinc/14/91/78/1352149178.db2.gz BYNQHLANLLXLDJ-UHFFFAOYSA-N -1 0 346.299 2.042 20 5 EEBDRM COC(=O)c1ccc(OC(=O)c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001610215761 1352187775 /nfs/dbraw/zinc/18/77/75/1352187775.db2.gz PNQHJEPOFCQUQM-UHFFFAOYSA-N -1 0 345.263 2.299 20 5 EEBDRM Cc1cccc(S(=O)(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001610526687 1352238790 /nfs/dbraw/zinc/23/87/90/1352238790.db2.gz QQHCQWHZPLOONS-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1nc(C(C)C)ccc1Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O ZINC001610552845 1352243861 /nfs/dbraw/zinc/24/38/61/1352243861.db2.gz HFILQJMNJYLNKW-UHFFFAOYSA-N -1 0 331.328 2.330 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001610762335 1352270375 /nfs/dbraw/zinc/27/03/75/1352270375.db2.gz HHBQJWQLDQUNNR-UHFFFAOYSA-N -1 0 342.298 2.129 20 5 EEBDRM O=C([O-])COCC(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001610785075 1352274187 /nfs/dbraw/zinc/27/41/87/1352274187.db2.gz SAXJQDWDBUJWGO-UHFFFAOYSA-N -1 0 342.735 2.092 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](CO)CC2CCOCC2)c1 ZINC001610842212 1352283608 /nfs/dbraw/zinc/28/36/08/1352283608.db2.gz RYICFKHPOBFZJY-LBPRGKRZSA-N -1 0 338.360 2.130 20 5 EEBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC001589638495 1349014410 /nfs/dbraw/zinc/01/44/10/1349014410.db2.gz FSAHOZVSABQHPQ-UHFFFAOYSA-N -1 0 344.327 2.187 20 5 EEBDRM Cc1c(CC(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC001600011911 1349954969 /nfs/dbraw/zinc/95/49/69/1349954969.db2.gz UNMFOVSPUYLULV-MRXNPFEDSA-N -1 0 344.323 2.093 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2CCn3ccnc32)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039720 1349960250 /nfs/dbraw/zinc/96/02/50/1349960250.db2.gz DFROWKHRDLGMLI-SNVBAGLBSA-N -1 0 345.315 2.064 20 5 EEBDRM Cc1c(NC(=O)N[C@H]2CCO[C@@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041193 1349960632 /nfs/dbraw/zinc/96/06/32/1349960632.db2.gz QGOQDMXZOYZXNU-KWQFWETISA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1c(NC(=O)NCC[C@H]2CCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600042221 1349960700 /nfs/dbraw/zinc/96/07/00/1349960700.db2.gz RBDVUMUSLUPQKB-LLVKDONJSA-N -1 0 337.332 2.292 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](O)Cc2ccc(F)cc2)n1 ZINC001600107611 1349972799 /nfs/dbraw/zinc/97/27/99/1349972799.db2.gz ZHBFVEFTVBMBLI-LBPRGKRZSA-N -1 0 349.318 2.151 20 5 EEBDRM Cc1cc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001600238167 1349999134 /nfs/dbraw/zinc/99/91/34/1349999134.db2.gz FGZMOUVRCDHUHH-BDAKNGLRSA-N -1 0 348.277 2.194 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)[O-])nn2)cc1Cl ZINC001600302844 1350014970 /nfs/dbraw/zinc/01/49/70/1350014970.db2.gz SQWJNOZCBBHLAS-UHFFFAOYSA-N -1 0 336.691 2.297 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001600489718 1350063864 /nfs/dbraw/zinc/06/38/64/1350063864.db2.gz XKRKORSEZZZTOA-WCQYABFASA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1cccc(N(CC(=O)[O-])C(=O)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC001600537114 1350076408 /nfs/dbraw/zinc/07/64/08/1350076408.db2.gz UCBNPFLRBUSUMO-UHFFFAOYSA-N -1 0 347.302 2.098 20 5 EEBDRM Cc1ncsc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001600760453 1350130504 /nfs/dbraw/zinc/13/05/04/1350130504.db2.gz WSEBPVLLFAJPCM-CQSZACIVSA-N -1 0 335.341 2.090 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001600833031 1350147737 /nfs/dbraw/zinc/14/77/37/1350147737.db2.gz TWWSDWYCPDHBON-UHFFFAOYSA-N -1 0 335.268 2.317 20 5 EEBDRM NC(=O)c1ccc(CCOc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001601165688 1350223223 /nfs/dbraw/zinc/22/32/23/1350223223.db2.gz ISYXWYZQTJZGFN-UHFFFAOYSA-N -1 0 330.296 2.013 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC001601342541 1350261990 /nfs/dbraw/zinc/26/19/90/1350261990.db2.gz HCYHBBGZUYSIFE-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)CCS2 ZINC001601446965 1350285142 /nfs/dbraw/zinc/28/51/42/1350285142.db2.gz ZREUMHARBNEABO-PUUHTONNSA-N -1 0 340.357 2.047 20 5 EEBDRM O=C([O-])c1nsc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC001601629328 1350323324 /nfs/dbraw/zinc/32/33/24/1350323324.db2.gz IPAMTIUOYWJBGA-UHFFFAOYSA-N -1 0 328.693 2.050 20 5 EEBDRM O=C([O-])[C@H](CC1CCOCC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001601642916 1350326803 /nfs/dbraw/zinc/32/68/03/1350326803.db2.gz LIRFUGPVBIXKDX-ZDUSSCGKSA-N -1 0 349.343 2.096 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@H]2CCc3cncn3C2)c([N+](=O)[O-])c1 ZINC001601883916 1350390502 /nfs/dbraw/zinc/39/05/02/1350390502.db2.gz UYQXSXLETOPVGL-DWMUBGRBSA-N -1 0 328.328 2.316 20 5 EEBDRM O=C([O-])/C=C\c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC001601885923 1350390516 /nfs/dbraw/zinc/39/05/16/1350390516.db2.gz PIQMHMNVLHYOGP-KMKOMSMNSA-N -1 0 349.320 2.460 20 5 EEBDRM O=C([O-])CC1(CS(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001601924006 1350398109 /nfs/dbraw/zinc/39/81/09/1350398109.db2.gz XQCMAOPYJYSUGM-UHFFFAOYSA-N -1 0 349.748 2.212 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001601950336 1350404347 /nfs/dbraw/zinc/40/43/47/1350404347.db2.gz CMQCDJAQMCOENS-MRVPVSSYSA-N -1 0 344.270 2.276 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2occ3c2CCOC3)cc([N+](=O)[O-])c1 ZINC001602284388 1350485758 /nfs/dbraw/zinc/48/57/58/1350485758.db2.gz FHGDQQNZBYLFEB-UHFFFAOYSA-N -1 0 332.268 2.211 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCC[C@@H]1CCOC1 ZINC001602298889 1350488269 /nfs/dbraw/zinc/48/82/69/1350488269.db2.gz BJFFNUPBUSOTPN-SECBINFHSA-N -1 0 339.304 2.430 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC001602403763 1350511597 /nfs/dbraw/zinc/51/15/97/1350511597.db2.gz REHYBIYMDTZHNX-GFCCVEGCSA-N -1 0 334.250 2.044 20 5 EEBDRM O=C([O-])c1cnc(NCCN2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001602531724 1350539909 /nfs/dbraw/zinc/53/99/09/1350539909.db2.gz BJXMRDVSIFJDRZ-UHFFFAOYSA-N -1 0 328.328 2.116 20 5 EEBDRM O=C([O-])c1coc(/C=C/C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001602554001 1350544844 /nfs/dbraw/zinc/54/48/44/1350544844.db2.gz RZPGGLLCLXLDRW-ONEGZZNKSA-N -1 0 328.280 2.442 20 5 EEBDRM C/C(=C\C(=O)N1CCSC[C@H]1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001602951462 1350609649 /nfs/dbraw/zinc/60/96/49/1350609649.db2.gz NPWNEZUZXWGERL-FROQITRMSA-N -1 0 336.369 2.027 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC1 ZINC001603196646 1350660554 /nfs/dbraw/zinc/66/05/54/1350660554.db2.gz UTLJMRAFGJFYBF-QMMMGPOBSA-N -1 0 342.298 2.270 20 5 EEBDRM CC(C)(C)OC(=O)CCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603370543 1350696453 /nfs/dbraw/zinc/69/64/53/1350696453.db2.gz GEBIUMDRIGFDNP-UHFFFAOYSA-N -1 0 325.321 2.222 20 5 EEBDRM CC(C)C(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001603710455 1350747648 /nfs/dbraw/zinc/74/76/48/1350747648.db2.gz WUOKBYVECSWVFE-UHFFFAOYSA-N -1 0 344.389 2.254 20 5 EEBDRM C[C@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1nncn1C ZINC001604189909 1350889114 /nfs/dbraw/zinc/88/91/14/1350889114.db2.gz GHWYPHNFIRAFLS-SSDOTTSWSA-N -1 0 339.739 2.291 20 5 EEBDRM C[C@H](Cc1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC001604228744 1350898019 /nfs/dbraw/zinc/89/80/19/1350898019.db2.gz MFAIDVCGTNVJQE-SECBINFHSA-N -1 0 344.327 2.088 20 5 EEBDRM C[C@](NC(=O)c1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001604312509 1350913450 /nfs/dbraw/zinc/91/34/50/1350913450.db2.gz CLWQRDNEGNQFSZ-MRXNPFEDSA-N -1 0 332.287 2.464 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604937131 1351035050 /nfs/dbraw/zinc/03/50/50/1351035050.db2.gz PZXUSVJOWGJLKB-HQJQHLMTSA-N -1 0 346.286 2.425 20 5 EEBDRM CCOc1cc(COC(=O)C23CC(C(=O)[O-])(C2)C3)ccc1[N+](=O)[O-] ZINC001605671600 1351214439 /nfs/dbraw/zinc/21/44/39/1351214439.db2.gz YGIATPZOGDDLTD-UHFFFAOYSA-N -1 0 335.312 2.292 20 5 EEBDRM CCOc1ccc(C(=O)Nc2cccc(CC(=O)[O-])n2)cc1[N+](=O)[O-] ZINC001605680775 1351215081 /nfs/dbraw/zinc/21/50/81/1351215081.db2.gz LDWQTVJPGAACQI-UHFFFAOYSA-N -1 0 345.311 2.268 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001606570661 1351323776 /nfs/dbraw/zinc/32/37/76/1351323776.db2.gz AWZVJCSJFDDNLO-MRXNPFEDSA-N -1 0 336.344 2.381 20 5 EEBDRM COc1cc(OC[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC001607187988 1351445681 /nfs/dbraw/zinc/44/56/81/1351445681.db2.gz KSRDCBRUNRXNFD-AWEZNQCLSA-N -1 0 333.296 2.414 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNc2nc3ccccn3c2[N+](=O)[O-])n1C ZINC001607519649 1351510105 /nfs/dbraw/zinc/51/01/05/1351510105.db2.gz NTVQVTCLIBSAQJ-UHFFFAOYSA-N -1 0 329.316 2.200 20 5 EEBDRM Cc1c(NC(=O)N2CCSC[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001607544881 1351513461 /nfs/dbraw/zinc/51/34/61/1351513461.db2.gz OTIBRJMIHZJVLX-SNVBAGLBSA-N -1 0 339.373 2.185 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001607620835 1351526811 /nfs/dbraw/zinc/52/68/11/1351526811.db2.gz HIYHBVOMNNUGAB-UHFFFAOYSA-N -1 0 349.368 2.339 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CC(=O)[O-])n2)c1C ZINC001607825102 1351565924 /nfs/dbraw/zinc/56/59/24/1351565924.db2.gz NRKIJVIEJGOFTF-UHFFFAOYSA-N -1 0 329.312 2.486 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001607825508 1351566060 /nfs/dbraw/zinc/56/60/60/1351566060.db2.gz YSIFOPJYMGBTBO-UHFFFAOYSA-N -1 0 329.312 2.235 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC001607826453 1351566447 /nfs/dbraw/zinc/56/64/47/1351566447.db2.gz OFPJOXXKEAGFDJ-HZMBPMFUSA-N -1 0 335.360 2.027 20 5 EEBDRM Cc1ccn([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001607891735 1351580235 /nfs/dbraw/zinc/58/02/35/1351580235.db2.gz ZSNXRVXYXRKGKD-JTQLQIEISA-N -1 0 332.316 2.388 20 5 EEBDRM O=C([O-])c1occc1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001608301037 1351666668 /nfs/dbraw/zinc/66/66/68/1351666668.db2.gz RIUSLFPKNYWUSJ-UHFFFAOYSA-N -1 0 346.295 2.165 20 5 EEBDRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001608392725 1351685293 /nfs/dbraw/zinc/68/52/93/1351685293.db2.gz WKUPLBBPCQBCJD-MRVPVSSYSA-N -1 0 344.755 2.125 20 5 EEBDRM CSCCCN(C)c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001121392142 1371875299 /nfs/dbraw/zinc/87/52/99/1371875299.db2.gz PPNMDFICNRTPHV-UHFFFAOYSA-N -1 0 337.405 2.285 20 5 EEBDRM CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000835077940 1372588164 /nfs/dbraw/zinc/58/81/64/1372588164.db2.gz XTNZDTZVALJGGN-NOZJJQNGSA-N -1 0 344.364 2.221 20 5 EEBDRM O=C(CCC1CCC1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000175123829 773466366 /nfs/dbraw/zinc/46/63/66/773466366.db2.gz WEJDJCXVCUSWNB-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM O=C([O-])c1ccnc(N[C@@H](CCO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000844217772 788906588 /nfs/dbraw/zinc/90/65/88/788906588.db2.gz MEYJBGTUKNTXDD-LBPRGKRZSA-N -1 0 331.328 2.094 20 5 EEBDRM CCOc1cccc(CCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])n1 ZINC000844212932 788929604 /nfs/dbraw/zinc/92/96/04/788929604.db2.gz QIGGGQRKPXIXJB-UHFFFAOYSA-N -1 0 332.316 2.136 20 5 EEBDRM CCC(CC)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151457537 788973211 /nfs/dbraw/zinc/97/32/11/788973211.db2.gz LQVXWEUNTXVXRT-UHFFFAOYSA-N -1 0 328.390 2.020 20 5 EEBDRM CCOC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1N ZINC001174503598 797784193 /nfs/dbraw/zinc/78/41/93/797784193.db2.gz SDSWRDOXFKCRGY-UHFFFAOYSA-N -1 0 333.300 2.151 20 5 EEBDRM C[C@H]1SCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000828374771 798367892 /nfs/dbraw/zinc/36/78/92/798367892.db2.gz XKRBMDABQOKQFH-APPZFPTMSA-N -1 0 336.822 2.421 20 5 EEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000786764772 806880893 /nfs/dbraw/zinc/88/08/93/806880893.db2.gz HDJHTZBKPDNCEQ-NSHDSACASA-N -1 0 348.277 2.341 20 5 EEBDRM CCC1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2C)(C(=O)[O-])CC1 ZINC000263025241 939093788 /nfs/dbraw/zinc/09/37/88/939093788.db2.gz YVAKKGISBVYQHV-UHFFFAOYSA-N -1 0 335.360 2.452 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001600486963 970815488 /nfs/dbraw/zinc/81/54/88/970815488.db2.gz JAWWSZRXKHQLGC-UHFFFAOYSA-N -1 0 333.304 2.137 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001595179273 952246054 /nfs/dbraw/zinc/24/60/54/952246054.db2.gz MQEQMHKZPLUCOV-BZPMIXESSA-N -1 0 336.369 2.280 20 5 EEBDRM CN(C)c1ccc(COC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001593711058 954188153 /nfs/dbraw/zinc/18/81/53/954188153.db2.gz QLGXDBKQZHXCAE-NEPJUHHUSA-N -1 0 336.344 2.205 20 5 EEBDRM O=C([O-])[C@]1(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC=CCC1 ZINC001594863233 954295316 /nfs/dbraw/zinc/29/53/16/954295316.db2.gz XYNDZOFMCWTOFE-OAHLLOKOSA-N -1 0 340.282 2.300 20 5 EEBDRM CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC001589549605 955212450 /nfs/dbraw/zinc/21/24/50/955212450.db2.gz ZWRGYORTOVHUCU-ZETCQYMHSA-N -1 0 334.250 2.454 20 5 EEBDRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC001594536131 955574898 /nfs/dbraw/zinc/57/48/98/955574898.db2.gz LSVWUTXXIJZIAF-WDEREUQCSA-N -1 0 348.334 2.162 20 5 EEBDRM C[C@H](CNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001589048577 955630995 /nfs/dbraw/zinc/63/09/95/955630995.db2.gz CCBVQKCUECIOGV-MBNYWOFBSA-N -1 0 349.387 2.451 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001589184710 956554198 /nfs/dbraw/zinc/55/41/98/956554198.db2.gz ATLULAAEIMBSRC-CQSZACIVSA-N -1 0 344.726 2.396 20 5 EEBDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001589205831 956664614 /nfs/dbraw/zinc/66/46/14/956664614.db2.gz NKGCMQGLRMMFNN-UHFFFAOYSA-N -1 0 334.372 2.391 20 5 EEBDRM CON(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001594040916 957874295 /nfs/dbraw/zinc/87/42/95/957874295.db2.gz SOUQJRBUQOAFLN-JTQLQIEISA-N -1 0 345.311 2.134 20 5 EEBDRM COc1cc(C(=O)NCc2ccccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594051382 957994695 /nfs/dbraw/zinc/99/46/95/957994695.db2.gz MMYPMRRLDYNVEP-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM Cc1cc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594324541 958147444 /nfs/dbraw/zinc/14/74/44/958147444.db2.gz BQRDPNUMTWSQNU-QWHCGFSZSA-N -1 0 344.327 2.138 20 5 EEBDRM COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1[N+](=O)[O-] ZINC001594078123 958234526 /nfs/dbraw/zinc/23/45/26/958234526.db2.gz NMZGCMPDOILGGG-OAHLLOKOSA-N -1 0 344.323 2.468 20 5 EEBDRM CC(C)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001588816723 961591987 /nfs/dbraw/zinc/59/19/87/961591987.db2.gz MDNMSUKVTUFXJZ-LLVKDONJSA-N -1 0 340.351 2.485 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C(=O)[O-] ZINC001588829528 961686086 /nfs/dbraw/zinc/68/60/86/961686086.db2.gz HQVSSRGTRRDSNW-SSDOTTSWSA-N -1 0 347.730 2.056 20 5 EEBDRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001605839556 972575313 /nfs/dbraw/zinc/57/53/13/972575313.db2.gz RAZQPLOSYAOXTN-KBTIHESUSA-N -1 0 333.127 2.495 20 5 EEBDRM Cc1c(NC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001605092394 972743168 /nfs/dbraw/zinc/74/31/68/972743168.db2.gz VOJLQVGLUKUMOR-CYBMUJFWSA-N -1 0 344.327 2.116 20 5 EEBDRM O=C([O-])CN1CCCC[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC001606259026 973617561 /nfs/dbraw/zinc/61/75/61/973617561.db2.gz NWNCDUHKBJJGOI-SNVBAGLBSA-N -1 0 341.751 2.126 20 5 EEBDRM COc1ccc(NC(=O)[C@H](C)SCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001604809617 974047952 /nfs/dbraw/zinc/04/79/52/974047952.db2.gz LXEVNQAVUAHFNF-QMMMGPOBSA-N -1 0 328.346 2.138 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001605699660 974126761 /nfs/dbraw/zinc/12/67/61/974126761.db2.gz XLTSXNMHAAOWNN-HNNXBMFYSA-N -1 0 347.302 2.088 20 5 EEBDRM CC(C)c1ccc(C(=O)Nc2ccnc(C(=O)[O-])n2)cc1[N+](=O)[O-] ZINC001591947516 976490841 /nfs/dbraw/zinc/49/08/41/976490841.db2.gz MLJWIHVOLQCHIB-UHFFFAOYSA-N -1 0 330.300 2.459 20 5 EEBDRM CC(C)n1ccc(CC(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC001592133493 976978436 /nfs/dbraw/zinc/97/84/36/976978436.db2.gz VYHJUKDCXGNWNU-UHFFFAOYSA-N -1 0 347.327 2.356 20 5 EEBDRM C[C@@H](CC(=O)[O-])CC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001592402766 977970585 /nfs/dbraw/zinc/97/05/85/977970585.db2.gz QCVZFUOLZQTVDX-VIFPVBQESA-N -1 0 349.299 2.189 20 5 EEBDRM CCC(CC)(CO)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595088291 979376544 /nfs/dbraw/zinc/37/65/44/979376544.db2.gz BZXFUNCSZXTDNO-UHFFFAOYSA-N -1 0 339.348 2.274 20 5 EEBDRM CCN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)c1ncc(C(=O)[O-])s1 ZINC001596165639 983530570 /nfs/dbraw/zinc/53/05/70/983530570.db2.gz YFYMWGAHUBVBGE-UHFFFAOYSA-N -1 0 336.329 2.120 20 5 EEBDRM C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[C@H]1C(=O)[O-] ZINC001599923764 985173315 /nfs/dbraw/zinc/17/33/15/985173315.db2.gz ZDUUEIAQORORKQ-VHSXEESVSA-N -1 0 331.328 2.259 20 5 EEBDRM CCOc1cc(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])on1 ZINC001597028793 986439927 /nfs/dbraw/zinc/43/99/27/986439927.db2.gz PQQOTHBDKXBMPF-UHFFFAOYSA-N -1 0 336.256 2.037 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F ZINC001589588963 987389097 /nfs/dbraw/zinc/38/90/97/987389097.db2.gz PXACERVKNAIGDK-UHFFFAOYSA-N -1 0 339.197 2.210 20 5 EEBDRM CC[C@H](OC(=O)Cn1cc(C(=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC001597356323 987505325 /nfs/dbraw/zinc/50/53/25/987505325.db2.gz VRVHZSKQAIGHAY-ZDUSSCGKSA-N -1 0 333.300 2.184 20 5 EEBDRM CCc1nn(C)c(Nc2ccc(OCCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001597718954 988998337 /nfs/dbraw/zinc/99/83/37/988998337.db2.gz XBNLQPGNXSSRMA-UHFFFAOYSA-N -1 0 334.332 2.488 20 5 EEBDRM CCn1nc(C)c(CN(C)c2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1C ZINC001597933145 989892312 /nfs/dbraw/zinc/89/23/12/989892312.db2.gz CFNJJBFXZVXHAS-UHFFFAOYSA-N -1 0 333.348 2.158 20 5 EEBDRM COc1ccnc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001599721481 991546319 /nfs/dbraw/zinc/54/63/19/991546319.db2.gz TWCSKKWDBYOJCU-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COc1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c([N+](=O)[O-])c1 ZINC001599596085 993750423 /nfs/dbraw/zinc/75/04/23/993750423.db2.gz XGCQMRNMXPOJNZ-UHFFFAOYSA-N -1 0 337.332 2.370 20 5 EEBDRM C[C@@H](c1ccc(C(=O)[O-])o1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001593689099 996130375 /nfs/dbraw/zinc/13/03/75/996130375.db2.gz AJXLNASKDWBPJX-QMMMGPOBSA-N -1 0 325.298 2.421 20 5 EEBDRM CON(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@@H](C)CC(=O)[O-] ZINC001599310979 997414496 /nfs/dbraw/zinc/41/44/96/997414496.db2.gz HWRBXKFXTCJCMI-VIFPVBQESA-N -1 0 347.327 2.197 20 5 EEBDRM COc1c(C(=O)NCc2ccc(C(=O)[O-])s2)cccc1[N+](=O)[O-] ZINC001599328352 997704332 /nfs/dbraw/zinc/70/43/32/997704332.db2.gz OLRNBPSKZUDQKV-UHFFFAOYSA-N -1 0 336.325 2.293 20 5 EEBDRM CO[C@@H]1CN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599129477 997915320 /nfs/dbraw/zinc/91/53/20/997915320.db2.gz DYXYJXJKBLBZJO-FVXSSJTDSA-N -1 0 348.355 2.089 20 5 EEBDRM C[C@@]12COC[C@H]1CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)C2 ZINC001594090982 998040507 /nfs/dbraw/zinc/04/05/07/998040507.db2.gz WGMRKWQELVGAFT-XLKFXECMSA-N -1 0 326.736 2.419 20 5 EEBDRM CO[C@@H]1COCC[C@H]1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001599137982 998076196 /nfs/dbraw/zinc/07/61/96/998076196.db2.gz FIRXUHLLHXLWLU-ISVAXAHUSA-N -1 0 344.751 2.410 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1COC(=O)c1ccnc(C(=O)[O-])c1 ZINC001599461902 998286870 /nfs/dbraw/zinc/28/68/70/998286870.db2.gz IDXWSXJQZXDVPW-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COC(=O)c1cnc(NCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001599009042 998881104 /nfs/dbraw/zinc/88/11/04/998881104.db2.gz DGSXNPYCUWDMLW-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM CN(C)c1nc2c(s1)CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])CC2 ZINC001548802188 1124515797 /nfs/dbraw/zinc/51/57/97/1124515797.db2.gz OYNYDLNVDSZRKJ-UHFFFAOYSA-N -1 0 348.384 2.021 20 5 EEBDRM COc1ccc2c(c1)[nH]nc2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000194793071 237463317 /nfs/dbraw/zinc/46/33/17/237463317.db2.gz SDEIRPQNPGUPNY-UHFFFAOYSA-N -1 0 328.284 2.438 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000236973527 242431991 /nfs/dbraw/zinc/43/19/91/242431991.db2.gz IVCFQRIQVQSDQI-IINYFYTJSA-N -1 0 346.343 2.010 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)c([N+](=O)[O-])c1 ZINC000069653280 203032274 /nfs/dbraw/zinc/03/22/74/203032274.db2.gz HAFMBDJJDCJNAY-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000456302558 244210006 /nfs/dbraw/zinc/21/00/06/244210006.db2.gz GMMMYUUTWVYAIZ-XJKSGUPXSA-N -1 0 343.339 2.346 20 5 EEBDRM COc1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262829981 245200149 /nfs/dbraw/zinc/20/01/49/245200149.db2.gz QGGADHATRBOIDU-MEDUHNTESA-N -1 0 336.344 2.367 20 5 EEBDRM CCC[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000263258291 245372359 /nfs/dbraw/zinc/37/23/59/245372359.db2.gz WCVFRGYLENIBLV-JTQLQIEISA-N -1 0 328.752 2.408 20 5 EEBDRM CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000156890317 206104187 /nfs/dbraw/zinc/10/41/87/206104187.db2.gz JROBJSWENQWIQD-YCINEILWSA-N -1 0 340.401 2.110 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000156890460 206104202 /nfs/dbraw/zinc/10/42/02/206104202.db2.gz JROBJSWENQWIQD-XMWNIVNYSA-N -1 0 340.401 2.110 20 5 EEBDRM C[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000493697824 246768112 /nfs/dbraw/zinc/76/81/12/246768112.db2.gz VSPDMNHSWOWSEA-KMOZTTGJSA-N -1 0 336.319 2.316 20 5 EEBDRM Cc1noc(CCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000181537338 207955049 /nfs/dbraw/zinc/95/50/49/207955049.db2.gz YMXQZWCHELHXAW-UHFFFAOYSA-N -1 0 326.696 2.217 20 5 EEBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000119271980 292243501 /nfs/dbraw/zinc/24/35/01/292243501.db2.gz OYAKDACZJDLWED-AWEZNQCLSA-N -1 0 330.340 2.496 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000262975141 152349244 /nfs/dbraw/zinc/34/92/44/152349244.db2.gz AZPRGPUYUHMMAJ-VIFPVBQESA-N -1 0 325.321 2.178 20 5 EEBDRM O=C([O-])CCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000262978676 152350920 /nfs/dbraw/zinc/35/09/20/152350920.db2.gz BPWDNDDGFCDYAI-UHFFFAOYSA-N -1 0 346.137 2.344 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000263054395 152366162 /nfs/dbraw/zinc/36/61/62/152366162.db2.gz OCZBQWVGOJTPDB-GBIKHYSHSA-N -1 0 338.385 2.397 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000263137505 152383750 /nfs/dbraw/zinc/38/37/50/152383750.db2.gz DJFIECHRKBPTKM-GHMZBOCLSA-N -1 0 338.385 2.256 20 5 EEBDRM O=C(c1ccc(F)cc1[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000123851139 292284321 /nfs/dbraw/zinc/28/43/21/292284321.db2.gz JEKGYEDBPFWBTH-LLVKDONJSA-N -1 0 346.318 2.161 20 5 EEBDRM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OCO2 ZINC000357714580 153302236 /nfs/dbraw/zinc/30/22/36/153302236.db2.gz HNXAZZVQZOECNQ-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC(COc2ccccc2)C1 ZINC000377195983 154082517 /nfs/dbraw/zinc/08/25/17/154082517.db2.gz VZPLOZRKGSVDQU-UHFFFAOYSA-N -1 0 328.324 2.451 20 5 EEBDRM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262318139 160450682 /nfs/dbraw/zinc/45/06/82/160450682.db2.gz VBKAJHYVQULWHG-WCBMZHEXSA-N -1 0 344.751 2.385 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncc(C)s1 ZINC000075923283 159077439 /nfs/dbraw/zinc/07/74/39/159077439.db2.gz NFLPPNQJRKKTBE-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cc12 ZINC000186631185 160077922 /nfs/dbraw/zinc/07/79/22/160077922.db2.gz MYDKLBCXPKBWTN-UHFFFAOYSA-N -1 0 348.340 2.494 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237476784 160222176 /nfs/dbraw/zinc/22/21/76/160222176.db2.gz YOGAGHQEMRTDBC-QMMMGPOBSA-N -1 0 335.341 2.311 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000238090504 160227993 /nfs/dbraw/zinc/22/79/93/160227993.db2.gz QQVISUAMKPLQGN-UHFFFAOYSA-N -1 0 329.312 2.021 20 5 EEBDRM CNC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1F ZINC000341916143 161023894 /nfs/dbraw/zinc/02/38/94/161023894.db2.gz KJIPGPVIWVEAET-UHFFFAOYSA-N -1 0 348.290 2.443 20 5 EEBDRM COCCN(Cc1cncs1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000344805729 161247408 /nfs/dbraw/zinc/24/74/08/161247408.db2.gz DVVICGHYUUKBQR-UHFFFAOYSA-N -1 0 337.357 2.046 20 5 EEBDRM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000345518025 161308040 /nfs/dbraw/zinc/30/80/40/161308040.db2.gz BHUURWRWJHIRMN-UHFFFAOYSA-N -1 0 343.748 2.458 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](OCc2ccccn2)C1 ZINC000272471841 268979802 /nfs/dbraw/zinc/97/98/02/268979802.db2.gz ZKOQZWWMFVKJBK-AWEZNQCLSA-N -1 0 343.339 2.127 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC000275063173 269090233 /nfs/dbraw/zinc/09/02/33/269090233.db2.gz VANAJQRONMSCED-LBPRGKRZSA-N -1 0 344.389 2.071 20 5 EEBDRM CC[C@H](C)c1nnc([C@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[nH]1 ZINC000277933174 274325212 /nfs/dbraw/zinc/32/52/12/274325212.db2.gz RZWDDMSSUOUCBD-IUCAKERBSA-N -1 0 333.348 2.423 20 5 EEBDRM CCc1nn(C)c(N(C)Cc2nc(=O)c3sccc3[n-]2)c1[N+](=O)[O-] ZINC000288205502 275035006 /nfs/dbraw/zinc/03/50/06/275035006.db2.gz TWBQMFIUXSEENI-UHFFFAOYSA-N -1 0 348.388 2.237 20 5 EEBDRM CC(C)(CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000262121241 277297354 /nfs/dbraw/zinc/29/73/54/277297354.db2.gz BZIRYDIAKTUREP-UHFFFAOYSA-N -1 0 346.343 2.011 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000078245852 288503439 /nfs/dbraw/zinc/50/34/39/288503439.db2.gz DVPOWUBOMJNMIZ-HDODXQBNSA-N -1 0 340.401 2.110 20 5 EEBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCCc2c1cnn2C ZINC000183443896 288921738 /nfs/dbraw/zinc/92/17/38/288921738.db2.gz MQOGRIXGKKHLOW-GFCCVEGCSA-N -1 0 330.344 2.184 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000336877078 304806476 /nfs/dbraw/zinc/80/64/76/304806476.db2.gz WYIWEMXSANFOTG-UHFFFAOYSA-N -1 0 340.288 2.263 20 5 EEBDRM O=C([O-])c1cn(CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1 ZINC000325021393 311602032 /nfs/dbraw/zinc/60/20/32/311602032.db2.gz CTSCXDOUYBBFKJ-UHFFFAOYSA-N -1 0 345.237 2.015 20 5 EEBDRM CN(Cc1cn2c(n1)CCCC2)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000430433191 314530589 /nfs/dbraw/zinc/53/05/89/314530589.db2.gz MBZQMQSKUNZSGU-UHFFFAOYSA-N -1 0 330.344 2.105 20 5 EEBDRM O=c1oc(-c2ccc(F)cc2)nn1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000436476711 314965859 /nfs/dbraw/zinc/96/58/59/314965859.db2.gz TZRFLCWOXFJJRK-UHFFFAOYSA-N -1 0 331.259 2.305 20 5 EEBDRM O=C(Nc1cccc(Cn2cncn2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436772389 314996696 /nfs/dbraw/zinc/99/66/96/314996696.db2.gz LGMIOFHCDORQTK-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM Cc1cccc2c1OC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000436823144 315002710 /nfs/dbraw/zinc/00/27/10/315002710.db2.gz ZNDQSJOVMCPOIQ-GFCCVEGCSA-N -1 0 328.324 2.342 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1OC ZINC000436915844 315012213 /nfs/dbraw/zinc/01/22/13/315012213.db2.gz SORSXFVFZREILI-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM COCC[C@@H](Cc1ccco1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436917452 315013014 /nfs/dbraw/zinc/01/30/14/315013014.db2.gz DSGDGYIRRAQQHS-NSHDSACASA-N -1 0 334.328 2.271 20 5 EEBDRM COC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436990186 315021069 /nfs/dbraw/zinc/02/10/69/315021069.db2.gz PIPQGNJEODCLNL-ZDUSSCGKSA-N -1 0 330.340 2.288 20 5 EEBDRM CN1C[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])Cc2ccccc21 ZINC000444546982 315307109 /nfs/dbraw/zinc/30/71/09/315307109.db2.gz MQSQMSYKGPZYPN-GFCCVEGCSA-N -1 0 341.367 2.339 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000458312605 315696825 /nfs/dbraw/zinc/69/68/25/315696825.db2.gz NJUWKDFHGAZAPV-DZGCQCFKSA-N -1 0 334.372 2.314 20 5 EEBDRM CC(C)(C)OC(=O)NCc1noc(-c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000496690081 316230411 /nfs/dbraw/zinc/23/04/11/316230411.db2.gz IIRGVDNWOMVOAB-UHFFFAOYSA-N -1 0 336.304 2.375 20 5 EEBDRM Cc1cc(N2CCC(c3nncn3C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000519543536 316787968 /nfs/dbraw/zinc/78/79/68/316787968.db2.gz MSBJLNJEVFHRPS-UHFFFAOYSA-N -1 0 345.359 2.114 20 5 EEBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000537403653 318017131 /nfs/dbraw/zinc/01/71/31/318017131.db2.gz SGMFWFRDNUCBTN-IINYFYTJSA-N -1 0 331.328 2.125 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2noc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000537594382 318021461 /nfs/dbraw/zinc/02/14/61/318021461.db2.gz VUCGQCWJRADVNW-UHFFFAOYSA-N -1 0 326.334 2.210 20 5 EEBDRM CCC(CC)(CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000540668630 318076861 /nfs/dbraw/zinc/07/68/61/318076861.db2.gz VBAYDKHFLLKLGS-UHFFFAOYSA-N -1 0 338.360 2.153 20 5 EEBDRM CN(C)c1cccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000564659139 319099035 /nfs/dbraw/zinc/09/90/35/319099035.db2.gz RVKSGHWPUFQCGA-UHFFFAOYSA-N -1 0 330.344 2.295 20 5 EEBDRM CC(C)CN(C(C)C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000564923033 319128768 /nfs/dbraw/zinc/12/87/68/319128768.db2.gz JQPPUCVMNRWERU-UHFFFAOYSA-N -1 0 344.389 2.348 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000566182784 319257506 /nfs/dbraw/zinc/25/75/06/319257506.db2.gz OYILYAOROCMGLC-CQSZACIVSA-N -1 0 344.389 2.071 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000566298442 319271690 /nfs/dbraw/zinc/27/16/90/319271690.db2.gz WQLZVRTZDJXVTF-CXAGYDPISA-N -1 0 334.372 2.431 20 5 EEBDRM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000566749180 319317657 /nfs/dbraw/zinc/31/76/57/319317657.db2.gz QGCSJYJMYRYHEP-XWEPSHTISA-N -1 0 344.776 2.320 20 5 EEBDRM O=C(NC[C@@H]1CCC[C@H](O)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568513660 319495629 /nfs/dbraw/zinc/49/56/29/319495629.db2.gz JTTZSHSNOJOLHF-SCZZXKLOSA-N -1 0 328.752 2.235 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](C3CCOCC3)C2)n1 ZINC000569461419 319578983 /nfs/dbraw/zinc/57/89/83/319578983.db2.gz ZYUQEELHAMLWEU-GFCCVEGCSA-N -1 0 335.360 2.249 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(CCO)CC1 ZINC000569850921 319614628 /nfs/dbraw/zinc/61/46/28/319614628.db2.gz MLZRXZHFXQVXDS-UHFFFAOYSA-N -1 0 328.752 2.188 20 5 EEBDRM C[C@@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C(C)(C)C ZINC000572957669 319892247 /nfs/dbraw/zinc/89/22/47/319892247.db2.gz QCYWBWQTHXGIBE-SECBINFHSA-N -1 0 344.389 2.348 20 5 EEBDRM CC(C)(O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000574880964 320065866 /nfs/dbraw/zinc/06/58/66/320065866.db2.gz PDBVIBPQIWFTTA-NSHDSACASA-N -1 0 328.752 2.329 20 5 EEBDRM CCCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H](CC)C(=O)[O-] ZINC000576096162 320140489 /nfs/dbraw/zinc/14/04/89/320140489.db2.gz GQFOXZJPCRLUGI-AWEZNQCLSA-N -1 0 337.376 2.422 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000578010602 320288667 /nfs/dbraw/zinc/28/86/67/320288667.db2.gz UFKGXLQCYZOJKX-SECBINFHSA-N -1 0 342.373 2.165 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000392451670 323550346 /nfs/dbraw/zinc/55/03/46/323550346.db2.gz DVUNCDPVDQUHRV-UHFFFAOYSA-N -1 0 330.296 2.239 20 5 EEBDRM COc1cccc(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1OC ZINC000578872258 323725050 /nfs/dbraw/zinc/72/50/50/323725050.db2.gz UMPIQFHFNPTMNB-UHFFFAOYSA-N -1 0 347.327 2.360 20 5 EEBDRM C[C@](CO)(CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])Cc1ccccc1 ZINC000580201443 324015090 /nfs/dbraw/zinc/01/50/90/324015090.db2.gz NIWRPQZURVOYKZ-QGZVFWFLSA-N -1 0 345.355 2.341 20 5 EEBDRM O=C([O-])c1cnc(NC[C@]2(CO)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000583996758 324774853 /nfs/dbraw/zinc/77/48/53/324774853.db2.gz AVSSDHQASXNHKE-GUYCJALGSA-N -1 0 343.339 2.266 20 5 EEBDRM CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000046303476 462669438 /nfs/dbraw/zinc/66/94/38/462669438.db2.gz IVELIIDBZMXLDR-UHFFFAOYSA-N -1 0 349.368 2.097 20 5 EEBDRM COc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000013392766 462891581 /nfs/dbraw/zinc/89/15/81/462891581.db2.gz BCIBQSGEXZDNMI-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM Cc1ccnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C2CC2)n1 ZINC000134280910 463021802 /nfs/dbraw/zinc/02/18/02/463021802.db2.gz DFCISAFJVGSXAY-ZDUSSCGKSA-N -1 0 328.328 2.280 20 5 EEBDRM CCc1cnc(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000095424390 463081882 /nfs/dbraw/zinc/08/18/82/463081882.db2.gz GMMQYZAIMHUSSM-UHFFFAOYSA-N -1 0 349.368 2.284 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2C)c([N+](=O)[O-])c1 ZINC000158695586 463247316 /nfs/dbraw/zinc/24/73/16/463247316.db2.gz HTCPHIQSLBQOPK-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1cccn2cc(CC(=O)Nc3cc([N+](=O)[O-])ccc3[O-])nc12 ZINC000041284285 463477208 /nfs/dbraw/zinc/47/72/08/463477208.db2.gz WEKGHCFCYIBUIS-UHFFFAOYSA-N -1 0 326.312 2.438 20 5 EEBDRM CN(C)C(=O)Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000164251386 463619518 /nfs/dbraw/zinc/61/95/18/463619518.db2.gz VMDGAEJDJHMGAS-UHFFFAOYSA-N -1 0 343.339 2.183 20 5 EEBDRM O=[N+]([O-])c1c([N-]c2cnn(C[C@H]3CCCO3)c2)nc2sccn21 ZINC000043272492 463632112 /nfs/dbraw/zinc/63/21/12/463632112.db2.gz JGEZOCONDRERGX-SNVBAGLBSA-N -1 0 334.361 2.423 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000152049257 463635778 /nfs/dbraw/zinc/63/57/78/463635778.db2.gz LSRRYCOHPMCPRO-VXGBXAGGSA-N -1 0 349.387 2.114 20 5 EEBDRM O=C([O-])Cn1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000178223374 463862877 /nfs/dbraw/zinc/86/28/77/463862877.db2.gz VAODXIWNTYURQL-UHFFFAOYSA-N -1 0 346.324 2.343 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c1 ZINC000262092667 463944441 /nfs/dbraw/zinc/94/44/41/463944441.db2.gz DCBRJMBRSRNLSZ-NXEZZACHSA-N -1 0 346.261 2.238 20 5 EEBDRM COC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000262406433 464020476 /nfs/dbraw/zinc/02/04/76/464020476.db2.gz NFFKHGWIQPBXBI-ZDUSSCGKSA-N -1 0 348.311 2.312 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000263436762 464105204 /nfs/dbraw/zinc/10/52/04/464105204.db2.gz LQOWTAKOJHHSCF-MRXNPFEDSA-N -1 0 331.328 2.015 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)ccc1[N+](=O)[O-] ZINC000188124636 464206445 /nfs/dbraw/zinc/20/64/45/464206445.db2.gz NSVDQULZBNMGHE-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM COCc1cnc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000285053908 464439906 /nfs/dbraw/zinc/43/99/06/464439906.db2.gz KDWCPHHMLNTDBK-UHFFFAOYSA-N -1 0 343.386 2.140 20 5 EEBDRM CCOCCO[C@@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272128067 464488951 /nfs/dbraw/zinc/48/89/51/464488951.db2.gz RRJSLDADJGKHFL-QMMMGPOBSA-N -1 0 332.740 2.334 20 5 EEBDRM O=C(NCc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2)cc1[O-] ZINC000175565615 464575629 /nfs/dbraw/zinc/57/56/29/464575629.db2.gz CIKMFEDHMAEOMS-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176717269 464832220 /nfs/dbraw/zinc/83/22/20/464832220.db2.gz LFGRZUYWNLBIHB-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1C ZINC000192134077 464871192 /nfs/dbraw/zinc/87/11/92/464871192.db2.gz BBJYBPPFKWOQHJ-UHFFFAOYSA-N -1 0 344.286 2.390 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000183893218 464923157 /nfs/dbraw/zinc/92/31/57/464923157.db2.gz TVNZMTXBOYKHDX-UHFFFAOYSA-N -1 0 325.321 2.379 20 5 EEBDRM Cc1cccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c1[N+](=O)[O-] ZINC000253418137 465006264 /nfs/dbraw/zinc/00/62/64/465006264.db2.gz LJDGJTFNIKDQIQ-UHFFFAOYSA-N -1 0 339.311 2.234 20 5 EEBDRM Cc1csc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)n1 ZINC000184651645 465014039 /nfs/dbraw/zinc/01/40/39/465014039.db2.gz QRTHCPYMNHIXHK-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1O ZINC000351758716 465342741 /nfs/dbraw/zinc/34/27/41/465342741.db2.gz YCYPZYKUAZZJAB-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM Cc1nncn1-c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356737404 465514604 /nfs/dbraw/zinc/51/46/04/465514604.db2.gz ZBNVYVQKHIIRMH-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)s1 ZINC000340227821 465899418 /nfs/dbraw/zinc/89/94/18/465899418.db2.gz CEYCMNLSLYQVED-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000338220704 465914248 /nfs/dbraw/zinc/91/42/48/465914248.db2.gz CUYFMVPTAOTVSD-UHFFFAOYSA-N -1 0 340.313 2.020 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H](C2CC2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000597159483 468463052 /nfs/dbraw/zinc/46/30/52/468463052.db2.gz LXTAHMCLTAOCNN-SNVBAGLBSA-N -1 0 332.234 2.364 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCOc2cccc(F)c2C1 ZINC000367285532 466238682 /nfs/dbraw/zinc/23/86/82/466238682.db2.gz FXTIQSKBFYXITN-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000346989378 466300272 /nfs/dbraw/zinc/30/02/72/466300272.db2.gz WTDQZJCZSMUBGZ-UHFFFAOYSA-N -1 0 344.279 2.317 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cnc3c(c2)COCC3)ccc1[N+](=O)[O-] ZINC000361973294 466449806 /nfs/dbraw/zinc/44/98/06/466449806.db2.gz AXWDOVSDCDRVHH-UHFFFAOYSA-N -1 0 349.368 2.172 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1[O-] ZINC000314356676 466549807 /nfs/dbraw/zinc/54/98/07/466549807.db2.gz MHEUXAYSBNSWCG-UHFFFAOYSA-N -1 0 342.760 2.432 20 5 EEBDRM O=C([O-])CN(Cc1ccccc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000347366239 466592836 /nfs/dbraw/zinc/59/28/36/466592836.db2.gz LTAGDELHRCDZKY-UHFFFAOYSA-N -1 0 328.324 2.251 20 5 EEBDRM O=C([O-])C[C@H]1CSCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000319753822 466598796 /nfs/dbraw/zinc/59/87/96/466598796.db2.gz ABUGWDUOMYQFGE-YIALFULDSA-N -1 0 336.369 2.027 20 5 EEBDRM Cn1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc2ccccc2c1=O ZINC000354520733 466626250 /nfs/dbraw/zinc/62/62/50/466626250.db2.gz KFTOMTZTCGRBRM-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM Cc1onc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C ZINC000451049930 467235218 /nfs/dbraw/zinc/23/52/18/467235218.db2.gz OLSLIPPFDIJXPI-UHFFFAOYSA-N -1 0 325.346 2.184 20 5 EEBDRM O=C(NC1(CO)C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])cc1[O-] ZINC000413958722 467350119 /nfs/dbraw/zinc/35/01/19/467350119.db2.gz XMEHKFLRUDUWEL-UHFFFAOYSA-N -1 0 346.383 2.217 20 5 EEBDRM Cn1c(=O)[nH]c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc21 ZINC000443191247 467579139 /nfs/dbraw/zinc/57/91/39/467579139.db2.gz XBPWRSOWFBRFTL-UHFFFAOYSA-N -1 0 328.284 2.145 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2ccc(N(C)C)nc2)cccc1[N+](=O)[O-] ZINC000448543524 467592591 /nfs/dbraw/zinc/59/25/91/467592591.db2.gz PAINGFQWRMUVOD-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM CC[C@H]1CN(CCNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000567978093 468248092 /nfs/dbraw/zinc/24/80/92/468248092.db2.gz WUSNEFBMCJIVIQ-ZDUSSCGKSA-N -1 0 337.376 2.124 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCN(CC(F)(F)F)C2)n1 ZINC000567982158 468249739 /nfs/dbraw/zinc/24/97/39/468249739.db2.gz OTUBQRZKJRCQME-QMMMGPOBSA-N -1 0 348.281 2.045 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCc2nc(C3CC3)ncc2C1 ZINC000600419634 468552429 /nfs/dbraw/zinc/55/24/29/468552429.db2.gz KQVIYQZVHNFBHH-UHFFFAOYSA-N -1 0 340.339 2.166 20 5 EEBDRM CC(C)OC(=O)C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000594407744 468575195 /nfs/dbraw/zinc/57/51/95/468575195.db2.gz NIJITCSQNYITNN-CQSZACIVSA-N -1 0 338.360 2.397 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000556907977 468598356 /nfs/dbraw/zinc/59/83/56/468598356.db2.gz YTSGGBXCPSBQFT-UHFFFAOYSA-N -1 0 347.371 2.306 20 5 EEBDRM O=C(NCCc1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1[O-] ZINC000556931884 468599252 /nfs/dbraw/zinc/59/92/52/468599252.db2.gz ZJPKQXKKEYUVMI-UHFFFAOYSA-N -1 0 327.296 2.414 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnn(CCF)c2)c1[N+](=O)[O-] ZINC000600660634 468612868 /nfs/dbraw/zinc/61/28/68/468612868.db2.gz MTDLJUYKZIGKKO-UHFFFAOYSA-N -1 0 342.352 2.178 20 5 EEBDRM CCOC(=O)c1cc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000600800565 468661037 /nfs/dbraw/zinc/66/10/37/468661037.db2.gz MPEUGMBPXYBFFK-CMPLNLGQSA-N -1 0 336.344 2.319 20 5 EEBDRM CCC(C)(C)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000594721544 468663475 /nfs/dbraw/zinc/66/34/75/468663475.db2.gz WQUHMVGEMCKLSZ-VIFPVBQESA-N -1 0 344.389 2.396 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000570686473 468677855 /nfs/dbraw/zinc/67/78/55/468677855.db2.gz LGAYWFFUHBUQTN-CQSZACIVSA-N -1 0 335.360 2.474 20 5 EEBDRM Cc1noc(C2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000583696417 468742223 /nfs/dbraw/zinc/74/22/23/468742223.db2.gz UOGAGHRNQGYXDD-UHFFFAOYSA-N -1 0 332.316 2.368 20 5 EEBDRM COC(=O)CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000592763375 468778573 /nfs/dbraw/zinc/77/85/73/468778573.db2.gz GZIFUSVYIHYGRN-UHFFFAOYSA-N -1 0 344.751 2.368 20 5 EEBDRM COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000595245935 468792234 /nfs/dbraw/zinc/79/22/34/468792234.db2.gz USKAGMACVGNKND-HZRBXJLLSA-N -1 0 336.344 2.367 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC(c3ccon3)CC2)cc([N+](=O)[O-])c1 ZINC000595248346 468792510 /nfs/dbraw/zinc/79/25/10/468792510.db2.gz ZIPBSPHVCACAJB-UHFFFAOYSA-N -1 0 345.311 2.301 20 5 EEBDRM CO[C@@H](CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C1CCCCC1 ZINC000595280320 468799253 /nfs/dbraw/zinc/79/92/53/468799253.db2.gz CAKUIUIMBURGGB-ZDUSSCGKSA-N -1 0 337.376 3.004 20 5 EEBDRM CCc1ccc(S(=O)(=O)N[C@H](CC)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000571527098 468801971 /nfs/dbraw/zinc/80/19/71/468801971.db2.gz GKBNIWQWADKARG-LLVKDONJSA-N -1 0 344.389 2.079 20 5 EEBDRM CCOCCOCCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000584174123 468813049 /nfs/dbraw/zinc/81/30/49/468813049.db2.gz DFLCNENUOZSBSQ-UHFFFAOYSA-N -1 0 346.767 2.079 20 5 EEBDRM CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598478482 468879467 /nfs/dbraw/zinc/87/94/67/468879467.db2.gz GLCXRYJTBSTWNM-XJKSGUPXSA-N -1 0 336.344 2.152 20 5 EEBDRM CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593309664 468934864 /nfs/dbraw/zinc/93/48/64/468934864.db2.gz JTCZNLSBMAHVBJ-UHFFFAOYSA-N -1 0 342.373 2.246 20 5 EEBDRM CCc1ccc(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000598659348 468949734 /nfs/dbraw/zinc/94/97/34/468949734.db2.gz BTXLMJMNTPWMPO-LBPRGKRZSA-N -1 0 338.385 2.047 20 5 EEBDRM O=C([O-])[C@]12CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000598661842 468950043 /nfs/dbraw/zinc/95/00/43/468950043.db2.gz KJPQLJPNNWEDRT-SJKOYZFVSA-N -1 0 347.371 2.110 20 5 EEBDRM CSCC1CCC(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000562553310 468989608 /nfs/dbraw/zinc/98/96/08/468989608.db2.gz XCEQDKKWFSSENY-UHFFFAOYSA-N -1 0 345.446 2.190 20 5 EEBDRM CCC(CC)C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000610873391 469098350 /nfs/dbraw/zinc/09/83/50/469098350.db2.gz AZOMXOUVPVHFTJ-UHFFFAOYSA-N -1 0 349.387 2.021 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000573327829 469108876 /nfs/dbraw/zinc/10/88/76/469108876.db2.gz XGBKOEUSLGYTRY-GFCCVEGCSA-N -1 0 343.343 2.164 20 5 EEBDRM O=C([O-])c1cc(/C=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)ncn1 ZINC000611182779 469186107 /nfs/dbraw/zinc/18/61/07/469186107.db2.gz COKZDXMZBNSNGU-UPHRSURJSA-N -1 0 329.268 2.025 20 5 EEBDRM O=C([O-])C1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000611463820 469255720 /nfs/dbraw/zinc/25/57/20/469255720.db2.gz CHCSCTPXNLLWNH-UHFFFAOYSA-N -1 0 345.355 2.380 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc(C)c(C)o1 ZINC000619507085 469629015 /nfs/dbraw/zinc/62/90/15/469629015.db2.gz AQTVPMOEKXVWEG-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM Cc1sc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000619643685 469656958 /nfs/dbraw/zinc/65/69/58/469656958.db2.gz NJQDJFYGHQKVCL-UHFFFAOYSA-N -1 0 338.345 2.233 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000618020645 469874057 /nfs/dbraw/zinc/87/40/57/469874057.db2.gz SBEZEOUPGVGFGB-SFYZADRCSA-N -1 0 328.346 2.137 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(Cc2cccs2)CC1 ZINC000159904794 534714812 /nfs/dbraw/zinc/71/48/12/534714812.db2.gz IWKWNAANCCVWEF-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1C(=O)[O-] ZINC000738478588 578016667 /nfs/dbraw/zinc/01/66/67/578016667.db2.gz WSUWSPXAXWSAEX-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000766845502 577525771 /nfs/dbraw/zinc/52/57/71/577525771.db2.gz DOHNHUFAUSHHJG-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM COc1c(C)cnc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000770482923 577597251 /nfs/dbraw/zinc/59/72/51/577597251.db2.gz AYWUCBRXBSHWCV-UHFFFAOYSA-N -1 0 331.328 2.251 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000770764918 577603302 /nfs/dbraw/zinc/60/33/02/577603302.db2.gz DNZIOXQNGWGNCG-VIFPVBQESA-N -1 0 344.364 2.365 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]C(=O)CCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000761416050 577683447 /nfs/dbraw/zinc/68/34/47/577683447.db2.gz HQIOTBNBJLOFJS-UHFFFAOYSA-N -1 0 344.389 2.235 20 5 EEBDRM O=C(OCCNc1ncnc2ccccc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000752194028 577767201 /nfs/dbraw/zinc/76/72/01/577767201.db2.gz IPIYLHFCNCXMAT-UHFFFAOYSA-N -1 0 327.300 2.135 20 5 EEBDRM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755638697 577828329 /nfs/dbraw/zinc/82/83/29/577828329.db2.gz GWXDPFICNSXVMH-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000739138262 578040447 /nfs/dbraw/zinc/04/04/47/578040447.db2.gz HSKFCRAVJMZTBU-UHFFFAOYSA-N -1 0 344.389 2.235 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)Cc1cccc(F)c1 ZINC000739402210 578052139 /nfs/dbraw/zinc/05/21/39/578052139.db2.gz FPUSGUZBTDXZEU-SNVBAGLBSA-N -1 0 336.275 2.000 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCOC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000739625305 578061384 /nfs/dbraw/zinc/06/13/84/578061384.db2.gz OLEQCZBNGVYJAW-DIECRNLCSA-N -1 0 336.344 2.300 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2ncc(-c3cccs3)o2)c1 ZINC000740089634 578080396 /nfs/dbraw/zinc/08/03/96/578080396.db2.gz HIPYDJASEVQEDH-UHFFFAOYSA-N -1 0 347.308 2.220 20 5 EEBDRM CC(C)(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)n1cc([N+](=O)[O-])cn1 ZINC000736230117 578188682 /nfs/dbraw/zinc/18/86/82/578188682.db2.gz BMADLQVIBVMSSS-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCC(C)(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657109 578216871 /nfs/dbraw/zinc/21/68/71/578216871.db2.gz OMNPFFSEQMPJBY-LLVKDONJSA-N -1 0 349.387 2.424 20 5 EEBDRM CC[C@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000736942772 578230078 /nfs/dbraw/zinc/23/00/78/578230078.db2.gz DBBMSMKUBMAWCF-SCZZXKLOSA-N -1 0 339.304 2.205 20 5 EEBDRM COc1ccccc1CSc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000737154123 578241114 /nfs/dbraw/zinc/24/11/14/578241114.db2.gz ZZLCRAHJLJQFDD-UHFFFAOYSA-N -1 0 344.356 2.471 20 5 EEBDRM CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)(C)C(=O)[O-] ZINC000737315206 578249868 /nfs/dbraw/zinc/24/98/68/578249868.db2.gz TVXDGTZAULRAHA-UHFFFAOYSA-N -1 0 349.387 2.133 20 5 EEBDRM CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737339213 578251381 /nfs/dbraw/zinc/25/13/81/578251381.db2.gz TUMTWPIWWJMFTH-AWEZNQCLSA-N -1 0 329.312 2.075 20 5 EEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737544422 578262702 /nfs/dbraw/zinc/26/27/02/578262702.db2.gz HZQZTVYHJYOMEC-UHFFFAOYSA-N -1 0 341.323 2.173 20 5 EEBDRM CCOC(=O)c1ccnc(NCC2(C(=O)[O-])CCCC2)c1[N+](=O)[O-] ZINC000829885067 601379221 /nfs/dbraw/zinc/37/92/21/601379221.db2.gz BWCONVYQNVLWOC-UHFFFAOYSA-N -1 0 337.332 2.223 20 5 EEBDRM CCCCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000829340853 601405061 /nfs/dbraw/zinc/40/50/61/601405061.db2.gz UTNVRXJUQULGTF-GFCCVEGCSA-N -1 0 344.389 2.215 20 5 EEBDRM CC(C)[C@H]1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000827702896 601561803 /nfs/dbraw/zinc/56/18/03/601561803.db2.gz CECHVYVBDIZPFZ-AAEUAGOBSA-N -1 0 349.387 2.280 20 5 EEBDRM Cc1cc(F)cc(C(=O)Nc2ncc(C(=O)[O-])s2)c1[N+](=O)[O-] ZINC000832887463 602106985 /nfs/dbraw/zinc/10/69/85/602106985.db2.gz CNDFTEQWCDJRGC-UHFFFAOYSA-N -1 0 325.277 2.449 20 5 EEBDRM O=C([O-])C=Cc1ccc(N[C@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000833197237 602160672 /nfs/dbraw/zinc/16/06/72/602160672.db2.gz NERUJUQLWQKISH-DWMUBGRBSA-N -1 0 328.328 2.385 20 5 EEBDRM Cc1cccc(OS(=O)(=O)c2cccc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000833753088 604530143 /nfs/dbraw/zinc/53/01/43/604530143.db2.gz DNCANPWUKHTFRF-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM C[C@@H]1C[C@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833599044 604718226 /nfs/dbraw/zinc/71/82/26/604718226.db2.gz VSNZLKBQMDYWBS-HTQZYQBOSA-N -1 0 325.277 2.181 20 5 EEBDRM C[C@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CCCC[C@@H]1C(=O)[O-] ZINC000833568738 604894957 /nfs/dbraw/zinc/89/49/57/604894957.db2.gz BMWKVBOVCVPURT-CJNGLKHVSA-N -1 0 336.344 2.123 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000833763972 605269870 /nfs/dbraw/zinc/26/98/70/605269870.db2.gz QEOPKXBPJWXAME-MRXNPFEDSA-N -1 0 344.323 2.175 20 5 EEBDRM CN(CC(F)(F)Br)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000807864568 675859157 /nfs/dbraw/zinc/85/91/57/675859157.db2.gz FMQOQUNVAMJFGB-UHFFFAOYSA-N -1 0 339.092 2.360 20 5 EEBDRM COc1ccccc1OCCN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000342145853 687042971 /nfs/dbraw/zinc/04/29/71/687042971.db2.gz CDCIKTXJGYDOKW-UHFFFAOYSA-N -1 0 346.339 2.460 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000263205833 689487190 /nfs/dbraw/zinc/48/71/90/689487190.db2.gz MYMGMUZIHUUDLX-LLVKDONJSA-N -1 0 338.385 2.244 20 5 EEBDRM CCCOC(=O)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843792415 1188221296 /nfs/dbraw/zinc/22/12/96/1188221296.db2.gz QLOOLTIYIQFZIZ-UHFFFAOYSA-N -1 0 330.724 2.027 20 5 EEBDRM O=C(CCCC1CC1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000813075582 1201099758 /nfs/dbraw/zinc/09/97/58/1201099758.db2.gz DVXUDCSHSVQDNQ-UHFFFAOYSA-N -1 0 340.401 2.164 20 5 EEBDRM O=C([N-]CC1CN(c2ccc([N+](=O)[O-])cc2Cl)C1)C(F)(F)F ZINC000866295522 1201486462 /nfs/dbraw/zinc/48/64/62/1201486462.db2.gz DXQANVGNENLIQH-UHFFFAOYSA-N -1 0 337.685 2.363 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000795614627 1214405329 /nfs/dbraw/zinc/40/53/29/1214405329.db2.gz GJURTYIQFRDRFH-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM CCCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000857035343 1293704284 /nfs/dbraw/zinc/70/42/84/1293704284.db2.gz GBXYBVPWEKVFBF-GFCCVEGCSA-N -1 0 343.405 2.257 20 5 EEBDRM Cc1nn(C)cc1[C@H](C)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227092839 1301683781 /nfs/dbraw/zinc/68/37/81/1301683781.db2.gz QOUQKFPRBLDMPK-VIFPVBQESA-N -1 0 329.316 2.426 20 5 EEBDRM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231219597 1303687372 /nfs/dbraw/zinc/68/73/72/1303687372.db2.gz ARVRVSQQSLHLBP-PELKAZGASA-N -1 0 340.288 2.319 20 5 EEBDRM COc1ccnc(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)c1 ZINC001247988614 1310811050 /nfs/dbraw/zinc/81/10/50/1310811050.db2.gz YVWIQDXVYDQHDA-UHFFFAOYSA-N -1 0 328.284 2.345 20 5 EEBDRM C[C@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000835276163 1314908926 /nfs/dbraw/zinc/90/89/26/1314908926.db2.gz KXBQHDPZWBRGMP-LKFCYVNXSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)ccc1[N+](=O)[O-] ZINC000835750016 1314946403 /nfs/dbraw/zinc/94/64/03/1314946403.db2.gz ZWPXVQGXXQTWSD-UHIISALHSA-N -1 0 338.385 2.151 20 5 EEBDRM C[C@H](NC(=O)C1CCCC1)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837445288 1315082387 /nfs/dbraw/zinc/08/23/87/1315082387.db2.gz UZFUEBLTKPPCFY-JTQLQIEISA-N -1 0 336.344 2.039 20 5 EEBDRM CCC(=O)N1CCCC[C@@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837451754 1315083785 /nfs/dbraw/zinc/08/37/85/1315083785.db2.gz XPCQDRJBIPBKJC-CQSZACIVSA-N -1 0 336.344 2.135 20 5 EEBDRM CNC(=O)c1ccc2c(c1)nc(-c1cccc([N+](=O)[O-])c1[O-])n2C ZINC001251272275 1317442560 /nfs/dbraw/zinc/44/25/60/1317442560.db2.gz SYNIJGYCWMPNDE-UHFFFAOYSA-N -1 0 326.312 2.214 20 5 EEBDRM Cc1cc(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)c([N+](=O)[O-])s1 ZINC001600297820 1350014032 /nfs/dbraw/zinc/01/40/32/1350014032.db2.gz XORAMMWVQUKRAB-UHFFFAOYSA-N -1 0 348.402 2.031 20 5 EEBDRM O=C([O-])c1c(Cl)c(NCCN2CCCOCC2)ccc1[N+](=O)[O-] ZINC001602233079 1350472300 /nfs/dbraw/zinc/47/23/00/1350472300.db2.gz OYOYSFHKSPTWSB-UHFFFAOYSA-N -1 0 343.767 2.081 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)n1 ZINC001607709779 1351544054 /nfs/dbraw/zinc/54/40/54/1351544054.db2.gz OHRGSYYZFHIDMK-UHFFFAOYSA-N -1 0 327.296 2.199 20 5 EEBDRM O=C([O-])C1(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCCC1 ZINC001608316771 1351669692 /nfs/dbraw/zinc/66/96/92/1351669692.db2.gz LTHQVPZSJABVGE-UHFFFAOYSA-N -1 0 338.335 2.428 20 5 EEBDRM O=[N+]([O-])c1cc(OS(=O)(=O)c2cn[n-]c2Cl)ccc1Cl ZINC001309554200 1331634253 /nfs/dbraw/zinc/63/42/53/1331634253.db2.gz BZGWJCFADRXUHY-UHFFFAOYSA-N -1 0 338.128 2.392 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001608670899 1351738435 /nfs/dbraw/zinc/73/84/35/1351738435.db2.gz YXLOVAZIQKGRRR-CYBMUJFWSA-N -1 0 335.360 2.156 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001608811267 1351769253 /nfs/dbraw/zinc/76/92/53/1351769253.db2.gz FFMXKZHUIOFHQO-GZBFAFLISA-N -1 0 347.371 2.205 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cn1 ZINC001608884206 1351785960 /nfs/dbraw/zinc/78/59/60/1351785960.db2.gz BQTAQVJFFUZQGI-UHFFFAOYSA-N -1 0 340.295 2.099 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)o1 ZINC001608884484 1351786768 /nfs/dbraw/zinc/78/67/68/1351786768.db2.gz WCUOOZIJGDQJAX-UHFFFAOYSA-N -1 0 329.268 2.297 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)c1 ZINC001608914505 1351792768 /nfs/dbraw/zinc/79/27/68/1351792768.db2.gz UKNFJNWLPUTVLF-CQSZACIVSA-N -1 0 345.359 2.112 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@H](CO)c2cccc(F)c2)c1 ZINC001608914564 1351792937 /nfs/dbraw/zinc/79/29/37/1351792937.db2.gz XRAQSOJWCMXNPS-CQSZACIVSA-N -1 0 334.303 2.255 20 5 EEBDRM O=C([O-])c1csc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001608992738 1351810114 /nfs/dbraw/zinc/81/01/14/1351810114.db2.gz JPJDIROGFOEHOX-UHFFFAOYSA-N -1 0 327.339 2.328 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001327865098 1334356877 /nfs/dbraw/zinc/35/68/77/1334356877.db2.gz CPJRXPGGJVSRGA-QMMMGPOBSA-N -1 0 332.353 2.082 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001609770730 1352080855 /nfs/dbraw/zinc/08/08/55/1352080855.db2.gz CORGPPQPTHSDKB-BJDJZHNGSA-N -1 0 349.387 2.278 20 5 EEBDRM C[C@H]1SCCN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2C)[C@@H]1C ZINC001338405988 1336856742 /nfs/dbraw/zinc/85/67/42/1336856742.db2.gz FEXKUEOLHMEMOM-NXEZZACHSA-N -1 0 349.416 2.426 20 5 EEBDRM C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)CC(C)(C)O1 ZINC001345680526 1337458035 /nfs/dbraw/zinc/45/80/35/1337458035.db2.gz JHZUSZBYCGVFPS-SNVBAGLBSA-N -1 0 347.375 2.100 20 5 EEBDRM Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000848637762 1338734290 /nfs/dbraw/zinc/73/42/90/1338734290.db2.gz MIGMEBBMQXQJCC-JTQLQIEISA-N -1 0 341.320 2.072 20 5 EEBDRM Cc1c(NC(=O)N[C@H]2CSC[C@@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610423690 1352220405 /nfs/dbraw/zinc/22/04/05/1352220405.db2.gz CPHZEJHHJWPWBA-CPCISQLKSA-N -1 0 339.373 2.474 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001610559073 1352244489 /nfs/dbraw/zinc/24/44/89/1352244489.db2.gz BRIXFYUJRJJICN-MRVPVSSYSA-N -1 0 337.288 2.085 20 5 EEBDRM Cc1ncc2c(n1)CC[C@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC001610563640 1352245714 /nfs/dbraw/zinc/24/57/14/1352245714.db2.gz AJZHPJFAWDUMSI-LBPRGKRZSA-N -1 0 328.328 2.361 20 5 EEBDRM Cc1oc(CNc2cc([N+](=O)[O-])ccc2NCCO)cc1C(=O)[O-] ZINC001610586182 1352249580 /nfs/dbraw/zinc/24/95/80/1352249580.db2.gz UPGAOWGEVMFAIR-UHFFFAOYSA-N -1 0 335.316 2.211 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)cc([N+](=O)[O-])c1 ZINC001610809496 1352278673 /nfs/dbraw/zinc/27/86/73/1352278673.db2.gz OFWYUYSLSUTTKV-PBHICJAKSA-N -1 0 346.339 2.077 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)C1CC1 ZINC001610875626 1352289216 /nfs/dbraw/zinc/28/92/16/1352289216.db2.gz MIXZANMIRJSFBP-ZDUSSCGKSA-N -1 0 331.284 2.005 20 5 EEBDRM O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1[N-]c1ccn(-c2ccccc2)n1 ZINC001593473297 1349808233 /nfs/dbraw/zinc/80/82/33/1349808233.db2.gz VKCVUBHYHMSVHV-UHFFFAOYSA-N -1 0 349.314 2.099 20 5 EEBDRM O=[N+]([O-])c1cn(CCCc2ccccc2Cl)nc1-c1nnn[n-]1 ZINC001593486720 1349815273 /nfs/dbraw/zinc/81/52/73/1349815273.db2.gz IZUFVIKDCNWGHH-UHFFFAOYSA-N -1 0 333.739 2.258 20 5 EEBDRM Cc1c(NC(=O)[C@@H](C)Oc2cccnc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600030699 1349957960 /nfs/dbraw/zinc/95/79/60/1349957960.db2.gz KNROPIKGHIKSPU-SNVBAGLBSA-N -1 0 345.311 2.402 20 5 EEBDRM Cc1c(NC(=O)NC[C@@](C)(O)C(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600040858 1349960141 /nfs/dbraw/zinc/96/01/41/1349960141.db2.gz VEDHUKQQEUJNGY-OAHLLOKOSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1c(NC(=O)N[C@H]2CCn3ccnc32)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039719 1349960193 /nfs/dbraw/zinc/96/01/93/1349960193.db2.gz DFROWKHRDLGMLI-JTQLQIEISA-N -1 0 345.315 2.064 20 5 EEBDRM Cc1cc(=O)[nH]c(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])n1 ZINC001600064296 1349964149 /nfs/dbraw/zinc/96/41/49/1349964149.db2.gz KWPHZZMWUCHXQU-UHFFFAOYSA-N -1 0 338.707 2.363 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc(CCO)cc2)n1 ZINC001600105704 1349972383 /nfs/dbraw/zinc/97/23/83/1349972383.db2.gz IHOBUYAUAOENCH-UHFFFAOYSA-N -1 0 331.328 2.143 20 5 EEBDRM Cc1cc(C)nc(C2CN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001600181642 1349987185 /nfs/dbraw/zinc/98/71/85/1349987185.db2.gz KBQJDNZYJCOLQN-UHFFFAOYSA-N -1 0 342.355 2.233 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC001600304875 1350015697 /nfs/dbraw/zinc/01/56/97/1350015697.db2.gz RQEOYDCOPDHUOA-AWEZNQCLSA-N -1 0 329.312 2.244 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)n1 ZINC001600304337 1350015757 /nfs/dbraw/zinc/01/57/57/1350015757.db2.gz NHTLSJFEPCAYMX-UHFFFAOYSA-N -1 0 333.275 2.317 20 5 EEBDRM Cc1oc(COC(=O)CNc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001600853396 1350152977 /nfs/dbraw/zinc/15/29/77/1350152977.db2.gz QSUWHZXDAVSSKX-UHFFFAOYSA-N -1 0 334.284 2.350 20 5 EEBDRM Cn1c(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 ZINC001600918309 1350168276 /nfs/dbraw/zinc/16/82/76/1350168276.db2.gz DVYTVDYDDNBIRP-UHFFFAOYSA-N -1 0 327.300 2.187 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001600970239 1350179127 /nfs/dbraw/zinc/17/91/27/1350179127.db2.gz CWGFCPQRPHAUAO-UHFFFAOYSA-N -1 0 333.300 2.039 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001600970238 1350179277 /nfs/dbraw/zinc/17/92/77/1350179277.db2.gz CVSKLEHNEGKVCX-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM Cn1nc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1C1CC1 ZINC001601010681 1350189338 /nfs/dbraw/zinc/18/93/38/1350189338.db2.gz ADNVFKQXPUGDPR-UHFFFAOYSA-N -1 0 330.344 2.445 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001601397562 1350273987 /nfs/dbraw/zinc/27/39/87/1350273987.db2.gz DHTCWTAALFWDTQ-OAHLLOKOSA-N -1 0 342.307 2.085 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001601858070 1350382125 /nfs/dbraw/zinc/38/21/25/1350382125.db2.gz WZVUEVATDCHSEC-SNVBAGLBSA-N -1 0 330.793 2.498 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NC[C@H]2CN(C3CC3)C(=O)O2)c([N+](=O)[O-])c1 ZINC001601881543 1350389325 /nfs/dbraw/zinc/38/93/25/1350389325.db2.gz CXJVIJKKWHWCRV-QSLRECBCSA-N -1 0 347.327 2.088 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC001601892584 1350391268 /nfs/dbraw/zinc/39/12/68/1350391268.db2.gz XXVBTZGYAPZEOG-VIFPVBQESA-N -1 0 325.296 2.356 20 5 EEBDRM O=C([O-])CCCONC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC001601996362 1350413574 /nfs/dbraw/zinc/41/35/74/1350413574.db2.gz RCMGQFLFWNGDSX-UHFFFAOYSA-N -1 0 340.335 2.208 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001602185400 1350460153 /nfs/dbraw/zinc/46/01/53/1350460153.db2.gz IJSMEGKSUVONIQ-VHSXEESVSA-N -1 0 338.747 2.431 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1C1CC1 ZINC001602185882 1350460816 /nfs/dbraw/zinc/46/08/16/1350460816.db2.gz KWNLQYZPQVYCLY-WDEREUQCSA-N -1 0 338.747 2.431 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(C[C@@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC001602298819 1350488162 /nfs/dbraw/zinc/48/81/62/1350488162.db2.gz GWWNPMCKZNFOMQ-ZFWWWQNUSA-N -1 0 344.323 2.375 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC001602322778 1350493929 /nfs/dbraw/zinc/49/39/29/1350493929.db2.gz OTJNBGSQSVYBGV-UHFFFAOYSA-N -1 0 337.719 2.247 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cccn3nccc23)cc1[N+](=O)[O-] ZINC001602386586 1350508084 /nfs/dbraw/zinc/50/80/84/1350508084.db2.gz OCQZHVZOCBJNOV-UHFFFAOYSA-N -1 0 327.252 2.160 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2CC(F)(F)F)n1 ZINC001602405039 1350512090 /nfs/dbraw/zinc/51/20/90/1350512090.db2.gz IQUXIRNNGGLCJQ-QMMMGPOBSA-N -1 0 348.281 2.127 20 5 EEBDRM O=C([O-])c1ccnc(Oc2ccc3c(=O)cc[nH]c3c2)c1[N+](=O)[O-] ZINC001602484535 1350529988 /nfs/dbraw/zinc/52/99/88/1350529988.db2.gz CZAJQQWSBFBVDN-UHFFFAOYSA-N -1 0 327.252 2.322 20 5 EEBDRM O=C([O-])c1coc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC001602550550 1350544044 /nfs/dbraw/zinc/54/40/44/1350544044.db2.gz IXYMULVGAYAJLC-UHFFFAOYSA-N -1 0 348.267 2.300 20 5 EEBDRM O=C([O-])c1coc(/C=C\C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001602554180 1350545014 /nfs/dbraw/zinc/54/50/14/1350545014.db2.gz ZFYRBTQJGYFTKD-ARJAWSKDSA-N -1 0 342.307 2.484 20 5 EEBDRM O=C([O-])c1nn(Cc2cc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC001602586954 1350551588 /nfs/dbraw/zinc/55/15/88/1350551588.db2.gz XWWLUDUOZQXOPX-UHFFFAOYSA-N -1 0 332.247 2.332 20 5 EEBDRM CC(=O)N1CCC[C@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001603020680 1350622937 /nfs/dbraw/zinc/62/29/37/1350622937.db2.gz OQZKDSJEFREXSE-BRLPQQTGSA-N -1 0 347.371 2.363 20 5 EEBDRM C[C@@H](CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CC1)C(=O)[O-] ZINC001604150105 1350874938 /nfs/dbraw/zinc/87/49/38/1350874938.db2.gz RSCNJXMKOUXSDY-ZETCQYMHSA-N -1 0 328.271 2.198 20 5 EEBDRM C[C@](NC(=O)Cc1ccccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604277798 1350907925 /nfs/dbraw/zinc/90/79/25/1350907925.db2.gz OZEIOSXKONYKFW-QGZVFWFLSA-N -1 0 328.324 2.254 20 5 EEBDRM C[C@@]12COC[C@@H]1CN(c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC001604606932 1350968802 /nfs/dbraw/zinc/96/88/02/1350968802.db2.gz VJJBNRBDQKFQLL-RMLUDKJBSA-N -1 0 326.736 2.419 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccncc1C(=O)[O-] ZINC001605062085 1351069703 /nfs/dbraw/zinc/06/97/03/1351069703.db2.gz XHDPQBIQFKAFDG-LBPRGKRZSA-N -1 0 343.339 2.317 20 5 EEBDRM CCCN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001605298839 1351129102 /nfs/dbraw/zinc/12/91/02/1351129102.db2.gz WOUITYYGUVHLLU-JTQLQIEISA-N -1 0 326.324 2.378 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001605776232 1351222841 /nfs/dbraw/zinc/22/28/41/1351222841.db2.gz URJYCIORRQVROX-JOYOIKCWSA-N -1 0 346.343 2.072 20 5 EEBDRM Cc1cccc(CCNc2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)c1 ZINC001605913789 1351252254 /nfs/dbraw/zinc/25/22/54/1351252254.db2.gz ZHSBGMYBRZFJAH-UHFFFAOYSA-N -1 0 339.359 2.320 20 5 EEBDRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001606155213 1351278833 /nfs/dbraw/zinc/27/88/33/1351278833.db2.gz ZXHAFNCBXCQSQD-UHFFFAOYSA-N -1 0 343.339 2.279 20 5 EEBDRM COC(=O)N1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001606490493 1351311106 /nfs/dbraw/zinc/31/11/06/1351311106.db2.gz QAFFWHYRFQMDAD-UHFFFAOYSA-N -1 0 337.332 2.244 20 5 EEBDRM COCCCCN(C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001606869654 1351368554 /nfs/dbraw/zinc/36/85/54/1351368554.db2.gz OUOOZGXCKOXYOV-UHFFFAOYSA-N -1 0 339.348 2.492 20 5 EEBDRM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@]1(C)C(=O)[O-] ZINC001607473986 1351499236 /nfs/dbraw/zinc/49/92/36/1351499236.db2.gz VTHNZEAXBJXICM-RTHLEPHNSA-N -1 0 326.736 2.431 20 5 EEBDRM Cc1c(CNC(=O)Nc2ccc(C(=O)[O-])cn2)cccc1[N+](=O)[O-] ZINC001607528161 1351511009 /nfs/dbraw/zinc/51/10/09/1351511009.db2.gz BEBBGICRPALDFJ-UHFFFAOYSA-N -1 0 330.300 2.318 20 5 EEBDRM Cc1c(NC(=O)N[C@H](C)Cn2ccnc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607542676 1351513102 /nfs/dbraw/zinc/51/31/02/1351513102.db2.gz IQSRGMGWZBEAQA-SECBINFHSA-N -1 0 347.331 2.008 20 5 EEBDRM Cc1c(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cnn1C ZINC001607546462 1351514288 /nfs/dbraw/zinc/51/42/88/1351514288.db2.gz BYIFVQWAGFOWJK-UHFFFAOYSA-N -1 0 333.304 2.287 20 5 EEBDRM Cc1cc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)cc([N+](=O)[O-])c1 ZINC001607574608 1351518481 /nfs/dbraw/zinc/51/84/81/1351518481.db2.gz CNDJSDZBEZISTA-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1cnn([C@H]2CC[N@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)c1 ZINC001607917145 1351585047 /nfs/dbraw/zinc/58/50/47/1351585047.db2.gz VQNZACJGJCIYAZ-AWEZNQCLSA-N -1 0 330.344 2.245 20 5 EEBDRM Cc1ncc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1C(=O)[O-] ZINC001607980756 1351597190 /nfs/dbraw/zinc/59/71/90/1351597190.db2.gz JTQYMPTUWIWGNN-UHFFFAOYSA-N -1 0 329.312 2.486 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001608122543 1351629348 /nfs/dbraw/zinc/62/93/48/1351629348.db2.gz JGCJGDOMOUUVOY-UHFFFAOYSA-N -1 0 329.312 2.225 20 5 EEBDRM Cn1ncc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C(F)F ZINC001608160209 1351637651 /nfs/dbraw/zinc/63/76/51/1351637651.db2.gz ZPJZAHYHPOYNKM-UHFFFAOYSA-N -1 0 340.242 2.216 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001608273589 1351660797 /nfs/dbraw/zinc/66/07/97/1351660797.db2.gz SIAGJLAPDUKBQK-NSHDSACASA-N -1 0 335.360 2.188 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001608273779 1351660873 /nfs/dbraw/zinc/66/08/73/1351660873.db2.gz ZKYYFPMPDPWFII-UHFFFAOYSA-N -1 0 327.296 2.078 20 5 EEBDRM C[C@@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000835077571 1372588454 /nfs/dbraw/zinc/58/84/54/1372588454.db2.gz SLUHFCAOLBSDRK-OTYXRUKQSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@H]1CC=C(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000835077867 1372588819 /nfs/dbraw/zinc/58/88/19/1372588819.db2.gz WXZCKTJXXKCPHH-VIFPVBQESA-N -1 0 342.348 2.285 20 5 EEBDRM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)no1 ZINC000809809988 783379309 /nfs/dbraw/zinc/37/93/09/783379309.db2.gz HFJOAWJBDLMSDN-UHFFFAOYSA-N -1 0 349.727 2.162 20 5 EEBDRM CO[C@]1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000906153759 783723692 /nfs/dbraw/zinc/72/36/92/783723692.db2.gz VJTNCVJPYKPXFP-GFCCVEGCSA-N -1 0 334.250 2.451 20 5 EEBDRM CCc1ccc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000804157807 785593268 /nfs/dbraw/zinc/59/32/68/785593268.db2.gz FYOWLPBOEZSFBC-MRXNPFEDSA-N -1 0 330.340 2.326 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000844214587 788932990 /nfs/dbraw/zinc/93/29/90/788932990.db2.gz IDRUKTPVBNFNGH-ZIAGYGMSSA-N -1 0 334.372 2.475 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@@H]2CCn3ccnc3C2)c([N+](=O)[O-])c1 ZINC000844215501 788934431 /nfs/dbraw/zinc/93/44/31/788934431.db2.gz QMXXUXSYXCXUNP-DTRQGZQOSA-N -1 0 328.328 2.316 20 5 EEBDRM O=C([O-])c1cnc(N[C@@H](CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000844216166 788934781 /nfs/dbraw/zinc/93/47/81/788934781.db2.gz BIWQLYKBZDDWMB-ZDUSSCGKSA-N -1 0 331.328 2.094 20 5 EEBDRM CCOC(=O)c1ccnnc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504002 797784988 /nfs/dbraw/zinc/78/49/88/797784988.db2.gz SKQQRMRWZLAWRA-UHFFFAOYSA-N -1 0 332.272 2.003 20 5 EEBDRM O=C([O-])c1cccc(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001595242214 949477211 /nfs/dbraw/zinc/47/72/11/949477211.db2.gz QYUGAUKTDFYFQD-UHFFFAOYSA-N -1 0 332.224 2.420 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@@H](C)C(=O)[O-] ZINC001592816014 951369276 /nfs/dbraw/zinc/36/92/76/951369276.db2.gz PYADDULJROQZRM-VIFPVBQESA-N -1 0 325.321 2.320 20 5 EEBDRM O=C([O-])Cn1cc(Nc2cccc(Br)c2[N+](=O)[O-])cn1 ZINC001595147454 952119431 /nfs/dbraw/zinc/11/94/31/952119431.db2.gz CKZGQAOJDICQFX-UHFFFAOYSA-N -1 0 341.121 2.382 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001593875174 955658229 /nfs/dbraw/zinc/65/82/29/955658229.db2.gz XWUCEBAZCMFLMK-QWHCGFSZSA-N -1 0 348.355 2.237 20 5 EEBDRM O=C([O-])[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001594696970 956778165 /nfs/dbraw/zinc/77/81/65/956778165.db2.gz IFRBLTSOSLLSBH-HNNXBMFYSA-N -1 0 347.302 2.088 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC001594050506 957981163 /nfs/dbraw/zinc/98/11/63/957981163.db2.gz LMSAXMYFYBXRAR-BDAKNGLRSA-N -1 0 340.307 2.068 20 5 EEBDRM Cc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C(=O)[O-])c1 ZINC001594394088 958754196 /nfs/dbraw/zinc/75/41/96/958754196.db2.gz QGYAEQJRZPJYSK-CQSZACIVSA-N -1 0 347.302 2.180 20 5 EEBDRM C[C@@H](C(=O)[O-])C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001588580689 959258612 /nfs/dbraw/zinc/25/86/12/959258612.db2.gz TYCVVQWDVKPHNY-LURJTMIESA-N -1 0 332.106 2.121 20 5 EEBDRM C[C@H]1CCCN(C(=O)CSc2ccccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC001573726088 960406712 /nfs/dbraw/zinc/40/67/12/960406712.db2.gz JXIHCKYGYXEVPR-HZMBPMFUSA-N -1 0 338.385 2.399 20 5 EEBDRM O=C([O-])CN(Cc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000236429814 960587449 /nfs/dbraw/zinc/58/74/49/960587449.db2.gz BCUIVFOCKWCVFQ-UHFFFAOYSA-N -1 0 329.150 2.406 20 5 EEBDRM CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(C)(C)CC(=O)[O-] ZINC001347928039 962432638 /nfs/dbraw/zinc/43/26/38/962432638.db2.gz CEOBNCGTEZREPT-UHFFFAOYSA-N -1 0 346.343 2.106 20 5 EEBDRM COc1cc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC001574185670 962829482 /nfs/dbraw/zinc/82/94/82/962829482.db2.gz YUAVRCXYVAJRLH-GXSJLCMTSA-N -1 0 326.324 2.285 20 5 EEBDRM O=C([O-])[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC001605900638 972726650 /nfs/dbraw/zinc/72/66/50/972726650.db2.gz FDFNPIRHOIXIIL-SNVBAGLBSA-N -1 0 330.243 2.246 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001604833367 974074549 /nfs/dbraw/zinc/07/45/49/974074549.db2.gz BHAZFHWBJIHSEK-DAXSKMNVSA-N -1 0 346.295 2.224 20 5 EEBDRM CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001603862433 974368151 /nfs/dbraw/zinc/36/81/51/974368151.db2.gz RAWZLDBIHUBJDW-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(=O)[O-])on1 ZINC001591672547 975436344 /nfs/dbraw/zinc/43/63/44/975436344.db2.gz YQPZITCWFMOUBX-UHFFFAOYSA-N -1 0 334.288 2.354 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1[N+](=O)[O-] ZINC001591920808 976389575 /nfs/dbraw/zinc/38/95/75/976389575.db2.gz GGOSVOXGLJJUKH-JTQLQIEISA-N -1 0 338.364 2.158 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)[O-] ZINC001592574244 978470825 /nfs/dbraw/zinc/47/08/25/978470825.db2.gz OOZMOCJRHFWGJC-ZETCQYMHSA-N -1 0 334.250 2.406 20 5 EEBDRM C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ncc(C(=O)[O-])s1 ZINC001593040136 980322680 /nfs/dbraw/zinc/32/26/80/980322680.db2.gz NCJRBZVQFPTGLC-MRVPVSSYSA-N -1 0 335.341 2.169 20 5 EEBDRM CCCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H](C)C(=O)[O-] ZINC001595830311 982717645 /nfs/dbraw/zinc/71/76/45/982717645.db2.gz NSMMNDFKWXFYIS-NSHDSACASA-N -1 0 346.343 2.106 20 5 EEBDRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC001595831974 982724292 /nfs/dbraw/zinc/72/42/92/982724292.db2.gz UBNQRIMPWZYXDQ-NSHDSACASA-N -1 0 344.389 2.085 20 5 EEBDRM CCCn1cc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])nn1 ZINC001596116491 983448205 /nfs/dbraw/zinc/44/82/05/983448205.db2.gz GOAGQXWSHGXPDO-GQCTYLIASA-N -1 0 331.332 2.306 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001596305769 983734268 /nfs/dbraw/zinc/73/42/68/983734268.db2.gz MBXLHXYZHZKMLB-UHFFFAOYSA-N -1 0 332.715 2.253 20 5 EEBDRM CC(=O)N(C)c1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001589046120 985117899 /nfs/dbraw/zinc/11/78/99/985117899.db2.gz JAVPXEBZDJQJTM-UHFFFAOYSA-N -1 0 344.327 2.283 20 5 EEBDRM CCOc1cc(C(=O)O[C@H](CC)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC001597029136 986441978 /nfs/dbraw/zinc/44/19/78/986441978.db2.gz XQKJHBLWBPGDIH-SNVBAGLBSA-N -1 0 327.289 2.022 20 5 EEBDRM C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC001594583264 986448307 /nfs/dbraw/zinc/44/83/07/986448307.db2.gz FPVWIHPRGGHGPO-OIBJUYFYSA-N -1 0 349.265 2.234 20 5 EEBDRM C[C@@H](C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001589429932 986713005 /nfs/dbraw/zinc/71/30/05/986713005.db2.gz OOUMCEKFUDYGFQ-PXTZTZFBSA-N -1 0 336.319 2.207 20 5 EEBDRM CCc1cc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC001597483036 987983953 /nfs/dbraw/zinc/98/39/53/987983953.db2.gz DMJPQQXLIKZCRZ-NWDGAFQWSA-N -1 0 343.339 2.177 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001599822020 988531733 /nfs/dbraw/zinc/53/17/33/988531733.db2.gz BGWRLWFSBGABCS-MRVPVSSYSA-N -1 0 334.300 2.155 20 5 EEBDRM CC(C)[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC001591045499 991420405 /nfs/dbraw/zinc/42/04/05/991420405.db2.gz ILNMNNCXDAOYAH-ZDUSSCGKSA-N -1 0 333.300 2.047 20 5 EEBDRM CC(C)[C@]1(C)C[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001591062021 991506110 /nfs/dbraw/zinc/50/61/10/991506110.db2.gz RIEPALYXXVZLSV-OCCSQVGLSA-N -1 0 342.373 2.006 20 5 EEBDRM CC(C)CN(CC(=O)[O-])Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001591303325 992253036 /nfs/dbraw/zinc/25/30/36/992253036.db2.gz VFOXISUIBFPCNS-UHFFFAOYSA-N -1 0 334.332 2.187 20 5 EEBDRM CC(C)C[C@H](NC(=O)CNc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001591462403 992573392 /nfs/dbraw/zinc/57/33/92/992573392.db2.gz JHFZPKQDHFLQBY-JTQLQIEISA-N -1 0 343.767 2.276 20 5 EEBDRM CN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC001598519721 992664476 /nfs/dbraw/zinc/66/44/76/992664476.db2.gz BONFBQIDILVWQJ-UHFFFAOYSA-N -1 0 332.312 2.400 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(CC(=O)[O-])c1 ZINC001598531154 992782072 /nfs/dbraw/zinc/78/20/72/992782072.db2.gz XFFOGFPCRZHMOJ-UHFFFAOYSA-N -1 0 328.324 2.494 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CC[C@H](C(=O)[O-])[C@H]2C)c([N+](=O)[O-])c1 ZINC001591657274 992989805 /nfs/dbraw/zinc/98/98/05/992989805.db2.gz LGLDLZDLOYRKBI-PWSUYJOCSA-N -1 0 335.360 2.032 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CC[C@@H](C(=O)[O-])[C@H]2C)c([N+](=O)[O-])c1 ZINC001591657275 992989851 /nfs/dbraw/zinc/98/98/51/992989851.db2.gz LGLDLZDLOYRKBI-ZYHUDNBSSA-N -1 0 335.360 2.032 20 5 EEBDRM COc1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001599593053 993713362 /nfs/dbraw/zinc/71/33/62/993713362.db2.gz PTMZRAIAOJPQDQ-QFYYESIMSA-N -1 0 349.343 2.322 20 5 EEBDRM C[C@@](NC(=O)[C@@H]1C[C@H]1C(F)(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593139384 993915859 /nfs/dbraw/zinc/91/58/59/993915859.db2.gz XWTMOVOCSDTDGB-BREBYQMCSA-N -1 0 346.261 2.209 20 5 EEBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)c1nncn1C ZINC001593366230 995050169 /nfs/dbraw/zinc/05/01/69/995050169.db2.gz VLTLODRDRBOOQM-LURJTMIESA-N -1 0 325.712 2.248 20 5 EEBDRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(N)c1F ZINC001599485810 996847061 /nfs/dbraw/zinc/84/70/61/996847061.db2.gz HWVNZJGIPASLOB-UHFFFAOYSA-N -1 0 349.274 2.275 20 5 EEBDRM C[C@]1(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-] ZINC001594052721 997761867 /nfs/dbraw/zinc/76/18/67/997761867.db2.gz KGYCDNXUPLIGBQ-ZBEGNZNMSA-N -1 0 338.335 2.426 20 5 EEBDRM C[C@]1(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCCC[C@@H]1C(=O)[O-] ZINC001594056160 997795909 /nfs/dbraw/zinc/79/59/09/997795909.db2.gz NVXCORKFKVGTEF-PSLIRLAXSA-N -1 0 339.323 2.079 20 5 EEBDRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])nc2)c([N+](=O)[O-])cc1F ZINC001599355943 998179127 /nfs/dbraw/zinc/17/91/27/998179127.db2.gz PRZZZRRCHPPCNP-UHFFFAOYSA-N -1 0 335.247 2.088 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC001594170401 998654182 /nfs/dbraw/zinc/65/41/82/998654182.db2.gz DDPXVCPFENCATP-WCQYABFASA-N -1 0 347.371 2.130 20 5 EEBDRM COC(=O)c1cnc(NCCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001599009748 998887561 /nfs/dbraw/zinc/88/75/61/998887561.db2.gz VCQYVXIYRWBGJP-UHFFFAOYSA-N -1 0 345.311 2.129 20 5 EEBDRM CO[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599057837 999243140 /nfs/dbraw/zinc/24/31/40/999243140.db2.gz INEJAZDZQUWIFC-HNNXBMFYSA-N -1 0 344.323 2.489 20 5 EEBDRM C[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001594359243 999357364 /nfs/dbraw/zinc/35/73/64/999357364.db2.gz CONLPQYZQREVJD-NXEZZACHSA-N -1 0 342.373 2.008 20 5 EEBDRM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1nc2c(s1)CCC2 ZINC001255792647 1126160279 /nfs/dbraw/zinc/16/02/79/1126160279.db2.gz CNMHRAOASPEXOT-ZDUSSCGKSA-N -1 0 347.396 2.326 20 5 EEBDRM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1nc2c(s1)CCC2 ZINC001324575064 1126172253 /nfs/dbraw/zinc/17/22/53/1126172253.db2.gz LAJVPDUFLPQRDY-LBPRGKRZSA-N -1 0 347.396 2.326 20 5 EEBDRM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000263343978 296073109 /nfs/dbraw/zinc/07/31/09/296073109.db2.gz OCKXXFCNJOJOGH-IJLUTSLNSA-N -1 0 335.360 2.408 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(CC(C)C)o1 ZINC000194857087 240743395 /nfs/dbraw/zinc/74/33/95/240743395.db2.gz PQFPZKWCQBQZML-UHFFFAOYSA-N -1 0 340.361 2.286 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(NC(N)=O)cc1 ZINC000357605595 296105398 /nfs/dbraw/zinc/10/53/98/296105398.db2.gz QBBASVBAWXBDRZ-SECBINFHSA-N -1 0 344.327 2.282 20 5 EEBDRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000455909543 244105910 /nfs/dbraw/zinc/10/59/10/244105910.db2.gz ZWMSBYSQZFLERG-UHFFFAOYSA-N -1 0 344.323 2.322 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H](O)Cc1ccccc1 ZINC000163666292 255809826 /nfs/dbraw/zinc/80/98/26/255809826.db2.gz LAQHKOGEIOCBDH-XHDPSFHLSA-N -1 0 330.340 2.022 20 5 EEBDRM Cc1cc(C2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000273671948 256316949 /nfs/dbraw/zinc/31/69/49/256316949.db2.gz XQWMDOUHPQUJFX-UHFFFAOYSA-N -1 0 330.344 2.352 20 5 EEBDRM CO[C@H](C)c1nc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cs1 ZINC000273402297 256293320 /nfs/dbraw/zinc/29/33/20/256293320.db2.gz IXFCYLLQMIIKMV-MRVPVSSYSA-N -1 0 337.357 2.394 20 5 EEBDRM CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262897007 152337028 /nfs/dbraw/zinc/33/70/28/152337028.db2.gz PBXJDIKJMQUYQX-PELKAZGASA-N -1 0 344.751 2.241 20 5 EEBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000261610820 160401708 /nfs/dbraw/zinc/40/17/08/160401708.db2.gz DRSVIZJKDILVLR-GFCCVEGCSA-N -1 0 336.344 2.220 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000327392495 160544644 /nfs/dbraw/zinc/54/46/44/160544644.db2.gz SACXZGKPIJJADV-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM O=C([O-])c1cccc(CCNC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000327398811 160544899 /nfs/dbraw/zinc/54/48/99/160544899.db2.gz JWBHUONVBKTRQN-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM CO[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121004207 159398657 /nfs/dbraw/zinc/39/86/57/159398657.db2.gz FBRQBTDAQOVTML-GXTWGEPZSA-N -1 0 342.417 2.448 20 5 EEBDRM O=C([O-])c1ccc(CCNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000238079244 160227835 /nfs/dbraw/zinc/22/78/35/160227835.db2.gz NKQHCFMNZVXWRQ-UHFFFAOYSA-N -1 0 343.339 2.064 20 5 EEBDRM C[C@H](N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000164881066 226103572 /nfs/dbraw/zinc/10/35/72/226103572.db2.gz ADNMLPYPCRZDAU-VIFPVBQESA-N -1 0 347.293 2.009 20 5 EEBDRM C[C@H]1CCCCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000274797601 269054053 /nfs/dbraw/zinc/05/40/53/269054053.db2.gz RKQZBEBKYPFGHR-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM CCOC(=O)C[C@](C)(NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000274935569 269076459 /nfs/dbraw/zinc/07/64/59/269076459.db2.gz POUOUKDKQIUQNV-INIZCTEOSA-N -1 0 338.360 2.398 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000287676495 274982764 /nfs/dbraw/zinc/98/27/64/274982764.db2.gz CGMLXFGOYXOLLF-CYBMUJFWSA-N -1 0 348.277 2.220 20 5 EEBDRM CC[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000362745467 288030113 /nfs/dbraw/zinc/03/01/13/288030113.db2.gz BZUQBSGDSPBIGY-YPMHNXCESA-N -1 0 349.387 2.424 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)c1 ZINC000263013167 295253524 /nfs/dbraw/zinc/25/35/24/295253524.db2.gz XJVGYMDPOLWSTK-MRXNPFEDSA-N -1 0 336.344 2.176 20 5 EEBDRM O=C1NCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000339038910 304672564 /nfs/dbraw/zinc/67/25/64/304672564.db2.gz FSYBNNRYIBKKNF-CQSZACIVSA-N -1 0 333.369 2.035 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cnc2c(c1)COCC2 ZINC000378476289 302051096 /nfs/dbraw/zinc/05/10/96/302051096.db2.gz QTQWYABCKVZHPW-UHFFFAOYSA-N -1 0 349.368 2.172 20 5 EEBDRM COC(=O)c1cnc([N-]c2cnn(-c3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000302784480 311550530 /nfs/dbraw/zinc/55/05/30/311550530.db2.gz UUBQIDQSISIWDS-UHFFFAOYSA-N -1 0 340.299 2.101 20 5 EEBDRM Cc1c(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000331921920 311924135 /nfs/dbraw/zinc/92/41/35/311924135.db2.gz OLMRRJONPXHFHA-LBPRGKRZSA-N -1 0 331.332 2.094 20 5 EEBDRM Cc1cnc(N2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)s1 ZINC000332464769 312011540 /nfs/dbraw/zinc/01/15/40/312011540.db2.gz RNVPPPDIQNKOHK-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cnoc2C2CC2)ccc1[N+](=O)[O-] ZINC000414390465 313009898 /nfs/dbraw/zinc/00/98/98/313009898.db2.gz XPSOAGVQEADGPE-UHFFFAOYSA-N -1 0 339.329 2.270 20 5 EEBDRM COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1NC(N)=O ZINC000436796418 314999186 /nfs/dbraw/zinc/99/91/86/314999186.db2.gz JUTNIBNAKVTDDE-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM O=C(Nc1cc(CSCCO)ccn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436878899 315008960 /nfs/dbraw/zinc/00/89/60/315008960.db2.gz VKXBRULKISJEPT-UHFFFAOYSA-N -1 0 349.368 2.173 20 5 EEBDRM COC(=O)c1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436948520 315014774 /nfs/dbraw/zinc/01/47/74/315014774.db2.gz HLYKUPHOZJMBLS-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM O=C(Nc1cccc(N2CCNC2=O)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436974122 315018922 /nfs/dbraw/zinc/01/89/22/315018922.db2.gz WLEFGASRYBSILA-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM O=C(NCCc1c[nH]c2ncccc12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436986609 315020040 /nfs/dbraw/zinc/02/00/40/315020040.db2.gz KLESBAXGAVUNGT-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000443417311 315246644 /nfs/dbraw/zinc/24/66/44/315246644.db2.gz PQNJFWJVWDJJCQ-UHFFFAOYSA-N -1 0 337.357 2.362 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000449006286 315409040 /nfs/dbraw/zinc/40/90/40/315409040.db2.gz YIPZBYKEYLHWQE-AWEZNQCLSA-N -1 0 335.360 2.452 20 5 EEBDRM C/C=C\C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000559713693 318754967 /nfs/dbraw/zinc/75/49/67/318754967.db2.gz QRORCSATBUUWIE-SFAKSCPVSA-N -1 0 335.360 2.323 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](CO)Cc2ccc(F)cc2)n1 ZINC000563622364 319031614 /nfs/dbraw/zinc/03/16/14/319031614.db2.gz DCCHPAYZJUQWOP-NSHDSACASA-N -1 0 349.318 2.090 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])c1 ZINC000563630862 319032635 /nfs/dbraw/zinc/03/26/35/319032635.db2.gz NHBQEUHFBPGJGG-LLVKDONJSA-N -1 0 336.344 2.224 20 5 EEBDRM CCOC(=O)C(C)(C)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565012028 319138259 /nfs/dbraw/zinc/13/82/59/319138259.db2.gz LLCQLLIRWDMCQM-UHFFFAOYSA-N -1 0 344.751 2.368 20 5 EEBDRM COc1cc(CN(C)c2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc(OC)c1 ZINC000565037983 319141991 /nfs/dbraw/zinc/14/19/91/319141991.db2.gz GWBDNSMMBRLJGI-UHFFFAOYSA-N -1 0 347.327 2.342 20 5 EEBDRM O=C([O-])CC1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000565955819 319230443 /nfs/dbraw/zinc/23/04/43/319230443.db2.gz VNPRWNBVRFGOFL-UHFFFAOYSA-N -1 0 344.776 2.464 20 5 EEBDRM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1C(=O)[O-] ZINC000567587854 319393930 /nfs/dbraw/zinc/39/39/30/319393930.db2.gz ADPYNSOKAJYMEG-VXNVDRBHSA-N -1 0 344.165 2.299 20 5 EEBDRM Cc1cc(N2CC[C@@H](Cc3cnn(C)c3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567978479 319440570 /nfs/dbraw/zinc/44/05/70/319440570.db2.gz GTUXAXXVTZBUBJ-LBPRGKRZSA-N -1 0 344.371 2.404 20 5 EEBDRM CC[C@H](C)N(CC(=O)OC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000570453137 319667271 /nfs/dbraw/zinc/66/72/71/319667271.db2.gz NTUTYNFCJKAOOR-QMMMGPOBSA-N -1 0 344.751 2.368 20 5 EEBDRM CC[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC(F)(F)F ZINC000575732608 320108626 /nfs/dbraw/zinc/10/86/26/320108626.db2.gz XWGVJEKBDGRPFY-MRVPVSSYSA-N -1 0 341.311 2.247 20 5 EEBDRM O=C([O-])C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCO1 ZINC000576709539 320197473 /nfs/dbraw/zinc/19/74/73/320197473.db2.gz UZPFGOBWDIHFPD-NSHDSACASA-N -1 0 348.277 2.289 20 5 EEBDRM CCCN(CC1CC1)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000577401107 320253912 /nfs/dbraw/zinc/25/39/12/320253912.db2.gz ZINDGSVEXDURDW-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM COc1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000581922100 324340406 /nfs/dbraw/zinc/34/04/06/324340406.db2.gz JMNFDPAGRFWXJJ-VIFPVBQESA-N -1 0 337.332 2.463 20 5 EEBDRM C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000582003291 324359679 /nfs/dbraw/zinc/35/96/79/324359679.db2.gz DWHWRFUUCBOQSB-GXFFZTMASA-N -1 0 347.371 2.352 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000153224008 462628241 /nfs/dbraw/zinc/62/82/41/462628241.db2.gz QTAMCHRBHWVGAO-NSHDSACASA-N -1 0 345.359 2.280 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(N)=O)c1 ZINC000063615167 462657924 /nfs/dbraw/zinc/65/79/24/462657924.db2.gz MAYGKZOCUBTPGB-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000091022065 462820836 /nfs/dbraw/zinc/82/08/36/462820836.db2.gz KTFYNOYIVKPJHD-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000013225618 462888268 /nfs/dbraw/zinc/88/82/68/462888268.db2.gz RZEXBFGFODCANP-CQDKDKBSSA-N -1 0 348.355 2.218 20 5 EEBDRM Cc1nc(CN2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)oc1C ZINC000093055762 463005232 /nfs/dbraw/zinc/00/52/32/463005232.db2.gz CYQRUNVAIMULGM-UHFFFAOYSA-N -1 0 346.387 2.223 20 5 EEBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(F)ccc1O ZINC000157306827 463118509 /nfs/dbraw/zinc/11/85/09/463118509.db2.gz FIRWBKBZAKOWBA-UHFFFAOYSA-N -1 0 340.332 2.424 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000135273127 463135415 /nfs/dbraw/zinc/13/54/15/463135415.db2.gz KPARBKHYNANJTK-UHFFFAOYSA-N -1 0 345.149 2.293 20 5 EEBDRM Cc1cccc2nc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cn21 ZINC000071890885 463457392 /nfs/dbraw/zinc/45/73/92/463457392.db2.gz VSVYCMFCKMSEKB-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](O)Cc1ccccc1 ZINC000163666543 463601020 /nfs/dbraw/zinc/60/10/20/463601020.db2.gz LAQHKOGEIOCBDH-NHYWBVRUSA-N -1 0 330.340 2.022 20 5 EEBDRM O=C([O-])c1csc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000255199525 463711075 /nfs/dbraw/zinc/71/10/75/463711075.db2.gz VGJNCNGHEMGPHS-UTCJRWHESA-N -1 0 333.325 2.079 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000261669064 463821430 /nfs/dbraw/zinc/82/14/30/463821430.db2.gz LKGZJTLVNOXWCY-CYBMUJFWSA-N -1 0 346.261 2.382 20 5 EEBDRM COC[C@](C)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)[O-] ZINC000262159505 463961342 /nfs/dbraw/zinc/96/13/42/463961342.db2.gz MTTXKXCMUMLVJO-AWEZNQCLSA-N -1 0 338.341 2.029 20 5 EEBDRM CC(C)c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263523200 464122394 /nfs/dbraw/zinc/12/23/94/464122394.db2.gz IICHFAZJAJGEKZ-QMTHXVAHSA-N -1 0 336.344 2.032 20 5 EEBDRM C[C@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C(=O)[O-] ZINC000568887921 468402438 /nfs/dbraw/zinc/40/24/38/468402438.db2.gz QGQTZRRUIQIXGU-LLVKDONJSA-N -1 0 331.328 2.701 20 5 EEBDRM O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181814441 464530675 /nfs/dbraw/zinc/53/06/75/464530675.db2.gz KKYKPSLXZWOFJI-GFCCVEGCSA-N -1 0 341.323 2.156 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCCC[C@H]1c1ncon1 ZINC000189615636 464532277 /nfs/dbraw/zinc/53/22/77/464532277.db2.gz CYXOXOILBBTMCO-LBPRGKRZSA-N -1 0 332.316 2.441 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1n1ccnc1 ZINC000182106724 464572522 /nfs/dbraw/zinc/57/25/22/464572522.db2.gz RCRAMAMZRLUTTR-SMDDNHRTSA-N -1 0 330.344 2.220 20 5 EEBDRM CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272587732 464669824 /nfs/dbraw/zinc/66/98/24/464669824.db2.gz VFMLFXQBSCRHPO-LBPRGKRZSA-N -1 0 349.387 2.069 20 5 EEBDRM CCOC(=O)[C@@H](CC)N(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000276140426 464822636 /nfs/dbraw/zinc/82/26/36/464822636.db2.gz AZHPEUPPZVOQRZ-GFCCVEGCSA-N -1 0 336.344 2.247 20 5 EEBDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000176717384 464832236 /nfs/dbraw/zinc/83/22/36/464832236.db2.gz ZSOZWVBHIIGOBN-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000192723365 464983943 /nfs/dbraw/zinc/98/39/43/464983943.db2.gz BDLGMHSXYBTNRT-HZMBPMFUSA-N -1 0 346.343 2.010 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2cccc3c2OCO3)ccc1[N+](=O)[O-] ZINC000337749417 465555696 /nfs/dbraw/zinc/55/56/96/465555696.db2.gz FFIJMUMLLUOVQH-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC000593961410 468445632 /nfs/dbraw/zinc/44/56/32/468445632.db2.gz HSCTWSJASOEEQL-LURJTMIESA-N -1 0 335.238 2.456 20 5 EEBDRM O=C([O-])CSCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000362556893 465827728 /nfs/dbraw/zinc/82/77/28/465827728.db2.gz XLBPRQYKQBZITG-UHFFFAOYSA-N -1 0 340.382 2.357 20 5 EEBDRM C[C@@H]1Oc2c(cccc2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])NC1=O ZINC000340551073 466167307 /nfs/dbraw/zinc/16/73/07/466167307.db2.gz ZRWNLETZGQINIF-QMMMGPOBSA-N -1 0 343.295 2.272 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])ccc1F ZINC000350511723 466522730 /nfs/dbraw/zinc/52/27/30/466522730.db2.gz HDAVAQINPZRLIR-UHFFFAOYSA-N -1 0 342.352 2.314 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000347309135 466552995 /nfs/dbraw/zinc/55/29/95/466552995.db2.gz NBEXGCWVYDHAHL-UHFFFAOYSA-N -1 0 347.274 2.231 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000412325331 467066488 /nfs/dbraw/zinc/06/64/88/467066488.db2.gz VDFWFUFNYUYTRD-JFUSQASVSA-N -1 0 348.384 2.318 20 5 EEBDRM C[S@@](=O)c1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436156383 467518277 /nfs/dbraw/zinc/51/82/77/467518277.db2.gz WFNLSDLJUZMACX-HSZRJFAPSA-N -1 0 334.353 2.219 20 5 EEBDRM Cc1ccc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])[nH]n2)o1 ZINC000447802499 467588640 /nfs/dbraw/zinc/58/86/40/467588640.db2.gz LLTKAQOYZJFSTP-UHFFFAOYSA-N -1 0 328.284 2.844 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493672219 467961180 /nfs/dbraw/zinc/96/11/80/467961180.db2.gz GCGBYWAKKZETNY-FTXDBJGXSA-N -1 0 336.319 2.316 20 5 EEBDRM Cc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])nc2ccccc12 ZINC000532642110 468128704 /nfs/dbraw/zinc/12/87/04/468128704.db2.gz SZGRSVWUUPLFQP-UHFFFAOYSA-N -1 0 338.323 2.482 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1noc(C(F)F)n1 ZINC000591782596 468520099 /nfs/dbraw/zinc/52/00/99/468520099.db2.gz BGWKWRQHXFDMNU-YFKPBYRVSA-N -1 0 328.231 2.112 20 5 EEBDRM COc1cccc([C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])OC)c1 ZINC000600677580 468618609 /nfs/dbraw/zinc/61/86/09/468618609.db2.gz FRSKPVOYPODJJS-CQSZACIVSA-N -1 0 347.327 2.496 20 5 EEBDRM CC(C)OCCCC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874598 468673082 /nfs/dbraw/zinc/67/30/82/468673082.db2.gz JOKKVYMFGOTFJY-MRXNPFEDSA-N -1 0 338.360 2.216 20 5 EEBDRM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000571287134 468766029 /nfs/dbraw/zinc/76/60/29/468766029.db2.gz CQPZKXOKJYSSHV-JXNBKPOHSA-N -1 0 332.356 2.461 20 5 EEBDRM CC(C)Cc1nc(=NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s[n-]1 ZINC000598190356 468790070 /nfs/dbraw/zinc/79/00/70/468790070.db2.gz BGQXJWVUCDQBKL-UHFFFAOYSA-N -1 0 346.372 2.195 20 5 EEBDRM CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595247584 468793031 /nfs/dbraw/zinc/79/30/31/468793031.db2.gz IIORAXTZSNHKJF-KLPPZKSPSA-N -1 0 333.344 2.104 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc3ccccn3n2)c1C ZINC000560453245 468810631 /nfs/dbraw/zinc/81/06/31/468810631.db2.gz OZRDRKPZJYWCKC-UHFFFAOYSA-N -1 0 346.368 2.660 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000592969197 468831117 /nfs/dbraw/zinc/83/11/17/468831117.db2.gz DNNKKYOUEGZRAS-CYBMUJFWSA-N -1 0 347.302 2.405 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000592969253 468831277 /nfs/dbraw/zinc/83/12/77/468831277.db2.gz MXXYSHYAEOLWCF-AWEZNQCLSA-N -1 0 347.302 2.405 20 5 EEBDRM CN(Cc1n[n-]c(=O)o1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595545894 468895769 /nfs/dbraw/zinc/89/57/69/468895769.db2.gz LFCOPHPOYLHKQH-UHFFFAOYSA-N -1 0 343.137 2.078 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000593231277 468911459 /nfs/dbraw/zinc/91/14/59/468911459.db2.gz ILWUHYVCMIGLJL-UHFFFAOYSA-N -1 0 349.387 2.134 20 5 EEBDRM CCc1nn(C)c(NC[C@@](C)(C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC000593327079 468940054 /nfs/dbraw/zinc/94/00/54/468940054.db2.gz JVIMUWHVMAJXGW-MRXNPFEDSA-N -1 0 332.360 2.345 20 5 EEBDRM COC(=O)c1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000595988336 469107466 /nfs/dbraw/zinc/10/74/66/469107466.db2.gz HLRMDDUIRJITQV-NSHDSACASA-N -1 0 338.316 2.067 20 5 EEBDRM COc1cccc2c1OC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000611534839 469274117 /nfs/dbraw/zinc/27/41/17/469274117.db2.gz HNPSWGIFIKKTGQ-LLVKDONJSA-N -1 0 344.323 2.043 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000612528951 469487689 /nfs/dbraw/zinc/48/76/89/469487689.db2.gz UASCJLQBCYHVCA-MRVPVSSYSA-N -1 0 342.311 2.373 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000612550063 469494043 /nfs/dbraw/zinc/49/40/43/469494043.db2.gz IWSPNDGLUZICMP-HQJQHLMTSA-N -1 0 334.250 2.092 20 5 EEBDRM O=C(Nc1ccc(F)c(-c2nnc[nH]2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000619252618 469558262 /nfs/dbraw/zinc/55/82/62/469558262.db2.gz FRDIQBLVXWEWDF-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM Cc1nc(N2CCC[C@H]2c2nc(C(=O)[O-])cs2)ncc1[N+](=O)[O-] ZINC000592982623 485600715 /nfs/dbraw/zinc/60/07/15/485600715.db2.gz LINHZJFMMIPTPZ-VIFPVBQESA-N -1 0 335.345 2.189 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000159931225 534516883 /nfs/dbraw/zinc/51/68/83/534516883.db2.gz PXIKVXDHTUXLDT-LBPRGKRZSA-N -1 0 326.736 2.256 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000738501008 578017401 /nfs/dbraw/zinc/01/74/01/578017401.db2.gz SXCKZWHGFUOKHH-UHFFFAOYSA-N -1 0 345.311 2.494 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000739370047 576009227 /nfs/dbraw/zinc/00/92/27/576009227.db2.gz CKEMQDBFRPFSBW-LBPRGKRZSA-N -1 0 335.703 2.199 20 5 EEBDRM C[C@H](OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000737749871 576061181 /nfs/dbraw/zinc/06/11/81/576061181.db2.gz SDVCLMICRUBESK-QWRGUYRKSA-N -1 0 336.344 2.461 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000738690166 577106240 /nfs/dbraw/zinc/10/62/40/577106240.db2.gz RDVMASLJKDYTTB-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM O=C(NC[C@]1(O)CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773164425 577320364 /nfs/dbraw/zinc/32/03/64/577320364.db2.gz MQZDGIXCABVXJL-GOSISDBHSA-N -1 0 342.351 2.254 20 5 EEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(C(=O)[O-])nc1)CC2 ZINC000774218738 577389633 /nfs/dbraw/zinc/38/96/33/577389633.db2.gz GFXIJFWWLWGAEM-UHFFFAOYSA-N -1 0 327.296 2.199 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000776522303 577461416 /nfs/dbraw/zinc/46/14/16/577461416.db2.gz JFHJZRPWWFZLER-MWLCHTKSSA-N -1 0 326.374 2.144 20 5 EEBDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000767567697 577539958 /nfs/dbraw/zinc/53/99/58/577539958.db2.gz BPDCZUYAORDIQR-UHFFFAOYSA-N -1 0 343.748 2.003 20 5 EEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768886218 577565011 /nfs/dbraw/zinc/56/50/11/577565011.db2.gz AICPLKFLRUKHBL-UHFFFAOYSA-N -1 0 330.343 2.171 20 5 EEBDRM O=C1CCCCN1[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000769339354 577575493 /nfs/dbraw/zinc/57/54/93/577575493.db2.gz VXKSEFOSRGMFKI-CQSZACIVSA-N -1 0 333.388 2.277 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC12CCC2 ZINC000759818470 577651177 /nfs/dbraw/zinc/65/11/77/577651177.db2.gz WQEQDPWXCMFAAT-VIFPVBQESA-N -1 0 344.776 2.243 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]N2CCc3ccccc3C2=O)c1 ZINC000762654224 577705382 /nfs/dbraw/zinc/70/53/82/577705382.db2.gz UUBUBKFXAZDRQI-UHFFFAOYSA-N -1 0 325.324 2.247 20 5 EEBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000763034471 577713126 /nfs/dbraw/zinc/71/31/26/577713126.db2.gz HGGUPECAEKDCFG-SECBINFHSA-N -1 0 346.380 2.256 20 5 EEBDRM O=C(CSc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)C1CCCC1 ZINC000754751805 577812045 /nfs/dbraw/zinc/81/20/45/577812045.db2.gz DLJRTJSUUCOUPB-UHFFFAOYSA-N -1 0 344.414 2.076 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCC2(O)CCCCCC2)cc([N+](=O)[O-])c1 ZINC000738672862 578023422 /nfs/dbraw/zinc/02/34/22/578023422.db2.gz LPIPWLCBFRMYFY-UHFFFAOYSA-N -1 0 336.344 2.108 20 5 EEBDRM O=C([O-])c1ccccc1NC(=O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000739330119 578048699 /nfs/dbraw/zinc/04/86/99/578048699.db2.gz XLRYQXDONFUZKQ-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N[C@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736658190 578216921 /nfs/dbraw/zinc/21/69/21/578216921.db2.gz ZZMCGXLTRQQHAZ-NHCYSSNCSA-N -1 0 335.360 2.398 20 5 EEBDRM CC[C@@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000736942773 578230126 /nfs/dbraw/zinc/23/01/26/578230126.db2.gz DBBMSMKUBMAWCF-WCBMZHEXSA-N -1 0 339.304 2.205 20 5 EEBDRM Cc1c(Br)cc(C(=O)N(C)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000820934316 597383784 /nfs/dbraw/zinc/38/37/84/597383784.db2.gz XFLSBBOKBMGHLY-SSDOTTSWSA-N -1 0 345.149 2.211 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000236996679 597400380 /nfs/dbraw/zinc/40/03/80/597400380.db2.gz JEPWRHSOJAJKHS-HZMBPMFUSA-N -1 0 346.343 2.010 20 5 EEBDRM O=C([O-])C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000821510765 598209313 /nfs/dbraw/zinc/20/93/13/598209313.db2.gz MYQHKPBDLQDTRH-UHFFFAOYSA-N -1 0 344.270 2.133 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])c[nH]1 ZINC000833306151 600726474 /nfs/dbraw/zinc/72/64/74/600726474.db2.gz HRFPFDMWBSDPEG-UHFFFAOYSA-N -1 0 346.704 2.042 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000831431084 600941210 /nfs/dbraw/zinc/94/12/10/600941210.db2.gz ULCBQPUIHAHTKI-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM Cn1c(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833038753 601091347 /nfs/dbraw/zinc/09/13/47/601091347.db2.gz HSTRBKVTSBDPNA-GXTWGEPZSA-N -1 0 349.387 2.429 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCCOc2cccc([N+](=O)[O-])c2)C1 ZINC000833190413 601181016 /nfs/dbraw/zinc/18/10/16/601181016.db2.gz WZZPBKVVSLQWAT-NWDGAFQWSA-N -1 0 337.328 2.408 20 5 EEBDRM CCC[C@@H]1C[C@H]1Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000829257436 601378396 /nfs/dbraw/zinc/37/83/96/601378396.db2.gz ZFLXVBXTHCDQGF-GIPNMCIBSA-N -1 0 335.360 2.398 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCCNC(=O)C2CCC2)c([N+](=O)[O-])c1 ZINC000833197113 601381243 /nfs/dbraw/zinc/38/12/43/601381243.db2.gz JTDRRHRQDAYZRN-SOFGYWHQSA-N -1 0 347.371 2.411 20 5 EEBDRM O=C([O-])c1coc(C(=O)COC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000833102636 601606101 /nfs/dbraw/zinc/60/61/01/601606101.db2.gz OMELLTWERWJSRC-UHFFFAOYSA-N -1 0 347.279 2.245 20 5 EEBDRM O=Cc1ccc([N+](=O)[O-])c(OCc2cn3cccc(C(=O)[O-])c3n2)c1 ZINC000833360266 601675514 /nfs/dbraw/zinc/67/55/14/601675514.db2.gz STWQETFEIZRQLW-UHFFFAOYSA-N -1 0 341.279 2.332 20 5 EEBDRM CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000826602043 601711469 /nfs/dbraw/zinc/71/14/69/601711469.db2.gz FFLBTZDBTAUPIW-UHFFFAOYSA-N -1 0 345.149 2.198 20 5 EEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CCC(=O)[O-])CC1 ZINC000831005485 601830217 /nfs/dbraw/zinc/83/02/17/601830217.db2.gz QAPOVSOPAWVZSP-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccc(F)cn1 ZINC000833307025 602013281 /nfs/dbraw/zinc/01/32/81/602013281.db2.gz JGFZXLUDAIORBS-UHFFFAOYSA-N -1 0 336.235 2.347 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC(CC(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000833296151 602025738 /nfs/dbraw/zinc/02/57/38/602025738.db2.gz UUGWBPCHGJDYCK-UHFFFAOYSA-N -1 0 332.234 2.317 20 5 EEBDRM Cc1cc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896897 602321111 /nfs/dbraw/zinc/32/11/11/602321111.db2.gz HQMDUQRCOSDLIF-LLVKDONJSA-N -1 0 335.360 2.413 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC000832476997 602350603 /nfs/dbraw/zinc/35/06/03/602350603.db2.gz ZMHRSKCLPIRUOF-UHFFFAOYSA-N -1 0 337.313 2.035 20 5 EEBDRM CC[C@@H](NC(=O)N1CCN(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000826607128 603681582 /nfs/dbraw/zinc/68/15/82/603681582.db2.gz HONYKDQZQBGCJI-CYBMUJFWSA-N -1 0 336.348 2.051 20 5 EEBDRM C[C@H](CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[S@](C)=O ZINC000827417292 604284058 /nfs/dbraw/zinc/28/40/58/604284058.db2.gz BZCZRPDTHAIOMY-BWHNQEDBSA-N -1 0 326.374 2.262 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000833781640 604532490 /nfs/dbraw/zinc/53/24/90/604532490.db2.gz FJQOYSFITDZGJC-CYBMUJFWSA-N -1 0 333.296 2.112 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000833323949 604816201 /nfs/dbraw/zinc/81/62/01/604816201.db2.gz FLQWNDIXOLKXRL-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM CC(C)(CCCO)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000833456880 604876693 /nfs/dbraw/zinc/87/66/93/604876693.db2.gz HJSVHNYKCFCDDG-UHFFFAOYSA-N -1 0 341.320 2.412 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)N(CC(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC000817982738 604904201 /nfs/dbraw/zinc/90/42/01/604904201.db2.gz HEVBDCSKJPICTR-UHFFFAOYSA-N -1 0 332.316 2.173 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000261756617 676315697 /nfs/dbraw/zinc/31/56/97/676315697.db2.gz VGODILMTUJNJMZ-LBPRGKRZSA-N -1 0 336.344 2.220 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cnc(C)s2)c([N+](=O)[O-])c1 ZINC000443458557 683761142 /nfs/dbraw/zinc/76/11/42/683761142.db2.gz WUPVXCZSMLAKMI-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000121783256 1201665925 /nfs/dbraw/zinc/66/59/25/1201665925.db2.gz WMNIHTDHOJAIGB-GXSJLCMTSA-N -1 0 348.808 2.078 20 5 EEBDRM C=C/C(C)=C/CC(=O)NC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001095439599 1205755336 /nfs/dbraw/zinc/75/53/36/1205755336.db2.gz WAPDYWKNYTWQKD-UUILKARUSA-N -1 0 346.387 2.303 20 5 EEBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2ncccc2Br)no1 ZINC001212892918 1214379477 /nfs/dbraw/zinc/37/94/77/1214379477.db2.gz CFXDFAQVRZSPAA-UHFFFAOYSA-N -1 0 337.093 2.192 20 5 EEBDRM CSC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795842985 1215104407 /nfs/dbraw/zinc/10/44/07/1215104407.db2.gz KXJOEUDOMXELCV-LURJTMIESA-N -1 0 342.801 2.417 20 5 EEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CC=CCC1 ZINC000119972676 1229641060 /nfs/dbraw/zinc/64/10/60/1229641060.db2.gz XHRARDIFIQYIJH-SECBINFHSA-N -1 0 344.776 2.409 20 5 EEBDRM CC(C)[C@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886471 1277380283 /nfs/dbraw/zinc/38/02/83/1277380283.db2.gz WTWQCMIUBWHMSP-HZMBPMFUSA-N -1 0 344.364 2.221 20 5 EEBDRM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C(F)F ZINC000867317634 1285645732 /nfs/dbraw/zinc/64/57/32/1285645732.db2.gz FVDHLARQADTRRR-QMMMGPOBSA-N -1 0 326.296 2.364 20 5 EEBDRM O=C1C[C@H](Oc2cc([O-])ccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC001225494089 1301023525 /nfs/dbraw/zinc/02/35/25/1301023525.db2.gz LUZCNHZVGJYCCL-AWEZNQCLSA-N -1 0 328.324 2.480 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CCc3cc(F)ccc32)c1[N+](=O)[O-] ZINC001226649614 1301493400 /nfs/dbraw/zinc/49/34/00/1301493400.db2.gz MEWLRSPMYHORQJ-SNVBAGLBSA-N -1 0 349.274 2.082 20 5 EEBDRM CC[C@@H](C)CC[C@@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226650018 1301493902 /nfs/dbraw/zinc/49/39/02/1301493902.db2.gz NEQOQLFHWJAOOC-RKDXNWHRSA-N -1 0 327.337 2.471 20 5 EEBDRM CCOC(=O)[C@@H]1CC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228609302 1302336187 /nfs/dbraw/zinc/33/61/87/1302336187.db2.gz CHNANCHKADZCNL-NXEZZACHSA-N -1 0 337.332 2.078 20 5 EEBDRM CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000780435301 1303667110 /nfs/dbraw/zinc/66/71/10/1303667110.db2.gz XJYSDVUBUJCKFR-VHSXEESVSA-N -1 0 344.389 2.091 20 5 EEBDRM C[C@@H]1CC=C(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000835278288 1314909237 /nfs/dbraw/zinc/90/92/37/1314909237.db2.gz ZLFXPYQYFDAIHO-SECBINFHSA-N -1 0 342.348 2.285 20 5 EEBDRM COc1cc(OC)cc(-c2nnc(-c3cnc([N+](=O)[O-])c([O-])c3)o2)c1 ZINC001253903557 1317956002 /nfs/dbraw/zinc/95/60/02/1317956002.db2.gz OAVRFJHZQKRPSZ-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM COC(=O)c1n[nH]cc1[N-]C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001158632653 1319346998 /nfs/dbraw/zinc/34/69/98/1319346998.db2.gz XFTDKUJLVDZYQC-UHFFFAOYSA-N -1 0 347.665 2.314 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001608490440 1351703553 /nfs/dbraw/zinc/70/35/53/1351703553.db2.gz MJYOJMLJGSRGMB-XCBNKYQSSA-N -1 0 332.234 2.207 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)C2 ZINC001608493204 1351704006 /nfs/dbraw/zinc/70/40/06/1351704006.db2.gz HFBVFUSUKFCUAP-GLSBUQGYSA-N -1 0 329.312 2.059 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001601006799 1350187852 /nfs/dbraw/zinc/18/78/52/1350187852.db2.gz KPWHFDCVSURPAT-ZETCQYMHSA-N -1 0 348.281 2.038 20 5 EEBDRM O=C([O-])c1ccc(OC[C@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC001602389460 1350508597 /nfs/dbraw/zinc/50/85/97/1350508597.db2.gz NXCSPWNYIIDMSQ-LLVKDONJSA-N -1 0 333.296 2.112 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@]2(c3ccccc3)C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001602533507 1350540263 /nfs/dbraw/zinc/54/02/63/1350540263.db2.gz IOCNHDCYQYGQPE-WJYNOGRTSA-N -1 0 343.339 2.193 20 5 EEBDRM O=C([O-])c1nn(CCOc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC001602584836 1350551315 /nfs/dbraw/zinc/55/13/15/1350551315.db2.gz JSWOGEHDTULURK-UHFFFAOYSA-N -1 0 329.671 2.361 20 5 EEBDRM CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C1CC1 ZINC001603646021 1350733767 /nfs/dbraw/zinc/73/37/67/1350733767.db2.gz YDSDHTLSVCQOBF-UHFFFAOYSA-N -1 0 342.373 2.008 20 5 EEBDRM O=C([O-])CCCCCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001608710478 1351746277 /nfs/dbraw/zinc/74/62/77/1351746277.db2.gz DEEKWYJZMIRZRR-UHFFFAOYSA-N -1 0 348.359 2.096 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(c1ncnc3sc([N+](=O)[O-])cc31)C2 ZINC001608824865 1351772670 /nfs/dbraw/zinc/77/26/70/1351772670.db2.gz FIQHSHNARUCUEB-RTHLEPHNSA-N -1 0 334.357 2.291 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@@H](c3nccs3)C2)cc([N+](=O)[O-])c1 ZINC001608835305 1351774986 /nfs/dbraw/zinc/77/49/86/1351774986.db2.gz DDTVLZAAULEGOF-SECBINFHSA-N -1 0 347.352 2.379 20 5 EEBDRM O=C([O-])c1ccc(OC[C@H]2CCC3(CCOCC3)O2)c([N+](=O)[O-])c1 ZINC001608907025 1351791316 /nfs/dbraw/zinc/79/13/16/1351791316.db2.gz USCHCTQJUYEGHL-GFCCVEGCSA-N -1 0 337.328 2.400 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COc2ccc3c(c2)CCNC3=O)c1 ZINC001608914874 1351793563 /nfs/dbraw/zinc/79/35/63/1351793563.db2.gz OFJRHMYTCFIFCU-UHFFFAOYSA-N -1 0 342.307 2.158 20 5 EEBDRM O=C([O-])c1cccc(OC[C@@H](O)COCc2ccccc2)c1[N+](=O)[O-] ZINC001608937678 1351798516 /nfs/dbraw/zinc/79/85/16/1351798516.db2.gz LIMJGPXLGYQONZ-ZDUSSCGKSA-N -1 0 347.323 2.250 20 5 EEBDRM O=C([O-])c1ccnc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC001608951519 1351801737 /nfs/dbraw/zinc/80/17/37/1351801737.db2.gz ZMWYRRLLAUUBCF-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM O=C([O-])c1ccnc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001608951798 1351801921 /nfs/dbraw/zinc/80/19/21/1351801921.db2.gz NMHLXCXWPLZFNK-UHFFFAOYSA-N -1 0 349.730 2.314 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001608988511 1351808819 /nfs/dbraw/zinc/80/88/19/1351808819.db2.gz LNMLMXOTSFEHDS-ZIAGYGMSSA-N -1 0 330.296 2.306 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1O ZINC001321175908 1333038115 /nfs/dbraw/zinc/03/81/15/1333038115.db2.gz QKJULWZRJUNWPD-UHFFFAOYSA-N -1 0 332.268 2.045 20 5 EEBDRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892768 1338365771 /nfs/dbraw/zinc/36/57/71/1338365771.db2.gz JIZVJQGKMYAFRU-UHFFFAOYSA-N -1 0 329.378 2.011 20 5 EEBDRM Cc1ccc(C)c(OCCn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c1 ZINC001610495706 1352233126 /nfs/dbraw/zinc/23/31/26/1352233126.db2.gz ZWFUQLIAUKQCKF-UHFFFAOYSA-N -1 0 332.312 2.151 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001610595499 1352251078 /nfs/dbraw/zinc/25/10/78/1352251078.db2.gz AIYAZAAYFKINCT-UHFFFAOYSA-N -1 0 343.339 2.436 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCO[C@H]2CCCCO2)n1 ZINC001610841589 1352283567 /nfs/dbraw/zinc/28/35/67/1352283567.db2.gz UVCPXRWBADFWOU-LBPRGKRZSA-N -1 0 325.321 2.033 20 5 EEBDRM Nc1c(C(=O)N2CCC[C@H]2C(=O)[O-])cc2ccccc2c1[N+](=O)[O-] ZINC001574804732 1343703735 /nfs/dbraw/zinc/70/37/35/1343703735.db2.gz RVTQMTAUQVNAGZ-LBPRGKRZSA-N -1 0 329.312 2.019 20 5 EEBDRM CC[C@@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001590421566 1349316698 /nfs/dbraw/zinc/31/66/98/1349316698.db2.gz KRUNNETVZIUCJJ-LURJTMIESA-N -1 0 345.285 2.500 20 5 EEBDRM Cc1c(NC(=O)[C@H](C)Oc2ccccn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600031021 1349958063 /nfs/dbraw/zinc/95/80/63/1349958063.db2.gz PQHUYHLNXMXMMR-JTQLQIEISA-N -1 0 345.311 2.402 20 5 EEBDRM Cc1c(NC(=O)NC[C@]2(C)CCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600042349 1349960487 /nfs/dbraw/zinc/96/04/87/1349960487.db2.gz FCJBZQBWRAHDPT-HNNXBMFYSA-N -1 0 337.332 2.292 20 5 EEBDRM Cc1c(NC(=O)N[C@H](C)CC(C)(C)O)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041753 1349960675 /nfs/dbraw/zinc/96/06/75/1349960675.db2.gz XTGWVRINJSHJKD-MRVPVSSYSA-N -1 0 339.348 2.272 20 5 EEBDRM Cc1cc(C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)cc([N+](=O)[O-])c1 ZINC001600091521 1349969489 /nfs/dbraw/zinc/96/94/89/1349969489.db2.gz ZDEKSRVRWQVYDE-UIORMTCPSA-N -1 0 348.355 2.045 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)C[C@]23CCC[C@H]2OCC3)n1 ZINC001600104220 1349971663 /nfs/dbraw/zinc/97/16/63/1349971663.db2.gz KMVWFAJHZPDITH-MLGOLLRUSA-N -1 0 335.360 2.392 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC001600106674 1349972337 /nfs/dbraw/zinc/97/23/37/1349972337.db2.gz JDTNWGYIMXYSGL-CHWSQXEVSA-N -1 0 334.376 2.425 20 5 EEBDRM Cc1cc([C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)[O-])ccc1F ZINC001600146631 1349980076 /nfs/dbraw/zinc/98/00/76/1349980076.db2.gz OSPVGVIGBRGWDX-CYBMUJFWSA-N -1 0 326.324 2.212 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])c1C ZINC001600487325 1350063324 /nfs/dbraw/zinc/06/33/24/1350063324.db2.gz XMWAEKYGPFPPIL-NSHDSACASA-N -1 0 349.368 2.094 20 5 EEBDRM Cc1cncc([N+](=O)[O-])c1N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001600628199 1350101612 /nfs/dbraw/zinc/10/16/12/1350101612.db2.gz MNDMXPDOVPJSOC-UHFFFAOYSA-N -1 0 331.328 2.398 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001600720673 1350120700 /nfs/dbraw/zinc/12/07/00/1350120700.db2.gz SJXLGLZNKUPAFQ-JTQLQIEISA-N -1 0 347.327 2.492 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC001600720789 1350120719 /nfs/dbraw/zinc/12/07/19/1350120719.db2.gz ZJGXPDUKNBFHRJ-UHFFFAOYSA-N -1 0 339.691 2.057 20 5 EEBDRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001601566381 1350308023 /nfs/dbraw/zinc/30/80/23/1350308023.db2.gz KARFRZGQTYZWLX-LBPRGKRZSA-N -1 0 332.287 2.160 20 5 EEBDRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001601620092 1350321475 /nfs/dbraw/zinc/32/14/75/1350321475.db2.gz JTKWDPOGTQCUBF-NSHDSACASA-N -1 0 345.315 2.146 20 5 EEBDRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001602105480 1350438657 /nfs/dbraw/zinc/43/86/57/1350438657.db2.gz OCFHYRPABBQKCB-CYUUQNCZSA-N -1 0 332.356 2.458 20 5 EEBDRM O=C([O-])c1c(Cl)c(N[C@@H](CO)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC001602232528 1350471695 /nfs/dbraw/zinc/47/16/95/1350471695.db2.gz ISTNWLFIBVUEML-WPRPVWTQSA-N -1 0 344.751 2.146 20 5 EEBDRM O=C([O-])c1cc(OCc2ncn(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC001602288237 1350486067 /nfs/dbraw/zinc/48/60/67/1350486067.db2.gz MZXJFBNZAUMFKE-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](O)c1ccncc1 ZINC001602298534 1350487898 /nfs/dbraw/zinc/48/78/98/1350487898.db2.gz KVNBZNDVYUUJGD-GFCCVEGCSA-N -1 0 337.719 2.487 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001602386784 1350508282 /nfs/dbraw/zinc/50/82/82/1350508282.db2.gz NRLXGXHTBJZQBF-UHFFFAOYSA-N -1 0 332.224 2.420 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001602387583 1350508377 /nfs/dbraw/zinc/50/83/77/1350508377.db2.gz LJTRPIUXUZEYPT-UHFFFAOYSA-N -1 0 346.251 2.463 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CC23CCOCC3)c1 ZINC001602403882 1350511604 /nfs/dbraw/zinc/51/16/04/1350511604.db2.gz PWILDCGPSUNIPX-LBPRGKRZSA-N -1 0 335.312 2.153 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC001602405286 1350512011 /nfs/dbraw/zinc/51/20/11/1350512011.db2.gz QAKKDNMWFFUPMM-MRVPVSSYSA-N -1 0 344.192 2.263 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC001602415737 1350514140 /nfs/dbraw/zinc/51/41/40/1350514140.db2.gz JTEASECNLCITSL-UHFFFAOYSA-N -1 0 340.335 2.420 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC(c3cccnc3)CC2)c1[N+](=O)[O-] ZINC001602480222 1350528831 /nfs/dbraw/zinc/52/88/31/1350528831.db2.gz NNYRPIRYNSIETA-UHFFFAOYSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1cncc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC001602533774 1350540807 /nfs/dbraw/zinc/54/08/07/1350540807.db2.gz JTEMWGQVRAHFME-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM C[C@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC001603163706 1350653773 /nfs/dbraw/zinc/65/37/73/1350653773.db2.gz BSYBHEVGMMVGDG-ONGXEEELSA-N -1 0 338.335 2.455 20 5 EEBDRM CC(C)N1CCC[C@@H]1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603895646 1350797294 /nfs/dbraw/zinc/79/72/94/1350797294.db2.gz WQKDUFBKHLEPQY-CQSZACIVSA-N -1 0 336.344 2.209 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001603987507 1350821176 /nfs/dbraw/zinc/82/11/76/1350821176.db2.gz IFYILRHCCZOUSQ-MRVPVSSYSA-N -1 0 327.337 2.488 20 5 EEBDRM C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1cccc([N+](=O)[O-])c1 ZINC001604276769 1350907473 /nfs/dbraw/zinc/90/74/73/1350907473.db2.gz DRJBUENLUXECSR-SNVBAGLBSA-N -1 0 329.312 2.108 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001604494797 1350949424 /nfs/dbraw/zinc/94/94/24/1350949424.db2.gz NSFCAZLDFHWRSB-AWEZNQCLSA-N -1 0 341.751 2.157 20 5 EEBDRM CC1(C(=O)[O-])CN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001604502311 1350950206 /nfs/dbraw/zinc/95/02/06/1350950206.db2.gz BBNDLKUJVQSOHK-UHFFFAOYSA-N -1 0 335.179 2.325 20 5 EEBDRM CC1(C)CC(CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001604514915 1350952914 /nfs/dbraw/zinc/95/29/14/1350952914.db2.gz RVTLHWAMGZQLEX-UHFFFAOYSA-N -1 0 335.360 2.257 20 5 EEBDRM CC[C@H](C)CN(CC)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001604956613 1351038978 /nfs/dbraw/zinc/03/89/78/1351038978.db2.gz ZITUXPYLIQMCOE-NSHDSACASA-N -1 0 337.376 2.282 20 5 EEBDRM CC[C@@H]1[C@H](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001605150664 1351088697 /nfs/dbraw/zinc/08/86/97/1351088697.db2.gz DQKHFUZYDYPBLK-BXKDBHETSA-N -1 0 342.373 2.102 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1ccccc1[N+](=O)[O-] ZINC001605889483 1351247140 /nfs/dbraw/zinc/24/71/40/1351247140.db2.gz OFUQDUZOFCHOAZ-UHFFFAOYSA-N -1 0 341.297 2.216 20 5 EEBDRM COC(=O)Cc1ccc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC001606480861 1351308565 /nfs/dbraw/zinc/30/85/65/1351308565.db2.gz JRENLNHQKRHNDM-GFCCVEGCSA-N -1 0 348.355 2.001 20 5 EEBDRM CO[C@]1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CCOC1 ZINC001606720552 1351346691 /nfs/dbraw/zinc/34/66/91/1351346691.db2.gz OPNFQINRFNUAFT-ZDUSSCGKSA-N -1 0 330.724 2.164 20 5 EEBDRM CON(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)[C@@H](C)CC(=O)[O-] ZINC001606987692 1351393457 /nfs/dbraw/zinc/39/34/57/1351393457.db2.gz MLMKQQOFUVWCJA-JTQLQIEISA-N -1 0 340.332 2.249 20 5 EEBDRM COc1cc(C(=O)Nc2cccc(C(=O)[O-])n2)c([N+](=O)[O-])cc1F ZINC001607087140 1351412612 /nfs/dbraw/zinc/41/26/12/1351412612.db2.gz IRWKAFOUOYXMPA-UHFFFAOYSA-N -1 0 335.247 2.088 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001607192038 1351446745 /nfs/dbraw/zinc/44/67/45/1351446745.db2.gz VKVVYFNCWGCGDT-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM COc1ccc([C@@H](C)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1 ZINC001607220376 1351451761 /nfs/dbraw/zinc/45/17/61/1351451761.db2.gz WEPADQGISWMWHF-JTQLQIEISA-N -1 0 332.312 2.267 20 5 EEBDRM COc1ccc(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC001607254168 1351459165 /nfs/dbraw/zinc/45/91/65/1351459165.db2.gz NIHFCSYZBIJGBM-UHFFFAOYSA-N -1 0 348.355 2.255 20 5 EEBDRM COc1nc(C)ccc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001607357738 1351482035 /nfs/dbraw/zinc/48/20/35/1351482035.db2.gz QTWIAYKUCNIVQA-UHFFFAOYSA-N -1 0 332.268 2.224 20 5 EEBDRM C[C@@H](O)[C@@H](C(=O)[O-])N(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC001607423974 1351492324 /nfs/dbraw/zinc/49/23/24/1351492324.db2.gz JWPGJBHKKCQMKO-DYVFJYSZSA-N -1 0 344.367 2.431 20 5 EEBDRM C[C@H]1COC(C)(C)CN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001607479373 1351500411 /nfs/dbraw/zinc/50/04/11/1351500411.db2.gz IAXYJWFNDAXDRM-NSHDSACASA-N -1 0 338.360 2.058 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001607534359 1351511786 /nfs/dbraw/zinc/51/17/86/1351511786.db2.gz KPCJSKPWFJGCEV-BFLSOPEQSA-N -1 0 336.319 2.271 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001607534400 1351511877 /nfs/dbraw/zinc/51/18/77/1351511877.db2.gz NAGOPFQGNBNYOA-UHFFFAOYSA-N -1 0 333.275 2.066 20 5 EEBDRM Cc1cc(OCC(=O)NCc2ccccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607700785 1351542400 /nfs/dbraw/zinc/54/24/00/1351542400.db2.gz OPOWNNPHEDKREM-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1cncc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001607909259 1351583851 /nfs/dbraw/zinc/58/38/51/1351583851.db2.gz ICRRMMPZDBDWMG-INIZCTEOSA-N -1 0 329.312 2.028 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)CN2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001608335152 1351672882 /nfs/dbraw/zinc/67/28/82/1351672882.db2.gz NDUOIHKAZKWQPW-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM CC[C@@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)NC(=O)OC(C)(C)C ZINC000853229656 1369322536 /nfs/dbraw/zinc/32/25/36/1369322536.db2.gz JLPZPQYUHQUHHS-VIFPVBQESA-N -1 0 327.337 2.383 20 5 EEBDRM Cn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CCCC2(CC2)C1 ZINC001121392869 1371875055 /nfs/dbraw/zinc/87/50/55/1371875055.db2.gz WMHZQWFZVXSBSG-UHFFFAOYSA-N -1 0 329.360 2.476 20 5 EEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CC(C)C ZINC000839054943 1372886534 /nfs/dbraw/zinc/88/65/34/1372886534.db2.gz CSZPSYDMDPDZJS-UHFFFAOYSA-N -1 0 343.405 2.268 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)nn1C ZINC000817354539 784692560 /nfs/dbraw/zinc/69/25/60/784692560.db2.gz LRPYYEAEXATMHB-UHFFFAOYSA-N -1 0 342.352 2.139 20 5 EEBDRM CCc1ccc([C@@H](O)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000804156670 785582605 /nfs/dbraw/zinc/58/26/05/785582605.db2.gz LOAPKDSYRJVHQX-INIZCTEOSA-N -1 0 330.340 2.326 20 5 EEBDRM CO[C@@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000910478950 786808872 /nfs/dbraw/zinc/80/88/72/786808872.db2.gz IQMJAOHJFVZZMO-LBPRGKRZSA-N -1 0 334.250 2.294 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC(c3ccncn3)CC2)c([N+](=O)[O-])c1 ZINC000844207661 788926511 /nfs/dbraw/zinc/92/65/11/788926511.db2.gz AKCFYIOISKVRJL-UHFFFAOYSA-N -1 0 342.355 2.396 20 5 EEBDRM CN(Cc1nnc2n1CCCCC2)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000844207402 788926576 /nfs/dbraw/zinc/92/65/76/788926576.db2.gz DGUHSHDUMKOLDK-UHFFFAOYSA-N -1 0 345.359 2.247 20 5 EEBDRM Cc1cc([C@](C)(O)CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c(C)o1 ZINC000844209924 788927564 /nfs/dbraw/zinc/92/75/64/788927564.db2.gz KVISMSGEKZGSEN-OAHLLOKOSA-N -1 0 335.316 2.217 20 5 EEBDRM CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000172023982 791523229 /nfs/dbraw/zinc/52/32/29/791523229.db2.gz VLAIFJIUDXTPNG-MRVPVSSYSA-N -1 0 334.781 2.345 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc3[nH]c(=O)cnc3c2)cc1[N+](=O)[O-] ZINC001174505354 797785079 /nfs/dbraw/zinc/78/50/79/797785079.db2.gz CNCDPWGBEOGXRV-UHFFFAOYSA-N -1 0 326.268 2.273 20 5 EEBDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175902371 798282327 /nfs/dbraw/zinc/28/23/27/798282327.db2.gz FXGYWUHCWGARTJ-CMDGGOBGSA-N -1 0 349.368 2.326 20 5 EEBDRM N=c1c(N)c(Cl)c(Cl)cn1-c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176671862 798522851 /nfs/dbraw/zinc/52/28/51/798522851.db2.gz BLJQGCDSAWZWII-UHFFFAOYSA-N -1 0 343.126 2.452 20 5 EEBDRM O=C(NCC(F)(F)Br)c1ccc([N+](=O)[O-])cc1[O-] ZINC000805245079 811188891 /nfs/dbraw/zinc/18/88/91/811188891.db2.gz WTCQNTQRPMMYNP-UHFFFAOYSA-N -1 0 325.065 2.018 20 5 EEBDRM O=C(NCC(F)(F)Br)c1cccc([N+](=O)[O-])c1[O-] ZINC000805248198 811190034 /nfs/dbraw/zinc/19/00/34/811190034.db2.gz WXCACXJRPITPSD-UHFFFAOYSA-N -1 0 325.065 2.018 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)nc2C)ccc1[N+](=O)[O-] ZINC000808547500 812714765 /nfs/dbraw/zinc/71/47/65/812714765.db2.gz QABHUQUMRUHKEJ-UHFFFAOYSA-N -1 0 342.764 2.456 20 5 EEBDRM O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CO1 ZINC001595003505 951167578 /nfs/dbraw/zinc/16/75/78/951167578.db2.gz GBKRMZVAUXALHX-IUCAKERBSA-N -1 0 342.735 2.457 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001589297960 953660534 /nfs/dbraw/zinc/66/05/34/953660534.db2.gz BTMUHXITCXKCDV-UEEZHKSASA-N -1 0 332.356 2.410 20 5 EEBDRM O=C([O-])[C@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001594831779 953974235 /nfs/dbraw/zinc/97/42/35/953974235.db2.gz JKAQRGIEIMWHEL-ZFWWWQNUSA-N -1 0 332.356 2.412 20 5 EEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000852910708 955853299 /nfs/dbraw/zinc/85/32/99/955853299.db2.gz ZLPBPWRVSHCYLD-NSHDSACASA-N -1 0 335.360 2.036 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000852960582 955899098 /nfs/dbraw/zinc/89/90/98/955899098.db2.gz JKGLIONKKDAJJW-NSHDSACASA-N -1 0 326.736 2.479 20 5 EEBDRM COc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001594050507 957981855 /nfs/dbraw/zinc/98/18/55/957981855.db2.gz LMSAXMYFYBXRAR-DTWKUNHWSA-N -1 0 340.307 2.068 20 5 EEBDRM CC(C)CN(CC(=O)[O-])c1ncc([N+](=O)[O-])cc1Br ZINC000093433617 958245865 /nfs/dbraw/zinc/24/58/65/958245865.db2.gz VPWOUZNOVZQGCS-UHFFFAOYSA-N -1 0 332.154 2.299 20 5 EEBDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001594223064 959397617 /nfs/dbraw/zinc/39/76/17/959397617.db2.gz YPLCFIKKCNPPBE-DIFFPNOSSA-N -1 0 348.355 2.075 20 5 EEBDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001574280463 960638403 /nfs/dbraw/zinc/63/84/03/960638403.db2.gz JYYRAGPYSLTKDJ-ZUCKAHLUSA-N -1 0 332.356 2.412 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001604157704 972572904 /nfs/dbraw/zinc/57/29/04/972572904.db2.gz UDTRFMPLTKUULN-UHFFFAOYSA-N -1 0 330.728 2.159 20 5 EEBDRM O=C([O-])C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001605928535 972844809 /nfs/dbraw/zinc/84/48/09/972844809.db2.gz IOGIJZNMOXERAR-UHFFFAOYSA-N -1 0 335.360 2.158 20 5 EEBDRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001592202457 977218966 /nfs/dbraw/zinc/21/89/66/977218966.db2.gz CPSKXFLYAHPPEC-KNQJERJVSA-N -1 0 343.133 2.116 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CC1 ZINC001592304658 977666307 /nfs/dbraw/zinc/66/63/07/977666307.db2.gz TZXQPIXWYYCCCP-AWEZNQCLSA-N -1 0 341.751 2.204 20 5 EEBDRM CCCc1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n(C)n1 ZINC001596058024 983364594 /nfs/dbraw/zinc/36/45/94/983364594.db2.gz CZTUDCNMNGDBGR-UHFFFAOYSA-N -1 0 332.316 2.231 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C(=O)[O-])O1 ZINC001599932185 985334539 /nfs/dbraw/zinc/33/45/39/985334539.db2.gz VJLNMTBNUZBZAP-CPCISQLKSA-N -1 0 345.149 2.036 20 5 EEBDRM CCc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(=O)[nH]1 ZINC001597433436 987775234 /nfs/dbraw/zinc/77/52/34/987775234.db2.gz BFWWRIGDEOHCFJ-UHFFFAOYSA-N -1 0 331.284 2.208 20 5 EEBDRM CSc1ccc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599809648 988312228 /nfs/dbraw/zinc/31/22/28/988312228.db2.gz OMSLLNQQINFJHZ-VIFPVBQESA-N -1 0 346.311 2.251 20 5 EEBDRM CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001598036521 990263697 /nfs/dbraw/zinc/26/36/97/990263697.db2.gz KWMLODMCQDNKHC-UHFFFAOYSA-N -1 0 344.323 2.264 20 5 EEBDRM CN(Cc1ccncc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598531423 992785627 /nfs/dbraw/zinc/78/56/27/992785627.db2.gz PRQRNNPFCYBAQX-UHFFFAOYSA-N -1 0 331.328 2.085 20 5 EEBDRM CC(C)[C@H](C)N(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001593169361 994020312 /nfs/dbraw/zinc/02/03/12/994020312.db2.gz YUOAUQZOFNCAGT-QWRGUYRKSA-N -1 0 337.376 2.278 20 5 EEBDRM CNc1c(C(=O)NCCc2cccc(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001598677431 994869429 /nfs/dbraw/zinc/86/94/29/994869429.db2.gz PHHUKEKOTODFKP-UHFFFAOYSA-N -1 0 343.339 2.307 20 5 EEBDRM CNc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC001598678807 994892316 /nfs/dbraw/zinc/89/23/16/994892316.db2.gz UXPXKABEDPMNJQ-ZDUSSCGKSA-N -1 0 335.360 2.400 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001594141622 998445260 /nfs/dbraw/zinc/44/52/60/998445260.db2.gz KVVNIQZWYYCSKY-ONGXEEELSA-N -1 0 338.335 2.333 20 5 EEBDRM Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCC[C@H](CF)C1 ZINC001519971330 1119117463 /nfs/dbraw/zinc/11/74/63/1119117463.db2.gz XIFFSLCKXMMHGN-SNVBAGLBSA-N -1 0 335.339 2.282 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000045622352 213744630 /nfs/dbraw/zinc/74/46/30/213744630.db2.gz AMDXEKIWECONEU-SNVBAGLBSA-N -1 0 345.149 2.196 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000262859816 304083909 /nfs/dbraw/zinc/08/39/09/304083909.db2.gz FBWKWYRTOYYLMY-SNVBAGLBSA-N -1 0 329.312 2.222 20 5 EEBDRM O=C([O-])CCCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188838 218267368 /nfs/dbraw/zinc/26/73/68/218267368.db2.gz QQPAWENKYZFMBK-UHFFFAOYSA-N -1 0 346.137 2.344 20 5 EEBDRM CCn1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cn1 ZINC000154244541 224225244 /nfs/dbraw/zinc/22/52/44/224225244.db2.gz BFYKSWRZQDRYCP-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccnc(O[C@H]2CCOC2)c1 ZINC000273292621 256284439 /nfs/dbraw/zinc/28/44/39/256284439.db2.gz CULLXBSBJGRPED-LBPRGKRZSA-N -1 0 345.311 2.115 20 5 EEBDRM C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000273352314 256289022 /nfs/dbraw/zinc/28/90/22/256289022.db2.gz NEPLXQNAQUQVKQ-QMMMGPOBSA-N -1 0 325.321 2.152 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000262786177 152317371 /nfs/dbraw/zinc/31/73/71/152317371.db2.gz BLFDEVWEMZGQMF-BXKDBHETSA-N -1 0 338.385 2.500 20 5 EEBDRM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1(C)C ZINC000262836291 152325361 /nfs/dbraw/zinc/32/53/61/152325361.db2.gz QUMKOULMCCRFKI-BZHVJNSISA-N -1 0 336.344 2.082 20 5 EEBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CF)C(=O)[O-] ZINC000262972630 152349026 /nfs/dbraw/zinc/34/90/26/152349026.db2.gz OTNWEUFEOSACPX-SNVBAGLBSA-N -1 0 330.337 2.248 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000119422240 159378126 /nfs/dbraw/zinc/37/81/26/159378126.db2.gz MVTRRZYSUGDIEF-UHFFFAOYSA-N -1 0 330.391 2.061 20 5 EEBDRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000185716669 160046741 /nfs/dbraw/zinc/04/67/41/160046741.db2.gz NVLVKVLPPUFFDO-UHFFFAOYSA-N -1 0 342.764 2.456 20 5 EEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000342390930 161061959 /nfs/dbraw/zinc/06/19/59/161061959.db2.gz WQKQNBWOGXFBRP-UHFFFAOYSA-N -1 0 344.370 2.480 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c([N+](=O)[O-])n1 ZINC000342647746 161080604 /nfs/dbraw/zinc/08/06/04/161080604.db2.gz DWRAVFSFGHXSIP-UHFFFAOYSA-N -1 0 348.743 2.405 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2csc(-c3ccccn3)n2)[nH]1 ZINC000352021496 162031360 /nfs/dbraw/zinc/03/13/60/162031360.db2.gz PUGRSOVRAUBYKX-SNAWJCMRSA-N -1 0 343.324 2.485 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000352871663 162324193 /nfs/dbraw/zinc/32/41/93/162324193.db2.gz SKJVJFCIYBYMDL-UHFFFAOYSA-N -1 0 348.793 2.494 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCC(C)(C)C1 ZINC000355412833 163180256 /nfs/dbraw/zinc/18/02/56/163180256.db2.gz UOPJHOLXALOGHX-UHFFFAOYSA-N -1 0 342.373 2.022 20 5 EEBDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000359038416 164042913 /nfs/dbraw/zinc/04/29/13/164042913.db2.gz UJZWDJITGLXIIL-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272659173 269005091 /nfs/dbraw/zinc/00/50/91/269005091.db2.gz HBCLKXWPRVRBRJ-ZNMIVQPWSA-N -1 0 332.356 2.378 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000280867184 269395628 /nfs/dbraw/zinc/39/56/28/269395628.db2.gz DISSWRHYWPOVKU-MRVPVSSYSA-N -1 0 338.307 2.448 20 5 EEBDRM Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000279213833 274453052 /nfs/dbraw/zinc/45/30/52/274453052.db2.gz FAVITJXWBNUPHU-NSHDSACASA-N -1 0 346.343 2.180 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000288262358 275040366 /nfs/dbraw/zinc/04/03/66/275040366.db2.gz CRFUPXSNWDPRNK-RXMQYKEDSA-N -1 0 332.687 2.477 20 5 EEBDRM O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000288652004 275079274 /nfs/dbraw/zinc/07/92/74/275079274.db2.gz QZXIAHJFZFNPQP-VIFPVBQESA-N -1 0 347.293 2.057 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291104615 275270910 /nfs/dbraw/zinc/27/09/10/275270910.db2.gz DZGQODUHAVXDKY-GOSISDBHSA-N -1 0 342.351 2.077 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000291646629 275326113 /nfs/dbraw/zinc/32/61/13/275326113.db2.gz WEIMIYZARNQPBV-NSHDSACASA-N -1 0 336.735 2.238 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000294491141 293467535 /nfs/dbraw/zinc/46/75/35/293467535.db2.gz SBFFAVNPOZXDHC-ZXPIPCSDSA-N -1 0 330.340 2.320 20 5 EEBDRM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000295304909 293677472 /nfs/dbraw/zinc/67/74/72/293677472.db2.gz MQQXETRMRONDOS-ZETCQYMHSA-N -1 0 342.295 2.390 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000261711740 302038294 /nfs/dbraw/zinc/03/82/94/302038294.db2.gz PSMBIPKGUYYNHS-CYBMUJFWSA-N -1 0 346.261 2.382 20 5 EEBDRM COc1ccc(CNC(=O)NCCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000414618369 313049625 /nfs/dbraw/zinc/04/96/25/313049625.db2.gz SAFIFLLVCFNJGV-UHFFFAOYSA-N -1 0 339.348 2.048 20 5 EEBDRM C[S@](=O)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436714432 314991533 /nfs/dbraw/zinc/99/15/33/314991533.db2.gz UFHMWJLXAIVCIQ-DEOSSOPVSA-N -1 0 348.380 2.109 20 5 EEBDRM C[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000514677772 316411430 /nfs/dbraw/zinc/41/14/30/316411430.db2.gz ZJHFXVHIJCXSTG-KOLCDFICSA-N -1 0 342.373 2.008 20 5 EEBDRM Cc1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000515302248 316477967 /nfs/dbraw/zinc/47/79/67/316477967.db2.gz NQEAWOMOLGGCSM-ZBEGNZNMSA-N -1 0 336.344 2.351 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000515642972 316509988 /nfs/dbraw/zinc/50/99/88/316509988.db2.gz DEKNWBCPHWZPSG-UHIISALHSA-N -1 0 335.360 2.408 20 5 EEBDRM Cc1cc(C([O-])=CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1C ZINC000526020253 317106964 /nfs/dbraw/zinc/10/69/64/317106964.db2.gz WJLDJUBKMWWIDI-UHFFFAOYSA-N -1 0 336.369 2.207 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000537768903 318026573 /nfs/dbraw/zinc/02/65/73/318026573.db2.gz NWSLBHPDQPGHBD-NSHDSACASA-N -1 0 347.371 2.420 20 5 EEBDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000564972287 319134217 /nfs/dbraw/zinc/13/42/17/319134217.db2.gz HFFUHZHALZFCMQ-UHFFFAOYSA-N -1 0 326.334 2.076 20 5 EEBDRM C[C@H](O)CC(C)(C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565012663 319138114 /nfs/dbraw/zinc/13/81/14/319138114.db2.gz BBGYDHYOJJYRRW-QMMMGPOBSA-N -1 0 330.768 2.481 20 5 EEBDRM C[C@@H](O)CC(C)(C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565012659 319138229 /nfs/dbraw/zinc/13/82/29/319138229.db2.gz BBGYDHYOJJYRRW-MRVPVSSYSA-N -1 0 330.768 2.481 20 5 EEBDRM CCCCCN(CC(N)=O)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565019198 319139533 /nfs/dbraw/zinc/13/95/33/319139533.db2.gz DEMVLAMCGIPATE-UHFFFAOYSA-N -1 0 343.767 2.072 20 5 EEBDRM O=C(NC[C@H]1CCCC[C@@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565025005 319139938 /nfs/dbraw/zinc/13/99/38/319139938.db2.gz OSLIUYWQROFXBN-PELKAZGASA-N -1 0 328.752 2.235 20 5 EEBDRM CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565060326 319145283 /nfs/dbraw/zinc/14/52/83/319145283.db2.gz AIOGAANFFHSCJV-UWVGGRQHSA-N -1 0 342.373 2.102 20 5 EEBDRM CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@]12CCCO2 ZINC000566296798 319271394 /nfs/dbraw/zinc/27/13/94/319271394.db2.gz HDELZHJAFSDFOJ-LZWOXQAQSA-N -1 0 336.344 2.432 20 5 EEBDRM CC1(C)[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]2CCO[C@@H]21 ZINC000567050191 319343617 /nfs/dbraw/zinc/34/36/17/319343617.db2.gz FYMGLCJBHAWVKE-CKLFPEKLSA-N -1 0 340.763 2.497 20 5 EEBDRM C[C@](CO)(CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000567978757 319440211 /nfs/dbraw/zinc/44/02/11/319440211.db2.gz QUZSNTHNMPZHGW-QGZVFWFLSA-N -1 0 345.355 2.341 20 5 EEBDRM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568513659 319495595 /nfs/dbraw/zinc/49/55/95/319495595.db2.gz JTTZSHSNOJOLHF-PSASIEDQSA-N -1 0 328.752 2.235 20 5 EEBDRM CCO[C@@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000570048006 319631882 /nfs/dbraw/zinc/63/18/82/319631882.db2.gz CZBAAAGFMFFITI-SQWLQELKSA-N -1 0 336.344 2.432 20 5 EEBDRM C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000570847322 319703828 /nfs/dbraw/zinc/70/38/28/319703828.db2.gz GMNCSAFKUGVUGH-ZBEGNZNMSA-N -1 0 336.344 2.067 20 5 EEBDRM Cn1cc([C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2(C)C)cn1 ZINC000575933082 320126622 /nfs/dbraw/zinc/12/66/22/320126622.db2.gz BRLULVCSOZUKTG-CYBMUJFWSA-N -1 0 344.371 2.300 20 5 EEBDRM Cc1cc(N2CCC[C@@H](c3nncn3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576468782 320175050 /nfs/dbraw/zinc/17/50/50/320175050.db2.gz JNDGEVNCXSCPGT-LLVKDONJSA-N -1 0 345.359 2.114 20 5 EEBDRM Cc1cn2c(n1)[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])CCC2 ZINC000576878099 320212197 /nfs/dbraw/zinc/21/21/97/320212197.db2.gz YFHZBULUJAIPFY-SNVBAGLBSA-N -1 0 331.332 2.182 20 5 EEBDRM O=C([O-])c1cnc(NCCc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 ZINC000576946895 320218641 /nfs/dbraw/zinc/21/86/41/320218641.db2.gz YJIKORZRVGJVAI-UHFFFAOYSA-N -1 0 329.312 2.278 20 5 EEBDRM O=C([O-])c1ccnc(N2CC[C@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000576993677 320222813 /nfs/dbraw/zinc/22/28/13/320222813.db2.gz BCAOZTKUKNDVGR-QGZVFWFLSA-N -1 0 341.323 2.324 20 5 EEBDRM NC(=O)c1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000181536777 323348921 /nfs/dbraw/zinc/34/89/21/323348921.db2.gz RKBBMSZMFJUTJD-UHFFFAOYSA-N -1 0 335.703 2.305 20 5 EEBDRM O=C([O-])c1cc(NC[C@H](O)COc2ccccc2)ccc1[N+](=O)[O-] ZINC000579751022 323922785 /nfs/dbraw/zinc/92/27/85/323922785.db2.gz DZEACRNFCXQLBF-LBPRGKRZSA-N -1 0 332.312 2.145 20 5 EEBDRM O=C([O-])c1ccnc(N[C@@H]2CCO[C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000583937459 324763129 /nfs/dbraw/zinc/76/31/29/324763129.db2.gz NKNINVHKLWKFGG-YPMHNXCESA-N -1 0 344.327 2.415 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC(C)(C)[C@H](O)C(C)C)n1 ZINC000521881179 449024365 /nfs/dbraw/zinc/02/43/65/449024365.db2.gz SXHNDMZRYCLADG-GFCCVEGCSA-N -1 0 325.365 2.451 20 5 EEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000183902475 464924474 /nfs/dbraw/zinc/92/44/74/464924474.db2.gz KZEAZOLCSBTSGI-JTQLQIEISA-N -1 0 333.344 2.030 20 5 EEBDRM CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000339060725 465057646 /nfs/dbraw/zinc/05/76/46/465057646.db2.gz NVWUSUMGUYIWIM-UHFFFAOYSA-N -1 0 335.404 2.475 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(O)c1 ZINC000336873646 465066195 /nfs/dbraw/zinc/06/61/95/465066195.db2.gz UHJRYDWSDPAPBT-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C([O-])Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000336876127 465069192 /nfs/dbraw/zinc/06/91/92/465069192.db2.gz AYDBFXWOHKCLMH-UHFFFAOYSA-N -1 0 330.296 2.239 20 5 EEBDRM COc1cc(C(=O)NCCc2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000336888530 465083498 /nfs/dbraw/zinc/08/34/98/465083498.db2.gz JXDMEPYJZRDEKO-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000337180060 465230906 /nfs/dbraw/zinc/23/09/06/465230906.db2.gz LWTWHJDHTSLVHY-LBPRGKRZSA-N -1 0 344.389 2.304 20 5 EEBDRM O=C(N[C@H](CO)c1c(F)cccc1F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000351671637 465284680 /nfs/dbraw/zinc/28/46/80/465284680.db2.gz FDUOTARXMLLJRL-LLVKDONJSA-N -1 0 338.266 2.042 20 5 EEBDRM Cc1noc2ncc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc12 ZINC000128947108 462680443 /nfs/dbraw/zinc/68/04/43/462680443.db2.gz GQGMZLDYQHNZRW-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000091021380 462821323 /nfs/dbraw/zinc/82/13/23/462821323.db2.gz VDIJDGXJXYXWNA-UHFFFAOYSA-N -1 0 338.389 2.254 20 5 EEBDRM O=C(NCCOc1ncccc1Cl)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000134308423 463023863 /nfs/dbraw/zinc/02/38/63/463023863.db2.gz UMXZXAMWOAUSRZ-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000031669427 463350030 /nfs/dbraw/zinc/35/00/30/463350030.db2.gz CZJQIGYTPCSFQR-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM CC(C)c1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000160642832 463357523 /nfs/dbraw/zinc/35/75/23/463357523.db2.gz WFXIXPVRINLAOK-UHFFFAOYSA-N -1 0 328.325 2.381 20 5 EEBDRM COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc21 ZINC000071898243 463462472 /nfs/dbraw/zinc/46/24/72/463462472.db2.gz WYRGDXHRDYHJMB-GFCCVEGCSA-N -1 0 342.307 2.217 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c([N+](=O)[O-])c1 ZINC000072027185 463481039 /nfs/dbraw/zinc/48/10/39/463481039.db2.gz JODAXTQFWMLDFM-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](O)Cc1ccccc1 ZINC000163666659 463601307 /nfs/dbraw/zinc/60/13/07/463601307.db2.gz LAQHKOGEIOCBDH-ABAIWWIYSA-N -1 0 330.340 2.022 20 5 EEBDRM COc1ccc(OC)c(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000579479332 468365484 /nfs/dbraw/zinc/36/54/84/468365484.db2.gz VKHHZXRDRQMRGE-UHFFFAOYSA-N -1 0 347.327 2.360 20 5 EEBDRM CC(=O)Nc1ccc(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000164532794 463624806 /nfs/dbraw/zinc/62/48/06/463624806.db2.gz CANNQOWIKSVRSZ-UHFFFAOYSA-N -1 0 343.339 2.231 20 5 EEBDRM Cc1ccc(-c2nc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n[nH]2)o1 ZINC000164965834 463637094 /nfs/dbraw/zinc/63/70/94/463637094.db2.gz GGINRRJMFWRQAM-UHFFFAOYSA-N -1 0 329.272 2.239 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)CCCC(=O)[O-])c1 ZINC000590897678 468368585 /nfs/dbraw/zinc/36/85/85/468368585.db2.gz KPVKRDKXSGUNNA-SNVBAGLBSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])c1csc(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000255373683 463722304 /nfs/dbraw/zinc/72/23/04/463722304.db2.gz FWMDMFGAGOSAPB-PLNGDYQASA-N -1 0 333.325 2.079 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CCC(=O)[O-])cc1C ZINC000261638325 463812235 /nfs/dbraw/zinc/81/22/35/463812235.db2.gz CSUWNBYRTVGPPD-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2ccccc2F)CC1 ZINC000194740010 463921137 /nfs/dbraw/zinc/92/11/37/463921137.db2.gz DBOKFPQVFRRMFK-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM CC(C)CO[C@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000262072357 463940220 /nfs/dbraw/zinc/94/02/20/463940220.db2.gz FQYRJWPVCTVTQB-AWEZNQCLSA-N -1 0 336.344 2.180 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2nnc(CC(C)C)o2)ccc1[N+](=O)[O-] ZINC000194854861 463943266 /nfs/dbraw/zinc/94/32/66/463943266.db2.gz CTFSYBNTBBYWQC-UHFFFAOYSA-N -1 0 340.361 2.286 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)CC(=O)[O-])cc1SC ZINC000262221874 463976076 /nfs/dbraw/zinc/97/60/76/463976076.db2.gz ZHROGPFQLYPWMN-MRVPVSSYSA-N -1 0 342.373 2.166 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000263276608 464076208 /nfs/dbraw/zinc/07/62/08/464076208.db2.gz WTAGXFUOOAVHNO-SECBINFHSA-N -1 0 334.250 2.347 20 5 EEBDRM O=C(Nc1nncn1-c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000179696977 464173643 /nfs/dbraw/zinc/17/36/43/464173643.db2.gz SGNKVBFCLODOOF-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])nc2)cc1[N+](=O)[O-] ZINC000237517364 464332817 /nfs/dbraw/zinc/33/28/17/464332817.db2.gz NXVVGTGEJPHLOA-SNVBAGLBSA-N -1 0 329.312 2.487 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182094858 464569234 /nfs/dbraw/zinc/56/92/34/464569234.db2.gz MBFWTONCDNIQRM-LBPRGKRZSA-N -1 0 345.359 2.280 20 5 EEBDRM CC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])nc1C ZINC000182167685 464588516 /nfs/dbraw/zinc/58/85/16/464588516.db2.gz JHTKBDKOGHVSNX-UHFFFAOYSA-N -1 0 329.312 2.136 20 5 EEBDRM C[C@@H](COCC1CC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000593859652 468410871 /nfs/dbraw/zinc/41/08/71/468410871.db2.gz WVFQAJNQFJIQHD-QMMMGPOBSA-N -1 0 328.752 2.499 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000248474282 464756270 /nfs/dbraw/zinc/75/62/70/464756270.db2.gz LRRXBVNOVMBGMG-HIBRMCEJSA-N -1 0 340.401 2.110 20 5 EEBDRM CCOC(=O)[C@H](CC)N(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000276294929 464879469 /nfs/dbraw/zinc/87/94/69/464879469.db2.gz XILZGTJSZUOZMS-LBPRGKRZSA-N -1 0 336.344 2.247 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1O ZINC000351757248 465342876 /nfs/dbraw/zinc/34/28/76/465342876.db2.gz SXPUAGVYWOCVRQ-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C(N=c1nc(-c2cccnc2)[n-]s1)c1csc([N+](=O)[O-])c1 ZINC000339600038 465376020 /nfs/dbraw/zinc/37/60/20/465376020.db2.gz GNZIDARJNUAOCV-UHFFFAOYSA-N -1 0 333.354 2.244 20 5 EEBDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC000337787678 465581479 /nfs/dbraw/zinc/58/14/79/465581479.db2.gz YIWYQJCDAADNJW-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM CC(C)(C)CCS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000357135053 465802267 /nfs/dbraw/zinc/80/22/67/465802267.db2.gz XNPSAGFUQPBEAG-UHFFFAOYSA-N -1 0 330.362 2.471 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(N2CCNC2=O)cc1 ZINC000340546916 466165680 /nfs/dbraw/zinc/16/56/80/466165680.db2.gz PNNLMSYQJPGXEB-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM O=C([O-])c1cccc(NC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)c1 ZINC000569366732 468481824 /nfs/dbraw/zinc/48/18/24/468481824.db2.gz HTALASUASTUOTO-UHFFFAOYSA-N -1 0 343.343 2.164 20 5 EEBDRM CNc1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000555745300 468493017 /nfs/dbraw/zinc/49/30/17/468493017.db2.gz KADYLGLSAZABOT-BDJLRTHQSA-N -1 0 335.360 2.400 20 5 EEBDRM Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000347306606 466552167 /nfs/dbraw/zinc/55/21/67/466552167.db2.gz KOCVJEOLWFZYKM-UHFFFAOYSA-N -1 0 330.256 2.103 20 5 EEBDRM Cc1nc(=NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])s[n-]1 ZINC000362140446 466584015 /nfs/dbraw/zinc/58/40/15/466584015.db2.gz SNLFDRNOGLHLLD-ZCFIWIBFSA-N -1 0 342.764 2.236 20 5 EEBDRM O=c1[n-]c([C@@H]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000377527581 467080761 /nfs/dbraw/zinc/08/07/61/467080761.db2.gz YDKQZYJIRRCETN-SNVBAGLBSA-N -1 0 337.767 2.452 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000432466663 467244184 /nfs/dbraw/zinc/24/41/84/467244184.db2.gz UHJZJPMYXHBCTH-VIFPVBQESA-N -1 0 344.327 2.282 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000398933322 467451785 /nfs/dbraw/zinc/45/17/85/467451785.db2.gz TWXCUIUKTBFVKS-IUCAKERBSA-N -1 0 325.296 2.308 20 5 EEBDRM COc1c(C(=O)N=c2nc(C(C)(C)C)[n-]s2)cccc1[N+](=O)[O-] ZINC000475594512 467992660 /nfs/dbraw/zinc/99/26/60/467992660.db2.gz ZAYHIMMOAYSXHJ-UHFFFAOYSA-N -1 0 336.373 2.427 20 5 EEBDRM C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000517028511 468066794 /nfs/dbraw/zinc/06/67/94/468066794.db2.gz GJTOMQBYMAELAJ-JOYOIKCWSA-N -1 0 342.373 2.150 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](C)Oc2ccccc2)n1 ZINC000565482984 468131988 /nfs/dbraw/zinc/13/19/88/468131988.db2.gz BMANFCUNPVVYOS-NSHDSACASA-N -1 0 331.328 2.876 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3cccc(F)c32)ccc1[O-] ZINC000489584884 468152368 /nfs/dbraw/zinc/15/23/68/468152368.db2.gz LRHXUTAJMGPPTP-UHFFFAOYSA-N -1 0 338.316 2.191 20 5 EEBDRM C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@@H]1C ZINC000592136527 468634415 /nfs/dbraw/zinc/63/44/15/468634415.db2.gz KIPHOFHSTXSEMO-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C1CCCC1 ZINC000592140778 468635940 /nfs/dbraw/zinc/63/59/40/468635940.db2.gz YBSIDPYXJBWHRW-SECBINFHSA-N -1 0 342.373 2.150 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000595251975 468793679 /nfs/dbraw/zinc/79/36/79/468793679.db2.gz QVHJJZJLGREECB-LLVKDONJSA-N -1 0 343.339 2.374 20 5 EEBDRM Cc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C(=O)[O-])c1C ZINC000562620819 469009490 /nfs/dbraw/zinc/00/94/90/469009490.db2.gz YMIZYFMFNVLJFR-CQSZACIVSA-N -1 0 331.328 2.106 20 5 EEBDRM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000614898121 469086736 /nfs/dbraw/zinc/08/67/36/469086736.db2.gz NIMJJKOTPRSPTB-ZDUSSCGKSA-N -1 0 348.277 2.484 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000610845541 469087375 /nfs/dbraw/zinc/08/73/75/469087375.db2.gz VKVVVZLHRVWOHH-CQSZACIVSA-N -1 0 333.344 2.165 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H](O)[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000595978809 469104753 /nfs/dbraw/zinc/10/47/53/469104753.db2.gz PAYBPCXMZSZOLO-NRZXQICZSA-N -1 0 334.250 2.250 20 5 EEBDRM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563194570 469193934 /nfs/dbraw/zinc/19/39/34/469193934.db2.gz MWZPJGBJZMWZNE-XLKFXECMSA-N -1 0 328.752 2.235 20 5 EEBDRM C[C@@H]1OCC[C@]12CN(c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000563214485 469201824 /nfs/dbraw/zinc/20/18/24/469201824.db2.gz WQKZASIJXOXMPY-GDLVEWKHSA-N -1 0 336.344 2.066 20 5 EEBDRM CO[C@H]1C[C@H](C(=O)[O-])N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000563283540 469221200 /nfs/dbraw/zinc/22/12/00/469221200.db2.gz PBTCYQZWMBQDBO-UONOGXRCSA-N -1 0 338.360 2.056 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000619466233 469615642 /nfs/dbraw/zinc/61/56/42/469615642.db2.gz ZCJLOBMDPRNGFR-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM O=C([O-])CN(C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000619541905 469634741 /nfs/dbraw/zinc/63/47/41/469634741.db2.gz ZQDUKLCYCMBQLM-UHFFFAOYSA-N -1 0 335.360 2.176 20 5 EEBDRM CN(C)c1noc([C@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000339157469 485637871 /nfs/dbraw/zinc/63/78/71/485637871.db2.gz IEUFQWYELHGLEY-NSHDSACASA-N -1 0 347.375 2.129 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000136130008 534534990 /nfs/dbraw/zinc/53/49/90/534534990.db2.gz JTYSGBRCUCLODL-LBPRGKRZSA-N -1 0 335.360 2.110 20 5 EEBDRM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000155040145 528607765 /nfs/dbraw/zinc/60/77/65/528607765.db2.gz HCPNFJWDGZYLKW-CYBMUJFWSA-N -1 0 348.396 2.055 20 5 EEBDRM Cc1c(C(=O)N(C)c2nc(CC(=O)[O-])cs2)cccc1[N+](=O)[O-] ZINC000738258256 578006418 /nfs/dbraw/zinc/00/64/18/578006418.db2.gz CEVWKRYKEZUIIB-UHFFFAOYSA-N -1 0 335.341 2.263 20 5 EEBDRM O=C([O-])N1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000739387592 576015217 /nfs/dbraw/zinc/01/52/17/576015217.db2.gz KNKRNTYEVWYURX-QMMMGPOBSA-N -1 0 327.724 2.120 20 5 EEBDRM COc1ccc(CN2C[C@H](C(=O)[O-])Oc3ccccc32)cc1[N+](=O)[O-] ZINC000738002527 576066836 /nfs/dbraw/zinc/06/68/36/576066836.db2.gz BTGNTCQUFFXLKH-MRXNPFEDSA-N -1 0 344.323 2.456 20 5 EEBDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000738276845 576266738 /nfs/dbraw/zinc/26/67/38/576266738.db2.gz CGNXEMVAFJXNLY-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCSc3ncccc32)cc([N+](=O)[O-])c1 ZINC000738673558 577085320 /nfs/dbraw/zinc/08/53/20/577085320.db2.gz RPDMZIUFZCYLRV-UHFFFAOYSA-N -1 0 345.336 2.441 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000733060427 577201331 /nfs/dbraw/zinc/20/13/31/577201331.db2.gz VZULWGWNJUNNQF-UHFFFAOYSA-N -1 0 328.390 2.020 20 5 EEBDRM CCOc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C(N)=O)c1 ZINC000773102884 577315946 /nfs/dbraw/zinc/31/59/46/577315946.db2.gz NPWBDFULNZNKOQ-UHFFFAOYSA-N -1 0 345.311 2.050 20 5 EEBDRM COc1nc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cc(=O)[n-]1 ZINC000770510585 577597783 /nfs/dbraw/zinc/59/77/83/577597783.db2.gz BYYGJYYPNPMZEU-UHFFFAOYSA-N -1 0 339.691 2.109 20 5 EEBDRM C[C@@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000770777511 577603436 /nfs/dbraw/zinc/60/34/36/577603436.db2.gz VXLJHBHCALENEC-YIXGCBLDSA-N -1 0 342.348 2.285 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cccc(C)c2O)ccc1[N+](=O)[O-] ZINC000759165787 577638375 /nfs/dbraw/zinc/63/83/75/577638375.db2.gz WUTNUGRIHQZDME-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C([O-])c1cc(F)ccc1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000740077076 578079785 /nfs/dbraw/zinc/07/97/85/578079785.db2.gz DOPOVYHLANGJKU-UHFFFAOYSA-N -1 0 332.243 2.388 20 5 EEBDRM O=C([O-])c1coc(C(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000740271021 578088466 /nfs/dbraw/zinc/08/84/66/578088466.db2.gz ZDTNPUJSBBKBFN-UHFFFAOYSA-N -1 0 342.267 2.027 20 5 EEBDRM Cc1c(Br)cc(C(=O)N(C)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000820934317 597383604 /nfs/dbraw/zinc/38/36/04/597383604.db2.gz XFLSBBOKBMGHLY-ZETCQYMHSA-N -1 0 345.149 2.211 20 5 EEBDRM O=C([O-])C1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000238086531 600381728 /nfs/dbraw/zinc/38/17/28/600381728.db2.gz YNJKPHREQPOJCT-UHFFFAOYSA-N -1 0 326.736 2.304 20 5 EEBDRM Cc1cc(OS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000832900477 600696153 /nfs/dbraw/zinc/69/61/53/600696153.db2.gz AVDRQSBNBDMDLD-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM COc1ccc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000832319009 600904878 /nfs/dbraw/zinc/90/48/78/600904878.db2.gz OXWXKTRUJSPYBC-NWDGAFQWSA-N -1 0 336.344 2.111 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccn1 ZINC000833126190 600913168 /nfs/dbraw/zinc/91/31/68/600913168.db2.gz JEEVPOMHRCWQFI-CQSZACIVSA-N -1 0 341.279 2.292 20 5 EEBDRM CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000830523975 601154322 /nfs/dbraw/zinc/15/43/22/601154322.db2.gz RLABDLMEQCIFRN-UHFFFAOYSA-N -1 0 345.149 2.293 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000833235017 601559871 /nfs/dbraw/zinc/55/98/71/601559871.db2.gz UJMQMAXXGBZXNE-UHFFFAOYSA-N -1 0 347.302 2.246 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1F ZINC000833126727 601736089 /nfs/dbraw/zinc/73/60/89/601736089.db2.gz SOONCGRIQOEAKP-CYBMUJFWSA-N -1 0 336.250 2.429 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000833090270 602014111 /nfs/dbraw/zinc/01/41/11/602014111.db2.gz FAIGWZMLQKCFQA-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM CCCNC(=O)CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000829508184 602253129 /nfs/dbraw/zinc/25/31/29/602253129.db2.gz OSCZDBPSIRRWAI-UHFFFAOYSA-N -1 0 329.740 2.275 20 5 EEBDRM O=C([O-])c1ccc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cc1F ZINC000833317797 602310008 /nfs/dbraw/zinc/31/00/08/602310008.db2.gz IUKARGLEGHXGMG-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM Cc1cc(N2CCC[C@@H](NC(=O)C(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890459 602315964 /nfs/dbraw/zinc/31/59/64/602315964.db2.gz FELDFSUFIQCCTI-GFCCVEGCSA-N -1 0 349.387 2.342 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000827011308 604451421 /nfs/dbraw/zinc/45/14/21/604451421.db2.gz NVYDNAMTCVLHDR-GFCCVEGCSA-N -1 0 344.751 2.198 20 5 EEBDRM CC(C)OC[C@@H](O)COc1c(C(=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC000833503995 604536287 /nfs/dbraw/zinc/53/62/87/604536287.db2.gz XBBFXJFKGPOXER-SECBINFHSA-N -1 0 333.724 2.111 20 5 EEBDRM CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000833459366 604877083 /nfs/dbraw/zinc/87/70/83/604877083.db2.gz UBJLCUGJXPEGRX-UHFFFAOYSA-N -1 0 334.250 2.454 20 5 EEBDRM O=C([O-])N1CCC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000831594159 605710950 /nfs/dbraw/zinc/71/09/50/605710950.db2.gz ZSFBMFSZNRMWHZ-QMMMGPOBSA-N -1 0 327.724 2.120 20 5 EEBDRM CCn1nc(C)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000120269338 674844931 /nfs/dbraw/zinc/84/49/31/674844931.db2.gz HSSKLCFTJHKVLN-UHFFFAOYSA-N -1 0 330.391 2.290 20 5 EEBDRM O=C([N-]S(=O)(=O)/C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000255776995 679879876 /nfs/dbraw/zinc/87/98/76/679879876.db2.gz WJKWXXCNMXDBSG-KHPPLWFESA-N -1 0 332.337 2.325 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000134663732 1202322866 /nfs/dbraw/zinc/32/28/66/1202322866.db2.gz GEAFUQRMWZBNKR-UHFFFAOYSA-N -1 0 344.295 2.166 20 5 EEBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000778829824 1208367506 /nfs/dbraw/zinc/36/75/06/1208367506.db2.gz PFZPDOUWWXNKQW-UHFFFAOYSA-N -1 0 348.380 2.092 20 5 EEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000084460608 1211553902 /nfs/dbraw/zinc/55/39/02/1211553902.db2.gz GXVRAAVCMHJIPI-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM CCOc1cc(-c2noc(-c3nc[n-]c3[N+](=O)[O-])n2)ccc1OC ZINC001212893236 1214379025 /nfs/dbraw/zinc/37/90/25/1214379025.db2.gz SREKDTPBTKWPPP-UHFFFAOYSA-N -1 0 331.288 2.442 20 5 EEBDRM CS[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795896485 1215148861 /nfs/dbraw/zinc/14/88/61/1215148861.db2.gz PPHNCXXCZCKXRQ-ZCFIWIBFSA-N -1 0 342.801 2.417 20 5 EEBDRM Cc1cc(C)cc([C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000801537563 1235800307 /nfs/dbraw/zinc/80/03/07/1235800307.db2.gz UVAWJTGKGIUIJF-INIZCTEOSA-N -1 0 330.340 2.381 20 5 EEBDRM COc1ncc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)cc1C ZINC001213596090 1296102687 /nfs/dbraw/zinc/10/26/87/1296102687.db2.gz LLQCULLFFISVJX-UHFFFAOYSA-N -1 0 329.272 2.124 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H](C)CCC(C)C)c1[N+](=O)[O-] ZINC001226020634 1301236217 /nfs/dbraw/zinc/23/62/17/1301236217.db2.gz KCSDBUPIAZAAFL-SECBINFHSA-N -1 0 327.337 2.471 20 5 EEBDRM O=C(c1ccco1)[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccco1 ZINC001226330949 1301360847 /nfs/dbraw/zinc/36/08/47/1301360847.db2.gz FZBIQVFARPGQON-LBPRGKRZSA-N -1 0 331.240 2.279 20 5 EEBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C)[n-]1 ZINC001231263826 1303710221 /nfs/dbraw/zinc/71/02/21/1303710221.db2.gz MLYCAQYGHIRODF-MWLCHTKSSA-N -1 0 339.348 2.390 20 5 EEBDRM Cn1nc(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])c2c1CCCC2 ZINC000838274370 1315147821 /nfs/dbraw/zinc/14/78/21/1315147821.db2.gz MAWGGPRQUSKQOX-UHFFFAOYSA-N -1 0 331.328 2.270 20 5 EEBDRM CCS(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840955349 1315445317 /nfs/dbraw/zinc/44/53/17/1315445317.db2.gz VPRFOVWJSSASPE-VIFPVBQESA-N -1 0 330.259 2.277 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000842405614 1315698447 /nfs/dbraw/zinc/69/84/47/1315698447.db2.gz LQUMITQVJZRPAG-LBPRGKRZSA-N -1 0 338.385 2.206 20 5 EEBDRM Cn1cc(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)cn1 ZINC001259826986 1319697099 /nfs/dbraw/zinc/69/70/99/1319697099.db2.gz WHOIMLANSNOXBG-UHFFFAOYSA-N -1 0 339.380 2.317 20 5 EEBDRM Cc1ccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c(N)c1[N+](=O)[O-] ZINC001600457169 1350056543 /nfs/dbraw/zinc/05/65/43/1350056543.db2.gz OKVBFDRMXOCPFS-DAXSKMNVSA-N -1 0 331.284 2.429 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2C[C@@H](CO)c3ccccc32)cc([N+](=O)[O-])c1 ZINC001602241997 1350474262 /nfs/dbraw/zinc/47/42/62/1350474262.db2.gz KOMSBYLPOMLKAZ-LBPRGKRZSA-N -1 0 342.307 2.029 20 5 EEBDRM C[C@H](CS(=O)(=O)Oc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC001604209838 1350893466 /nfs/dbraw/zinc/89/34/66/1350893466.db2.gz PSQFNAPWAKHUED-MRVPVSSYSA-N -1 0 329.330 2.048 20 5 EEBDRM O=C([O-])c1cc(COC(=O)CSc2ccc([N+](=O)[O-])cc2)on1 ZINC001608354045 1351677138 /nfs/dbraw/zinc/67/71/38/1351677138.db2.gz GRGYNFOHKYDKPM-UHFFFAOYSA-N -1 0 338.297 2.117 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001608623113 1351728139 /nfs/dbraw/zinc/72/81/39/1351728139.db2.gz LRMPVFJDBWCONH-DTWKUNHWSA-N -1 0 338.272 2.299 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NC[C@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC001608660733 1351736437 /nfs/dbraw/zinc/73/64/37/1351736437.db2.gz AGHACPKPWKKNFH-DBGMKRSLSA-N -1 0 345.355 2.115 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1F ZINC001608901822 1351790391 /nfs/dbraw/zinc/79/03/91/1351790391.db2.gz DFUXIKRSNRISKZ-UHFFFAOYSA-N -1 0 328.643 2.061 20 5 EEBDRM O=C([O-])c1cccc(OS(=O)(=O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001608937635 1351798478 /nfs/dbraw/zinc/79/84/78/1351798478.db2.gz IRKHRGCBGHSAPS-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001322377653 1333256162 /nfs/dbraw/zinc/25/61/62/1333256162.db2.gz VLDLERFKFSXBAT-UHFFFAOYSA-N -1 0 338.389 2.427 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)[O-] ZINC001609899274 1352114265 /nfs/dbraw/zinc/11/42/65/1352114265.db2.gz BMOPNBKKHCWCBN-QMTHXVAHSA-N -1 0 346.343 2.010 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)COc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001609905909 1352116174 /nfs/dbraw/zinc/11/61/74/1352116174.db2.gz WTNSPTJMIRQBCF-AMIZOPFISA-N -1 0 344.751 2.243 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1oncc1C(=O)[O-] ZINC001610046339 1352148720 /nfs/dbraw/zinc/14/87/20/1352148720.db2.gz QYZFSBCCAOVCKD-UHFFFAOYSA-N -1 0 336.256 2.037 20 5 EEBDRM COC(=O)[C@@H](C)CN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001610151026 1352173432 /nfs/dbraw/zinc/17/34/32/1352173432.db2.gz VBENVCXCMFSEMD-ZETCQYMHSA-N -1 0 330.724 2.192 20 5 EEBDRM COC(=O)[C@@]1(C)CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001610158918 1352175600 /nfs/dbraw/zinc/17/56/00/1352175600.db2.gz NYGISYYJJDNPGE-INIZCTEOSA-N -1 0 336.344 2.001 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC001610214251 1352187367 /nfs/dbraw/zinc/18/73/67/1352187367.db2.gz PEWQGGOSLSOLGD-IINYFYTJSA-N -1 0 336.344 2.067 20 5 EEBDRM COc1c(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cccc1[N+](=O)[O-] ZINC001610276841 1352198306 /nfs/dbraw/zinc/19/83/06/1352198306.db2.gz GRUKXEVPAGZTDS-UHFFFAOYSA-N -1 0 348.311 2.475 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCN2Cc3ccccc3C2)n1 ZINC001610437373 1352222268 /nfs/dbraw/zinc/22/22/68/1352222268.db2.gz QKEWMRDHLMDECZ-UHFFFAOYSA-N -1 0 342.355 2.424 20 5 EEBDRM Cc1ccc(OS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001610511100 1352236314 /nfs/dbraw/zinc/23/63/14/1352236314.db2.gz YPTXRCJOSKNTST-WCQYABFASA-N -1 0 343.357 2.255 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC001610685527 1352260075 /nfs/dbraw/zinc/26/00/75/1352260075.db2.gz FQKAWJZFFCSLGJ-SNVBAGLBSA-N -1 0 338.316 2.394 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001610838234 1352282997 /nfs/dbraw/zinc/28/29/97/1352282997.db2.gz QRIIJNKUJLKFSL-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001610881225 1352290072 /nfs/dbraw/zinc/29/00/72/1352290072.db2.gz SNDZEHRCEYWBPP-UHFFFAOYSA-N -1 0 347.283 2.212 20 5 EEBDRM CC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000835154702 1372596956 /nfs/dbraw/zinc/59/69/56/1372596956.db2.gz HYXCNJKJUQSHBT-PSASIEDQSA-N -1 0 332.403 2.288 20 5 EEBDRM O=[N+]([O-])c1cn(C[C@H]2CCCc3ccccc32)nc1-c1nnn[n-]1 ZINC001593486782 1349815499 /nfs/dbraw/zinc/81/54/99/1349815499.db2.gz LWFKFQPBIXJROA-LLVKDONJSA-N -1 0 325.332 2.092 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)n1C ZINC001599991250 1349950570 /nfs/dbraw/zinc/95/05/70/1349950570.db2.gz NSDFWJWIAILMIV-UHFFFAOYSA-N -1 0 345.355 2.189 20 5 EEBDRM Cc1c(NC(=O)N2CCCO[C@@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600036658 1349959333 /nfs/dbraw/zinc/95/93/33/1349959333.db2.gz CWQMABLRVLMZLO-VIFPVBQESA-N -1 0 337.332 2.244 20 5 EEBDRM Cc1c(NC(=O)N[C@H](CO)C(C)(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600038650 1349959746 /nfs/dbraw/zinc/95/97/46/1349959746.db2.gz CWQGZIQZVPVRIL-GFCCVEGCSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1cc(C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600094581 1349969684 /nfs/dbraw/zinc/96/96/84/1349969684.db2.gz KKMYEFVUXLLPFE-OAHLLOKOSA-N -1 0 344.323 2.165 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001600164333 1349983907 /nfs/dbraw/zinc/98/39/07/1349983907.db2.gz KUCHESTYOCHOHU-LBPRGKRZSA-N -1 0 349.368 2.094 20 5 EEBDRM Cc1ccc(NC(=O)N[C@]2(CC(=O)[O-])CCCOC2)cc1[N+](=O)[O-] ZINC001600452144 1350055739 /nfs/dbraw/zinc/05/57/39/1350055739.db2.gz VMQGVOKYFSOMJB-HNNXBMFYSA-N -1 0 337.332 2.049 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001600489664 1350063550 /nfs/dbraw/zinc/06/35/50/1350063550.db2.gz WHNHHRVSYSHAEH-UHFFFAOYSA-N -1 0 336.344 2.186 20 5 EEBDRM Cc1cnc(N2CCC(c3cc(C(=O)[O-])on3)CC2)c([N+](=O)[O-])c1 ZINC001600624363 1350100566 /nfs/dbraw/zinc/10/05/66/1350100566.db2.gz WBNAGWLFGVWVSH-UHFFFAOYSA-N -1 0 332.316 2.368 20 5 EEBDRM Cc1csc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1C(=O)[O-] ZINC001600664038 1350112681 /nfs/dbraw/zinc/11/26/81/1350112681.db2.gz VUNMLNZQEWTZHL-UHFFFAOYSA-N -1 0 338.345 2.197 20 5 EEBDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001600787643 1350137507 /nfs/dbraw/zinc/13/75/07/1350137507.db2.gz SKELTFDVUUJASC-UHFFFAOYSA-N -1 0 346.343 2.064 20 5 EEBDRM Cc1nnc([C@@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001600792008 1350138332 /nfs/dbraw/zinc/13/83/32/1350138332.db2.gz DTSAQUZPCUWEJF-ZCFIWIBFSA-N -1 0 337.313 2.371 20 5 EEBDRM Cn1cccc1[C@@H]1COCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600981288 1350181705 /nfs/dbraw/zinc/18/17/05/1350181705.db2.gz SCTRVGMOYFWDHR-INIZCTEOSA-N -1 0 345.355 2.205 20 5 EEBDRM O=C([O-])c1cc2c(cc1NC(=O)Cc1ccccc1[N+](=O)[O-])OCO2 ZINC001601370060 1350268697 /nfs/dbraw/zinc/26/86/97/1350268697.db2.gz OLMJAVBWINIZQS-UHFFFAOYSA-N -1 0 344.279 2.203 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCCC1 ZINC001601453388 1350286557 /nfs/dbraw/zinc/28/65/57/1350286557.db2.gz SZTQATVMYWUSJQ-ZDUSSCGKSA-N -1 0 335.360 2.391 20 5 EEBDRM O=C([O-])C1=CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001601498433 1350296385 /nfs/dbraw/zinc/29/63/85/1350296385.db2.gz PXFJFKGQPXQWCN-AWEZNQCLSA-N -1 0 347.371 2.390 20 5 EEBDRM O=C([O-])c1cc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccn1 ZINC001601544993 1350304969 /nfs/dbraw/zinc/30/49/69/1350304969.db2.gz KJRVSMZDJRNSMS-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])C1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC001601716933 1350346727 /nfs/dbraw/zinc/34/67/27/1350346727.db2.gz FVQCLJLOKGYPMG-UHFFFAOYSA-N -1 0 347.320 2.088 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001601823012 1350373175 /nfs/dbraw/zinc/37/31/75/1350373175.db2.gz LOOHBUIKSQTUDI-JTQLQIEISA-N -1 0 326.736 2.114 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@H](CO)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC001601881900 1350389351 /nfs/dbraw/zinc/38/93/51/1350389351.db2.gz GLTXHXCMPFLKBM-VFQZCJPISA-N -1 0 336.344 2.035 20 5 EEBDRM O=C([O-])CCSCCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001602028652 1350421640 /nfs/dbraw/zinc/42/16/40/1350421640.db2.gz JRRNGRHEQVCIEP-STQMWFEESA-N -1 0 338.385 2.022 20 5 EEBDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001602111500 1350441062 /nfs/dbraw/zinc/44/10/62/1350441062.db2.gz NSYXPZHGLAAIGA-ZJUUUORDSA-N -1 0 331.328 2.449 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CC(=O)c2ccc(Cl)s2)c1 ZINC001602299135 1350488203 /nfs/dbraw/zinc/48/82/03/1350488203.db2.gz HTUFFBAVIYOYAZ-UHFFFAOYSA-N -1 0 342.716 2.053 20 5 EEBDRM O=C([O-])c1ccc(OCCNc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC001602390793 1350509123 /nfs/dbraw/zinc/50/91/23/1350509123.db2.gz OXWHXLMBZQHUBV-UHFFFAOYSA-N -1 0 337.719 2.254 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2nccn2-c2ccccc2)n1 ZINC001602405946 1350512285 /nfs/dbraw/zinc/51/22/85/1350512285.db2.gz XEIHVUPUQJUMMF-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2C[C@@](CO)(c3ccccc3)C2)n1 ZINC001602408073 1350512759 /nfs/dbraw/zinc/51/27/59/1350512759.db2.gz NIBJAIPKRJMYQT-LAUQKZGBSA-N -1 0 343.339 2.193 20 5 EEBDRM O=C([O-])c1cccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001602432392 1350518255 /nfs/dbraw/zinc/51/82/55/1350518255.db2.gz QASADALXCYZSPW-UHFFFAOYSA-N -1 0 342.307 2.196 20 5 EEBDRM O=C([O-])c1cccc(Cn2cc([N+](=O)[O-])nc2Br)c1 ZINC001602443770 1350521037 /nfs/dbraw/zinc/52/10/37/1350521037.db2.gz XEWVZXFHQCJEBZ-UHFFFAOYSA-N -1 0 326.106 2.300 20 5 EEBDRM O=C([O-])c1cnc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC001602522236 1350538258 /nfs/dbraw/zinc/53/82/58/1350538258.db2.gz CAHZNYUQYYFVKV-UHFFFAOYSA-N -1 0 341.732 2.333 20 5 EEBDRM CC(=O)Nc1ccc(OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001603074742 1350633890 /nfs/dbraw/zinc/63/38/90/1350633890.db2.gz SQNIFSOVQKYSQP-UHFFFAOYSA-N -1 0 344.279 2.471 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001603187159 1350658624 /nfs/dbraw/zinc/65/86/24/1350658624.db2.gz DPUWFDOHIQYDJA-BMIGLBTASA-N -1 0 343.339 2.369 20 5 EEBDRM CC(C)(C)c1ccn(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(=O)n1 ZINC001603545778 1350718043 /nfs/dbraw/zinc/71/80/43/1350718043.db2.gz NELPNTCHHMUZSW-UHFFFAOYSA-N -1 0 331.328 2.196 20 5 EEBDRM CC(C)Oc1cc(C(=O)Nc2cc(C(=O)[O-])nn2C)ccc1[N+](=O)[O-] ZINC001603934039 1350804419 /nfs/dbraw/zinc/80/44/19/1350804419.db2.gz FDNTUMQPZPZSFY-UHFFFAOYSA-N -1 0 348.315 2.066 20 5 EEBDRM CC(C)c1nn(C)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001604019672 1350830886 /nfs/dbraw/zinc/83/08/86/1350830886.db2.gz GOTUAOPGTJQRIQ-UHFFFAOYSA-N -1 0 332.316 2.402 20 5 EEBDRM C[C@@H](CNC(=O)c1csc(C(=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC001604183571 1350887605 /nfs/dbraw/zinc/88/76/05/1350887605.db2.gz LCNYETCNDZQASD-QMMMGPOBSA-N -1 0 335.341 2.283 20 5 EEBDRM CC(F)(F)CCC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604249901 1350902680 /nfs/dbraw/zinc/90/26/80/1350902680.db2.gz TUGBHLIQNKSNQB-CQSZACIVSA-N -1 0 330.287 2.446 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604314918 1350913778 /nfs/dbraw/zinc/91/37/78/1350913778.db2.gz PRJWUOIGYMMGRQ-LLVKDONJSA-N -1 0 335.360 2.178 20 5 EEBDRM CC[C@H](C)CN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001604955042 1351038554 /nfs/dbraw/zinc/03/85/54/1351038554.db2.gz BJLHILVVYDWYPL-JTQLQIEISA-N -1 0 344.389 2.350 20 5 EEBDRM CCC[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001605358747 1351143942 /nfs/dbraw/zinc/14/39/42/1351143942.db2.gz ZDTHOIRZZSBTHG-QMMMGPOBSA-N -1 0 345.149 2.340 20 5 EEBDRM CCN(C(C)(C)C(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001605405236 1351155277 /nfs/dbraw/zinc/15/52/77/1351155277.db2.gz KJDHWMRTOPCUTM-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM CCOC(=O)C(CC)(CC)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001605506976 1351173915 /nfs/dbraw/zinc/17/39/15/1351173915.db2.gz BJJJQIJXCXHKGX-UHFFFAOYSA-N -1 0 339.348 2.469 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(C(=O)[O-])CCC[C@H]23)c1 ZINC001606605679 1351330790 /nfs/dbraw/zinc/33/07/90/1351330790.db2.gz KVXULVDUUCXHRW-XJKSGUPXSA-N -1 0 334.328 2.215 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC001606831175 1351363188 /nfs/dbraw/zinc/36/31/88/1351363188.db2.gz WNIMMAOOVLZVHA-INIZCTEOSA-N -1 0 338.360 2.059 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001607125267 1351429014 /nfs/dbraw/zinc/42/90/14/1351429014.db2.gz AFVKCCJTSFYWLO-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM COc1cccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)c1[N+](=O)[O-] ZINC001607305079 1351469676 /nfs/dbraw/zinc/46/96/76/1351469676.db2.gz SELAIIBCNGEUDC-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001607655682 1351534466 /nfs/dbraw/zinc/53/44/66/1351534466.db2.gz GJZMYPSHSGSVAO-CYBMUJFWSA-N -1 0 330.699 2.195 20 5 EEBDRM Cc1oc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001608048558 1351614107 /nfs/dbraw/zinc/61/41/07/1351614107.db2.gz JARDFAXLWUXEEF-UHFFFAOYSA-N -1 0 347.327 2.236 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000112493142 786062830 /nfs/dbraw/zinc/06/28/30/786062830.db2.gz ZUXHTWQUWUIZCR-SNVBAGLBSA-N -1 0 328.390 2.399 20 5 EEBDRM CC(C)n1cc(S(=O)(=O)[N-]c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000585129439 786632286 /nfs/dbraw/zinc/63/22/86/786632286.db2.gz JPXLDIBWYSBYHN-UHFFFAOYSA-N -1 0 328.325 2.312 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@](C)(O)c2ccccc2)n1 ZINC000844211120 788928802 /nfs/dbraw/zinc/92/88/02/788928802.db2.gz GWBCBQDEUMAEKJ-MRXNPFEDSA-N -1 0 331.328 2.316 20 5 EEBDRM Cc1cc(NCc2nc(C(F)(F)F)n[nH]2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844214886 788933338 /nfs/dbraw/zinc/93/33/38/788933338.db2.gz XHBRWVANAOUTGG-UHFFFAOYSA-N -1 0 345.237 2.350 20 5 EEBDRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000174123002 791971394 /nfs/dbraw/zinc/97/13/94/791971394.db2.gz VPNBUIGKWAZABX-UHFFFAOYSA-N -1 0 340.279 2.082 20 5 EEBDRM COC(=O)c1cccc(N)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504356 797784826 /nfs/dbraw/zinc/78/48/26/797784826.db2.gz AJTSJWNUDJPFJX-UHFFFAOYSA-N -1 0 331.284 2.405 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1COC2=O ZINC000808127024 812447342 /nfs/dbraw/zinc/44/73/42/812447342.db2.gz LAJPZZQYDITNRK-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM C[C@@H](C(=O)[O-])N(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000842471235 955596602 /nfs/dbraw/zinc/59/66/02/955596602.db2.gz VIVMFADWOCMWCC-QMMMGPOBSA-N -1 0 341.751 2.124 20 5 EEBDRM COC(=O)c1cc(NC(=O)CCCCC(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001593872295 955649458 /nfs/dbraw/zinc/64/94/58/955649458.db2.gz RIWCYGNSFSPTGL-UHFFFAOYSA-N -1 0 338.316 2.273 20 5 EEBDRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001588549005 959007339 /nfs/dbraw/zinc/00/73/39/959007339.db2.gz QEJDCTRVIPSCMS-SCVCMEIPSA-N -1 0 338.335 2.407 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001594192844 959172245 /nfs/dbraw/zinc/17/22/45/959172245.db2.gz IJUCLOSBSZCINP-KOLCDFICSA-N -1 0 338.385 2.500 20 5 EEBDRM Cc1ccc([C@H](C)OC(=O)c2cnc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001574381967 961108496 /nfs/dbraw/zinc/10/84/96/961108496.db2.gz LCEZFEDLZDUCRI-VIFPVBQESA-N -1 0 331.284 2.309 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001574226150 962975530 /nfs/dbraw/zinc/97/55/30/962975530.db2.gz OCROMOGUKXGBQJ-HWKANZROSA-N -1 0 346.295 2.224 20 5 EEBDRM COC(=O)c1cc(C)nc(NCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001610196731 970699927 /nfs/dbraw/zinc/69/99/27/970699927.db2.gz JQLTXOFAVGLXDD-UHFFFAOYSA-N -1 0 345.311 2.395 20 5 EEBDRM CSc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1[N+](=O)[O-] ZINC001604971687 972564444 /nfs/dbraw/zinc/56/44/44/972564444.db2.gz JJTZJWAYLLIGEZ-NXEZZACHSA-N -1 0 338.385 2.500 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001603360009 972819814 /nfs/dbraw/zinc/81/98/14/972819814.db2.gz HXXXNFLGTTWMPN-WCUVEOEZSA-N -1 0 332.356 2.268 20 5 EEBDRM Cc1ccc(CNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001605274015 973064267 /nfs/dbraw/zinc/06/42/67/973064267.db2.gz XBOSMACNDKXDNQ-MFKMUULPSA-N -1 0 335.360 2.155 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001605677208 974092476 /nfs/dbraw/zinc/09/24/76/974092476.db2.gz UAMKIGCNHPHIDF-UHFFFAOYSA-N -1 0 348.355 2.317 20 5 EEBDRM C[C@@H](/C=C\C(=O)[O-])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001592193874 977156257 /nfs/dbraw/zinc/15/62/57/977156257.db2.gz RQWIUVRSNIAWIO-ANTNXHBISA-N -1 0 342.735 2.163 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC001592574432 978471508 /nfs/dbraw/zinc/47/15/08/978471508.db2.gz QTHBWAAEBIIBAC-ZETCQYMHSA-N -1 0 334.250 2.406 20 5 EEBDRM C[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001592728185 979235227 /nfs/dbraw/zinc/23/52/27/979235227.db2.gz CFONGBYTSMQRFQ-QMMMGPOBSA-N -1 0 325.321 2.078 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000864162985 979782076 /nfs/dbraw/zinc/78/20/76/979782076.db2.gz PXXPNKDKOXOPMN-ONGXEEELSA-N -1 0 336.369 2.365 20 5 EEBDRM C[C@H](Cn1cncn1)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001592930050 979964154 /nfs/dbraw/zinc/96/41/54/979964154.db2.gz QJEMFIHNVPVNSQ-SSDOTTSWSA-N -1 0 325.712 2.039 20 5 EEBDRM CCCC[C@@H](C(=O)[O-])S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001595629224 981796702 /nfs/dbraw/zinc/79/67/02/981796702.db2.gz DZJMPGLODSPKPX-ZDUSSCGKSA-N -1 0 329.374 2.461 20 5 EEBDRM CCCC[C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595631174 981833860 /nfs/dbraw/zinc/83/38/60/981833860.db2.gz GFOLISXQXIFQDN-JTQLQIEISA-N -1 0 344.389 2.492 20 5 EEBDRM CC[C@@H](C)C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594953126 982677835 /nfs/dbraw/zinc/67/78/35/982677835.db2.gz PZIVXOXQVJXUAX-BXKDBHETSA-N -1 0 344.389 2.300 20 5 EEBDRM CCNC(=O)c1cccc(Oc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001596489427 984226846 /nfs/dbraw/zinc/22/68/46/984226846.db2.gz DMUFLKRLLKPIQF-UHFFFAOYSA-N -1 0 331.284 2.230 20 5 EEBDRM CCOC(=O)CC[C@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001596600656 984554991 /nfs/dbraw/zinc/55/49/91/984554991.db2.gz CJSKUWJIYGPYRF-QMMMGPOBSA-N -1 0 325.321 2.140 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC001589000636 984941010 /nfs/dbraw/zinc/94/10/10/984941010.db2.gz CJCDQOOEZGQZGI-WOLCWHLNSA-N -1 0 341.323 2.335 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001589001848 984945525 /nfs/dbraw/zinc/94/55/25/984945525.db2.gz MGRUNPZRWPTKNS-YIVVLYRHSA-N -1 0 330.340 2.224 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001589472773 986969245 /nfs/dbraw/zinc/96/92/45/986969245.db2.gz UGBNZRBFLLEMFI-NSHDSACASA-N -1 0 348.355 2.412 20 5 EEBDRM C[C@@H]1c2cccn2CCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594671555 986985301 /nfs/dbraw/zinc/98/53/01/986985301.db2.gz RKTZRAJAJPICGQ-GFCCVEGCSA-N -1 0 345.355 2.437 20 5 EEBDRM C[C@H]([C@@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1F)[N+](=O)[O-] ZINC001589554044 987296740 /nfs/dbraw/zinc/29/67/40/987296740.db2.gz VVICHUFFJWEUHT-ORXSELOVSA-N -1 0 325.292 2.186 20 5 EEBDRM CCc1[nH]c(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)c(C)c1C(=O)[O-] ZINC001597354793 987499068 /nfs/dbraw/zinc/49/90/68/987499068.db2.gz PJSCUKJZZXRKRL-UHFFFAOYSA-N -1 0 332.316 2.164 20 5 EEBDRM CCc1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc1C(=O)[O-] ZINC001597680860 988811094 /nfs/dbraw/zinc/81/10/94/988811094.db2.gz XJYAZPWWCBXCKE-UHFFFAOYSA-N -1 0 335.341 2.493 20 5 EEBDRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001590480027 990059705 /nfs/dbraw/zinc/05/97/05/990059705.db2.gz LMJZEQTZYFCAKL-HZSPNIEDSA-N -1 0 334.372 2.281 20 5 EEBDRM CC(C)C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001591149292 991889912 /nfs/dbraw/zinc/88/99/12/991889912.db2.gz SWKQPCQOUFFYEQ-SECBINFHSA-N -1 0 344.314 2.279 20 5 EEBDRM CC(C)CN(CCC(=O)[O-])C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001591323765 992297257 /nfs/dbraw/zinc/29/72/57/992297257.db2.gz TXGFTUCHZFDYKA-UHFFFAOYSA-N -1 0 338.360 2.323 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001599622446 994102894 /nfs/dbraw/zinc/10/28/94/994102894.db2.gz NGWFZMPKOUMVMA-HYXAFXHYSA-N -1 0 346.295 2.224 20 5 EEBDRM CNC(=O)c1ccc(NCC2(CC(=O)[O-])CCCC2)c([N+](=O)[O-])c1 ZINC001598659028 994567620 /nfs/dbraw/zinc/56/76/20/994567620.db2.gz SDIXWXUGTCXPRF-UHFFFAOYSA-N -1 0 335.360 2.401 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001598680327 994917255 /nfs/dbraw/zinc/91/72/55/994917255.db2.gz BJYSLGGJWUNIKW-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)C(C)(C)C(=O)[O-] ZINC001593566074 995661831 /nfs/dbraw/zinc/66/18/31/995661831.db2.gz VLWBWERCWXSKRQ-SSDOTTSWSA-N -1 0 343.719 2.473 20 5 EEBDRM C[C@@]1(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-] ZINC001594052719 997760030 /nfs/dbraw/zinc/76/00/30/997760030.db2.gz KGYCDNXUPLIGBQ-MEDUHNTESA-N -1 0 338.335 2.426 20 5 EEBDRM COc1c(C)cnc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1C ZINC001599333822 997795917 /nfs/dbraw/zinc/79/59/17/997795917.db2.gz RQFGSEBPIHEDDO-UHFFFAOYSA-N -1 0 332.316 2.321 20 5 EEBDRM CC1(c2nccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)n2)CC1 ZINC001594080734 997978268 /nfs/dbraw/zinc/97/82/68/997978268.db2.gz CPCDLNSSLCMFDI-UHFFFAOYSA-N -1 0 342.311 2.387 20 5 EEBDRM CC1=C(C(=O)[O-])[C@H](c2cc([N+](=O)[O-])c(F)cc2F)N(C)C(=O)N1C ZINC001594095491 998067009 /nfs/dbraw/zinc/06/70/09/998067009.db2.gz RBZWQSRRHCYPSB-LBPRGKRZSA-N -1 0 341.270 2.270 20 5 EEBDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1 ZINC001594098650 998085916 /nfs/dbraw/zinc/08/59/16/998085916.db2.gz XQCNPZVQBAAFKV-SNVBAGLBSA-N -1 0 327.749 2.126 20 5 EEBDRM C[C@@H]1C[C@@]2(CC[C@@H](CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])O2)CO1 ZINC001594286907 999110025 /nfs/dbraw/zinc/11/00/25/999110025.db2.gz VSWXOGQGKWTGPM-XAGWURHQSA-N -1 0 336.344 2.432 20 5 EEBDRM CO[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])[C@H]1CCOC1 ZINC001599055200 999224561 /nfs/dbraw/zinc/22/45/61/999224561.db2.gz IROFXAGUDXVYEP-UFBFGSQYSA-N -1 0 344.751 2.410 20 5 EEBDRM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000055567342 214331010 /nfs/dbraw/zinc/33/10/10/214331010.db2.gz NEJQQSPFSABHRH-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000191772572 529769626 /nfs/dbraw/zinc/76/96/26/529769626.db2.gz GCTCSHIAIJPZCM-UHFFFAOYSA-N -1 0 342.402 2.426 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191435350 239111816 /nfs/dbraw/zinc/11/18/16/239111816.db2.gz LEYFOWYZTJETOU-JTQLQIEISA-N -1 0 346.343 2.002 20 5 EEBDRM CCCCCC[C@](C)(NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)[O-] ZINC000236724101 242335132 /nfs/dbraw/zinc/33/51/32/242335132.db2.gz FOPXTTMNWOBWHN-HNNXBMFYSA-N -1 0 340.380 2.030 20 5 EEBDRM COc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000262972478 245277002 /nfs/dbraw/zinc/27/70/02/245277002.db2.gz KBXFKUBYNDZYTK-NOZJJQNGSA-N -1 0 336.344 2.237 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])[C@@H](C)CC ZINC000271089252 256206619 /nfs/dbraw/zinc/20/66/19/256206619.db2.gz UANMOYQTGWULAF-JTQLQIEISA-N -1 0 344.389 2.031 20 5 EEBDRM Cc1[nH]nc2ncc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12 ZINC000089267746 292207947 /nfs/dbraw/zinc/20/79/47/292207947.db2.gz IOWTUZOUTBJGAU-UHFFFAOYSA-N -1 0 347.356 2.284 20 5 EEBDRM O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000119563227 292246698 /nfs/dbraw/zinc/24/66/98/292246698.db2.gz SGIYTYLPHLNHOX-CQSZACIVSA-N -1 0 345.355 2.460 20 5 EEBDRM O=C([O-])CC1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000262481551 152284189 /nfs/dbraw/zinc/28/41/89/152284189.db2.gz KMUIJCFPAYWUHW-UHFFFAOYSA-N -1 0 335.360 2.301 20 5 EEBDRM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130352727 292372144 /nfs/dbraw/zinc/37/21/44/292372144.db2.gz ROTRWLVWTBEGBU-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000263509081 160468771 /nfs/dbraw/zinc/46/87/71/160468771.db2.gz MUSNPMKVYRTROY-QWRGUYRKSA-N -1 0 338.385 2.399 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cccc(O)c1F ZINC000131506880 292388744 /nfs/dbraw/zinc/38/87/44/292388744.db2.gz BJBYIAIHJNZMIA-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1nc2ccccc2[nH]1 ZINC000102827112 159268684 /nfs/dbraw/zinc/26/86/84/159268684.db2.gz ADIUFDLBWSYIIE-QMMMGPOBSA-N -1 0 327.300 2.063 20 5 EEBDRM CN(c1c(F)cccc1F)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000194025926 160190016 /nfs/dbraw/zinc/19/00/16/160190016.db2.gz FZLAZBNWWBUNEV-UHFFFAOYSA-N -1 0 344.295 2.404 20 5 EEBDRM COc1cc(O)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000342380633 161060993 /nfs/dbraw/zinc/06/09/93/161060993.db2.gz IUBSURXMAFKARE-UHFFFAOYSA-N -1 0 344.370 2.480 20 5 EEBDRM CCC(CC)(NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000342526480 161071652 /nfs/dbraw/zinc/07/16/52/161071652.db2.gz NXLPSCAOEBBUKQ-UHFFFAOYSA-N -1 0 333.344 2.309 20 5 EEBDRM CS(=O)(=O)c1ccsc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000135513207 292448775 /nfs/dbraw/zinc/44/87/75/292448775.db2.gz BJSROBGQLAEGRA-UHFFFAOYSA-N -1 0 332.384 2.374 20 5 EEBDRM Cc1n[nH]cc1-c1nnc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000368735026 166117872 /nfs/dbraw/zinc/11/78/72/166117872.db2.gz YVSMPVFQSGDNBI-UHFFFAOYSA-N -1 0 346.328 2.103 20 5 EEBDRM O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274745127 269048543 /nfs/dbraw/zinc/04/85/43/269048543.db2.gz GIIPYMGYFDYPNV-UHFFFAOYSA-N -1 0 343.343 2.034 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2ncnn2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000282332445 269482999 /nfs/dbraw/zinc/48/29/99/269482999.db2.gz PZMOPNHRSJVTNJ-UHFFFAOYSA-N -1 0 339.377 2.051 20 5 EEBDRM Cn1cnc(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2)n1 ZINC000182911717 274013466 /nfs/dbraw/zinc/01/34/66/274013466.db2.gz XDUNYPWGYAEQJY-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)Nc2nc(Cl)ccc2[O-])c1[N+](=O)[O-] ZINC000279757226 274545858 /nfs/dbraw/zinc/54/58/58/274545858.db2.gz PAYFJMDAFDVWOG-UHFFFAOYSA-N -1 0 325.712 2.448 20 5 EEBDRM COC(=O)C[C@H](C)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289430421 275115445 /nfs/dbraw/zinc/11/54/45/275115445.db2.gz KPVOEVTXZAPGDS-SSDOTTSWSA-N -1 0 330.724 2.482 20 5 EEBDRM COCCCn1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000295676096 293787357 /nfs/dbraw/zinc/78/73/57/293787357.db2.gz ORQKFTQFUNAXFG-UHFFFAOYSA-N -1 0 334.332 2.094 20 5 EEBDRM CCC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC000297123917 294157818 /nfs/dbraw/zinc/15/78/18/294157818.db2.gz FIIDFHGBIOQHGX-LBPRGKRZSA-N -1 0 349.387 2.426 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000421140801 314051068 /nfs/dbraw/zinc/05/10/68/314051068.db2.gz NTFKBKXYTSDFBR-LBPRGKRZSA-N -1 0 346.405 2.406 20 5 EEBDRM COC(=O)c1ccc(CN(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436640440 314983324 /nfs/dbraw/zinc/98/33/24/314983324.db2.gz WPDGFTPZJKZDSJ-UHFFFAOYSA-N -1 0 344.323 2.359 20 5 EEBDRM O=C(Nc1ccc(Cn2ccnc2)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436699651 314989380 /nfs/dbraw/zinc/98/93/80/314989380.db2.gz WAACEWLLPFKOSB-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM COCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000436812908 315001188 /nfs/dbraw/zinc/00/11/88/315001188.db2.gz YJSUQRSLIRQWEK-GFCCVEGCSA-N -1 0 340.401 2.285 20 5 EEBDRM CC(C)(C)OC(=O)NCC1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000496694683 316231375 /nfs/dbraw/zinc/23/13/75/316231375.db2.gz YYIJTVDYRTWLAO-UHFFFAOYSA-N -1 0 339.348 2.385 20 5 EEBDRM C[C@@H](O)[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000514731744 316417562 /nfs/dbraw/zinc/41/75/62/316417562.db2.gz SFDKZFRBFLQFLU-LDYMZIIASA-N -1 0 328.752 2.329 20 5 EEBDRM CNc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000537370426 318016494 /nfs/dbraw/zinc/01/64/94/318016494.db2.gz YFOIRNZJAAFNGR-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM CC[C@@](CNC(=O)c1cc([N+](=O)[O-])cn1C)(C(=O)[O-])c1ccccc1 ZINC000560919154 318817699 /nfs/dbraw/zinc/81/76/99/318817699.db2.gz KZXULPJKPHXZOB-KRWDZBQOSA-N -1 0 345.355 2.096 20 5 EEBDRM O=C([O-])c1ccnc(NCc2ccc(OCC3CC3)nc2)c1[N+](=O)[O-] ZINC000565659757 319202596 /nfs/dbraw/zinc/20/25/96/319202596.db2.gz GVIRTMSCWKPQHB-UHFFFAOYSA-N -1 0 344.327 2.484 20 5 EEBDRM CC[C@@H](C)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000565831523 319219035 /nfs/dbraw/zinc/21/90/35/319219035.db2.gz VIEFEHOKCXGQBA-SCZZXKLOSA-N -1 0 344.389 2.314 20 5 EEBDRM C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000566179255 319256714 /nfs/dbraw/zinc/25/67/14/319256714.db2.gz KLABXSSVUZBQML-SKDRFNHKSA-N -1 0 342.373 2.150 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(F)c3)C2)n1 ZINC000566290670 319269915 /nfs/dbraw/zinc/26/99/15/319269915.db2.gz KVOMUIGGYACKRJ-CQSZACIVSA-N -1 0 347.302 2.405 20 5 EEBDRM O=C([O-])c1cnc(N[C@H]2CCO[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000566291428 319270004 /nfs/dbraw/zinc/27/00/04/319270004.db2.gz RAEMLWPQKWVLNO-GXTWGEPZSA-N -1 0 344.327 2.415 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)n1 ZINC000566293395 319270599 /nfs/dbraw/zinc/27/05/99/319270599.db2.gz PZPQXZCLPSSAJI-VXGBXAGGSA-N -1 0 337.376 2.230 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@H](c3ccccc3)C2)n1 ZINC000566295766 319271112 /nfs/dbraw/zinc/27/11/12/319271112.db2.gz XDEJXKCKNLZCJL-AWEZNQCLSA-N -1 0 329.312 2.266 20 5 EEBDRM COc1ncccc1CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000568986187 319535892 /nfs/dbraw/zinc/53/58/92/319535892.db2.gz JYQHOPPGKARIKN-UHFFFAOYSA-N -1 0 331.328 2.280 20 5 EEBDRM CCc1nn(C)c(NC[C@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC000568986585 319536105 /nfs/dbraw/zinc/53/61/05/319536105.db2.gz DPTWPUHOYWDKRY-LBPRGKRZSA-N -1 0 332.360 2.246 20 5 EEBDRM Cc1cccc(N2CCN(c3ncc(C(=O)[O-])s3)CC2)c1[N+](=O)[O-] ZINC000573850579 319972275 /nfs/dbraw/zinc/97/22/75/319972275.db2.gz USOGNERKJWAYGK-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@](C)(CC(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000579106522 323778865 /nfs/dbraw/zinc/77/88/65/323778865.db2.gz VRGWCRHVHVIARM-CQSZACIVSA-N -1 0 344.389 2.071 20 5 EEBDRM CO[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000580556403 324087508 /nfs/dbraw/zinc/08/75/08/324087508.db2.gz OYPRZHKBHROCCX-GFCCVEGCSA-N -1 0 331.328 2.358 20 5 EEBDRM Cc1ccccc1C[C@H](CO)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581886879 324336116 /nfs/dbraw/zinc/33/61/16/324336116.db2.gz VNTNXMAESVKFMV-GFCCVEGCSA-N -1 0 331.328 2.012 20 5 EEBDRM CC(C)(CO)[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000581893995 324338057 /nfs/dbraw/zinc/33/80/57/324338057.db2.gz GNMRTVWXDAPODZ-ZDUSSCGKSA-N -1 0 342.779 2.481 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)CN1C ZINC000582124357 324385859 /nfs/dbraw/zinc/38/58/59/324385859.db2.gz ZZVOLWUACRHVPN-BDAKNGLRSA-N -1 0 327.768 2.118 20 5 EEBDRM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000354828934 465176518 /nfs/dbraw/zinc/17/65/18/465176518.db2.gz LTHLQHYRCIVVFB-UHFFFAOYSA-N -1 0 339.258 2.115 20 5 EEBDRM CCc1ccc([C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000351659643 465277217 /nfs/dbraw/zinc/27/72/17/465277217.db2.gz UBOZIOTZQQTCRF-CQSZACIVSA-N -1 0 330.340 2.326 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000047211512 462756745 /nfs/dbraw/zinc/75/67/45/462756745.db2.gz QDQZDLUHWQSTQB-UHFFFAOYSA-N -1 0 330.325 2.339 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013171144 462886941 /nfs/dbraw/zinc/88/69/41/462886941.db2.gz RQUBRQNIANTVLT-QWRGUYRKSA-N -1 0 338.385 2.399 20 5 EEBDRM O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000155755437 462939133 /nfs/dbraw/zinc/93/91/33/462939133.db2.gz JGBYTFIIMDSTPH-CHWSQXEVSA-N -1 0 330.344 2.411 20 5 EEBDRM CCc1onc(C)c1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000134763095 463079883 /nfs/dbraw/zinc/07/98/83/463079883.db2.gz FMZBUCKXNQDSFF-UHFFFAOYSA-N -1 0 329.309 2.394 20 5 EEBDRM CNC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000055569204 463332954 /nfs/dbraw/zinc/33/29/54/463332954.db2.gz PNMMIXZMMJDXGX-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)cc1[N+](=O)[O-] ZINC000268517261 463777001 /nfs/dbraw/zinc/77/70/01/463777001.db2.gz YRALXJOIHBMHHR-UHFFFAOYSA-N -1 0 338.345 2.005 20 5 EEBDRM COc1cc(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000261800543 463865155 /nfs/dbraw/zinc/86/51/55/463865155.db2.gz ZZYAJLBYJYUIRL-INIZCTEOSA-N -1 0 336.344 2.176 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000263478451 464112979 /nfs/dbraw/zinc/11/29/79/464112979.db2.gz UBOQRMFUZSVMFN-UTLUCORTSA-N -1 0 326.374 2.301 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000237583392 464343584 /nfs/dbraw/zinc/34/35/84/464343584.db2.gz ZIMWZQULVHPNAV-UHFFFAOYSA-N -1 0 329.312 2.025 20 5 EEBDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1(C(=O)[O-])CCSCC1 ZINC000271895154 464403583 /nfs/dbraw/zinc/40/35/83/464403583.db2.gz RQPZMYVKUNUAKQ-ZZXKWVIFSA-N -1 0 336.369 2.075 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(C(N)=O)c1 ZINC000174994097 464478276 /nfs/dbraw/zinc/47/82/76/464478276.db2.gz TWXVBWFMSGKPLN-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM O=C(NCCOc1ncccc1Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356805338 465549936 /nfs/dbraw/zinc/54/99/36/465549936.db2.gz QQALFTBKWADQHN-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM Cn1cnc([N+](=O)[O-])c1N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000591327240 468447952 /nfs/dbraw/zinc/44/79/52/468447952.db2.gz ZBFRDANTMYTCPM-UHFFFAOYSA-N -1 0 330.344 2.411 20 5 EEBDRM C[C@H]1CCCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000580070618 468461390 /nfs/dbraw/zinc/46/13/90/468461390.db2.gz PNGUCQPHJYYZJM-JTQLQIEISA-N -1 0 342.373 2.246 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1Cc2ccccc2C(=O)O1 ZINC000367008120 466070015 /nfs/dbraw/zinc/07/00/15/466070015.db2.gz WDBNVKIPVUDMJC-AWEZNQCLSA-N -1 0 328.280 2.021 20 5 EEBDRM Cc1oncc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000361779497 466280984 /nfs/dbraw/zinc/28/09/84/466280984.db2.gz CGGDYLTZLBOUNH-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000358035170 466401438 /nfs/dbraw/zinc/40/14/38/466401438.db2.gz BCUQTXQKNXDOOI-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000325598289 466660490 /nfs/dbraw/zinc/66/04/90/466660490.db2.gz GFKJMWQIENNRPC-CQSZACIVSA-N -1 0 332.287 2.160 20 5 EEBDRM O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428219738 467213849 /nfs/dbraw/zinc/21/38/49/467213849.db2.gz MRLZQMHIQYDWBI-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432496906 467245668 /nfs/dbraw/zinc/24/56/68/467245668.db2.gz WNCXHTWNPIRPHC-UHFFFAOYSA-N -1 0 342.311 2.296 20 5 EEBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3cccnc3)sc2c1 ZINC000430080056 467397147 /nfs/dbraw/zinc/39/71/47/467397147.db2.gz TYNXSSRSUWZNSV-UHFFFAOYSA-N -1 0 336.354 2.400 20 5 EEBDRM CC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000391421677 467420519 /nfs/dbraw/zinc/42/05/19/467420519.db2.gz BVHIMAUHBBDZDJ-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM COCCN(Cc1c(C)nn(C)c1C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000453615206 467505221 /nfs/dbraw/zinc/50/52/21/467505221.db2.gz OQHXDCQWHMATGI-UHFFFAOYSA-N -1 0 348.403 2.299 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](CO)Cc2ccccc2C)n1 ZINC000515302313 467984052 /nfs/dbraw/zinc/98/40/52/467984052.db2.gz PODBMAHCPQFOGQ-ZDUSSCGKSA-N -1 0 345.355 2.320 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000516925342 468056739 /nfs/dbraw/zinc/05/67/39/468056739.db2.gz ONRBZIKJZCTLLB-UHFFFAOYSA-N -1 0 342.373 2.166 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000533203079 468180694 /nfs/dbraw/zinc/18/06/94/468180694.db2.gz JUFDMPSAWNVJON-LBPRGKRZSA-N -1 0 335.360 2.028 20 5 EEBDRM CC[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000520340894 468242990 /nfs/dbraw/zinc/24/29/90/468242990.db2.gz RVELGZQWTOCGJQ-NEPJUHHUSA-N -1 0 327.406 2.485 20 5 EEBDRM CC(C)OC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)C ZINC000594410451 468576252 /nfs/dbraw/zinc/57/62/52/468576252.db2.gz DVKVBDOHXGCBLA-GFCCVEGCSA-N -1 0 338.360 2.397 20 5 EEBDRM C[C@](NC(=O)C1CCSCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873142 468673072 /nfs/dbraw/zinc/67/30/72/468673072.db2.gz GYCQJWJIOUCFIZ-OAHLLOKOSA-N -1 0 338.385 2.154 20 5 EEBDRM CSCCCC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879805 468674764 /nfs/dbraw/zinc/67/47/64/468674764.db2.gz WNNQWHBFYJLDQN-AWEZNQCLSA-N -1 0 326.374 2.154 20 5 EEBDRM COc1nc(C)cc(C)c1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592970927 468830912 /nfs/dbraw/zinc/83/09/12/468830912.db2.gz UKASLLOMSPCHEP-UHFFFAOYSA-N -1 0 332.316 2.321 20 5 EEBDRM CCOc1cccc(CCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000592971205 468831413 /nfs/dbraw/zinc/83/14/13/468831413.db2.gz IWWYEEALDKVZHP-UHFFFAOYSA-N -1 0 331.328 2.741 20 5 EEBDRM CC(C)[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000584612281 468907450 /nfs/dbraw/zinc/90/74/50/468907450.db2.gz QHCXOEAURGAZFH-GFCCVEGCSA-N -1 0 328.752 2.451 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)CC1CC1 ZINC000584634902 468909146 /nfs/dbraw/zinc/90/91/46/468909146.db2.gz PWJPVZHDYLOEIV-CYBMUJFWSA-N -1 0 345.355 2.167 20 5 EEBDRM CCOC(=O)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000610872196 469097966 /nfs/dbraw/zinc/09/79/66/469097966.db2.gz ZGHYLNFBBPUOOL-UHFFFAOYSA-N -1 0 340.292 2.014 20 5 EEBDRM CCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000593703722 469102614 /nfs/dbraw/zinc/10/26/14/469102614.db2.gz MQYVVDUYMPCRJC-QWHCGFSZSA-N -1 0 348.355 2.176 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000595973447 469103584 /nfs/dbraw/zinc/10/35/84/469103584.db2.gz NOITWPOKPJCZKJ-PWSUYJOCSA-N -1 0 347.371 2.177 20 5 EEBDRM Cc1cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)c2cccc([N+](=O)[O-])c2n1 ZINC000595977791 469104940 /nfs/dbraw/zinc/10/49/40/469104940.db2.gz IEXIZIBTZJCDRQ-IUPBHXKESA-N -1 0 331.328 2.087 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccnn1C ZINC000616021850 469354634 /nfs/dbraw/zinc/35/46/34/469354634.db2.gz XBWCJUYVOXSBPW-LBPRGKRZSA-N -1 0 332.360 2.204 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2c2ccccn2)ccc1[O-] ZINC000604369977 469474022 /nfs/dbraw/zinc/47/40/22/469474022.db2.gz CXDOFKKLEMLXAU-CYBMUJFWSA-N -1 0 349.368 2.221 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000158388782 534517150 /nfs/dbraw/zinc/51/71/50/534517150.db2.gz YEEYIVVBZHVSTH-NSHDSACASA-N -1 0 341.751 2.126 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000190357792 528776326 /nfs/dbraw/zinc/77/63/26/528776326.db2.gz QEWBMTBOKJTMPT-UHFFFAOYSA-N -1 0 326.334 2.040 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000738167095 578002277 /nfs/dbraw/zinc/00/22/77/578002277.db2.gz VBSIIRDVAUEPQK-UHFFFAOYSA-N -1 0 331.328 2.210 20 5 EEBDRM COC(=O)c1coc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000737714518 576610229 /nfs/dbraw/zinc/61/02/29/576610229.db2.gz SDZQACHYMGWALD-UHFFFAOYSA-N -1 0 349.251 2.030 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1F ZINC000771973957 577242663 /nfs/dbraw/zinc/24/26/63/577242663.db2.gz MBNSDCVNGXXQKL-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000733713167 577255130 /nfs/dbraw/zinc/25/51/30/577255130.db2.gz UTNSFSSSSUUINC-UHFFFAOYSA-N -1 0 339.373 2.324 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[N-]OC1CCOCC1 ZINC000773929133 577373383 /nfs/dbraw/zinc/37/33/83/577373383.db2.gz AEELMAPYKYDKPR-SECBINFHSA-N -1 0 344.751 2.242 20 5 EEBDRM C[C@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000770777500 577603448 /nfs/dbraw/zinc/60/34/48/577603448.db2.gz VXLJHBHCALENEC-CBFJXKFUSA-N -1 0 342.348 2.285 20 5 EEBDRM O=C(NCc1nnc(-c2ccccc2)[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755214055 577821958 /nfs/dbraw/zinc/82/19/58/577821958.db2.gz MUFMGFBVLOQNOG-UHFFFAOYSA-N -1 0 339.311 2.016 20 5 EEBDRM O=C([O-])N1CCC[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000739374598 578050875 /nfs/dbraw/zinc/05/08/75/578050875.db2.gz WDHBHPIOTDGHKO-GFCCVEGCSA-N -1 0 348.359 2.041 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000739384247 578051277 /nfs/dbraw/zinc/05/12/77/578051277.db2.gz LTCXXCHGIQHQRI-UHFFFAOYSA-N -1 0 331.328 2.449 20 5 EEBDRM O=C([O-])c1cc(F)ccc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000740077504 578079842 /nfs/dbraw/zinc/07/98/42/578079842.db2.gz KKJZSTFDNMTCMQ-UHFFFAOYSA-N -1 0 343.270 2.190 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)C(=O)[O-])cc1SC ZINC000737902943 578158964 /nfs/dbraw/zinc/15/89/64/578158964.db2.gz QWJKOWQOUYKDPK-UHFFFAOYSA-N -1 0 342.373 2.261 20 5 EEBDRM CC(C)C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000736428482 578203396 /nfs/dbraw/zinc/20/33/96/578203396.db2.gz XLEQJBSVGIEHAE-AWEZNQCLSA-N -1 0 347.327 2.437 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(N(C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737115172 578238977 /nfs/dbraw/zinc/23/89/77/578238977.db2.gz LVYRIWQPIJUDAS-UHFFFAOYSA-N -1 0 340.343 2.420 20 5 EEBDRM COc1ccc(CC(=O)OCc2cc(C(=O)[O-])c(C)o2)cc1[N+](=O)[O-] ZINC000737983553 578275344 /nfs/dbraw/zinc/27/53/44/578275344.db2.gz BSYHMYIBNQVCGB-UHFFFAOYSA-N -1 0 349.295 2.489 20 5 EEBDRM O=C([O-])[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000821512171 598124149 /nfs/dbraw/zinc/12/41/49/598124149.db2.gz CIYOOEXHJRQKEF-OAHLLOKOSA-N -1 0 332.312 2.140 20 5 EEBDRM O=C([O-])c1cccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000821552162 598210773 /nfs/dbraw/zinc/21/07/73/598210773.db2.gz TYUPSYPOEIXYSO-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)cs1 ZINC000833306742 600712482 /nfs/dbraw/zinc/71/24/82/600712482.db2.gz DKDNZZDNPMMVAW-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM CN(CC(=O)OCc1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000830702075 600726025 /nfs/dbraw/zinc/72/60/25/600726025.db2.gz LJHGJGYRAFBQCY-UHFFFAOYSA-N -1 0 344.323 2.473 20 5 EEBDRM COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000832319011 600905001 /nfs/dbraw/zinc/90/50/01/600905001.db2.gz OXWXKTRUJSPYBC-VXGBXAGGSA-N -1 0 336.344 2.111 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000833111794 601184191 /nfs/dbraw/zinc/18/41/91/601184191.db2.gz GLACQTOXOSWHAU-RYUDHWBXSA-N -1 0 335.312 2.212 20 5 EEBDRM C[C@@H](Cc1ccncc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827597006 601325719 /nfs/dbraw/zinc/32/57/19/601325719.db2.gz JANUGSZDOJYYNR-JTQLQIEISA-N -1 0 329.312 2.049 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000830398586 601404572 /nfs/dbraw/zinc/40/45/72/601404572.db2.gz OKIHOVNQUQETBJ-UHFFFAOYSA-N -1 0 343.295 2.207 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N2C[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000833252363 601411035 /nfs/dbraw/zinc/41/10/35/601411035.db2.gz LOCAWLHCOQUFFI-CHWSQXEVSA-N -1 0 347.371 2.036 20 5 EEBDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000824217501 604225953 /nfs/dbraw/zinc/22/59/53/604225953.db2.gz FZCCHWCZRKPYRO-GFCCVEGCSA-N -1 0 328.296 2.459 20 5 EEBDRM CCN1CCO[C@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829785962 604265505 /nfs/dbraw/zinc/26/55/05/604265505.db2.gz GMXFVJVLRWGLFD-SECBINFHSA-N -1 0 343.767 2.079 20 5 EEBDRM COc1ccc(CC(=O)N(C)C2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000832287032 604720870 /nfs/dbraw/zinc/72/08/70/604720870.db2.gz FYFMBPPGGCEVRD-UHFFFAOYSA-N -1 0 336.344 2.002 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC000827097059 604834013 /nfs/dbraw/zinc/83/40/13/604834013.db2.gz AWANVSBKSRJHKS-NSHDSACASA-N -1 0 346.343 2.387 20 5 EEBDRM O=C([O-])COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1Cl ZINC000833258390 604961608 /nfs/dbraw/zinc/96/16/08/604961608.db2.gz JLBVAMODVIWDOO-UHFFFAOYSA-N -1 0 339.691 2.292 20 5 EEBDRM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820426490 606914889 /nfs/dbraw/zinc/91/48/89/606914889.db2.gz KPYJDOZZBYDJKI-SNVBAGLBSA-N -1 0 340.343 2.331 20 5 EEBDRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006330266 689505532 /nfs/dbraw/zinc/50/55/32/689505532.db2.gz MRTPCLVDANRQQP-NXEZZACHSA-N -1 0 335.272 2.109 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000263392940 689768286 /nfs/dbraw/zinc/76/82/86/689768286.db2.gz DBPGQXVWXAZLBX-RQJHMYQMSA-N -1 0 334.250 2.453 20 5 EEBDRM COc1cc([C@@H]2Nc3cc(C)ccc3C(=O)N2)cc([N+](=O)[O-])c1[O-] ZINC000877863986 1200141964 /nfs/dbraw/zinc/14/19/64/1200141964.db2.gz NFPTWZFRUXFOJA-OAHLLOKOSA-N -1 0 329.312 2.472 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000800020085 1202199792 /nfs/dbraw/zinc/19/97/92/1202199792.db2.gz OZVVIQYHGLFRKT-JTQLQIEISA-N -1 0 348.402 2.064 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000136281707 1202450575 /nfs/dbraw/zinc/45/05/75/1202450575.db2.gz XBXJJISZABTSBA-UHFFFAOYSA-N -1 0 329.268 2.412 20 5 EEBDRM O=C(NCc1nnc(-c2ccccc2)[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779660357 1210718606 /nfs/dbraw/zinc/71/86/06/1210718606.db2.gz COOMOPPWOOMOEC-UHFFFAOYSA-N -1 0 339.311 2.016 20 5 EEBDRM CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(C(N)=O)c1 ZINC000779665658 1210738213 /nfs/dbraw/zinc/73/82/13/1210738213.db2.gz HJRPJMRCFXXKGM-UHFFFAOYSA-N -1 0 345.311 2.050 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)CCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000195072029 1211309242 /nfs/dbraw/zinc/30/92/42/1211309242.db2.gz VQNIANDSSDWYCL-UHFFFAOYSA-N -1 0 348.380 2.206 20 5 EEBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2ncccc2C(F)(F)F)no1 ZINC001212893919 1214379220 /nfs/dbraw/zinc/37/92/20/1214379220.db2.gz FNFBQNFJRKDLON-UHFFFAOYSA-N -1 0 326.194 2.449 20 5 EEBDRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000133145961 1248844354 /nfs/dbraw/zinc/84/43/54/1248844354.db2.gz WQHWEFVZDRCLQK-UHFFFAOYSA-N -1 0 342.417 2.410 20 5 EEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](O)c1ccc(F)cc1 ZINC000119284060 1229482316 /nfs/dbraw/zinc/48/23/16/1229482316.db2.gz UABSSJDAQIWZJY-VFZGTOFNSA-N -1 0 334.303 2.291 20 5 EEBDRM Cc1cc(C)cc([C@@H](O)CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000801527477 1235785212 /nfs/dbraw/zinc/78/52/12/1235785212.db2.gz LNRFDDINNXLUQF-INIZCTEOSA-N -1 0 330.340 2.381 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)o2)ccc1[N+](=O)[O-] ZINC000115925277 1294038814 /nfs/dbraw/zinc/03/88/14/1294038814.db2.gz MRTRXCGBBSFYDZ-UHFFFAOYSA-N -1 0 344.732 2.268 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@](O)(c2ccccc2)C1 ZINC000862802094 1295968471 /nfs/dbraw/zinc/96/84/71/1295968471.db2.gz ZMZSPZCLWAENFI-GOSISDBHSA-N -1 0 342.351 2.424 20 5 EEBDRM O=C1C[C@H](Oc2cccc([O-])c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC001225627239 1301099064 /nfs/dbraw/zinc/09/90/64/1301099064.db2.gz XTEVQNMFVGSCGT-ZDUSSCGKSA-N -1 0 328.324 2.480 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(OC2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC001226021006 1301235844 /nfs/dbraw/zinc/23/58/44/1301235844.db2.gz NNOBPPRCCQWCET-RKDXNWHRSA-N -1 0 339.348 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](C)c2ccc(OC)cc2)c1[N+](=O)[O-] ZINC001226649030 1301493554 /nfs/dbraw/zinc/49/35/54/1301493554.db2.gz IYCQPYXJQRKUCV-MRVPVSSYSA-N -1 0 349.299 2.026 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CCC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001226650137 1301494060 /nfs/dbraw/zinc/49/40/60/1301494060.db2.gz QKIUGLRTZMESMI-HRDYMLBCSA-N -1 0 325.321 2.081 20 5 EEBDRM CCC[C@@H](CC(=O)OC)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228604981 1302333782 /nfs/dbraw/zinc/33/37/82/1302333782.db2.gz ZFMIHEZTRDKFGZ-VIFPVBQESA-N -1 0 325.321 2.078 20 5 EEBDRM O=[N+]([O-])c1c([O-])cc(O)cc1OC[C@@H]1CC[C@@]2(CCCCO2)O1 ZINC001228972523 1302553937 /nfs/dbraw/zinc/55/39/37/1302553937.db2.gz XLQWJUPCQQIIQI-XHDPSFHLSA-N -1 0 325.317 2.461 20 5 EEBDRM CCCSc1nc(O[C@H]2CCn3ccnc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229796579 1302948606 /nfs/dbraw/zinc/94/86/06/1302948606.db2.gz MXTAYXJTIASTGF-QMMMGPOBSA-N -1 0 337.361 2.313 20 5 EEBDRM CCOC(=O)[C@@H]1CCC[C@H]1Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231219599 1303687747 /nfs/dbraw/zinc/68/77/47/1303687747.db2.gz ARVRVSQQSLHLBP-PRHODGIISA-N -1 0 340.288 2.319 20 5 EEBDRM CCC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842404473 1315698454 /nfs/dbraw/zinc/69/84/54/1315698454.db2.gz VCCHRTVAYJGJCZ-DGCLKSJQSA-N -1 0 340.401 2.285 20 5 EEBDRM O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CCOC1 ZINC001608543665 1351712859 /nfs/dbraw/zinc/71/28/59/1351712859.db2.gz OCYPBDBGZQTDSM-WPRPVWTQSA-N -1 0 346.286 2.345 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC001608557195 1351715319 /nfs/dbraw/zinc/71/53/19/1351715319.db2.gz LBLVSIXBNOJULL-QNSHHTMESA-N -1 0 334.111 2.328 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC001607709845 1351543747 /nfs/dbraw/zinc/54/37/47/1351543747.db2.gz QFVQYMSIQWVFIL-BPNCWPANSA-N -1 0 333.344 2.156 20 5 EEBDRM O=C([O-])C1([C@]2(O)CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)CCC1 ZINC001608567855 1351718008 /nfs/dbraw/zinc/71/80/08/1351718008.db2.gz HXEUHYFVGSJPAD-INIZCTEOSA-N -1 0 338.335 2.320 20 5 EEBDRM O=C([O-])c1cc(C(=O)OC[C@@H](F)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001608838500 1351775803 /nfs/dbraw/zinc/77/58/03/1351775803.db2.gz JPCMMKQAVNPULI-MRVPVSSYSA-N -1 0 325.170 2.350 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)CC2CCCC2)cc1[N+](=O)[O-] ZINC001608908353 1351791879 /nfs/dbraw/zinc/79/18/79/1351791879.db2.gz TUTOXCZSPDLJCO-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](n3ccnn3)CC2)c1 ZINC001608914504 1351793064 /nfs/dbraw/zinc/79/30/64/1351793064.db2.gz UKNFJNWLPUTVLF-AWEZNQCLSA-N -1 0 345.359 2.112 20 5 EEBDRM O=C([O-])c1ccnc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC001608952489 1351801799 /nfs/dbraw/zinc/80/17/99/1351801799.db2.gz XSMVEDSWLIXLOJ-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM O=C([O-])c1cnc(NCCn2ccc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC001608978075 1351806373 /nfs/dbraw/zinc/80/63/73/1351806373.db2.gz WDACXDJIQPEJMV-UHFFFAOYSA-N -1 0 345.237 2.015 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1F ZINC001609012552 1351814316 /nfs/dbraw/zinc/81/43/16/1351814316.db2.gz GRNIISMBGWFWQT-ZDUSSCGKSA-N -1 0 335.243 2.422 20 5 EEBDRM CC(C)(C)OC(=O)NCCCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001328014160 1334378950 /nfs/dbraw/zinc/37/89/50/1334378950.db2.gz UBZZHIHAFOHMLB-UHFFFAOYSA-N -1 0 326.353 2.412 20 5 EEBDRM C[C@@H](C(=O)NC(C)(C)c1nocc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001609634606 1352047078 /nfs/dbraw/zinc/04/70/78/1352047078.db2.gz JEYQTTSXYLOWRC-SECBINFHSA-N -1 0 347.327 2.436 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001337291645 1336677732 /nfs/dbraw/zinc/67/77/32/1336677732.db2.gz YDTSBTGDVAVFCY-UHFFFAOYSA-N -1 0 343.339 2.307 20 5 EEBDRM CN(C)c1ccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)nc1 ZINC001610104077 1352162906 /nfs/dbraw/zinc/16/29/06/1352162906.db2.gz PNCHLJXMULWINS-UHFFFAOYSA-N -1 0 346.343 2.131 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@](F)(C(=O)[O-])C1 ZINC001610205382 1352185583 /nfs/dbraw/zinc/18/55/83/1352185583.db2.gz BAQBYCVCHDAMRK-CYBMUJFWSA-N -1 0 346.698 2.038 20 5 EEBDRM COc1ncccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001610371200 1352212743 /nfs/dbraw/zinc/21/27/43/1352212743.db2.gz QVEWPOQHXKPICT-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM Cc1cc(NCCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])n(C)n1 ZINC001610474975 1352228612 /nfs/dbraw/zinc/22/86/12/1352228612.db2.gz HQWDFMYNICACAL-GQCTYLIASA-N -1 0 345.359 2.259 20 5 EEBDRM Cc1ccn2cc(CNc3nc(C(=O)[O-])ccc3[N+](=O)[O-])nc2c1 ZINC001610535471 1352240673 /nfs/dbraw/zinc/24/06/73/1352240673.db2.gz HGIBXQNVICIOTM-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM O=C([O-])[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001610671654 1352259200 /nfs/dbraw/zinc/25/92/00/1352259200.db2.gz QWUQNWGPNOKGED-OAHLLOKOSA-N -1 0 331.280 2.343 20 5 EEBDRM O=C([O-])c1ccoc1COC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001610671668 1352259263 /nfs/dbraw/zinc/25/92/63/1352259263.db2.gz ROOMCIROFQGLIK-UHFFFAOYSA-N -1 0 339.231 2.147 20 5 EEBDRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1O ZINC001610703869 1352262004 /nfs/dbraw/zinc/26/20/04/1352262004.db2.gz JPGIJCUPUIAVTQ-UHFFFAOYSA-N -1 0 325.664 2.232 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@H](C(F)F)C1 ZINC001610817221 1352279627 /nfs/dbraw/zinc/27/96/27/1352279627.db2.gz BELRNNHEOCDSHK-LURJTMIESA-N -1 0 331.231 2.293 20 5 EEBDRM Cc1nc(NCc2cc([N+](=O)[O-])ccc2Cl)cc(-c2nn[nH]n2)n1 ZINC001581526215 1344634468 /nfs/dbraw/zinc/63/44/68/1344634468.db2.gz NGAFFTVPMVIVNE-UHFFFAOYSA-N -1 0 346.738 2.139 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001600022446 1349956691 /nfs/dbraw/zinc/95/66/91/1349956691.db2.gz YUIAWNVMNJJSJJ-UHFFFAOYSA-N -1 0 339.304 2.474 20 5 EEBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001600155619 1349981846 /nfs/dbraw/zinc/98/18/46/1349981846.db2.gz OZVJWDFJGKWFJD-UHFFFAOYSA-N -1 0 330.300 2.139 20 5 EEBDRM Cc1cc(CCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])nn1C ZINC001600189403 1349988658 /nfs/dbraw/zinc/98/86/58/1349988658.db2.gz WVSHSWBFBMSZFQ-XQRVVYSFSA-N -1 0 330.344 2.389 20 5 EEBDRM Cc1cc(N2CCN(CC(C)C)C(=O)[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600241216 1350000269 /nfs/dbraw/zinc/00/02/69/1350000269.db2.gz ZRAGLEDITZQYIG-GFCCVEGCSA-N -1 0 349.387 2.295 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001600307619 1350016555 /nfs/dbraw/zinc/01/65/55/1350016555.db2.gz SEUZKZADBCLXKQ-VIFPVBQESA-N -1 0 334.357 2.447 20 5 EEBDRM Cc1ccc(CNC(=O)NCc2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001600416727 1350046094 /nfs/dbraw/zinc/04/60/94/1350046094.db2.gz QKMWWYDLVCVHGW-UHFFFAOYSA-N -1 0 333.300 2.194 20 5 EEBDRM Cc1cncc([N+](=O)[O-])c1N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001600628012 1350101788 /nfs/dbraw/zinc/10/17/88/1350101788.db2.gz KRCYZVFDFOLFJU-BDAKNGLRSA-N -1 0 333.266 2.388 20 5 EEBDRM Cc1noc(COC(=O)CCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001600814675 1350143011 /nfs/dbraw/zinc/14/30/11/1350143011.db2.gz LMNOZNVSIIIFBU-UHFFFAOYSA-N -1 0 334.284 2.265 20 5 EEBDRM Nc1ccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001601214692 1350233098 /nfs/dbraw/zinc/23/30/98/1350233098.db2.gz JNRWNRICMQTMIL-LBPRGKRZSA-N -1 0 335.360 2.188 20 5 EEBDRM O=C(/C=C\C1CCOCC1)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001601233401 1350237696 /nfs/dbraw/zinc/23/76/96/1350237696.db2.gz RCVKPYIRTKEMEO-RJRFIUFISA-N -1 0 335.312 2.319 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001601329582 1350258668 /nfs/dbraw/zinc/25/86/68/1350258668.db2.gz CTVYYVKUHGOZPF-UHFFFAOYSA-N -1 0 347.302 2.160 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001601342767 1350262082 /nfs/dbraw/zinc/26/20/82/1350262082.db2.gz RJPLNEAJRSYEGA-UHFFFAOYSA-N -1 0 348.286 2.127 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2c[nH]c3cnccc23)cc([N+](=O)[O-])c1 ZINC001601353558 1350264376 /nfs/dbraw/zinc/26/43/76/1350264376.db2.gz TVYXSIOXXPSXLV-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM O=C([O-])C12CC(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)(C1)C2 ZINC001601728530 1350349521 /nfs/dbraw/zinc/34/95/21/1350349521.db2.gz PYBRLILWLXFIGA-UHFFFAOYSA-N -1 0 332.268 2.034 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@@H]1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC001601810633 1350369834 /nfs/dbraw/zinc/36/98/34/1350369834.db2.gz VLWAVEJKTHFSPY-YPMHNXCESA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])CCCCOC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001601988760 1350411940 /nfs/dbraw/zinc/41/19/40/1350411940.db2.gz DZAOEIMIPLKICJ-UHFFFAOYSA-N -1 0 325.302 2.011 20 5 EEBDRM O=C([O-])COc1ccc(CNc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC001602084758 1350433016 /nfs/dbraw/zinc/43/30/16/1350433016.db2.gz CBTVPERPEIBABH-UHFFFAOYSA-N -1 0 346.295 2.399 20 5 EEBDRM O=C([O-])Cc1cccc(OC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC001602141611 1350449107 /nfs/dbraw/zinc/44/91/07/1350449107.db2.gz OBSUOEHMNXSTQF-UHFFFAOYSA-N -1 0 345.263 2.170 20 5 EEBDRM O=C([O-])c1cc(OC[C@H]2CC3(CO2)CCOCC3)ccc1[N+](=O)[O-] ZINC001602288238 1350486357 /nfs/dbraw/zinc/48/63/57/1350486357.db2.gz NEHNFAFCKFYIIS-GFCCVEGCSA-N -1 0 337.328 2.258 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2nccc(Cl)c2Cl)c1 ZINC001602299909 1350488170 /nfs/dbraw/zinc/48/81/70/1350488170.db2.gz VQBAVRWPROQGLW-UHFFFAOYSA-N -1 0 344.110 2.205 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)nc1 ZINC001602343726 1350499809 /nfs/dbraw/zinc/49/98/09/1350499809.db2.gz RKRBNTLWFNCOBP-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)c2cn3c(n2)CCCC3)c1 ZINC001602403380 1350511342 /nfs/dbraw/zinc/51/13/42/1350511342.db2.gz FJYCHVDVUHRPAX-UHFFFAOYSA-N -1 0 345.311 2.183 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@@H](CO)c3ccccc32)c1 ZINC001602404729 1350511788 /nfs/dbraw/zinc/51/17/88/1350511788.db2.gz CWAHQASLAVYBSU-ZDUSSCGKSA-N -1 0 328.324 2.389 20 5 EEBDRM O=C([O-])c1ccc2[nH]c(CNC(=O)c3ccc([N+](=O)[O-])s3)nc2c1 ZINC001602406652 1350512597 /nfs/dbraw/zinc/51/25/97/1350512597.db2.gz OUGDXMVZSWXLPB-UHFFFAOYSA-N -1 0 346.324 2.161 20 5 EEBDRM O=C([O-])c1ccnc(N2CC[C@H](Cc3nccs3)C2)c1[N+](=O)[O-] ZINC001602480084 1350528894 /nfs/dbraw/zinc/52/88/94/1350528894.db2.gz HWRXKWMTJKTROR-SECBINFHSA-N -1 0 334.357 2.214 20 5 EEBDRM O=C([O-])c1cnc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC001602528172 1350539600 /nfs/dbraw/zinc/53/96/00/1350539600.db2.gz JYYAVNVQONIOHO-UWVGGRQHSA-N -1 0 333.325 2.492 20 5 EEBDRM O=C([O-])C1(COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC001602614024 1350557513 /nfs/dbraw/zinc/55/75/13/1350557513.db2.gz UKTJIDNIQQMCEE-UHFFFAOYSA-N -1 0 345.311 2.192 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001602625287 1350560562 /nfs/dbraw/zinc/56/05/62/1350560562.db2.gz YOBDDLBNYCEDTP-UHFFFAOYSA-N -1 0 329.312 2.298 20 5 EEBDRM O=C([O-])c1c(Cl)c(N[C@H]2CCNC(=O)CC2)ccc1[N+](=O)[O-] ZINC001602638854 1350563724 /nfs/dbraw/zinc/56/37/24/1350563724.db2.gz LMUSEKAJWAUJBV-SSDOTTSWSA-N -1 0 327.724 2.027 20 5 EEBDRM CCC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)C1 ZINC001604152106 1350875234 /nfs/dbraw/zinc/87/52/34/1350875234.db2.gz HZRAYZSAEIYJNT-JTQLQIEISA-N -1 0 331.380 2.374 20 5 EEBDRM C[C@@H](O)c1ncc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001604389615 1350927920 /nfs/dbraw/zinc/92/79/20/1350927920.db2.gz XPKLCTSZLSNODO-ZCFIWIBFSA-N -1 0 337.313 2.055 20 5 EEBDRM C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604620120 1350971516 /nfs/dbraw/zinc/97/15/16/1350971516.db2.gz JXJFWOJQTRMOQK-WVQJBOLRSA-N -1 0 348.355 2.016 20 5 EEBDRM COC(=O)c1cc(OCc2cncc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001606565242 1351323008 /nfs/dbraw/zinc/32/30/08/1351323008.db2.gz PIMWCKYPIYLLNW-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COC[C@@](C)(O)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001606791495 1351357038 /nfs/dbraw/zinc/35/70/38/1351357038.db2.gz BGEUYBPPAXJIBF-ZDUSSCGKSA-N -1 0 332.740 2.146 20 5 EEBDRM COc1cc(C(=O)Nc2cccc(C(=O)[O-])c2N)cc([N+](=O)[O-])c1C ZINC001607086736 1351412648 /nfs/dbraw/zinc/41/26/48/1351412648.db2.gz AHXKEBUMXZKWEW-UHFFFAOYSA-N -1 0 345.311 2.445 20 5 EEBDRM COc1ccc(OC(=O)c2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001607277732 1351463756 /nfs/dbraw/zinc/46/37/56/1351463756.db2.gz QMXZVSCHLDIAES-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM Cn1cc(C(=O)OCCCCC(=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001608100582 1351625044 /nfs/dbraw/zinc/62/50/44/1351625044.db2.gz AOCSACKJOHUQRH-UHFFFAOYSA-N -1 0 347.327 2.407 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001608274629 1351661403 /nfs/dbraw/zinc/66/14/03/1351661403.db2.gz OMVIEDLPFQZDNF-ZDUSSCGKSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])c1cccc(COC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC001608351220 1351676810 /nfs/dbraw/zinc/67/68/10/1351676810.db2.gz IFNKYQOICNVVRX-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)nc1C1CC1 ZINC001608464969 1351700364 /nfs/dbraw/zinc/70/03/64/1351700364.db2.gz IXNFVXUQIKYONY-UHFFFAOYSA-N -1 0 341.323 2.495 20 5 EEBDRM C[C@@H](OC[C@@H]1CCCCO1)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837477171 1372787237 /nfs/dbraw/zinc/78/72/37/1372787237.db2.gz ZFNFLANJHSZECQ-RISCZKNCSA-N -1 0 339.344 2.318 20 5 EEBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000785080206 759936979 /nfs/dbraw/zinc/93/69/79/759936979.db2.gz YNABAAHPAPVWTN-SNVBAGLBSA-N -1 0 328.390 2.117 20 5 EEBDRM Cc1ccn2cnnc2c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000820799939 786479391 /nfs/dbraw/zinc/47/93/91/786479391.db2.gz OQKXXXMNNRGZIP-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@]2(O)CCc3ccccc32)n1 ZINC000844211928 788930078 /nfs/dbraw/zinc/93/00/78/788930078.db2.gz LGSWCMGLDCKEGO-QGZVFWFLSA-N -1 0 343.339 2.242 20 5 EEBDRM Cc1nc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])ccc1[C@H](C)O ZINC000844213586 788932542 /nfs/dbraw/zinc/93/25/42/788932542.db2.gz KCGMGPVEPDCCSW-VIFPVBQESA-N -1 0 332.316 2.057 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000844214859 788933582 /nfs/dbraw/zinc/93/35/82/788933582.db2.gz WUJRCLWEJHNQMV-AWEZNQCLSA-N -1 0 334.372 2.475 20 5 EEBDRM CCCCCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844884352 789430267 /nfs/dbraw/zinc/43/02/67/789430267.db2.gz WWSVIVABMMKFAH-UHFFFAOYSA-N -1 0 330.362 2.152 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000171325913 791335336 /nfs/dbraw/zinc/33/53/36/791335336.db2.gz GWYNMEGGACIQEC-UHFFFAOYSA-N -1 0 326.374 2.370 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c(O)c1 ZINC000785490868 806502049 /nfs/dbraw/zinc/50/20/49/806502049.db2.gz GFTUXFAVUKENAD-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000916106312 797501458 /nfs/dbraw/zinc/50/14/58/797501458.db2.gz VAJMSRSBCIIMSC-UHFFFAOYSA-N -1 0 339.285 2.009 20 5 EEBDRM CCOC(=O)c1nccnc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503509 797784059 /nfs/dbraw/zinc/78/40/59/797784059.db2.gz CXVLTOZGCWBHDW-UHFFFAOYSA-N -1 0 332.272 2.003 20 5 EEBDRM O=C(NC[C@@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1[O-] ZINC000130510886 798173268 /nfs/dbraw/zinc/17/32/68/798173268.db2.gz RLSHQQYJFSVPCS-CYBMUJFWSA-N -1 0 336.731 2.417 20 5 EEBDRM CC[C@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000797144747 800399812 /nfs/dbraw/zinc/39/98/12/800399812.db2.gz MMDIDARDPIHBNZ-JTQLQIEISA-N -1 0 344.389 2.235 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000345985191 939128297 /nfs/dbraw/zinc/12/82/97/939128297.db2.gz SZIDENKHNNXDDT-CQSZACIVSA-N -1 0 330.296 2.159 20 5 EEBDRM O=C([O-])c1ccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)nc1 ZINC001595216176 949230318 /nfs/dbraw/zinc/23/03/18/949230318.db2.gz TUNWWHLBPIQHET-UHFFFAOYSA-N -1 0 327.296 2.281 20 5 EEBDRM CC[C@@]1(C(=O)[O-])CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC001589607722 949303800 /nfs/dbraw/zinc/30/38/00/949303800.db2.gz KHPFSFVAFCWPKV-OAHLLOKOSA-N -1 0 326.324 2.307 20 5 EEBDRM O=C([O-])[C@H]1CCCN1CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001595276528 949918254 /nfs/dbraw/zinc/91/82/54/949918254.db2.gz IWMYHQTUNZOPAO-GFCCVEGCSA-N -1 0 348.311 2.047 20 5 EEBDRM CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC001589711528 950335445 /nfs/dbraw/zinc/33/54/45/950335445.db2.gz XZKJXBKNXOYTOF-SSDOTTSWSA-N -1 0 332.259 2.131 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863533870 955922230 /nfs/dbraw/zinc/92/22/30/955922230.db2.gz ZOXONNTXYPIQTP-AWEZNQCLSA-N -1 0 341.751 2.126 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC001594702237 956811419 /nfs/dbraw/zinc/81/14/19/956811419.db2.gz KXZAIWDOHFLISJ-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000013448387 957086844 /nfs/dbraw/zinc/08/68/44/957086844.db2.gz PWYZMHBQWOURQH-UHFFFAOYSA-N -1 0 342.307 2.261 20 5 EEBDRM Cc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001594361074 958449934 /nfs/dbraw/zinc/44/99/34/958449934.db2.gz GGUGBJYSXDHMHP-ZWNOBZJWSA-N -1 0 335.360 2.155 20 5 EEBDRM COc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001594121977 958603603 /nfs/dbraw/zinc/60/36/03/958603603.db2.gz NDDURLOBBYDLTL-ZDUSSCGKSA-N -1 0 344.323 2.029 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001574506595 961782728 /nfs/dbraw/zinc/78/27/28/961782728.db2.gz KTZJXBQRWSTZDA-HNNXBMFYSA-N -1 0 341.323 2.001 20 5 EEBDRM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001574570809 962055171 /nfs/dbraw/zinc/05/51/71/962055171.db2.gz JUNNCKAZFJPFDH-JOCQHMNTSA-N -1 0 335.360 2.080 20 5 EEBDRM COC(=O)/C=C\c1ccc(N[C@H]2CCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001574054776 962166731 /nfs/dbraw/zinc/16/67/31/962166731.db2.gz LOMCSKFVZHHQRK-YYYFKNSJSA-N -1 0 334.328 2.446 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)[O-] ZINC001588886222 962174340 /nfs/dbraw/zinc/17/43/40/962174340.db2.gz BDSMVMVACPBDFT-CQSZACIVSA-N -1 0 346.343 2.214 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001604738843 973945806 /nfs/dbraw/zinc/94/58/06/973945806.db2.gz CFSWIUKIYNARSB-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM CC(C)n1ncc(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1N ZINC001592159038 977040573 /nfs/dbraw/zinc/04/05/73/977040573.db2.gz YISNIMIBCGFHEF-UHFFFAOYSA-N -1 0 348.315 2.010 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001592289450 977605293 /nfs/dbraw/zinc/60/52/93/977605293.db2.gz FPJWVMDMGNSCSU-QGZVFWFLSA-N -1 0 343.339 2.039 20 5 EEBDRM CCOc1ncnc2c1CN(c1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC000833664958 979217791 /nfs/dbraw/zinc/21/77/91/979217791.db2.gz IOPJGZSHHXALQT-UHFFFAOYSA-N -1 0 344.327 2.044 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC001595045662 979255027 /nfs/dbraw/zinc/25/50/27/979255027.db2.gz UNIGMSNRDXTBFF-UHFFFAOYSA-N -1 0 348.153 2.014 20 5 EEBDRM O=C([O-])[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000901487639 980310674 /nfs/dbraw/zinc/31/06/74/980310674.db2.gz BKZSUBMRJVKLJY-SNVBAGLBSA-N -1 0 335.143 2.187 20 5 EEBDRM CCC[C@](C)(NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001595546613 981412581 /nfs/dbraw/zinc/41/25/81/981412581.db2.gz CVVIUDSZRWYTSG-INIZCTEOSA-N -1 0 338.360 2.432 20 5 EEBDRM CCCc1[nH]nc(C(=O)O[C@H](C(=O)[O-])c2ccsc2)c1[N+](=O)[O-] ZINC001596030513 983299129 /nfs/dbraw/zinc/29/91/29/983299129.db2.gz WTUHTUYBSBLMCT-NSHDSACASA-N -1 0 339.329 2.315 20 5 EEBDRM CCOC1(C)CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001596797916 985302630 /nfs/dbraw/zinc/30/26/30/985302630.db2.gz PIZSFQPGXQVZEM-UHFFFAOYSA-N -1 0 336.344 2.324 20 5 EEBDRM CC(=O)NCC[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001589133498 985431124 /nfs/dbraw/zinc/43/11/24/985431124.db2.gz UBYVCKHGHGPPED-GFCCVEGCSA-N -1 0 335.360 2.036 20 5 EEBDRM C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC001594563056 986341524 /nfs/dbraw/zinc/34/15/24/986341524.db2.gz XTLIJVPUFNWBDC-WRWORJQWSA-N -1 0 334.250 2.449 20 5 EEBDRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001589368896 986405514 /nfs/dbraw/zinc/40/55/14/986405514.db2.gz MGXFBGMYESDRHP-NZVBXONLSA-N -1 0 332.356 2.268 20 5 EEBDRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC001594583410 986448265 /nfs/dbraw/zinc/44/82/65/986448265.db2.gz HHTGQJUGCIPAKL-XCBNKYQSSA-N -1 0 349.265 2.234 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001597272472 987321756 /nfs/dbraw/zinc/32/17/56/987321756.db2.gz DXCRRZMOPYGTJG-UHFFFAOYSA-N -1 0 348.340 2.447 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cn1 ZINC001589670030 987662272 /nfs/dbraw/zinc/66/22/72/987662272.db2.gz LEESVVREZFONEE-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM CSc1cccc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)c1[N+](=O)[O-] ZINC001599822768 988542677 /nfs/dbraw/zinc/54/26/77/988542677.db2.gz WPYHODCTIDWJEF-GFCCVEGCSA-N -1 0 347.352 2.267 20 5 EEBDRM CC(C)(CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001590675647 990385471 /nfs/dbraw/zinc/38/54/71/990385471.db2.gz LFRCBWXBFKSFTI-UHFFFAOYSA-N -1 0 330.287 2.033 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001598334138 991376713 /nfs/dbraw/zinc/37/67/13/991376713.db2.gz ZCEDUWOGLQQUKH-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM CC(C)CN(CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001591304919 992258251 /nfs/dbraw/zinc/25/82/51/992258251.db2.gz RVGPLSGHTUWIMU-UHFFFAOYSA-N -1 0 343.767 2.229 20 5 EEBDRM CN(Cc1ccc(C(=O)[O-])cc1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC001598513634 992593704 /nfs/dbraw/zinc/59/37/04/992593704.db2.gz QHIFSKXZDIEWCY-UHFFFAOYSA-N -1 0 331.328 2.004 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171038 994028740 /nfs/dbraw/zinc/02/87/40/994028740.db2.gz RADPWWBJFUMHCW-WDEREUQCSA-N -1 0 349.387 2.423 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599621876 994095078 /nfs/dbraw/zinc/09/50/78/994095078.db2.gz FKPRYMRFSXRKAI-CJNGLKHVSA-N -1 0 334.328 2.073 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001599622045 994097031 /nfs/dbraw/zinc/09/70/31/994097031.db2.gz MPIYUGRZQCRYGG-MBNYWOFBSA-N -1 0 348.355 2.319 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CN[C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001599622221 994100404 /nfs/dbraw/zinc/10/04/04/994100404.db2.gz CXYUQWUTTNDGQE-KRWDZBQOSA-N -1 0 345.355 2.478 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1COC(=O)c1cncc(C(=O)[O-])c1 ZINC001599622397 994102361 /nfs/dbraw/zinc/10/23/61/994102361.db2.gz KFRWZAICYJZRHN-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](CC(=O)[O-])C3CC3)c2c1 ZINC001599637683 994312771 /nfs/dbraw/zinc/31/27/71/994312771.db2.gz JKDVJKORCDLLFP-LLVKDONJSA-N -1 0 345.355 2.486 20 5 EEBDRM COc1cccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001599642382 994376909 /nfs/dbraw/zinc/37/69/09/994376909.db2.gz INDKUALGZWNVRN-PWSUYJOCSA-N -1 0 336.344 2.367 20 5 EEBDRM CNc1c(C(=O)NCc2cc(C(=O)[O-])c(C)o2)cccc1[N+](=O)[O-] ZINC001598677717 994873968 /nfs/dbraw/zinc/87/39/68/994873968.db2.gz ZSHORCZLAZUTNK-UHFFFAOYSA-N -1 0 333.300 2.166 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001598680459 994918926 /nfs/dbraw/zinc/91/89/26/994918926.db2.gz JPNBBTAUHQAAKI-CJNGLKHVSA-N -1 0 333.344 2.106 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCF)C(=O)[O-] ZINC001593666900 996053637 /nfs/dbraw/zinc/05/36/37/996053637.db2.gz DIYNGXNMUAAWSW-LDYMZIIASA-N -1 0 330.337 2.004 20 5 EEBDRM COC(=O)CC1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001598845896 996565567 /nfs/dbraw/zinc/56/55/67/996565567.db2.gz XAWOLWXAFFJTCK-UHFFFAOYSA-N -1 0 336.344 2.381 20 5 EEBDRM COC(=O)Cc1ccc(Nc2cc(C(=O)[O-])n(C)c2)c([N+](=O)[O-])c1 ZINC001598871239 996738148 /nfs/dbraw/zinc/73/81/48/996738148.db2.gz CQXBUAMVGUDVBP-UHFFFAOYSA-N -1 0 333.300 2.091 20 5 EEBDRM CON(CC1CCOCC1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001599319174 997550621 /nfs/dbraw/zinc/55/06/21/997550621.db2.gz SCMDHJZFDBCWIW-HWKANZROSA-N -1 0 336.344 2.487 20 5 EEBDRM COc1c(C(=O)N2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cccc1[N+](=O)[O-] ZINC001599328654 997708823 /nfs/dbraw/zinc/70/88/23/997708823.db2.gz NIIUQFMFEJHQJC-NXEZZACHSA-N -1 0 336.344 2.317 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1COC(=O)c1cncc(C(=O)[O-])c1 ZINC001599461695 998283015 /nfs/dbraw/zinc/28/30/15/998283015.db2.gz AEULOJGMLYEMQL-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@]1(O)CCc2ccccc2C1 ZINC000375073204 303998855 /nfs/dbraw/zinc/99/88/55/303998855.db2.gz DBOZEBWPJKMRPT-QGZVFWFLSA-N -1 0 328.324 2.159 20 5 EEBDRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262861550 304093079 /nfs/dbraw/zinc/09/30/79/304093079.db2.gz FKKWBPMCUSNDEU-SNVBAGLBSA-N -1 0 334.250 2.049 20 5 EEBDRM CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1(C(=O)[O-])CCCCC1 ZINC000191281883 239013491 /nfs/dbraw/zinc/01/34/91/239013491.db2.gz OFOJCBMXBQWKGM-UHFFFAOYSA-N -1 0 346.343 2.331 20 5 EEBDRM Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000271042916 256202189 /nfs/dbraw/zinc/20/21/89/256202189.db2.gz JWQFNSZBKFRJPD-UHFFFAOYSA-N -1 0 329.309 2.448 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)CC1(C(=O)[O-])CCCC1 ZINC000273370388 256290500 /nfs/dbraw/zinc/29/05/00/256290500.db2.gz VLXSFJRDUNRWGV-UHFFFAOYSA-N -1 0 336.344 2.255 20 5 EEBDRM COc1ccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263027156 152358832 /nfs/dbraw/zinc/35/88/32/152358832.db2.gz KBHIKQGZMYRMGQ-MGPLVRAMSA-N -1 0 349.343 2.322 20 5 EEBDRM COc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000327148554 160544752 /nfs/dbraw/zinc/54/47/52/160544752.db2.gz AIQNDANWHOKFPM-GFCCVEGCSA-N -1 0 342.307 2.432 20 5 EEBDRM O=C([O-])c1ccc(F)c(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000238101730 160228103 /nfs/dbraw/zinc/22/81/03/160228103.db2.gz XWWMENJEXILRFW-UHFFFAOYSA-N -1 0 333.275 2.483 20 5 EEBDRM O=C(Nc1ccc(Cn2ccnc2)cn1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000343348028 161127155 /nfs/dbraw/zinc/12/71/55/161127155.db2.gz KEZWAZQXBOLGFC-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM COCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000344815055 161248285 /nfs/dbraw/zinc/24/82/85/161248285.db2.gz PIHGHCOCXTWDRZ-GFCCVEGCSA-N -1 0 340.401 2.285 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000345908459 161341332 /nfs/dbraw/zinc/34/13/32/161341332.db2.gz QQDUJYDZQJUHAM-UHFFFAOYSA-N -1 0 332.316 2.204 20 5 EEBDRM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000346637505 161387709 /nfs/dbraw/zinc/38/77/09/161387709.db2.gz QZNYKGDQSHGBHU-NRFANRHFSA-N -1 0 340.382 2.133 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000364201404 165049780 /nfs/dbraw/zinc/04/97/80/165049780.db2.gz WRBLNQFEHSHKKH-UHFFFAOYSA-N -1 0 347.371 2.496 20 5 EEBDRM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000164682098 226093825 /nfs/dbraw/zinc/09/38/25/226093825.db2.gz ACRPQPJPVHOKKN-ZDUSSCGKSA-N -1 0 332.312 2.416 20 5 EEBDRM CC(C)(C)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000275012820 269084608 /nfs/dbraw/zinc/08/46/08/269084608.db2.gz QFNXJQYUIBBUQS-JTQLQIEISA-N -1 0 344.389 2.010 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCSC2(CCOCC2)C1 ZINC000274549351 274206923 /nfs/dbraw/zinc/20/69/23/274206923.db2.gz HMSZPAFVPKXESO-UHFFFAOYSA-N -1 0 338.385 2.039 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000292643797 275458975 /nfs/dbraw/zinc/45/89/75/275458975.db2.gz ZTXGCTWMBJTTFR-CABCVRRESA-N -1 0 332.356 2.474 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263138925 279603295 /nfs/dbraw/zinc/60/32/95/279603295.db2.gz GMQQEEFVFUGUAO-DGCLKSJQSA-N -1 0 349.387 2.280 20 5 EEBDRM COC(=O)c1ccc([O-])c(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c1 ZINC000436502095 314968545 /nfs/dbraw/zinc/96/85/45/314968545.db2.gz BGRLVNXYCCIWCW-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436511957 314969986 /nfs/dbraw/zinc/96/99/86/314969986.db2.gz IUJXATZHVXRTRV-LBPRGKRZSA-N -1 0 336.344 2.247 20 5 EEBDRM O=C(N[C@H]1CCN(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436748079 314995246 /nfs/dbraw/zinc/99/52/46/314995246.db2.gz DLBAZCLODFNGQC-NSHDSACASA-N -1 0 345.330 2.448 20 5 EEBDRM COCCOc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436949528 315014801 /nfs/dbraw/zinc/01/48/01/315014801.db2.gz KUJOEOYRXCIXMO-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM O=C(NCCn1cnc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436955820 315015711 /nfs/dbraw/zinc/01/57/11/315015711.db2.gz ITOKJQZJEFOQQC-UHFFFAOYSA-N -1 0 326.312 2.080 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)C=Cc2ccccc2[N+](=O)[O-])s[n-]1 ZINC000493091746 315875396 /nfs/dbraw/zinc/87/53/96/315875396.db2.gz WWMHFXMBQITEFT-UFGYOYAJSA-N -1 0 334.357 2.228 20 5 EEBDRM O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1cc2ccccc2o1 ZINC000525699938 317069085 /nfs/dbraw/zinc/06/90/85/317069085.db2.gz PDTHBOOXVRPRRM-UHFFFAOYSA-N -1 0 333.325 2.215 20 5 EEBDRM COc1cc(/C=C\c2ccncn2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000536574299 318001729 /nfs/dbraw/zinc/00/17/29/318001729.db2.gz AGDLMIVHINQHOY-IHWYPQMZSA-N -1 0 331.284 2.027 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000538583451 318037799 /nfs/dbraw/zinc/03/77/99/318037799.db2.gz IYXGTZKYNYEEBM-UHFFFAOYSA-N -1 0 344.323 2.410 20 5 EEBDRM CCOC(=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000542654892 318135448 /nfs/dbraw/zinc/13/54/48/318135448.db2.gz IYDVVBACYKPHEE-UHFFFAOYSA-N -1 0 331.284 2.124 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000567902646 319433109 /nfs/dbraw/zinc/43/31/09/319433109.db2.gz UUPOILYSEXTQFL-SFHVURJKSA-N -1 0 342.351 2.433 20 5 EEBDRM CCc1ccc(S(=O)(=O)NC(CC)(CC)C(=O)[O-])cc1[N+](=O)[O-] ZINC000571795577 319788448 /nfs/dbraw/zinc/78/84/48/319788448.db2.gz GBKBMGFGTTWGQL-UHFFFAOYSA-N -1 0 344.389 2.079 20 5 EEBDRM CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572770547 319875824 /nfs/dbraw/zinc/87/58/24/319875824.db2.gz WZWXSCXITUWCDE-UWVGGRQHSA-N -1 0 342.373 2.102 20 5 EEBDRM Cc1sc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc1C(=O)[O-] ZINC000574281133 320012170 /nfs/dbraw/zinc/01/21/70/320012170.db2.gz PWQYSHXILOLWKG-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM O=C([O-])c1ccc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000574879649 320065835 /nfs/dbraw/zinc/06/58/35/320065835.db2.gz GSUCFOXRUZIPJV-GFCCVEGCSA-N -1 0 328.328 2.467 20 5 EEBDRM CN(C[C@@H]1CCCOC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000575805976 320116279 /nfs/dbraw/zinc/11/62/79/320116279.db2.gz IDVHKCUTHDBKAV-VIFPVBQESA-N -1 0 328.752 2.452 20 5 EEBDRM Cn1cnc([N+](=O)[O-])c1N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000580332492 324043321 /nfs/dbraw/zinc/04/33/21/324043321.db2.gz XOFKYGGJALSUGW-UHFFFAOYSA-N -1 0 341.327 2.071 20 5 EEBDRM C[C@@H](C(=O)[O-])N(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC1 ZINC000581678408 324303026 /nfs/dbraw/zinc/30/30/26/324303026.db2.gz MQJGLLVHRHSAIB-JTQLQIEISA-N -1 0 346.343 2.472 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000582003292 324359507 /nfs/dbraw/zinc/35/95/07/324359507.db2.gz DWHWRFUUCBOQSB-MFKMUULPSA-N -1 0 347.371 2.352 20 5 EEBDRM CC(C)(C)Oc1cc(N2CCC(O)(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000582125092 324386682 /nfs/dbraw/zinc/38/66/82/324386682.db2.gz GMLCLIUINOHCBB-UHFFFAOYSA-N -1 0 338.360 2.188 20 5 EEBDRM O=C([O-])c1ccnc(N[C@H]2CCO[C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000583937456 324763379 /nfs/dbraw/zinc/76/33/79/324763379.db2.gz NKNINVHKLWKFGG-AAEUAGOBSA-N -1 0 344.327 2.415 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc3c(c2)OCCO3)n1 ZINC000516184740 448392446 /nfs/dbraw/zinc/39/24/46/448392446.db2.gz AONFNVBEKNHPMH-UHFFFAOYSA-N -1 0 345.311 2.380 20 5 EEBDRM Cc1c(CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000326449219 465039401 /nfs/dbraw/zinc/03/94/01/465039401.db2.gz NULGRPVUPHODII-CYBMUJFWSA-N -1 0 337.376 2.449 20 5 EEBDRM COc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000326628623 465040891 /nfs/dbraw/zinc/04/08/91/465040891.db2.gz RHIYRBJKPLKFET-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM Cn1nc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc21 ZINC000358575801 465200711 /nfs/dbraw/zinc/20/07/11/465200711.db2.gz DKPJDHKHGHOYAW-UHFFFAOYSA-N -1 0 340.339 2.160 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000337146950 465215629 /nfs/dbraw/zinc/21/56/29/465215629.db2.gz FYZBZVSVRMIAPH-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000128091619 462608360 /nfs/dbraw/zinc/60/83/60/462608360.db2.gz FCTGROGEQUUHTB-AWEZNQCLSA-N -1 0 328.324 2.231 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000013210811 462886787 /nfs/dbraw/zinc/88/67/87/462886787.db2.gz ISJFLOGPEMMSRO-UHFFFAOYSA-N -1 0 329.312 2.021 20 5 EEBDRM Cc1sc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1[N+](=O)[O-] ZINC000119403744 462897876 /nfs/dbraw/zinc/89/78/76/462897876.db2.gz NXFQLJWNWUOLIW-UHFFFAOYSA-N -1 0 346.361 2.397 20 5 EEBDRM O=C(Cn1ccc(C(F)(F)F)n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092549573 462962249 /nfs/dbraw/zinc/96/22/49/462962249.db2.gz LJLSHGDZLXMMJY-UHFFFAOYSA-N -1 0 330.222 2.154 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1sc(C)nc1C ZINC000080971989 463377079 /nfs/dbraw/zinc/37/70/79/463377079.db2.gz KQQLIWPHMBSWDH-UHFFFAOYSA-N -1 0 343.386 2.478 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000083956007 463568390 /nfs/dbraw/zinc/56/83/90/463568390.db2.gz FRCUSUGEIRFCBN-UHFFFAOYSA-N -1 0 346.365 2.339 20 5 EEBDRM CCC(CC)S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255635344 463740484 /nfs/dbraw/zinc/74/04/84/463740484.db2.gz NHVZUUXODNIOCB-KTKRTIGZSA-N -1 0 326.374 2.243 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000262147196 463957376 /nfs/dbraw/zinc/95/73/76/463957376.db2.gz LBXHZBPETBYPNV-BMIGLBTASA-N -1 0 338.385 2.399 20 5 EEBDRM CC[C@](C)(NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262415783 464021706 /nfs/dbraw/zinc/02/17/06/464021706.db2.gz JXVYJUPOQQFTLC-OTYXRUKQSA-N -1 0 326.374 2.445 20 5 EEBDRM Cn1nc([C@H]2CCCO2)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000279046476 464028571 /nfs/dbraw/zinc/02/85/71/464028571.db2.gz DCMAWDKQQAMYPB-CYBMUJFWSA-N -1 0 332.316 2.138 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000263254193 464071824 /nfs/dbraw/zinc/07/18/24/464071824.db2.gz TXUFROOHRXRZQE-YUMQZZPRSA-N -1 0 344.165 2.299 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000263509080 464119027 /nfs/dbraw/zinc/11/90/27/464119027.db2.gz MUSNPMKVYRTROY-MNOVXSKESA-N -1 0 338.385 2.399 20 5 EEBDRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000263534247 464125464 /nfs/dbraw/zinc/12/54/64/464125464.db2.gz NUTNSPZKATVQGO-RISCZKNCSA-N -1 0 336.344 2.032 20 5 EEBDRM COCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000179643594 464167098 /nfs/dbraw/zinc/16/70/98/464167098.db2.gz FHYWGMNAFMHWKS-UHFFFAOYSA-N -1 0 328.268 2.002 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000236937453 464241008 /nfs/dbraw/zinc/24/10/08/464241008.db2.gz VIPKJUGOWCCOEQ-NSHDSACASA-N -1 0 346.343 2.106 20 5 EEBDRM COCCOC1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000281380865 464434600 /nfs/dbraw/zinc/43/46/00/464434600.db2.gz YJITYKXWPXWVCS-UHFFFAOYSA-N -1 0 338.360 2.461 20 5 EEBDRM COCc1cnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000285038622 464435600 /nfs/dbraw/zinc/43/56/00/464435600.db2.gz IWVFYPBKNHKWTF-UHFFFAOYSA-N -1 0 343.386 2.307 20 5 EEBDRM CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000272158902 464501073 /nfs/dbraw/zinc/50/10/73/464501073.db2.gz DFSADTXHQWQINL-GFCCVEGCSA-N -1 0 336.344 2.247 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](OCc2ccncc2)C1 ZINC000182020800 464552935 /nfs/dbraw/zinc/55/29/35/464552935.db2.gz DDRNOYVDDGXBJS-CQSZACIVSA-N -1 0 343.339 2.127 20 5 EEBDRM O=C(NCCOc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182110192 464572186 /nfs/dbraw/zinc/57/21/86/464572186.db2.gz FFSMSRPFSDJMAK-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM CCOC(=O)CC1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272490638 464630064 /nfs/dbraw/zinc/63/00/64/464630064.db2.gz CDCLGPKBEVLITI-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCOC(C)C ZINC000282055033 464682996 /nfs/dbraw/zinc/68/29/96/464682996.db2.gz RTAKZRVUYMQTQQ-UHFFFAOYSA-N -1 0 332.378 2.160 20 5 EEBDRM O=c1[n-]nc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)o1 ZINC000295484338 464854434 /nfs/dbraw/zinc/85/44/34/464854434.db2.gz YWUIGHDXOWDUBN-SNVBAGLBSA-N -1 0 338.751 2.304 20 5 EEBDRM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356560195 465458092 /nfs/dbraw/zinc/45/80/92/465458092.db2.gz ZUXDYEUCBFMNDK-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000593921665 468435512 /nfs/dbraw/zinc/43/55/12/468435512.db2.gz GJBRQTCZBBIPIC-SKDRFNHKSA-N -1 0 326.374 2.397 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000354223195 466394888 /nfs/dbraw/zinc/39/48/88/466394888.db2.gz YEJKKBSQJXKYFL-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM Cc1occc1CN(C)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000314917281 466556598 /nfs/dbraw/zinc/55/65/98/466556598.db2.gz HFOVBPYRZJCTGJ-UHFFFAOYSA-N -1 0 326.330 2.023 20 5 EEBDRM Cc1cccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])c1Cl ZINC000347349069 466583652 /nfs/dbraw/zinc/58/36/52/466583652.db2.gz LGJCLBIORXWFMF-UHFFFAOYSA-N -1 0 327.749 2.174 20 5 EEBDRM O=C([O-])c1cccc(CCNC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000347404373 466615038 /nfs/dbraw/zinc/61/50/38/466615038.db2.gz VTMRNCLNYDSIKZ-UHFFFAOYSA-N -1 0 343.339 2.064 20 5 EEBDRM C[C@H](CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000322187533 466630332 /nfs/dbraw/zinc/63/03/32/466630332.db2.gz BYXUVCGHNWVWBA-LLVKDONJSA-N -1 0 336.369 2.382 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(C)=O)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000354536476 466633968 /nfs/dbraw/zinc/63/39/68/466633968.db2.gz IYDSSGWXDNNHMT-JMCQJSRRSA-N -1 0 343.767 2.443 20 5 EEBDRM COc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000323508056 466638960 /nfs/dbraw/zinc/63/89/60/466638960.db2.gz AIRUQSAJIFJMMO-UHFFFAOYSA-N -1 0 325.321 2.226 20 5 EEBDRM O=C(NCc1nc2cc(F)ccc2[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428023454 467194553 /nfs/dbraw/zinc/19/45/53/467194553.db2.gz QHRIVFBEANELHB-UHFFFAOYSA-N -1 0 330.275 2.246 20 5 EEBDRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1C ZINC000438227997 467564159 /nfs/dbraw/zinc/56/41/59/467564159.db2.gz CZSLVVYTOYDCKT-UHFFFAOYSA-N -1 0 328.325 2.129 20 5 EEBDRM C[C@H](CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000492520719 467661830 /nfs/dbraw/zinc/66/18/30/467661830.db2.gz NWALGLSZNXCXSC-WXGCRTCVSA-N -1 0 336.319 2.459 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2COc3ccccc32)n1 ZINC000566293512 468149118 /nfs/dbraw/zinc/14/91/18/468149118.db2.gz VRMLQFJGLHUCGQ-SNVBAGLBSA-N -1 0 329.312 2.585 20 5 EEBDRM O=C([O-])c1cnc(NC[C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000567978036 468248516 /nfs/dbraw/zinc/24/85/16/468248516.db2.gz URABOIFRQJXUEE-LBPRGKRZSA-N -1 0 331.328 2.266 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc3ccccn3n2)cc1C ZINC000556803037 468577174 /nfs/dbraw/zinc/57/71/74/468577174.db2.gz GQKGKHDXRRYTMS-UHFFFAOYSA-N -1 0 346.368 2.660 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570118078 468591428 /nfs/dbraw/zinc/59/14/28/468591428.db2.gz DXBRXRNCIHFRDG-CQSZACIVSA-N -1 0 335.360 2.175 20 5 EEBDRM C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000592136529 468634339 /nfs/dbraw/zinc/63/43/39/468634339.db2.gz KIPHOFHSTXSEMO-VHSXEESVSA-N -1 0 342.373 2.102 20 5 EEBDRM CCOC(=O)c1cc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000600800572 468661261 /nfs/dbraw/zinc/66/12/61/468661261.db2.gz MPEUGMBPXYBFFK-PWSUYJOCSA-N -1 0 336.344 2.319 20 5 EEBDRM CSCC1(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000594736842 468669050 /nfs/dbraw/zinc/66/90/50/468669050.db2.gz QJBDAKSWCGBQRE-UHFFFAOYSA-N -1 0 325.390 2.942 20 5 EEBDRM CCCSCC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877789 468673436 /nfs/dbraw/zinc/67/34/36/468673436.db2.gz UQMSJYPSHBKBAQ-AWEZNQCLSA-N -1 0 326.374 2.154 20 5 EEBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](C)C(=O)OC(C)(C)C ZINC000597868002 468699135 /nfs/dbraw/zinc/69/91/35/468699135.db2.gz FGZKBMRDQYYZBN-SNVBAGLBSA-N -1 0 338.360 2.493 20 5 EEBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CC[C@@H]1c1ccccc1 ZINC000594872280 468713580 /nfs/dbraw/zinc/71/35/80/468713580.db2.gz YFCMOKWKZDXPJN-CHWSQXEVSA-N -1 0 333.369 2.214 20 5 EEBDRM C[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1CO ZINC000592782157 468784092 /nfs/dbraw/zinc/78/40/92/468784092.db2.gz BLVVVWBFDKAANU-PRHODGIISA-N -1 0 328.752 2.187 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@]34COC[C@@]3(C2)CCCC4)n1 ZINC000595280558 468799298 /nfs/dbraw/zinc/79/92/98/468799298.db2.gz NIQYKGFUJSUAPA-CALCHBBNSA-N -1 0 347.371 2.393 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(c3cccs3)CC2)n1 ZINC000592976133 468832039 /nfs/dbraw/zinc/83/20/39/468832039.db2.gz LAIPAMPDITXTPJ-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM O=C([O-])c1cc(N[C@H]2CCOC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000592977425 468832840 /nfs/dbraw/zinc/83/28/40/468832840.db2.gz BSJMOGWAHPTXMB-LBPRGKRZSA-N -1 0 336.344 2.433 20 5 EEBDRM Cc1cc(C[C@@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]n1 ZINC000584353437 468853777 /nfs/dbraw/zinc/85/37/77/468853777.db2.gz YTYBSANMFQQUJO-SSDOTTSWSA-N -1 0 338.751 2.346 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2cn3c(n2)SCC3)c1 ZINC000572004625 468871445 /nfs/dbraw/zinc/87/14/45/468871445.db2.gz IUSXNXNNKQLROT-UHFFFAOYSA-N -1 0 334.357 2.250 20 5 EEBDRM COc1cc(C(=O)N(CC(=O)[O-])C2CCCC2)cc([N+](=O)[O-])c1C ZINC000598657836 468948848 /nfs/dbraw/zinc/94/88/48/468948848.db2.gz IIOYFIXFSGDKFH-UHFFFAOYSA-N -1 0 336.344 2.381 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000598661658 468949406 /nfs/dbraw/zinc/94/94/06/468949406.db2.gz MOKUKAKPELPNNT-SWLSCSKDSA-N -1 0 349.387 2.429 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000598662272 468950529 /nfs/dbraw/zinc/95/05/29/468950529.db2.gz VHXNFNXWGSAQMQ-FZMZJTMJSA-N -1 0 335.360 2.419 20 5 EEBDRM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C(=O)[O-] ZINC000595965691 469099840 /nfs/dbraw/zinc/09/98/40/469099840.db2.gz HNVFVNUXTMIPGD-CYBMUJFWSA-N -1 0 341.339 2.092 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2C[C@H](C(=O)[O-])CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000595972366 469102944 /nfs/dbraw/zinc/10/29/44/469102944.db2.gz AZXJZDOAGSKMJE-WCQYABFASA-N -1 0 349.387 2.423 20 5 EEBDRM CC(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C1CC1 ZINC000596091524 469151700 /nfs/dbraw/zinc/15/17/00/469151700.db2.gz MCYWFUCHTHLPPU-CYBMUJFWSA-N -1 0 342.373 2.006 20 5 EEBDRM CN(CC1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000563076010 469162376 /nfs/dbraw/zinc/16/23/76/469162376.db2.gz XYWWAWARFVYLEA-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM CCc1cc(N2CCC(Nc3cc[nH]c(=O)c3[N+](=O)[O-])CC2)ncn1 ZINC000596149772 469175263 /nfs/dbraw/zinc/17/52/63/469175263.db2.gz QPYCUSRZFUDJME-UHFFFAOYSA-N -1 0 344.375 2.129 20 5 EEBDRM C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C(=O)[O-])C1 ZINC000563287730 469220723 /nfs/dbraw/zinc/22/07/23/469220723.db2.gz CTTZABVZIFDWQM-MFKMUULPSA-N -1 0 346.343 2.330 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC000619466993 469615885 /nfs/dbraw/zinc/61/58/85/469615885.db2.gz HZEXLHCGFASCMX-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000619541906 469634916 /nfs/dbraw/zinc/63/49/16/469634916.db2.gz ZVSWLFJOEPZTTA-CYBMUJFWSA-N -1 0 335.360 2.175 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SC[C@H](C)C(=O)[O-] ZINC000738069149 577998218 /nfs/dbraw/zinc/99/82/18/577998218.db2.gz YHVAZJYTLPFTLC-IUCAKERBSA-N -1 0 342.373 2.384 20 5 EEBDRM COc1cccc(C(=O)[O-])c1OC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000738084922 577998788 /nfs/dbraw/zinc/99/87/88/577998788.db2.gz JIOAKYPCXKKPJM-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM COc1cccc(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000738094984 577999194 /nfs/dbraw/zinc/99/91/94/577999194.db2.gz RFVMPAFPIPDZPL-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM Cc1noc2ncc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc12 ZINC000738391263 578012532 /nfs/dbraw/zinc/01/25/32/578012532.db2.gz YWJZFVYPIGIAIK-UHFFFAOYSA-N -1 0 342.267 2.390 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)CCSC[C@H](C)C(=O)[O-] ZINC000738069280 576384790 /nfs/dbraw/zinc/38/47/90/576384790.db2.gz ZPGLBNHEMUXNIL-VIFPVBQESA-N -1 0 342.373 2.386 20 5 EEBDRM CCn1nccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000727243487 576415097 /nfs/dbraw/zinc/41/50/97/576415097.db2.gz MFIWBVQESODKJL-UHFFFAOYSA-N -1 0 330.753 2.265 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000732905834 577196773 /nfs/dbraw/zinc/19/67/73/577196773.db2.gz NDJGURDCXAZSDL-SECBINFHSA-N -1 0 332.353 2.230 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccccc1 ZINC000774082229 577382009 /nfs/dbraw/zinc/38/20/09/577382009.db2.gz CSLMDSVZDPJRHP-SECBINFHSA-N -1 0 340.382 2.265 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000763080878 577714509 /nfs/dbraw/zinc/71/45/09/577714509.db2.gz SELLDOHIYAKVOJ-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[n-]1 ZINC000752976926 577779429 /nfs/dbraw/zinc/77/94/29/577779429.db2.gz PPUSCQWCOFWAIA-UHFFFAOYSA-N -1 0 338.707 2.400 20 5 EEBDRM O=C(NC[C@H]1COc2ccccc2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000754888396 577815750 /nfs/dbraw/zinc/81/57/50/577815750.db2.gz HLODKBQTWJBDNW-NSHDSACASA-N -1 0 328.324 2.282 20 5 EEBDRM Cc1cccc(N(CC(=O)[O-])C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000738720533 578024816 /nfs/dbraw/zinc/02/48/16/578024816.db2.gz QZLPWVCSROWJPX-JXMROGBWSA-N -1 0 341.323 2.429 20 5 EEBDRM O=C([O-])[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000739615778 578061032 /nfs/dbraw/zinc/06/10/32/578061032.db2.gz NLFPYKWKGDYDPF-MRXNPFEDSA-N -1 0 344.323 2.326 20 5 EEBDRM O=C([O-])C=Cc1ccc(N[C@@H]2CCc3n[nH]cc3C2)c([N+](=O)[O-])c1 ZINC000739624882 578061426 /nfs/dbraw/zinc/06/14/26/578061426.db2.gz MMWYRTLSSRZJHM-DBGMKRSLSA-N -1 0 328.328 2.385 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCC3(CC2)OCCO3)cc1Cl ZINC000740090089 578080420 /nfs/dbraw/zinc/08/04/20/578080420.db2.gz RUEIIEFAANSAJB-UHFFFAOYSA-N -1 0 342.735 2.290 20 5 EEBDRM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1cccc(O)c1 ZINC000736140152 578182886 /nfs/dbraw/zinc/18/28/86/578182886.db2.gz YZBXYMJVWPAMBH-MRVPVSSYSA-N -1 0 327.304 2.049 20 5 EEBDRM C[C@@H](Sc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736711475 578219450 /nfs/dbraw/zinc/21/94/50/578219450.db2.gz CABASCQFKVIBTK-RXMQYKEDSA-N -1 0 341.313 2.156 20 5 EEBDRM C[C@@]1(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000736739138 578221087 /nfs/dbraw/zinc/22/10/87/578221087.db2.gz WVPNUWMVTKUITI-ZDUSSCGKSA-N -1 0 325.277 2.040 20 5 EEBDRM CC[C@@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000736942771 578230110 /nfs/dbraw/zinc/23/01/10/578230110.db2.gz DBBMSMKUBMAWCF-PSASIEDQSA-N -1 0 339.304 2.205 20 5 EEBDRM CCc1cc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n2ncnc2n1 ZINC000737251240 578246067 /nfs/dbraw/zinc/24/60/67/578246067.db2.gz BFXRUFSLBXKFBA-UHFFFAOYSA-N -1 0 329.272 2.085 20 5 EEBDRM COC(=O)/C=C\c1ccc(N[C@@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000737597020 578266198 /nfs/dbraw/zinc/26/61/98/578266198.db2.gz INLHYQSXZALKFA-SMYYYNMVSA-N -1 0 349.343 2.335 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000833090129 601057732 /nfs/dbraw/zinc/05/77/32/601057732.db2.gz CKISAKWOVIUDPK-CYBMUJFWSA-N -1 0 334.259 2.299 20 5 EEBDRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000826533073 601158614 /nfs/dbraw/zinc/15/86/14/601158614.db2.gz GQJFCKHLUJZIFC-UHFFFAOYSA-N -1 0 345.149 2.340 20 5 EEBDRM CCCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000829347745 601405056 /nfs/dbraw/zinc/40/50/56/601405056.db2.gz LVXKHLUYHRSOES-GFCCVEGCSA-N -1 0 344.389 2.215 20 5 EEBDRM C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000828354823 601665218 /nfs/dbraw/zinc/66/52/18/601665218.db2.gz QFSXKJUGLKGEPS-DOMZBBRYSA-N -1 0 349.387 2.280 20 5 EEBDRM C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000828377581 601772326 /nfs/dbraw/zinc/77/23/26/601772326.db2.gz KNHMLTMPUQAIJC-CBAPKCEASA-N -1 0 327.724 2.433 20 5 EEBDRM CO[C@H]1C[C@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000831532630 601830283 /nfs/dbraw/zinc/83/02/83/601830283.db2.gz WHDUXODMCLBJKQ-QWRGUYRKSA-N -1 0 339.304 2.427 20 5 EEBDRM CCCC(=O)N[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000829177517 602316063 /nfs/dbraw/zinc/31/60/63/602316063.db2.gz XADSAHXYFABFQI-LBPRGKRZSA-N -1 0 349.387 2.487 20 5 EEBDRM O=C([O-])CCc1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000833237766 604345061 /nfs/dbraw/zinc/34/50/61/604345061.db2.gz LKDXBPMSPSNEBD-UHFFFAOYSA-N -1 0 335.341 2.250 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NC[C@H](O)c2cccnc2)c([N+](=O)[O-])c1 ZINC000833197553 604465454 /nfs/dbraw/zinc/46/54/54/604465454.db2.gz REMMTABMLWLDTA-VOKGJARPSA-N -1 0 329.312 2.233 20 5 EEBDRM O=C([O-])C=Cc1ccc(N[C@@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])c1 ZINC000833196818 604810487 /nfs/dbraw/zinc/81/04/87/604810487.db2.gz FCJMMDIHRQZSKA-SZHMKSFOSA-N -1 0 328.328 2.385 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000833553965 605461136 /nfs/dbraw/zinc/46/11/36/605461136.db2.gz JREBWDUZQBXZSQ-AWEZNQCLSA-N -1 0 344.270 2.133 20 5 EEBDRM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1[N+](=O)[O-] ZINC000822176688 606194921 /nfs/dbraw/zinc/19/49/21/606194921.db2.gz OOECUSYIDMWAJU-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM Cc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1[N+](=O)[O-] ZINC000826296132 607997986 /nfs/dbraw/zinc/99/79/86/607997986.db2.gz KHADEFBAIMVHOS-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM CC[C@@H](C)n1nc([N-]c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1C ZINC000825082769 608587273 /nfs/dbraw/zinc/58/72/73/608587273.db2.gz VQIFBMQFCLWCKU-MRVPVSSYSA-N -1 0 343.351 2.389 20 5 EEBDRM Cc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000261650240 676284478 /nfs/dbraw/zinc/28/44/78/676284478.db2.gz JNJYZTBECHBIHP-CYBMUJFWSA-N -1 0 346.261 2.382 20 5 EEBDRM O=C(CC1CCCC1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000123760949 684806445 /nfs/dbraw/zinc/80/64/45/684806445.db2.gz RERNHSWNENPMGS-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000119969503 1229639581 /nfs/dbraw/zinc/63/95/81/1229639581.db2.gz CVGRLCHAALPMNO-UHFFFAOYSA-N -1 0 346.773 2.428 20 5 EEBDRM O=C([O-])c1cccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000901417386 1235753407 /nfs/dbraw/zinc/75/34/07/1235753407.db2.gz OIQWSTBOTOAYQE-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM O=C([N-]OCC1CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000850718793 1277313305 /nfs/dbraw/zinc/31/33/05/1277313305.db2.gz BBUNTZHSEYBSIJ-UHFFFAOYSA-N -1 0 327.724 2.035 20 5 EEBDRM COC(=O)c1ncc2n1CCC[C@H]2Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225624961 1301097735 /nfs/dbraw/zinc/09/77/35/1301097735.db2.gz FXUNIDKTBFTSCK-LLVKDONJSA-N -1 0 333.300 2.197 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2C[C@@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC001226651495 1301494827 /nfs/dbraw/zinc/49/48/27/1301494827.db2.gz HKXNOPQDVUDPHS-RKDXNWHRSA-N -1 0 339.348 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)CCCC(C)C)c1[N+](=O)[O-] ZINC001226650426 1301495031 /nfs/dbraw/zinc/49/50/31/1301495031.db2.gz XZTVGRFJRCAWBE-VIFPVBQESA-N -1 0 327.337 2.471 20 5 EEBDRM O=c1[nH]cncc1OC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001227052315 1301667445 /nfs/dbraw/zinc/66/74/45/1301667445.db2.gz XXNAIIFBHMFVFD-UHFFFAOYSA-N -1 0 334.307 2.277 20 5 EEBDRM CC[C@@H]1OC(=O)C(Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)=C1C ZINC001228242907 1302170828 /nfs/dbraw/zinc/17/08/28/1302170828.db2.gz SCEOWOYKEPZQCK-NSHDSACASA-N -1 0 331.284 2.232 20 5 EEBDRM O=c1[n-]c(C2CC2)nc(O[C@@H]2CCCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001228609803 1302335382 /nfs/dbraw/zinc/33/53/82/1302335382.db2.gz IZVZGENYEQYHTF-SNVBAGLBSA-N -1 0 337.332 2.032 20 5 EEBDRM COC(C[C@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-])OC ZINC001228858100 1302487085 /nfs/dbraw/zinc/48/70/85/1302487085.db2.gz CGUVSBQZSCUVDD-LURJTMIESA-N -1 0 340.254 2.491 20 5 EEBDRM C[C@H]1[C@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001228973521 1302553278 /nfs/dbraw/zinc/55/32/78/1302553278.db2.gz KFWQTQDNRQGSBP-QPUJVOFHSA-N -1 0 340.332 2.393 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](O)c1ccc(F)cc1 ZINC000780685467 1303685835 /nfs/dbraw/zinc/68/58/35/1303685835.db2.gz UOFAEYHKBYPGBB-BJOHPYRUSA-N -1 0 334.303 2.291 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CC12CCCC2 ZINC000781838951 1303876915 /nfs/dbraw/zinc/87/69/15/1303876915.db2.gz WMYVAXQVCIMPCX-SECBINFHSA-N -1 0 342.348 2.119 20 5 EEBDRM CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000781838040 1303877285 /nfs/dbraw/zinc/87/72/85/1303877285.db2.gz MSULQNQUXQEZGN-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000796996776 1304616997 /nfs/dbraw/zinc/61/69/97/1304616997.db2.gz VKKYJEXWQFSEIU-UHFFFAOYSA-N -1 0 340.401 2.119 20 5 EEBDRM COC(OC)[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000798268267 1304966999 /nfs/dbraw/zinc/96/69/99/1304966999.db2.gz HYAKCTSMKHDWDY-OAHLLOKOSA-N -1 0 346.339 2.390 20 5 EEBDRM C[C@@H](O)CC(=O)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234740777 1305016847 /nfs/dbraw/zinc/01/68/47/1305016847.db2.gz AXNZBUIEUDHHOZ-MRVPVSSYSA-N -1 0 330.292 2.034 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CC1CC(F)(F)C1 ZINC000835077237 1314898410 /nfs/dbraw/zinc/89/84/10/1314898410.db2.gz LOIYFVCBDOPROH-UHFFFAOYSA-N -1 0 348.327 2.144 20 5 EEBDRM CC(=O)N[C@@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000837366594 1315073900 /nfs/dbraw/zinc/07/39/00/1315073900.db2.gz XYIXDYHARGFZMF-OAHLLOKOSA-N -1 0 336.344 2.039 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C(F)(F)C1(O)CCCC1 ZINC000837673094 1315102174 /nfs/dbraw/zinc/10/21/74/1315102174.db2.gz LBICYJSRFMRNQN-UHFFFAOYSA-N -1 0 331.271 2.284 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC000841495629 1315565200 /nfs/dbraw/zinc/56/52/00/1315565200.db2.gz NXICFVIWSZFPJW-AWEZNQCLSA-N -1 0 342.735 2.336 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H]2CC23CCC3)cccc1[N+](=O)[O-] ZINC000842404169 1315698065 /nfs/dbraw/zinc/69/80/65/1315698065.db2.gz OLQMHYDTNUIVTR-LBPRGKRZSA-N -1 0 338.385 2.039 20 5 EEBDRM CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CC[C@H](CF)C1 ZINC001263056497 1322427959 /nfs/dbraw/zinc/42/79/59/1322427959.db2.gz DKIZXHHFEOHYHL-SNVBAGLBSA-N -1 0 335.339 2.375 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001601006843 1350187964 /nfs/dbraw/zinc/18/79/64/1350187964.db2.gz NEILBRYHXHBIQP-KRTXAFLBSA-N -1 0 348.281 2.181 20 5 EEBDRM O=C([O-])[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[C@H]1CCOC1 ZINC001608543164 1351712867 /nfs/dbraw/zinc/71/28/67/1351712867.db2.gz KSMZMJOSUVMZMV-AAEUAGOBSA-N -1 0 331.328 2.292 20 5 EEBDRM C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C(C)(C)C ZINC001604192163 1350890195 /nfs/dbraw/zinc/89/01/95/1350890195.db2.gz WCJFSHIOJVGAEV-VIFPVBQESA-N -1 0 344.389 2.254 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001605059647 1351069074 /nfs/dbraw/zinc/06/90/74/1351069074.db2.gz FRAQKOLVVFVKKY-GUYCJALGSA-N -1 0 334.372 2.487 20 5 EEBDRM CCCC[C@@H](OC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(=O)[O-] ZINC001605248813 1351115395 /nfs/dbraw/zinc/11/53/95/1351115395.db2.gz BRWWWKMDGUTWCS-SNVBAGLBSA-N -1 0 339.329 2.400 20 5 EEBDRM O=C([O-])C1CCC(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001608619540 1351727228 /nfs/dbraw/zinc/72/72/28/1351727228.db2.gz OBNWTPYQILMKOP-UHFFFAOYSA-N -1 0 347.320 2.086 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NC[C@H](O)c2cncs2)c([N+](=O)[O-])c1 ZINC001608661464 1351736887 /nfs/dbraw/zinc/73/68/87/1351736887.db2.gz XARWPUTVAPHDDQ-KMOQFTEPSA-N -1 0 335.341 2.295 20 5 EEBDRM O=C([O-])c1cccc2c1OCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001608942199 1351799376 /nfs/dbraw/zinc/79/93/76/1351799376.db2.gz BUIXMPUNXPRYLU-UHFFFAOYSA-N -1 0 342.307 2.328 20 5 EEBDRM O=C([O-])c1cnc(NCc2ccccc2-n2ccnc2)c([N+](=O)[O-])c1 ZINC001608978313 1351806894 /nfs/dbraw/zinc/80/68/94/1351806894.db2.gz OWFJQCRPANXZFG-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM Cc1coc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001321850668 1333167929 /nfs/dbraw/zinc/16/79/29/1333167929.db2.gz QSSYNWUZQHKCIV-UHFFFAOYSA-N -1 0 338.341 2.064 20 5 EEBDRM O=C([O-])c1ccc(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC001609573202 1352021750 /nfs/dbraw/zinc/02/17/50/1352021750.db2.gz XUYWPAXVWGVLNE-UHFFFAOYSA-N -1 0 340.299 2.085 20 5 EEBDRM C[C@@H](CC(F)(F)F)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001609737374 1352072816 /nfs/dbraw/zinc/07/28/16/1352072816.db2.gz VWKMXGOEUKRDMV-ZETCQYMHSA-N -1 0 349.265 2.162 20 5 EEBDRM C[C@H](N(C)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C1(C)CC1 ZINC001609759433 1352078296 /nfs/dbraw/zinc/07/82/96/1352078296.db2.gz CVZHTHQFGDDHSL-JTQLQIEISA-N -1 0 335.360 2.034 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001609833152 1352096366 /nfs/dbraw/zinc/09/63/66/1352096366.db2.gz IXKNIHPYRDMRAV-APPZFPTMSA-N -1 0 344.726 2.251 20 5 EEBDRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC001609859448 1352104374 /nfs/dbraw/zinc/10/43/74/1352104374.db2.gz DPJNQEQAHMMQJV-AQNFWKISSA-N -1 0 332.356 2.410 20 5 EEBDRM Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCCC2(CC2)C1 ZINC001340016839 1337112187 /nfs/dbraw/zinc/11/21/87/1337112187.db2.gz JRHSVDMPXZWOQH-UHFFFAOYSA-N -1 0 329.360 2.476 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001609907061 1352116761 /nfs/dbraw/zinc/11/67/61/1352116761.db2.gz YRRMHXCPVISULW-JTQLQIEISA-N -1 0 346.343 2.310 20 5 EEBDRM CCCC(=O)NC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001609951752 1352128085 /nfs/dbraw/zinc/12/80/85/1352128085.db2.gz GJUBWLHUYMUQKM-UHFFFAOYSA-N -1 0 349.387 2.174 20 5 EEBDRM COC(=O)c1c(Cl)c(N(C)C[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610195185 1352182883 /nfs/dbraw/zinc/18/28/83/1352182883.db2.gz DOVXNQDMOMFMSN-ZETCQYMHSA-N -1 0 330.724 2.192 20 5 EEBDRM CO[C@@H]1CCN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC001610238959 1352192548 /nfs/dbraw/zinc/19/25/48/1352192548.db2.gz KCEPBQMKCPJRHN-RQFGCTGCSA-N -1 0 348.355 2.089 20 5 EEBDRM CO[C@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC001610240081 1352192724 /nfs/dbraw/zinc/19/27/24/1352192724.db2.gz POBYTKCNAVTQAS-UFBFGSQYSA-N -1 0 339.304 2.062 20 5 EEBDRM C[C@@H]1SCCN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)[C@H]1C ZINC001355420257 1338715399 /nfs/dbraw/zinc/71/53/99/1338715399.db2.gz OHPPIYYRKZDBOW-UWVGGRQHSA-N -1 0 349.416 2.426 20 5 EEBDRM Cc1c(NC(=O)c2cnc3n2CCCC3)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610425967 1352220615 /nfs/dbraw/zinc/22/06/15/1352220615.db2.gz PYNBTKCROXLFKE-UHFFFAOYSA-N -1 0 344.327 2.387 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@]3(CCCO3)[C@H]2C2CC2)n1 ZINC001610438658 1352222371 /nfs/dbraw/zinc/22/23/71/1352222371.db2.gz PPXDTHQSAIEMIZ-CZUORRHYSA-N -1 0 333.344 2.144 20 5 EEBDRM Cc1cc(C)n2nc(Sc3cc(C(=O)[O-])ccc3[N+](=O)[O-])nc2n1 ZINC001610458271 1352225990 /nfs/dbraw/zinc/22/59/90/1352225990.db2.gz PVYDIVAFXRGADL-UHFFFAOYSA-N -1 0 345.340 2.499 20 5 EEBDRM Cc1cc(NCCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])n(C)n1 ZINC001610474976 1352228537 /nfs/dbraw/zinc/22/85/37/1352228537.db2.gz HQWDFMYNICACAL-XQRVVYSFSA-N -1 0 345.359 2.259 20 5 EEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(C(=O)[O-])n1C)CC2 ZINC001610479430 1352229436 /nfs/dbraw/zinc/22/94/36/1352229436.db2.gz WEUPHUWGBAMOME-UHFFFAOYSA-N -1 0 329.312 2.143 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001610649362 1352257345 /nfs/dbraw/zinc/25/73/45/1352257345.db2.gz XCOUUUXGQXQSPI-UHFFFAOYSA-N -1 0 333.275 2.196 20 5 EEBDRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001610766066 1352270910 /nfs/dbraw/zinc/27/09/10/1352270910.db2.gz XQHFIIDDDXGAGJ-LLVKDONJSA-N -1 0 338.364 2.252 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@@H](O)CCc2ccccc2)cc([N+](=O)[O-])c1 ZINC001610814946 1352279240 /nfs/dbraw/zinc/27/92/40/1352279240.db2.gz LLRWYDNLBMVJFN-HNNXBMFYSA-N -1 0 344.323 2.225 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)c2ccsc2)cc1[N+](=O)[O-] ZINC001610837476 1352282989 /nfs/dbraw/zinc/28/29/89/1352282989.db2.gz DABRAGBVCZQOJD-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC001589532354 1349001118 /nfs/dbraw/zinc/00/11/18/1349001118.db2.gz PLGBFCAFMQMNIC-VIFPVBQESA-N -1 0 330.300 2.244 20 5 EEBDRM Cc1c(NC(=O)N[C@H]2CCOC[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041645 1349960454 /nfs/dbraw/zinc/96/04/54/1349960454.db2.gz RNWLXBIYKITKAU-KCJUWKMLSA-N -1 0 337.332 2.148 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044728 1349961054 /nfs/dbraw/zinc/96/10/54/1349961054.db2.gz WFJIBUQHEGMKRT-XWIASGKRSA-N -1 0 335.316 2.043 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)Cc2ncc(Cl)n2C)n1 ZINC001600103881 1349971751 /nfs/dbraw/zinc/97/17/51/1349971751.db2.gz FPJJKXILBFRZSD-UHFFFAOYSA-N -1 0 339.739 2.020 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H](c3ccncn3)C2)n1 ZINC001600105109 1349972195 /nfs/dbraw/zinc/97/21/95/1349972195.db2.gz KAMKNLDFXJAMGY-NSHDSACASA-N -1 0 343.343 2.170 20 5 EEBDRM Cc1cc(N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)c(Cl)cc1[N+](=O)[O-] ZINC001600240768 1349999597 /nfs/dbraw/zinc/99/95/97/1349999597.db2.gz ZQMAEWVXAVSDRZ-SNVBAGLBSA-N -1 0 327.768 2.009 20 5 EEBDRM Cc1cc(N2CCc3nc(N)sc3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600243297 1350000588 /nfs/dbraw/zinc/00/05/88/1350000588.db2.gz LBAKXQRMIVHKGL-UHFFFAOYSA-N -1 0 334.357 2.203 20 5 EEBDRM Cc1cc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC001600243537 1350000594 /nfs/dbraw/zinc/00/05/94/1350000594.db2.gz NPSASHRYCLIKQP-JDICNCQASA-N -1 0 341.161 2.433 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c1 ZINC001600487152 1350063450 /nfs/dbraw/zinc/06/34/50/1350063450.db2.gz NIYGIHARRMPECB-KRWDZBQOSA-N -1 0 334.372 2.489 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001600488054 1350063762 /nfs/dbraw/zinc/06/37/62/1350063762.db2.gz IALDOVFKLQOUQB-SNVBAGLBSA-N -1 0 333.300 2.102 20 5 EEBDRM O=C([O-])c1cnc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC001601362742 1350266919 /nfs/dbraw/zinc/26/69/19/1350266919.db2.gz WZOWVDXVZCQLKM-UHFFFAOYSA-N -1 0 325.277 2.070 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC001601393398 1350272723 /nfs/dbraw/zinc/27/27/23/1350272723.db2.gz OKOSNXWZFUUNJX-SNVBAGLBSA-N -1 0 332.234 2.207 20 5 EEBDRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001601407900 1350277293 /nfs/dbraw/zinc/27/72/93/1350277293.db2.gz UNRDMMHZCGOMMO-SECBINFHSA-N -1 0 330.699 2.370 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC001601578440 1350311755 /nfs/dbraw/zinc/31/17/55/1350311755.db2.gz NYSPWSSUEFWDLQ-KWCXZLOBSA-N -1 0 343.339 2.305 20 5 EEBDRM O=C([O-])C1(CS(=O)(=O)Nc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001601716127 1350346439 /nfs/dbraw/zinc/34/64/39/1350346439.db2.gz NIFSDJJZIOGSMB-UHFFFAOYSA-N -1 0 342.373 2.372 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC001601716793 1350346842 /nfs/dbraw/zinc/34/68/42/1350346842.db2.gz HPLHTDUQHGGASX-CYBMUJFWSA-N -1 0 342.714 2.054 20 5 EEBDRM O=C([O-])[C@H]1[C@H](O)CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001601754943 1350357206 /nfs/dbraw/zinc/35/72/06/1350357206.db2.gz PGAOBOXNWLHOKW-GDBMZVCRSA-N -1 0 346.339 2.265 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001601773831 1350361351 /nfs/dbraw/zinc/36/13/51/1350361351.db2.gz VNFHRFWQOJQABX-HZMBPMFUSA-N -1 0 348.380 2.343 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@@H]1Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC001601810702 1350369629 /nfs/dbraw/zinc/36/96/29/1350369629.db2.gz WCHDFPXEJHMVSD-YPMHNXCESA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC001601810629 1350369674 /nfs/dbraw/zinc/36/96/74/1350369674.db2.gz VLWAVEJKTHFSPY-DGCLKSJQSA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccncc1 ZINC001601903954 1350393823 /nfs/dbraw/zinc/39/38/23/1350393823.db2.gz LSWABHRUZFJYRK-ZDUSSCGKSA-N -1 0 333.275 2.075 20 5 EEBDRM O=C([O-])Cc1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC001602119526 1350443106 /nfs/dbraw/zinc/44/31/06/1350443106.db2.gz XIAPWVUIMAVUEE-UHFFFAOYSA-N -1 0 342.351 2.471 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc([N+](=O)[O-])c1 ZINC001602244007 1350474538 /nfs/dbraw/zinc/47/45/38/1350474538.db2.gz FKILQIZZWXYGCZ-KFWWJZLASA-N -1 0 348.355 2.059 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc([N+](=O)[O-])c1 ZINC001602247853 1350475910 /nfs/dbraw/zinc/47/59/10/1350475910.db2.gz JVGAQANZSQWBGA-LBPRGKRZSA-N -1 0 346.299 2.120 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC001602341779 1350498852 /nfs/dbraw/zinc/49/88/52/1350498852.db2.gz GZGBMFXWSBQMFY-KBPBESRZSA-N -1 0 341.323 2.108 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001602526405 1350539092 /nfs/dbraw/zinc/53/90/92/1350539092.db2.gz KTVADPOBQZOTBE-NSHDSACASA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC001602541095 1350542357 /nfs/dbraw/zinc/54/23/57/1350542357.db2.gz YQBZWHXXIVTHJA-UHFFFAOYSA-N -1 0 337.238 2.419 20 5 EEBDRM O=C([O-])c1nc(N[C@@H]2C=CCC2)nc(N[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC001602570948 1350549277 /nfs/dbraw/zinc/54/92/77/1350549277.db2.gz NQDGWVOYIIVYBX-NXEZZACHSA-N -1 0 331.332 2.344 20 5 EEBDRM O=C([O-])c1ccnc(Nc2ccc3c(c2)COC(=O)N3)c1[N+](=O)[O-] ZINC001602661808 1350568383 /nfs/dbraw/zinc/56/83/83/1350568383.db2.gz XJKRLUZBFGFDKN-UHFFFAOYSA-N -1 0 330.256 2.494 20 5 EEBDRM CC(=O)N1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001603017135 1350622405 /nfs/dbraw/zinc/62/24/05/1350622405.db2.gz STLKTKLMBARHRM-SECBINFHSA-N -1 0 341.751 2.227 20 5 EEBDRM C[C@@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001603154327 1350651562 /nfs/dbraw/zinc/65/15/62/1350651562.db2.gz BXDHBHCZZBWKGH-LDWIPMOCSA-N -1 0 334.250 2.062 20 5 EEBDRM CCC[C@H](CNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])OCC ZINC001604143677 1350872709 /nfs/dbraw/zinc/87/27/09/1350872709.db2.gz JTCDXVHRYUGQLR-MRVPVSSYSA-N -1 0 326.382 2.454 20 5 EEBDRM C[C@@](NC(=O)C[C@@H]1C[C@H]1C1CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604276476 1350907387 /nfs/dbraw/zinc/90/73/87/1350907387.db2.gz ASRADQFTKZDDRU-YLVFBTJISA-N -1 0 332.356 2.447 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CCCC[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604313014 1350913302 /nfs/dbraw/zinc/91/33/02/1350913302.db2.gz DLRMGSOUNKDJGX-MNOVXSKESA-N -1 0 335.360 2.177 20 5 EEBDRM C[C@@H](Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])c1nccc(N)n1 ZINC001604365366 1350924327 /nfs/dbraw/zinc/92/43/27/1350924327.db2.gz YNXKIXYENIFSST-ZCFIWIBFSA-N -1 0 337.723 2.492 20 5 EEBDRM COc1cc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607068452 1351406575 /nfs/dbraw/zinc/40/65/75/1351406575.db2.gz WHUCIVDCQBOTCD-UFBFGSQYSA-N -1 0 340.307 2.068 20 5 EEBDRM COc1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC001607179492 1351443968 /nfs/dbraw/zinc/44/39/68/1351443968.db2.gz REUBERDJIDVBAV-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c(C(=O)[O-])c1 ZINC001607276033 1351463164 /nfs/dbraw/zinc/46/31/64/1351463164.db2.gz SAVXDMSTONIRED-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC001607307359 1351469456 /nfs/dbraw/zinc/46/94/56/1351469456.db2.gz BOOYMWONMYQFFW-AWEZNQCLSA-N -1 0 338.360 2.115 20 5 EEBDRM Cc1c(NC(=O)c2cn(C3CCC3)nn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607550779 1351514712 /nfs/dbraw/zinc/51/47/12/1351514712.db2.gz YBACBACXYRJSCX-UHFFFAOYSA-N -1 0 345.315 2.170 20 5 EEBDRM Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607580286 1351519327 /nfs/dbraw/zinc/51/93/27/1351519327.db2.gz CBEKJMZQZREFQE-AWEZNQCLSA-N -1 0 346.314 2.468 20 5 EEBDRM Cc1cc(N2CCOc3cc(C(=O)[O-])ccc3C2)ncc1[N+](=O)[O-] ZINC001607668841 1351536187 /nfs/dbraw/zinc/53/61/87/1351536187.db2.gz NVEALMWUOWSOPM-UHFFFAOYSA-N -1 0 329.312 2.395 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCC1 ZINC000838793702 1372863107 /nfs/dbraw/zinc/86/31/07/1372863107.db2.gz DEJWFQBKUFJQDZ-QMMMGPOBSA-N -1 0 346.792 2.489 20 5 EEBDRM Cc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1-c1nn[nH]n1 ZINC001592373647 1404023329 /nfs/dbraw/zinc/02/33/29/1404023329.db2.gz VTOJUWFYBFFLLW-UHFFFAOYSA-N -1 0 337.343 2.041 20 5 EEBDRM O=C(NCCN1CCc2ccccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000918327020 769037413 /nfs/dbraw/zinc/03/74/13/769037413.db2.gz WJDZIQVZQBWYRM-UHFFFAOYSA-N -1 0 327.340 2.093 20 5 EEBDRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000920321786 770675500 /nfs/dbraw/zinc/67/55/00/770675500.db2.gz BSYZRSDPDYHMQN-LUAWRHEFSA-N -1 0 326.374 2.287 20 5 EEBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccc2nonc21 ZINC000820800221 786478989 /nfs/dbraw/zinc/47/89/89/786478989.db2.gz CYDTWMRKAZVJPF-UHFFFAOYSA-N -1 0 348.340 2.115 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000844207241 788926459 /nfs/dbraw/zinc/92/64/59/788926459.db2.gz DMVPKVJIUOIXTB-UHFFFAOYSA-N -1 0 330.344 2.329 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc(N3CCOCC3)nc2)cc1[N+](=O)[O-] ZINC001174502762 797784086 /nfs/dbraw/zinc/78/40/86/797784086.db2.gz GIWYBNMODOOLJX-UHFFFAOYSA-N -1 0 344.327 2.268 20 5 EEBDRM COC(=O)c1cc(N)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)s1 ZINC001174503144 797784159 /nfs/dbraw/zinc/78/41/59/797784159.db2.gz VZCAXBDJGGODIZ-UHFFFAOYSA-N -1 0 337.313 2.467 20 5 EEBDRM O=C([O-])c1ccc(Nc2cccc3c2NC(=O)CO3)cc1[N+](=O)[O-] ZINC001174504420 797785101 /nfs/dbraw/zinc/78/51/01/797785101.db2.gz DNLRPSZPVSVPRF-UHFFFAOYSA-N -1 0 329.268 2.368 20 5 EEBDRM O=C1[N-]S(=O)(=O)c2cc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)ccc21 ZINC001175902359 798282261 /nfs/dbraw/zinc/28/22/61/798282261.db2.gz FKZHJOMQLRCQDC-BQYQJAHWSA-N -1 0 345.336 2.110 20 5 EEBDRM Nc1c2cccnc2c2ncccc2c1Nc1cnn(CC(=O)[O-])c1 ZINC001176271416 798414262 /nfs/dbraw/zinc/41/42/62/798414262.db2.gz SPDNEEHEKGYCOF-UHFFFAOYSA-N -1 0 334.339 2.390 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])c(NCC[N-]C(=O)C(F)(F)F)n1 ZINC001156200356 803380847 /nfs/dbraw/zinc/38/08/47/803380847.db2.gz UHHGFMYXIJMXCE-UHFFFAOYSA-N -1 0 326.662 2.042 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788121099 807379686 /nfs/dbraw/zinc/37/96/86/807379686.db2.gz YPAJOSHTBFQPSD-NXEZZACHSA-N -1 0 344.751 2.100 20 5 EEBDRM COCc1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000794001848 810633932 /nfs/dbraw/zinc/63/39/32/810633932.db2.gz GXZHMDFTSRULHJ-UHFFFAOYSA-N -1 0 345.311 2.274 20 5 EEBDRM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000804479709 810879571 /nfs/dbraw/zinc/87/95/71/810879571.db2.gz RSKCTNZAUFWORP-ZBEGNZNMSA-N -1 0 330.340 2.461 20 5 EEBDRM O=C([O-])[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000610846136 939808122 /nfs/dbraw/zinc/80/81/22/939808122.db2.gz MJAIEBWKGSNMLH-QGZVFWFLSA-N -1 0 326.308 2.251 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC001595187041 952272114 /nfs/dbraw/zinc/27/21/14/952272114.db2.gz NYHBNLAGNQKANU-WDEREUQCSA-N -1 0 338.747 2.431 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001595194217 952297412 /nfs/dbraw/zinc/29/74/12/952297412.db2.gz ORZYBGCKKQMWSI-LLVKDONJSA-N -1 0 326.736 2.256 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001589273526 953437624 /nfs/dbraw/zinc/43/76/24/953437624.db2.gz YTBHQGNGXNLGEN-HQRZJTNHSA-N -1 0 332.356 2.268 20 5 EEBDRM CNC(=O)c1ccc(NCc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593798720 954838704 /nfs/dbraw/zinc/83/87/04/954838704.db2.gz RPOFRAUBWMFFSM-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001589546226 955200226 /nfs/dbraw/zinc/20/02/26/955200226.db2.gz KEYUXSHQLKRTOL-SSDOTTSWSA-N -1 0 332.259 2.037 20 5 EEBDRM CC(C)C[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001603036788 972098846 /nfs/dbraw/zinc/09/88/46/972098846.db2.gz WOMXCUBYSIINDD-GFCCVEGCSA-N -1 0 326.324 2.282 20 5 EEBDRM COCCN(CCC(=O)[O-])C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC001594005869 956973508 /nfs/dbraw/zinc/97/35/08/956973508.db2.gz LLGPTSWRVRVVCJ-UHFFFAOYSA-N -1 0 339.348 2.167 20 5 EEBDRM Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594433382 959196946 /nfs/dbraw/zinc/19/69/46/959196946.db2.gz GQJBJUJUXQHOEI-SNVBAGLBSA-N -1 0 338.364 2.121 20 5 EEBDRM O=C([O-])[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162337395 959208411 /nfs/dbraw/zinc/20/84/11/959208411.db2.gz VSAGZDRAVQAZHG-VIFPVBQESA-N -1 0 329.150 2.264 20 5 EEBDRM C[C@H](C(=O)OCC1(C(=O)[O-])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001588607644 959492298 /nfs/dbraw/zinc/49/22/98/959492298.db2.gz WHUGLIDHXKUHOA-NSHDSACASA-N -1 0 337.328 2.123 20 5 EEBDRM Cc1c(CC(=O)NCc2ccccc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001594259284 959680095 /nfs/dbraw/zinc/68/00/95/959680095.db2.gz JYZLJJVOFCNRRY-UHFFFAOYSA-N -1 0 328.324 2.460 20 5 EEBDRM CN(C)c1ccc(COC(=O)c2ccc(C(=O)[O-])nc2)cc1[N+](=O)[O-] ZINC001573996823 961843142 /nfs/dbraw/zinc/84/31/42/961843142.db2.gz HVNONCKABNJRKD-UHFFFAOYSA-N -1 0 345.311 2.111 20 5 EEBDRM CC(C)Oc1cc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC001609828380 970547977 /nfs/dbraw/zinc/54/79/77/970547977.db2.gz VRGVNVIZYNUDBH-SNVBAGLBSA-N -1 0 336.344 2.460 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001610649347 970758495 /nfs/dbraw/zinc/75/84/95/970758495.db2.gz WNQZMYUHZVEUFI-UHFFFAOYSA-N -1 0 333.275 2.196 20 5 EEBDRM CSc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1[N+](=O)[O-] ZINC001604971689 972564507 /nfs/dbraw/zinc/56/45/07/972564507.db2.gz JJTZJWAYLLIGEZ-ZJUUUORDSA-N -1 0 338.385 2.500 20 5 EEBDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001604999351 972597953 /nfs/dbraw/zinc/59/79/53/972597953.db2.gz MICLPVOYKJNAIY-IAQYHMDHSA-N -1 0 345.355 2.404 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)C1(C(=O)[O-])CCSCC1 ZINC001604834154 974077353 /nfs/dbraw/zinc/07/73/53/974077353.db2.gz OWAKTEUCCZKLDB-UHFFFAOYSA-N -1 0 340.357 2.140 20 5 EEBDRM O=C([O-])[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001605703188 974129907 /nfs/dbraw/zinc/12/99/07/974129907.db2.gz WUBNEQPKIDTIRU-OAHLLOKOSA-N -1 0 348.286 2.055 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC001605709128 974137307 /nfs/dbraw/zinc/13/73/07/974137307.db2.gz FBJHQOOPXMKCCD-AWEZNQCLSA-N -1 0 332.287 2.219 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(=O)[O-] ZINC001603926250 974418407 /nfs/dbraw/zinc/41/84/07/974418407.db2.gz SDGASYUVGRNZCP-KGFZYKRKSA-N -1 0 344.755 2.451 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)OCc2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC001591921307 976394990 /nfs/dbraw/zinc/39/49/90/976394990.db2.gz XTJGKCXSZHYXGR-UHFFFAOYSA-N -1 0 333.300 2.497 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001591921324 976395284 /nfs/dbraw/zinc/39/52/84/976395284.db2.gz XXCPDPALZBGKIY-QMMMGPOBSA-N -1 0 326.353 2.061 20 5 EEBDRM CC(C)n1nccc1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592163410 977053453 /nfs/dbraw/zinc/05/34/53/977053453.db2.gz DYXOASVIYXQVAZ-UHFFFAOYSA-N -1 0 333.300 2.427 20 5 EEBDRM C[C@@H](CS(=O)(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C1CC1 ZINC001592813888 979498569 /nfs/dbraw/zinc/49/85/69/979498569.db2.gz JOMKLKZCRGKTSA-QMMMGPOBSA-N -1 0 329.330 2.048 20 5 EEBDRM CO[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000849349058 979499956 /nfs/dbraw/zinc/49/99/56/979499956.db2.gz OINHXBSEXFDXAQ-BYSCNOHMSA-N -1 0 336.344 2.156 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001595211499 979993070 /nfs/dbraw/zinc/99/30/70/979993070.db2.gz GYALFNGTGXPHEO-LLVKDONJSA-N -1 0 346.343 2.234 20 5 EEBDRM CCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])c(C(=O)[O-])n1)c1ccccc1 ZINC001595598806 981569522 /nfs/dbraw/zinc/56/95/22/981569522.db2.gz OAJWBLUPYUJTRF-GFCCVEGCSA-N -1 0 346.343 2.147 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001594901066 982354869 /nfs/dbraw/zinc/35/48/69/982354869.db2.gz DFTAMJVTEPDCOA-IINYFYTJSA-N -1 0 340.401 2.444 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001594902152 982360812 /nfs/dbraw/zinc/36/08/12/982360812.db2.gz KLLPNQMHCAIWCA-SDBXPKJASA-N -1 0 344.364 2.442 20 5 EEBDRM CCOC(=O)c1cc(NCc2nc(C(=O)[O-])co2)ccc1[N+](=O)[O-] ZINC001596712792 984929296 /nfs/dbraw/zinc/92/92/96/984929296.db2.gz XCGOUEISIFQEHJ-UHFFFAOYSA-N -1 0 335.272 2.070 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H](C(=O)[O-])O1 ZINC001599931884 985329972 /nfs/dbraw/zinc/32/99/72/985329972.db2.gz BTONRAFBBRNYNZ-CPCISQLKSA-N -1 0 334.250 2.292 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC[S@@](=O)C1 ZINC001594575811 986413899 /nfs/dbraw/zinc/41/38/99/986413899.db2.gz OQTRMGGVOTWXPU-QSIZCVBASA-N -1 0 346.792 2.151 20 5 EEBDRM CC(C)(CN1CCOCC1)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001590702651 990428806 /nfs/dbraw/zinc/42/88/06/990428806.db2.gz JDTIZMSUBNRFLZ-GQCTYLIASA-N -1 0 349.387 2.215 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598501022 992434133 /nfs/dbraw/zinc/43/41/33/992434133.db2.gz AVKSVRPCCQMTBJ-UHFFFAOYSA-N -1 0 346.299 2.275 20 5 EEBDRM COc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(O)c1 ZINC001599594251 993728004 /nfs/dbraw/zinc/72/80/04/993728004.db2.gz ZFZSKSRRBGJNMX-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(N2CCc3ccc(C(=O)[O-])nc3C2)c1 ZINC001599622027 994097711 /nfs/dbraw/zinc/09/77/11/994097711.db2.gz LIIGIBORIVLLCS-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM C[C@](NC(=O)c1csc(C=O)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593189421 994112100 /nfs/dbraw/zinc/11/21/00/994112100.db2.gz RAPCBXNYQFCDIM-OAHLLOKOSA-N -1 0 348.336 2.199 20 5 EEBDRM CC1(C)C(=O)N[C@H]1C1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001593822314 996560442 /nfs/dbraw/zinc/56/04/42/996560442.db2.gz FFRZQISCYKIUSJ-AWEZNQCLSA-N -1 0 347.371 2.034 20 5 EEBDRM COC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598877399 996771951 /nfs/dbraw/zinc/77/19/51/996771951.db2.gz HRAGTCPFECUKEB-UHFFFAOYSA-N -1 0 345.739 2.081 20 5 EEBDRM COc1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CCC2)c([N+](=O)[O-])cc1F ZINC001599350647 998087342 /nfs/dbraw/zinc/08/73/42/998087342.db2.gz IYRCDIXFJHGVDK-QMMMGPOBSA-N -1 0 340.307 2.210 20 5 EEBDRM C[C@@H]1[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CCN1C ZINC001594177835 998691173 /nfs/dbraw/zinc/69/11/73/998691173.db2.gz ADKVVNPISZIBKP-RKDXNWHRSA-N -1 0 327.768 2.475 20 5 EEBDRM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594446918 999640640 /nfs/dbraw/zinc/64/06/40/999640640.db2.gz DNHBNXBKMCQYJV-XLKFXECMSA-N -1 0 344.327 2.321 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000038022563 213191290 /nfs/dbraw/zinc/19/12/90/213191290.db2.gz ZTOFSAFXVQGDTI-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM O=C([O-])C[C@@H]1CSCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261766670 304080428 /nfs/dbraw/zinc/08/04/28/304080428.db2.gz VNIIMSPLSLPPFZ-SECBINFHSA-N -1 0 344.776 2.281 20 5 EEBDRM CCC[C@](C)(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000236847365 242379797 /nfs/dbraw/zinc/37/97/97/242379797.db2.gz LJECWBANSKVLKV-INIZCTEOSA-N -1 0 346.343 2.154 20 5 EEBDRM O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000456339343 244220423 /nfs/dbraw/zinc/22/04/23/244220423.db2.gz XNELUOCEORROCS-BBRMVZONSA-N -1 0 343.339 2.346 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262802482 245187218 /nfs/dbraw/zinc/18/72/18/245187218.db2.gz MRPOJTIAPKILTH-UHFFFAOYSA-N -1 0 344.751 2.339 20 5 EEBDRM CCC[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263155250 245346375 /nfs/dbraw/zinc/34/63/75/245346375.db2.gz JJJKEQOWXBJHPK-LLVKDONJSA-N -1 0 335.360 2.400 20 5 EEBDRM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000271743184 256240037 /nfs/dbraw/zinc/24/00/37/256240037.db2.gz XLZUGACECYOSBR-MFKMUULPSA-N -1 0 346.380 2.216 20 5 EEBDRM CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119137998 292241893 /nfs/dbraw/zinc/24/18/93/292241893.db2.gz ASGDNGFURFCNMH-XMMPIXPASA-N -1 0 348.380 2.310 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263157360 152390394 /nfs/dbraw/zinc/39/03/94/152390394.db2.gz HYZLGEYYGYTDTR-PWSUYJOCSA-N -1 0 347.371 2.494 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccn2)c2ncccc12 ZINC000185614751 160042671 /nfs/dbraw/zinc/04/26/71/160042671.db2.gz YYWXAPLHCGSJLV-UHFFFAOYSA-N -1 0 330.325 2.339 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000238035570 160227440 /nfs/dbraw/zinc/22/74/40/160227440.db2.gz YQNGIOCAWRZYAI-UHFFFAOYSA-N -1 0 343.339 2.441 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000134666519 292435669 /nfs/dbraw/zinc/43/56/69/292435669.db2.gz COUFWXYOYYDFQO-UHFFFAOYSA-N -1 0 326.305 2.027 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000346018526 161350282 /nfs/dbraw/zinc/35/02/82/161350282.db2.gz QZXKTXNHTXYVQE-UHFFFAOYSA-N -1 0 333.344 2.378 20 5 EEBDRM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000352889739 162332243 /nfs/dbraw/zinc/33/22/43/162332243.db2.gz IMLLWCIDZSADTJ-UHFFFAOYSA-N -1 0 342.402 2.048 20 5 EEBDRM O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356626321 163491846 /nfs/dbraw/zinc/49/18/46/163491846.db2.gz BPOWRHYECNZKPT-GFCCVEGCSA-N -1 0 348.330 2.021 20 5 EEBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000357089808 163622189 /nfs/dbraw/zinc/62/21/89/163622189.db2.gz YZTSOEZWKSLWJP-UHFFFAOYSA-N -1 0 346.258 2.055 20 5 EEBDRM CCc1ncc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000359652087 164145646 /nfs/dbraw/zinc/14/56/46/164145646.db2.gz OKALXCRYDVYHNJ-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM CCc1onc(C)c1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000157441377 224827195 /nfs/dbraw/zinc/82/71/95/224827195.db2.gz PELVYFCXOQBXGY-UHFFFAOYSA-N -1 0 339.373 2.438 20 5 EEBDRM C[C@H]1CCCN(c2ccc(C(=O)NCCCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000362431629 299853057 /nfs/dbraw/zinc/85/30/57/299853057.db2.gz WXZOMRCWDBAFOD-LBPRGKRZSA-N -1 0 349.387 2.426 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)CCCC(=O)[O-] ZINC000275027418 269086132 /nfs/dbraw/zinc/08/61/32/269086132.db2.gz SUTSGUSZKNFIQH-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000280148887 269332509 /nfs/dbraw/zinc/33/25/09/269332509.db2.gz UHGWXSZCERZFBF-SNVBAGLBSA-N -1 0 332.316 2.170 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c1C ZINC000288260140 275039985 /nfs/dbraw/zinc/03/99/85/275039985.db2.gz CIVGYOGDVMMGAP-MRVPVSSYSA-N -1 0 326.296 2.441 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@](CO)(c2ccccc2)C1 ZINC000291112356 275271685 /nfs/dbraw/zinc/27/16/85/275271685.db2.gz FMXIIGZVSYOHNG-SFHVURJKSA-N -1 0 342.351 2.077 20 5 EEBDRM CCC(CC)(C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])OC ZINC000291980366 275360327 /nfs/dbraw/zinc/36/03/27/275360327.db2.gz RVKCKPYZXDIMMF-UHFFFAOYSA-N -1 0 334.369 2.217 20 5 EEBDRM Cc1cc(C)nc(N2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000339040080 280458855 /nfs/dbraw/zinc/45/88/55/280458855.db2.gz AYHNZAJGUXUMAR-UHFFFAOYSA-N -1 0 343.387 2.029 20 5 EEBDRM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)o1 ZINC000116988310 301748946 /nfs/dbraw/zinc/74/89/46/301748946.db2.gz YCKLYFMMBBNEMC-ZDUSSCGKSA-N -1 0 332.312 2.416 20 5 EEBDRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000320164155 311594853 /nfs/dbraw/zinc/59/48/53/311594853.db2.gz PMONQKJGJAPBMQ-SNVBAGLBSA-N -1 0 344.389 2.085 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000325992097 311603095 /nfs/dbraw/zinc/60/30/95/311603095.db2.gz DBAXTXVKLOBVNM-DWTOQLPESA-N -1 0 330.340 2.320 20 5 EEBDRM Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331849306 311913119 /nfs/dbraw/zinc/91/31/19/311913119.db2.gz CPCIWNQDBCMUPM-MRXNPFEDSA-N -1 0 346.387 2.224 20 5 EEBDRM O=C(Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1)NC1CCCCC1 ZINC000350539672 312328330 /nfs/dbraw/zinc/32/83/30/312328330.db2.gz OLGVNZTWLXZYEO-UHFFFAOYSA-N -1 0 346.343 2.342 20 5 EEBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000414391074 313010479 /nfs/dbraw/zinc/01/04/79/313010479.db2.gz ZOKXIVHMSHLZRG-UHFFFAOYSA-N -1 0 337.357 2.445 20 5 EEBDRM CO[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC(C)C ZINC000416655875 313287757 /nfs/dbraw/zinc/28/77/57/313287757.db2.gz XJIBIMAOSULZOH-SNVBAGLBSA-N -1 0 334.369 2.073 20 5 EEBDRM O=C(NCc1ccc2c(c1)OCCCO2)c1cccc([N+](=O)[O-])c1[O-] ZINC000436929197 315013654 /nfs/dbraw/zinc/01/36/54/315013654.db2.gz YLUCGLBUTVHJNS-UHFFFAOYSA-N -1 0 344.323 2.392 20 5 EEBDRM COC(=O)c1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1O ZINC000436970293 315017885 /nfs/dbraw/zinc/01/78/85/315017885.db2.gz CSVGEDMZMWFULB-UHFFFAOYSA-N -1 0 332.268 2.045 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436969806 315017992 /nfs/dbraw/zinc/01/79/92/315017992.db2.gz ANETUKJHFFURFI-RYUDHWBXSA-N -1 0 349.387 2.114 20 5 EEBDRM CC(=O)NCc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436970447 315018276 /nfs/dbraw/zinc/01/82/76/315018276.db2.gz LIGFVEAZFBSRRQ-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM CN1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])Cc2ccccc21 ZINC000444539405 315306983 /nfs/dbraw/zinc/30/69/83/315306983.db2.gz FFULOMCLQHYQDF-LBPRGKRZSA-N -1 0 341.367 2.339 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C/C2CCCC2)ccc1[N+](=O)[O-] ZINC000493189792 315907293 /nfs/dbraw/zinc/90/72/93/315907293.db2.gz RCPSSGPPLNOFLH-RMKNXTFCSA-N -1 0 338.385 2.455 20 5 EEBDRM C[C@H]1CCCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000515056589 316455339 /nfs/dbraw/zinc/45/53/39/316455339.db2.gz CXVFMYPEJZFIJD-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM CCC(CC)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000517233931 316653072 /nfs/dbraw/zinc/65/30/72/316653072.db2.gz JOOCWJUPGGOSDE-UHFFFAOYSA-N -1 0 344.389 2.316 20 5 EEBDRM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])o1 ZINC000525186695 317043714 /nfs/dbraw/zinc/04/37/14/317043714.db2.gz KVNVTRRTQVTYRH-MWLCHTKSSA-N -1 0 337.357 2.185 20 5 EEBDRM COc1cc(-c2nc3cc[nH]cc-3n2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000536136927 317991015 /nfs/dbraw/zinc/99/10/15/317991015.db2.gz QBCKYZFOGYYFES-UHFFFAOYSA-N -1 0 344.283 2.005 20 5 EEBDRM COc1cccc(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1OC ZINC000544511001 318188690 /nfs/dbraw/zinc/18/86/90/318188690.db2.gz NBSXKIQMKLKZGW-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM COc1ccccc1OCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000548444977 318389408 /nfs/dbraw/zinc/38/94/08/318389408.db2.gz REWPHLNDJWHWLD-UHFFFAOYSA-N -1 0 332.312 2.118 20 5 EEBDRM CCC[C@@H](CCO)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565952761 319230222 /nfs/dbraw/zinc/23/02/22/319230222.db2.gz GFMILBKWGZCLAM-VIFPVBQESA-N -1 0 330.768 2.482 20 5 EEBDRM CN(C[C@H]1CCC[C@H]1O)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000569579487 319590408 /nfs/dbraw/zinc/59/04/08/319590408.db2.gz NOIWKSYRMIXUQI-PRHODGIISA-N -1 0 328.752 2.187 20 5 EEBDRM COc1ccc(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c(OC)c1 ZINC000570097283 319636098 /nfs/dbraw/zinc/63/60/98/319636098.db2.gz AJTVBYNOXLQZCO-UHFFFAOYSA-N -1 0 347.327 2.360 20 5 EEBDRM CN(Cc1ccc2c(c1)OCCO2)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570165986 319641840 /nfs/dbraw/zinc/64/18/40/319641840.db2.gz HGMVWCVRVRYNRT-UHFFFAOYSA-N -1 0 345.311 2.096 20 5 EEBDRM CC(C)[C@@]1(C(=O)[O-])CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000573924846 319979422 /nfs/dbraw/zinc/97/94/22/319979422.db2.gz ZLISBOQNFUUCKT-MRXNPFEDSA-N -1 0 330.344 2.475 20 5 EEBDRM CCOC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000580775781 324126920 /nfs/dbraw/zinc/12/69/20/324126920.db2.gz IUILVUAVMWWEFR-SNVBAGLBSA-N -1 0 342.735 2.122 20 5 EEBDRM CN(C)c1cccc(CN(C)c2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000583443507 324665258 /nfs/dbraw/zinc/66/52/58/324665258.db2.gz QXBGNMBLOZIXFA-UHFFFAOYSA-N -1 0 330.344 2.390 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CCSC3)C2)n1 ZINC000583633605 324702050 /nfs/dbraw/zinc/70/20/50/324702050.db2.gz NWOBYCFWNXSLGP-XPTSAGLGSA-N -1 0 339.373 2.155 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2noc(C3CC3)n2)c1[N+](=O)[O-] ZINC000191790119 533709355 /nfs/dbraw/zinc/70/93/55/533709355.db2.gz COZHAUAVPHUKIV-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM CCOCC(C)(C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000292819589 464352568 /nfs/dbraw/zinc/35/25/68/464352568.db2.gz NWRSFEVFVNFYKQ-UHFFFAOYSA-N -1 0 330.406 2.305 20 5 EEBDRM O=C([O-])c1cnc(N2CCN(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000327385811 465051444 /nfs/dbraw/zinc/05/14/44/465051444.db2.gz PYEDVXWHVPCQET-UHFFFAOYSA-N -1 0 346.318 2.154 20 5 EEBDRM O=C([O-])c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1F ZINC000336876623 465070444 /nfs/dbraw/zinc/07/04/44/465070444.db2.gz UDQILPGGEQZPLA-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM O=C([O-])c1cnc(N2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000579014278 468296295 /nfs/dbraw/zinc/29/62/95/468296295.db2.gz QHNOZRPCORDZTH-KRWDZBQOSA-N -1 0 341.323 2.324 20 5 EEBDRM CC(=O)Nc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000157805502 463171674 /nfs/dbraw/zinc/17/16/74/463171674.db2.gz FKCQQDHPDAAMAS-UHFFFAOYSA-N -1 0 343.339 2.231 20 5 EEBDRM O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000136521410 463244225 /nfs/dbraw/zinc/24/42/25/463244225.db2.gz AXSIWDSMEYRSOJ-UHFFFAOYSA-N -1 0 343.274 2.273 20 5 EEBDRM O=C(NCc1ccc(OCC2CC2)nc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000160316028 463328685 /nfs/dbraw/zinc/32/86/85/463328685.db2.gz DZHWHQJZWFOOKX-UHFFFAOYSA-N -1 0 343.339 2.414 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc3ccccn32)c1C ZINC000152169643 463656675 /nfs/dbraw/zinc/65/66/75/463656675.db2.gz BWEPCOHEJJLUQC-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM NC(=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000186274264 463965907 /nfs/dbraw/zinc/96/59/07/463965907.db2.gz PSFJFRWWDDKOSZ-UHFFFAOYSA-N -1 0 335.703 2.305 20 5 EEBDRM CCC[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262198932 463971517 /nfs/dbraw/zinc/97/15/17/463971517.db2.gz VRVJBXRUEKBJNF-JOYOIKCWSA-N -1 0 326.374 2.445 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CCSCC1 ZINC000195141227 464001974 /nfs/dbraw/zinc/00/19/74/464001974.db2.gz SQXCTJHHAOCBNB-UHFFFAOYSA-N -1 0 336.822 2.422 20 5 EEBDRM CCO[C@@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C12CCC2 ZINC000262345251 464006961 /nfs/dbraw/zinc/00/69/61/464006961.db2.gz AHSQFNVAKKZSFG-UONOGXRCSA-N -1 0 348.355 2.371 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000262474623 464029590 /nfs/dbraw/zinc/02/95/90/464029590.db2.gz BWFPSVVVYBXYCS-UHFFFAOYSA-N -1 0 331.328 2.449 20 5 EEBDRM CCc1ccc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000262473820 464030025 /nfs/dbraw/zinc/03/00/25/464030025.db2.gz CLBOSDGEZDZZDB-LBPRGKRZSA-N -1 0 338.385 2.190 20 5 EEBDRM O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000279842763 464155495 /nfs/dbraw/zinc/15/54/95/464155495.db2.gz FOZYPSGQPHJFNV-VIFPVBQESA-N -1 0 332.316 2.170 20 5 EEBDRM Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180768387 464390698 /nfs/dbraw/zinc/39/06/98/464390698.db2.gz HJRZUZKCWDRMPX-UHFFFAOYSA-N -1 0 343.299 2.250 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(N(C)C)n1 ZINC000181094638 464444457 /nfs/dbraw/zinc/44/44/57/464444457.db2.gz XYDQGCFYUFKPRR-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM CCc1nn(C)c(CC)c1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182158644 464586302 /nfs/dbraw/zinc/58/63/02/464586302.db2.gz UWQHQMLYUKACSJ-UHFFFAOYSA-N -1 0 332.360 2.089 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272408150 464596274 /nfs/dbraw/zinc/59/62/74/464596274.db2.gz OFVNKXPZIVJHFJ-BMIGLBTASA-N -1 0 338.385 2.085 20 5 EEBDRM O=C(NCc1cccc([N+](=O)[O-])c1)c1nn(-c2ccccc2)cc1[O-] ZINC000175749487 464614941 /nfs/dbraw/zinc/61/49/41/464614941.db2.gz MEMRCWIXDLXBGH-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM C[S@](=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000175908415 464656473 /nfs/dbraw/zinc/65/64/73/464656473.db2.gz MSVIFRIROROTQI-OZAJXLCCSA-N -1 0 348.380 2.150 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]OC[C@H]1CCOC1 ZINC000276215654 464849136 /nfs/dbraw/zinc/84/91/36/464849136.db2.gz BKUCRYWJPWXZKY-MNOVXSKESA-N -1 0 326.374 2.160 20 5 EEBDRM CCOC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000276615387 465001801 /nfs/dbraw/zinc/00/18/01/465001801.db2.gz DOQTWMPOLHODPW-NSHDSACASA-N -1 0 334.369 2.073 20 5 EEBDRM COc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1NC(N)=O ZINC000356803306 465549987 /nfs/dbraw/zinc/54/99/87/465549987.db2.gz LPVDFEWTBBUJBW-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM CCc1oc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1C(=O)OC ZINC000338551068 466215243 /nfs/dbraw/zinc/21/52/43/466215243.db2.gz HMSOJUFXRZGKPO-UHFFFAOYSA-N -1 0 334.284 2.495 20 5 EEBDRM Cc1cc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000331985645 466335451 /nfs/dbraw/zinc/33/54/51/466335451.db2.gz YTKXYZHPMRAERG-GFCCVEGCSA-N -1 0 331.332 2.094 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000324947903 466651569 /nfs/dbraw/zinc/65/15/69/466651569.db2.gz ZSFJZSDPMSXPRY-SNVBAGLBSA-N -1 0 337.332 2.322 20 5 EEBDRM CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1nnn[n-]1 ZINC000413597988 467275062 /nfs/dbraw/zinc/27/50/62/467275062.db2.gz YCPZXKDCNNXKCH-LLVKDONJSA-N -1 0 348.363 2.166 20 5 EEBDRM COCCOc1ccccc1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000514792038 467955238 /nfs/dbraw/zinc/95/52/38/467955238.db2.gz GGSORTHVXRQLPC-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM Cc1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000515302246 467983897 /nfs/dbraw/zinc/98/38/97/467983897.db2.gz NQEAWOMOLGGCSM-BZNIZROVSA-N -1 0 336.344 2.351 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]([C@@H](CO)C2CC2)C2CC2)n1 ZINC000515302424 467984046 /nfs/dbraw/zinc/98/40/46/467984046.db2.gz SMKXKHDNAABZLC-STQMWFEESA-N -1 0 335.360 2.205 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1C[C@@H](CO)Cc2ccccc21 ZINC000590405744 468248048 /nfs/dbraw/zinc/24/80/48/468248048.db2.gz HVXGJYLUZDZGTM-NSHDSACASA-N -1 0 328.324 2.112 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H](n2cccn2)C1 ZINC000578772995 468256087 /nfs/dbraw/zinc/25/60/87/468256087.db2.gz ABEDYDSETFCCOG-JTQLQIEISA-N -1 0 336.735 2.238 20 5 EEBDRM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569608499 468517929 /nfs/dbraw/zinc/51/79/29/468517929.db2.gz CBEZDCJHPNHGLS-UHFFFAOYSA-N -1 0 330.362 2.104 20 5 EEBDRM Nc1nc(C2CCCC2)ncc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000597442401 468556994 /nfs/dbraw/zinc/55/69/94/468556994.db2.gz KFGVZIINTYTFKX-UHFFFAOYSA-N -1 0 343.343 2.583 20 5 EEBDRM C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000594721574 468663274 /nfs/dbraw/zinc/66/32/74/468663274.db2.gz XQMDVPCNYZOIJE-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600872121 468672275 /nfs/dbraw/zinc/67/22/75/468672275.db2.gz HPALVOMBSYAZOM-UHFFFAOYSA-N -1 0 329.312 2.298 20 5 EEBDRM CCCCO[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874714 468672595 /nfs/dbraw/zinc/67/25/95/468672595.db2.gz KIUYEFDMYPGYEP-BDJLRTHQSA-N -1 0 338.360 2.216 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000600883209 468675128 /nfs/dbraw/zinc/67/51/28/468675128.db2.gz XZZPDZMOHZWMBD-BZPMIXESSA-N -1 0 347.371 2.109 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000571120101 468741843 /nfs/dbraw/zinc/74/18/43/468741843.db2.gz UVZBYQPGCWXERF-JTQLQIEISA-N -1 0 345.764 2.282 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@]2(CCOC2)C1 ZINC000592773811 468781653 /nfs/dbraw/zinc/78/16/53/468781653.db2.gz ZQUUTYBUEKMZEP-CQSZACIVSA-N -1 0 326.736 2.206 20 5 EEBDRM CNc1ccc(C(=O)N=c2nc(CC(C)C)[n-]s2)cc1[N+](=O)[O-] ZINC000598191758 468791069 /nfs/dbraw/zinc/79/10/69/468791069.db2.gz RZBMUSLORJOPOG-UHFFFAOYSA-N -1 0 335.389 2.361 20 5 EEBDRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595280609 468799530 /nfs/dbraw/zinc/79/95/30/468799530.db2.gz PMIAZWJBXUWGSY-VXNVDRBHSA-N -1 0 349.265 2.234 20 5 EEBDRM CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000560480667 468816905 /nfs/dbraw/zinc/81/69/05/468816905.db2.gz FHIYJOZTBITXKO-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM COc1cccc2c1OC[C@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000592972018 468831967 /nfs/dbraw/zinc/83/19/67/468831967.db2.gz NWSFIXJUTCUFMD-LLVKDONJSA-N -1 0 345.311 2.112 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000598661216 468949674 /nfs/dbraw/zinc/94/96/74/468949674.db2.gz FRYOQNYBZQZERR-OAHLLOKOSA-N -1 0 335.360 2.156 20 5 EEBDRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000562737954 469056826 /nfs/dbraw/zinc/05/68/26/469056826.db2.gz VBBFXLLPBNLQSU-NSHDSACASA-N -1 0 344.389 2.085 20 5 EEBDRM CN(C(=O)CN1CCC(CCC(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595883085 469061802 /nfs/dbraw/zinc/06/18/02/469061802.db2.gz UOLDBQSNXVZXLI-UHFFFAOYSA-N -1 0 349.387 2.134 20 5 EEBDRM O=C([O-])CCCCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000595970426 469102417 /nfs/dbraw/zinc/10/24/17/469102417.db2.gz XOKHUIBPELEZLT-UHFFFAOYSA-N -1 0 341.339 2.237 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000595973448 469103336 /nfs/dbraw/zinc/10/33/36/469103336.db2.gz NOITWPOKPJCZKJ-ZYHUDNBSSA-N -1 0 347.371 2.177 20 5 EEBDRM Cc1cc(N2CCO[C@](C)(C(F)F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000596027368 469121392 /nfs/dbraw/zinc/12/13/92/469121392.db2.gz WVAAHMJFFHMBBZ-AWEZNQCLSA-N -1 0 330.287 2.462 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000611534563 469273759 /nfs/dbraw/zinc/27/37/59/469273759.db2.gz YTWAQECPRCBBRV-MRVPVSSYSA-N -1 0 342.311 2.373 20 5 EEBDRM CS[C@H](CO)[C@@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000738180865 576711805 /nfs/dbraw/zinc/71/18/05/576711805.db2.gz FZMHKKNSRAOQAY-MKKOBCRBSA-N -1 0 326.374 2.217 20 5 EEBDRM COc1ccc(NC(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000738027010 576723926 /nfs/dbraw/zinc/72/39/26/576723926.db2.gz SJGVSPIZDFZYOC-RKDXNWHRSA-N -1 0 342.373 2.384 20 5 EEBDRM CCOCCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000773918882 577373007 /nfs/dbraw/zinc/37/30/07/577373007.db2.gz OUZNPBGNDXYTSK-VIFPVBQESA-N -1 0 332.740 2.100 20 5 EEBDRM CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000776658094 577465473 /nfs/dbraw/zinc/46/54/73/577465473.db2.gz TYTPFXOFJVIBSJ-UHFFFAOYSA-N -1 0 342.354 2.180 20 5 EEBDRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770775422 577603410 /nfs/dbraw/zinc/60/34/10/577603410.db2.gz MHUVLMLHRJEFFH-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM Cc1cnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)nc1 ZINC000758427058 577624623 /nfs/dbraw/zinc/62/46/23/577624623.db2.gz ZGEMUMFEBJZRSH-UHFFFAOYSA-N -1 0 342.764 2.456 20 5 EEBDRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000762733620 577706765 /nfs/dbraw/zinc/70/67/65/577706765.db2.gz CKOMTPVVHBMQTA-UHFFFAOYSA-N -1 0 342.417 2.410 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C2(C)CCC2)cc([N+](=O)[O-])c1C ZINC000750676016 577741040 /nfs/dbraw/zinc/74/10/40/577741040.db2.gz BUUQLZDJXJFPFL-UHFFFAOYSA-N -1 0 326.374 2.207 20 5 EEBDRM CC(C)(C)OC(=O)N1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755637010 577828337 /nfs/dbraw/zinc/82/83/37/577828337.db2.gz AAEZPZYACAPRBG-UHFFFAOYSA-N -1 0 337.332 2.298 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOC[C@H]2c2ccco2)cc([N+](=O)[O-])c1 ZINC000738672932 578023436 /nfs/dbraw/zinc/02/34/36/578023436.db2.gz NKPWFVDQFSKTEE-ZDUSSCGKSA-N -1 0 346.295 2.100 20 5 EEBDRM O=C([O-])c1ccnc(NCc2ccn(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000738693853 578023993 /nfs/dbraw/zinc/02/39/93/578023993.db2.gz PQEQBROUATWZQC-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM NC(=O)C1CCC(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000739153621 578041078 /nfs/dbraw/zinc/04/10/78/578041078.db2.gz PSGZTGUYGPZEHF-WAPJZHGLSA-N -1 0 333.344 2.149 20 5 EEBDRM NC(=O)c1ccc(NCCc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000739179710 578042863 /nfs/dbraw/zinc/04/28/63/578042863.db2.gz AOHQXQWRVPGWEV-UHFFFAOYSA-N -1 0 344.327 2.438 20 5 EEBDRM O=C([O-])N1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000739387199 578051524 /nfs/dbraw/zinc/05/15/24/578051524.db2.gz LDTCVLUSQWVJSR-JTQLQIEISA-N -1 0 327.724 2.120 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCCOCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000740073985 578079730 /nfs/dbraw/zinc/07/97/30/578079730.db2.gz CBDSQBJPKDMLEP-UHFFFAOYSA-N -1 0 337.206 2.029 20 5 EEBDRM CC(C)[C@H](NC(=O)[O-])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000736366499 578199155 /nfs/dbraw/zinc/19/91/55/578199155.db2.gz XWUIKFLWOGXRAN-LBPRGKRZSA-N -1 0 343.767 2.499 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N[C@@H]2CC=CCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736656011 578216829 /nfs/dbraw/zinc/21/68/29/578216829.db2.gz HTTOHYBKGIPBJS-ZYHUDNBSSA-N -1 0 333.344 2.318 20 5 EEBDRM CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccccc1C(=O)[O-] ZINC000737052861 578235373 /nfs/dbraw/zinc/23/53/73/578235373.db2.gz JKMRFELOGAGHIV-UHFFFAOYSA-N -1 0 346.343 2.241 20 5 EEBDRM CCNc1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000737129324 578239747 /nfs/dbraw/zinc/23/97/47/578239747.db2.gz JKANEODTZRXNHL-UHFFFAOYSA-N -1 0 333.300 2.248 20 5 EEBDRM CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737322994 578250371 /nfs/dbraw/zinc/25/03/71/578250371.db2.gz LSOFFBQHGVSLES-MRXNPFEDSA-N -1 0 344.323 2.258 20 5 EEBDRM Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818769156 597067028 /nfs/dbraw/zinc/06/70/28/597067028.db2.gz ACVOHTVZZFQGIV-NSHDSACASA-N -1 0 339.304 2.041 20 5 EEBDRM O=C([O-])C1(NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1 ZINC000819225228 597264515 /nfs/dbraw/zinc/26/45/15/597264515.db2.gz YIIUJFFULVWAAX-UHFFFAOYSA-N -1 0 332.316 2.132 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000833005224 600699467 /nfs/dbraw/zinc/69/94/67/600699467.db2.gz SCMHEWHSUIWVKT-UHFFFAOYSA-N -1 0 343.299 2.091 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccn1 ZINC000833125067 600916325 /nfs/dbraw/zinc/91/63/25/600916325.db2.gz GTVHHKCMDHSUFJ-CQSZACIVSA-N -1 0 340.295 2.027 20 5 EEBDRM CC(C)Cn1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC000826917646 600930060 /nfs/dbraw/zinc/93/00/60/600930060.db2.gz GIEAYALQEAVKRB-UHFFFAOYSA-N -1 0 332.316 2.398 20 5 EEBDRM CCCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000829347746 601405067 /nfs/dbraw/zinc/40/50/67/601405067.db2.gz LVXKHLUYHRSOES-LBPRGKRZSA-N -1 0 344.389 2.215 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000833234530 601513863 /nfs/dbraw/zinc/51/38/63/601513863.db2.gz KHRGCPRWOGLRPQ-UHFFFAOYSA-N -1 0 343.339 2.036 20 5 EEBDRM Nc1c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc(F)cc1[N+](=O)[O-] ZINC000833089984 601877739 /nfs/dbraw/zinc/87/77/39/601877739.db2.gz KJYJJOLYORLRFU-UHFFFAOYSA-N -1 0 337.238 2.406 20 5 EEBDRM COC(C)(C)CN(C)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000831487686 602161183 /nfs/dbraw/zinc/16/11/83/602161183.db2.gz KVZCATFTUDABSI-UHFFFAOYSA-N -1 0 327.293 2.062 20 5 EEBDRM CCCC(=O)NC1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000829177327 602313571 /nfs/dbraw/zinc/31/35/71/602313571.db2.gz QDCXVWXPTFADBU-UHFFFAOYSA-N -1 0 349.387 2.487 20 5 EEBDRM O=C([O-])c1cc(C(=O)O[C@H]2Cc3ccccc3C2=O)cc([N+](=O)[O-])c1 ZINC000833297872 604424988 /nfs/dbraw/zinc/42/49/88/604424988.db2.gz KYHMWSHBVSHXRM-AWEZNQCLSA-N -1 0 341.275 2.257 20 5 EEBDRM COc1cc(F)cc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000833728277 604707928 /nfs/dbraw/zinc/70/79/28/604707928.db2.gz BRFYXAQBACANGN-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121745934 676909514 /nfs/dbraw/zinc/90/95/14/676909514.db2.gz BIUWKPRFNGNWCH-UHFFFAOYSA-N -1 0 334.353 2.330 20 5 EEBDRM O=C(/C=C\c1cccs1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000255719392 679827307 /nfs/dbraw/zinc/82/73/07/679827307.db2.gz UDWITBLHVFBGQC-FPLPWBNLSA-N -1 0 338.366 2.175 20 5 EEBDRM Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000007357265 685170013 /nfs/dbraw/zinc/17/00/13/685170013.db2.gz KWPWQTQYFIIVKL-UHFFFAOYSA-N -1 0 329.284 2.256 20 5 EEBDRM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)[N-]OC/C=C/Cl ZINC000812408111 1200708029 /nfs/dbraw/zinc/70/80/29/1200708029.db2.gz GLSFMRFRPAMIQF-QHHAFSJGSA-N -1 0 337.719 2.322 20 5 EEBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2ccc(C3OCCO3)cc2)no1 ZINC001212892922 1214379713 /nfs/dbraw/zinc/37/97/13/1214379713.db2.gz CMXMKJSHNMBEBE-UHFFFAOYSA-N -1 0 329.272 2.080 20 5 EEBDRM CCCC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000780456163 1286133673 /nfs/dbraw/zinc/13/36/73/1286133673.db2.gz AHRQGHBNRFYZLE-LBPRGKRZSA-N -1 0 339.348 2.046 20 5 EEBDRM O=c1ncc(F)c(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n-]1 ZINC001225883075 1301187171 /nfs/dbraw/zinc/18/71/71/1301187171.db2.gz YHWOQXZHQARDEQ-UHFFFAOYSA-N -1 0 334.307 2.277 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(OC2CCC(C(C)C)CC2)c1[N+](=O)[O-] ZINC001226653493 1301495665 /nfs/dbraw/zinc/49/56/65/1301495665.db2.gz VZDUOXKGOYJLSQ-UHFFFAOYSA-N -1 0 339.348 2.471 20 5 EEBDRM CC[C@H](C)C[C@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226653059 1301495744 /nfs/dbraw/zinc/49/57/44/1301495744.db2.gz QJWPYNNDOTWUFH-IUCAKERBSA-N -1 0 327.337 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2C[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001226653799 1301495807 /nfs/dbraw/zinc/49/58/07/1301495807.db2.gz ZOUSVTDWISDMFJ-HRDYMLBCSA-N -1 0 325.321 2.081 20 5 EEBDRM COC(=O)[C@@H]1CCC[C@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228604401 1302334576 /nfs/dbraw/zinc/33/45/76/1302334576.db2.gz RKSVUJSOPOLMER-ZJUUUORDSA-N -1 0 337.332 2.078 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C)C2CCOCC2)cc1[O-] ZINC001228809826 1302460003 /nfs/dbraw/zinc/46/00/03/1302460003.db2.gz HVCRGLHFOGLPMN-SECBINFHSA-N -1 0 325.317 2.281 20 5 EEBDRM C[C@H](Oc1nc(Cl)nc(=O)[n-]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001230241884 1303124733 /nfs/dbraw/zinc/12/47/33/1303124733.db2.gz RHORJQXMOYEXRI-YFKPBYRVSA-N -1 0 340.679 2.008 20 5 EEBDRM O=C(N[C@@H](CCO)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000799802690 1305440683 /nfs/dbraw/zinc/44/06/83/1305440683.db2.gz UHUHBMKWKQDLPV-ZDUSSCGKSA-N -1 0 330.340 2.024 20 5 EEBDRM O=C(NC[C@@H]1CCCN1CC(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000830973113 1314562267 /nfs/dbraw/zinc/56/22/67/1314562267.db2.gz KFSVPQUEARRPQL-JTQLQIEISA-N -1 0 347.293 2.057 20 5 EEBDRM CCn1nc(C)c(CC(=O)OCc2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000837742111 1315107824 /nfs/dbraw/zinc/10/78/24/1315107824.db2.gz WUKLMYFHFCYWQW-UHFFFAOYSA-N -1 0 333.344 2.420 20 5 EEBDRM CCC/C=C/C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842404914 1315698534 /nfs/dbraw/zinc/69/85/34/1315698534.db2.gz BKUAOJUIBYHPOZ-WEVVVXLNSA-N -1 0 326.374 2.206 20 5 EEBDRM COC(=O)c1nn(-c2ccc([O-])c([N+](=O)[O-])c2)c2ccc(N)cc12 ZINC001210397619 1325265198 /nfs/dbraw/zinc/26/51/98/1325265198.db2.gz DIQLTHIOSYISTN-UHFFFAOYSA-N -1 0 328.284 2.008 20 5 EEBDRM Cc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(N(C)C)n1 ZINC001600456160 1350056596 /nfs/dbraw/zinc/05/65/96/1350056596.db2.gz ROKHUXDZJWGLQL-UHFFFAOYSA-N -1 0 344.327 2.315 20 5 EEBDRM Cc1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC001600457793 1350056806 /nfs/dbraw/zinc/05/68/06/1350056806.db2.gz VFSUQYHORSFTIH-UHFFFAOYSA-N -1 0 330.300 2.139 20 5 EEBDRM Nc1c(Cl)cc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC001601209974 1350231681 /nfs/dbraw/zinc/23/16/81/1350231681.db2.gz BZSLYHANLHZULJ-VIFPVBQESA-N -1 0 341.751 2.061 20 5 EEBDRM CC(C)(C)C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)[O-] ZINC001603328183 1350688631 /nfs/dbraw/zinc/68/86/31/1350688631.db2.gz XJXNLRWGOTZFHS-NSHDSACASA-N -1 0 342.323 2.118 20 5 EEBDRM O=C([O-])[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001608543383 1351712902 /nfs/dbraw/zinc/71/29/02/1351712902.db2.gz LIZJLAUJJSQOFH-PWSUYJOCSA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])[C@@H](c1ccsc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001608562130 1351716282 /nfs/dbraw/zinc/71/62/82/1351716282.db2.gz NGPFCYOLIPLXTQ-BXUZGUMPSA-N -1 0 348.384 2.363 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC001607709003 1351543799 /nfs/dbraw/zinc/54/37/99/1351543799.db2.gz RBTMFSOYKQHQQC-UHFFFAOYSA-N -1 0 345.311 2.038 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)ccc1[O-] ZINC001309202934 1331621316 /nfs/dbraw/zinc/62/13/16/1331621316.db2.gz WNZGJLODUXPNCI-GXTWGEPZSA-N -1 0 348.380 2.210 20 5 EEBDRM O=C([O-])COc1ccc(CNc2ccccc2CO)cc1[N+](=O)[O-] ZINC001608760196 1351756849 /nfs/dbraw/zinc/75/68/49/1351756849.db2.gz RKDBLWQSINQEKX-UHFFFAOYSA-N -1 0 332.312 2.163 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@@H](c3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC001608835748 1351774995 /nfs/dbraw/zinc/77/49/95/1351774995.db2.gz UPLCCKAYNZLWAV-GFCCVEGCSA-N -1 0 341.323 2.318 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC001608914137 1351792966 /nfs/dbraw/zinc/79/29/66/1351792966.db2.gz BMKVBPBFDNSAEE-BXKDBHETSA-N -1 0 348.277 2.038 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CNc2ccc3c(c2)C(=O)NCC3)c1 ZINC001608914862 1351793256 /nfs/dbraw/zinc/79/32/56/1351793256.db2.gz NLLIRKRRNBAKNX-UHFFFAOYSA-N -1 0 341.323 2.191 20 5 EEBDRM O=C([O-])c1ccc2c(c1)ncn(Cc1ccc([N+](=O)[O-])cc1F)c2=O ZINC001608918506 1351794396 /nfs/dbraw/zinc/79/43/96/1351794396.db2.gz QHSLUTHSHDNMJJ-UHFFFAOYSA-N -1 0 343.270 2.190 20 5 EEBDRM O=C([O-])c1cccc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1 ZINC001608933720 1351797933 /nfs/dbraw/zinc/79/79/33/1351797933.db2.gz YIESSKSTHGBRQN-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM O=C([O-])c1cccc(OCCOc2ccc([N+](=O)[O-])c(CO)c2)c1 ZINC001608937184 1351798521 /nfs/dbraw/zinc/79/85/21/1351798521.db2.gz IZGSPMYHMBQAAA-UHFFFAOYSA-N -1 0 333.296 2.243 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320368252 1332869641 /nfs/dbraw/zinc/86/96/41/1332869641.db2.gz XSFMRZOMNMPWRJ-UHFFFAOYSA-N -1 0 329.268 2.365 20 5 EEBDRM CC(C)(CCC(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-])[N+](=O)[O-] ZINC001609674386 1352055582 /nfs/dbraw/zinc/05/55/82/1352055582.db2.gz UVTXARPSZBXYBZ-LBPRGKRZSA-N -1 0 327.308 2.200 20 5 EEBDRM CC(C)C(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C(C)C ZINC001609686985 1352059769 /nfs/dbraw/zinc/05/97/69/1352059769.db2.gz NEDBSHTULSGKPD-UHFFFAOYSA-N -1 0 344.389 2.252 20 5 EEBDRM CSC[C@@H]1CCCN1c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C ZINC001339824614 1337078666 /nfs/dbraw/zinc/07/86/66/1337078666.db2.gz HJECQQPTOYORRH-JTQLQIEISA-N -1 0 349.416 2.428 20 5 EEBDRM CC[C@](C)(NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001609895869 1352113750 /nfs/dbraw/zinc/11/37/50/1352113750.db2.gz PDLLDSDLSYKCJY-CLAHSXSESA-N -1 0 344.751 2.385 20 5 EEBDRM CC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001344438292 1337393534 /nfs/dbraw/zinc/39/35/34/1337393534.db2.gz NERUIZODRKWLEV-GWCFXTLKSA-N -1 0 326.374 2.226 20 5 EEBDRM CCN(CCc1ccccn1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610002202 1352137919 /nfs/dbraw/zinc/13/79/19/1352137919.db2.gz WOKIZMKRDZERHV-UHFFFAOYSA-N -1 0 343.339 2.393 20 5 EEBDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001347690165 1337518752 /nfs/dbraw/zinc/51/87/52/1337518752.db2.gz JDCFDVXMHRBZBI-UHFFFAOYSA-N -1 0 326.374 2.226 20 5 EEBDRM CN1CCO[C@@H](CSc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001610137592 1352171643 /nfs/dbraw/zinc/17/16/43/1352171643.db2.gz SFJGTDVJIYDLPE-KTLBGCOUSA-N -1 0 338.385 2.115 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)Cc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC001610675060 1352259586 /nfs/dbraw/zinc/25/95/86/1352259586.db2.gz UQDYCUFGJLAGRZ-UHFFFAOYSA-N -1 0 346.251 2.349 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001610750629 1352268652 /nfs/dbraw/zinc/26/86/52/1352268652.db2.gz BFPUDKLVTQLMOM-LLVKDONJSA-N -1 0 328.271 2.056 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])c[nH]1 ZINC001610817294 1352279646 /nfs/dbraw/zinc/27/96/46/1352279646.db2.gz DRWRFISDIBJQKD-UHFFFAOYSA-N -1 0 346.704 2.042 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCCn2ccnn2)cc1Cl ZINC001610817783 1352279887 /nfs/dbraw/zinc/27/98/87/1352279887.db2.gz VZDQVPUDZOGZJK-UHFFFAOYSA-N -1 0 325.712 2.040 20 5 EEBDRM C[C@@H](C(=O)c1cccc(Cl)c1)n1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1 ZINC001589033020 1348953779 /nfs/dbraw/zinc/95/37/79/1348953779.db2.gz UBOROGCWMQPKEO-ZETCQYMHSA-N -1 0 347.722 2.069 20 5 EEBDRM C[C@@H](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1)C(=O)[O-] ZINC001592872618 1349721121 /nfs/dbraw/zinc/72/11/21/1349721121.db2.gz LGOHDHITZJGVPD-JTQLQIEISA-N -1 0 331.328 2.449 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001600020972 1349956742 /nfs/dbraw/zinc/95/67/42/1349956742.db2.gz IFOWNIVYUHCRBP-UHFFFAOYSA-N -1 0 333.275 2.066 20 5 EEBDRM Cc1c(NC(=O)Cn2cc(C3CC3)cn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600035737 1349959429 /nfs/dbraw/zinc/95/94/29/1349959429.db2.gz WBNSNDHUJPHXHP-UHFFFAOYSA-N -1 0 344.327 2.314 20 5 EEBDRM Cc1c(NC(=O)N[C@@]2(C)CCO[C@@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039144 1349960156 /nfs/dbraw/zinc/96/01/56/1349960156.db2.gz IJEQOTZSOMNDAV-PSLIRLAXSA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1c(NC(=O)NC[C@@H](O)CC(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041324 1349960466 /nfs/dbraw/zinc/96/04/66/1349960466.db2.gz YBJGGXGVEYKRMZ-NSHDSACASA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1c(NC(=O)NC[C@@]2(C)CCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600042459 1349960645 /nfs/dbraw/zinc/96/06/45/1349960645.db2.gz HOBWLSKJXPIXMH-OAHLLOKOSA-N -1 0 337.332 2.150 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Sc2nnc(C(C)C)n2C)n1 ZINC001600106170 1349972139 /nfs/dbraw/zinc/97/21/39/1349972139.db2.gz DIBBZXUPKUGOME-UHFFFAOYSA-N -1 0 337.361 2.400 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])oc1C(=O)[O-] ZINC001600301182 1350014767 /nfs/dbraw/zinc/01/47/67/1350014767.db2.gz YTSZMNKCFRZWBZ-UHFFFAOYSA-N -1 0 345.260 2.101 20 5 EEBDRM Cc1cccc(CN(C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001600531209 1350074539 /nfs/dbraw/zinc/07/45/39/1350074539.db2.gz GMFJYQZKUBDAHW-UHFFFAOYSA-N -1 0 345.355 2.394 20 5 EEBDRM Cc1ncccc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001600751462 1350128277 /nfs/dbraw/zinc/12/82/77/1350128277.db2.gz GTZGXTMIXMNTCI-MRXNPFEDSA-N -1 0 329.312 2.028 20 5 EEBDRM Cc1nn(C)c(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1C(=O)[O-] ZINC001600773418 1350132902 /nfs/dbraw/zinc/13/29/02/1350132902.db2.gz SJEJLMXUSHXVQT-VXGBXAGGSA-N -1 0 344.327 2.077 20 5 EEBDRM Cc1n[nH]c(=O)c(CNc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])c1C ZINC001600799471 1350139995 /nfs/dbraw/zinc/13/99/95/1350139995.db2.gz UPWBBPNBRUFCQL-XQRVVYSFSA-N -1 0 344.327 2.417 20 5 EEBDRM Cc1oc(C)c(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c1C(=O)[O-] ZINC001600838452 1350148704 /nfs/dbraw/zinc/14/87/04/1350148704.db2.gz LQCGSXNFAXRAEC-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM Cn1c(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC001600898152 1350162257 /nfs/dbraw/zinc/16/22/57/1350162257.db2.gz IQQPXSPRQUKPSE-JSGCOSHPSA-N -1 0 343.339 2.364 20 5 EEBDRM NC(=O)C1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001601141545 1350219930 /nfs/dbraw/zinc/21/99/30/1350219930.db2.gz BBJDTROLGJXJEW-UHFFFAOYSA-N -1 0 341.751 2.402 20 5 EEBDRM Nc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001601216644 1350234150 /nfs/dbraw/zinc/23/41/50/1350234150.db2.gz KSBDIBSYVPNORA-UHFFFAOYSA-N -1 0 330.300 2.448 20 5 EEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001601240558 1350239708 /nfs/dbraw/zinc/23/97/08/1350239708.db2.gz OEGVOEGMPLYXCM-BARXUBONSA-N -1 0 330.340 2.224 20 5 EEBDRM O=C([O-])c1sccc1NC(=O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001601319696 1350256668 /nfs/dbraw/zinc/25/66/68/1350256668.db2.gz ZXZYUZOFCVDTCG-UHFFFAOYSA-N -1 0 347.352 2.309 20 5 EEBDRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001601408307 1350277868 /nfs/dbraw/zinc/27/78/68/1350277868.db2.gz GEZHNIICYZPICA-KOLCDFICSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001601578073 1350311328 /nfs/dbraw/zinc/31/13/28/1350311328.db2.gz GOVVICZEBQEQHO-LOKLDPHHSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])[C@H](CNc1ncc([N+](=O)[O-])cc1F)Oc1ccc(F)cc1 ZINC001601655168 1350329247 /nfs/dbraw/zinc/32/92/47/1350329247.db2.gz JISWDPMKTUOHHB-LBPRGKRZSA-N -1 0 339.254 2.212 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001601862816 1350384275 /nfs/dbraw/zinc/38/42/75/1350384275.db2.gz RFPYURURMIXTRI-FKGLVLAHSA-N -1 0 345.355 2.119 20 5 EEBDRM O=C([O-])CCN1CCC[C@@H](Sc2ccc([N+](=O)[O-])cc2F)C1=O ZINC001602014085 1350419553 /nfs/dbraw/zinc/41/95/53/1350419553.db2.gz WXJGSTOBXJHEIN-GFCCVEGCSA-N -1 0 342.348 2.292 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001602212422 1350467445 /nfs/dbraw/zinc/46/74/45/1350467445.db2.gz QERPJCZFHDYVHC-GFCCVEGCSA-N -1 0 326.736 2.256 20 5 EEBDRM O=C([O-])c1cc(C2CN(c3ccc4cnccc4c3[N+](=O)[O-])C2)[nH]n1 ZINC001602254688 1350478831 /nfs/dbraw/zinc/47/88/31/1350478831.db2.gz KDXKDOZUOZITHH-UHFFFAOYSA-N -1 0 339.311 2.168 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2ncc3n2CCCC3)cc1[N+](=O)[O-] ZINC001602387347 1350508365 /nfs/dbraw/zinc/50/83/65/1350508365.db2.gz ZUVLXSDGAUCNSE-UHFFFAOYSA-N -1 0 331.284 2.045 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2OCCc3ccccc32)n1 ZINC001602404813 1350511839 /nfs/dbraw/zinc/51/18/39/1350511839.db2.gz AYUVYGYGFQARRA-CQSZACIVSA-N -1 0 329.312 2.414 20 5 EEBDRM O=C([O-])c1cccc(C(=O)COc2ccc([N+](=O)[O-])c(CO)c2)c1 ZINC001602431510 1350518148 /nfs/dbraw/zinc/51/81/48/1350518148.db2.gz JPBGKDYKSFYEND-UHFFFAOYSA-N -1 0 331.280 2.047 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2ccc3cccnc3n2)cc1[N+](=O)[O-] ZINC001602621316 1350559660 /nfs/dbraw/zinc/55/96/60/1350559660.db2.gz LZOKUBKWRCTCNF-UHFFFAOYSA-N -1 0 339.263 2.455 20 5 EEBDRM CC(C)[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001603743335 1350756761 /nfs/dbraw/zinc/75/67/61/1350756761.db2.gz IHEYGAIUKUZCAW-AWEZNQCLSA-N -1 0 336.344 2.461 20 5 EEBDRM CC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H](C)C(=O)[O-] ZINC001605116501 1351080830 /nfs/dbraw/zinc/08/08/30/1351080830.db2.gz OGJYNBGHDZFKEV-LDYMZIIASA-N -1 0 339.300 2.022 20 5 EEBDRM CCCN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC001605298840 1351129207 /nfs/dbraw/zinc/12/92/07/1351129207.db2.gz WOUITYYGUVHLLU-SNVBAGLBSA-N -1 0 326.324 2.378 20 5 EEBDRM CCOc1cc(COC(=O)c2cc(C(=O)[O-])no2)ccc1[N+](=O)[O-] ZINC001605672346 1351214631 /nfs/dbraw/zinc/21/46/31/1351214631.db2.gz UDQBXUDIOXNRQE-UHFFFAOYSA-N -1 0 336.256 2.037 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC001605881504 1351245462 /nfs/dbraw/zinc/24/54/62/1351245462.db2.gz OBXQOYDEGVSFOM-UHFFFAOYSA-N -1 0 349.299 2.242 20 5 EEBDRM CNc1c(C(=O)NCc2cc(C)c(C(=O)[O-])o2)cccc1[N+](=O)[O-] ZINC001606308725 1351291620 /nfs/dbraw/zinc/29/16/20/1351291620.db2.gz OIXNJQPTMNTOST-UHFFFAOYSA-N -1 0 333.300 2.166 20 5 EEBDRM COC(=O)[C@@H]1C[C@H](F)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001606511584 1351313897 /nfs/dbraw/zinc/31/38/97/1351313897.db2.gz PULQHDKBNPAFJC-RCOVLWMOSA-N -1 0 346.698 2.036 20 5 EEBDRM COc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1C(=O)[O-] ZINC001607178940 1351443811 /nfs/dbraw/zinc/44/38/11/1351443811.db2.gz DYNKZOXQAKZMAF-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001607191064 1351446126 /nfs/dbraw/zinc/44/61/26/1351446126.db2.gz FMOSORFZFQUQRP-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM COc1ccc(C)nc1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001607236843 1351456437 /nfs/dbraw/zinc/45/64/37/1351456437.db2.gz YJHPRWPBVQYOSV-UHFFFAOYSA-N -1 0 347.327 2.382 20 5 EEBDRM Cc1c(NC(=O)N2CC[C@H]3COC[C@@H]3C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607545063 1351513731 /nfs/dbraw/zinc/51/37/31/1351513731.db2.gz QZUGVHCXCQRTGN-JQWIXIFHSA-N -1 0 349.343 2.102 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](c3cccnc3)C2)n1 ZINC001607589465 1351520594 /nfs/dbraw/zinc/52/05/94/1351520594.db2.gz XXNHMCALPDVLOQ-GFCCVEGCSA-N -1 0 328.328 2.385 20 5 EEBDRM O=C([O-])c1cnc(NCCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001608310808 1351668289 /nfs/dbraw/zinc/66/82/89/1351668289.db2.gz BOKAZNZVWWEPGE-UHFFFAOYSA-N -1 0 330.300 2.129 20 5 EEBDRM O=C([O-])c1nn(CC(=O)c2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC001608377381 1351681941 /nfs/dbraw/zinc/68/19/41/1351681941.db2.gz VGXMAAJILSQZDU-UHFFFAOYSA-N -1 0 327.655 2.165 20 5 EEBDRM COc1ccccc1CO[N-]C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000799090038 1371627979 /nfs/dbraw/zinc/62/79/79/1371627979.db2.gz DZLFPXCFFOVWHR-UHFFFAOYSA-N -1 0 345.355 2.288 20 5 EEBDRM Cn1cc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)cn1 ZINC001117350108 1371750613 /nfs/dbraw/zinc/75/06/13/1371750613.db2.gz HPIVWIMXGSMXRV-QPJJXVBHSA-N -1 0 339.311 2.367 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1F ZINC000112160649 775418648 /nfs/dbraw/zinc/41/86/48/775418648.db2.gz GFMKVWHXCINQLA-UHFFFAOYSA-N -1 0 344.345 2.223 20 5 EEBDRM O=C(/C=C/c1cccs1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160822 775442275 /nfs/dbraw/zinc/44/22/75/775442275.db2.gz CXYVSEVYJIGTEZ-ONEGZZNKSA-N -1 0 344.395 2.236 20 5 EEBDRM Cc1n[nH]c(C(=O)NCC2(Nc3ccc(C)cc3[N+](=O)[O-])CC2)c1[O-] ZINC001110108557 788242845 /nfs/dbraw/zinc/24/28/45/788242845.db2.gz YSFHHUZJEJALAF-UHFFFAOYSA-N -1 0 345.359 2.015 20 5 EEBDRM CCC(=O)c1ccc(N2CC[C@@](COC)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000844219134 788907395 /nfs/dbraw/zinc/90/73/95/788907395.db2.gz RRYBDARCVGJHNL-MRXNPFEDSA-N -1 0 336.344 2.115 20 5 EEBDRM C[C@@](O)(CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC000844209493 788928552 /nfs/dbraw/zinc/92/85/52/788928552.db2.gz FZXBTGYWCDKIEE-MRXNPFEDSA-N -1 0 331.328 2.398 20 5 EEBDRM CCOc1cccc(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000844213444 788932321 /nfs/dbraw/zinc/93/23/21/788932321.db2.gz YFFXYBUDNGKJGO-UHFFFAOYSA-N -1 0 332.316 2.136 20 5 EEBDRM Nc1ccc(N2CCN(c3ccc(C(=O)[O-])s3)CC2)c([N+](=O)[O-])c1 ZINC000844216854 788935533 /nfs/dbraw/zinc/93/55/33/788935533.db2.gz AOVOTIMFMBOUQZ-UHFFFAOYSA-N -1 0 348.384 2.263 20 5 EEBDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000055572225 789197893 /nfs/dbraw/zinc/19/78/93/789197893.db2.gz OLNTUIMQPUDXPH-UHFFFAOYSA-N -1 0 325.321 2.425 20 5 EEBDRM CC/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000170939871 791156421 /nfs/dbraw/zinc/15/64/21/791156421.db2.gz GZTRJKOIBLWUMX-XBXARRHUSA-N -1 0 332.765 2.409 20 5 EEBDRM COc1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1[N+](=O)[O-] ZINC001176363614 798441256 /nfs/dbraw/zinc/44/12/56/798441256.db2.gz VBYOCHKCKWSRLL-UHFFFAOYSA-N -1 0 338.341 2.456 20 5 EEBDRM O=Nc1c(=O)[nH]c(=S)[nH]c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176671919 798522991 /nfs/dbraw/zinc/52/29/91/798522991.db2.gz FCPILPDKELHKHA-UHFFFAOYSA-N -1 0 337.273 2.219 20 5 EEBDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000791811793 809429694 /nfs/dbraw/zinc/42/96/94/809429694.db2.gz XKKAQZGZOSBZFE-UHFFFAOYSA-N -1 0 344.389 2.160 20 5 EEBDRM CC[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165218245 949422039 /nfs/dbraw/zinc/42/20/39/949422039.db2.gz MNESBPWTEZFUMZ-ZETCQYMHSA-N -1 0 345.149 2.198 20 5 EEBDRM CCCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001589667806 949915389 /nfs/dbraw/zinc/91/53/89/949915389.db2.gz VTEOEBRVLPYRPM-VIFPVBQESA-N -1 0 343.767 2.372 20 5 EEBDRM O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CO1 ZINC001595003504 951166667 /nfs/dbraw/zinc/16/66/67/951166667.db2.gz GBKRMZVAUXALHX-DTWKUNHWSA-N -1 0 342.735 2.457 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccccc1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC001595161020 952195525 /nfs/dbraw/zinc/19/55/25/952195525.db2.gz GPLWPDMQSYEAAJ-GFCCVEGCSA-N -1 0 326.312 2.350 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001594803666 953760801 /nfs/dbraw/zinc/76/08/01/953760801.db2.gz BUCMTMLIBHBYJO-UHFFFAOYSA-N -1 0 325.296 2.499 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC001589347618 954059402 /nfs/dbraw/zinc/05/94/02/954059402.db2.gz FGWDPIREIVFCSN-CBAPKCEASA-N -1 0 341.751 2.013 20 5 EEBDRM O=C([O-])C1(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC001594864636 954310986 /nfs/dbraw/zinc/31/09/86/954310986.db2.gz INZMBLNYKTWPKZ-UHFFFAOYSA-N -1 0 346.343 2.122 20 5 EEBDRM CN(Cc1c(C(=O)[O-])cnn1C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001593756038 954454632 /nfs/dbraw/zinc/45/46/32/954454632.db2.gz YSYOCHHHWJMFKN-UHFFFAOYSA-N -1 0 338.751 2.312 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001589186762 956559554 /nfs/dbraw/zinc/55/95/54/956559554.db2.gz CIVPXNRGTXXUKN-HNNXBMFYSA-N -1 0 332.316 2.084 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001573767944 960632888 /nfs/dbraw/zinc/63/28/88/960632888.db2.gz HHRFDNHOIQDZCV-LBPRGKRZSA-N -1 0 331.328 2.265 20 5 EEBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC001573820392 960948526 /nfs/dbraw/zinc/94/85/26/960948526.db2.gz KNYSRAJKQFHENQ-OAHLLOKOSA-N -1 0 339.323 2.033 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001588764008 961241877 /nfs/dbraw/zinc/24/18/77/961241877.db2.gz BYYUJXDITWZLLY-UHFFFAOYSA-N -1 0 329.740 2.204 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000255187150 961323400 /nfs/dbraw/zinc/32/34/00/961323400.db2.gz BNPBSJYYAHHPPZ-UHFFFAOYSA-N -1 0 329.312 2.447 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)nc1 ZINC001574539747 961946060 /nfs/dbraw/zinc/94/60/60/961946060.db2.gz VPKKFZWSGBFZQY-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)[O-] ZINC001588905163 962259310 /nfs/dbraw/zinc/25/93/10/962259310.db2.gz BHUFTSQMTPHCII-NSHDSACASA-N -1 0 341.339 2.029 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001606545395 970310708 /nfs/dbraw/zinc/31/07/08/970310708.db2.gz YCMSQCJDNFSMMZ-UONOGXRCSA-N -1 0 327.296 2.430 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001604180446 972601534 /nfs/dbraw/zinc/60/15/34/972601534.db2.gz KIWPVDMXUXYLDZ-OAHLLOKOSA-N -1 0 334.372 2.487 20 5 EEBDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001603320158 972633765 /nfs/dbraw/zinc/63/37/65/972633765.db2.gz BRWDETUAYJLCCJ-OAHLLOKOSA-N -1 0 340.763 2.408 20 5 EEBDRM Cc1cc(C(=O)[O-])cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC001605138636 972804357 /nfs/dbraw/zinc/80/43/57/972804357.db2.gz OUDKFWSHBGKOMF-UHFFFAOYSA-N -1 0 344.323 2.410 20 5 EEBDRM Cc1ccc(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001605273375 973061675 /nfs/dbraw/zinc/06/16/75/973061675.db2.gz GJTQRGVDWGRNFV-ZDUSSCGKSA-N -1 0 335.360 2.300 20 5 EEBDRM C[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001603417571 973129846 /nfs/dbraw/zinc/12/98/46/973129846.db2.gz UFRRTDYIRKENRZ-MWLCHTKSSA-N -1 0 340.763 2.360 20 5 EEBDRM CC[C@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C(=O)[O-] ZINC001603567214 973696665 /nfs/dbraw/zinc/69/66/65/973696665.db2.gz YRNMXMMQLNJDPP-SECBINFHSA-N -1 0 331.328 2.171 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001606382800 973835362 /nfs/dbraw/zinc/83/53/62/973835362.db2.gz XPQJNYJXRQWSMY-SECBINFHSA-N -1 0 346.299 2.352 20 5 EEBDRM C[C@@H](CC(=O)OC(C)(C)C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001592429368 978054057 /nfs/dbraw/zinc/05/40/57/978054057.db2.gz KAJGLSPJWXFNEQ-QMMMGPOBSA-N -1 0 325.321 2.220 20 5 EEBDRM O=C([O-])C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000864122329 979719552 /nfs/dbraw/zinc/71/95/52/979719552.db2.gz PDGVQNPLRPVLOV-CYBMUJFWSA-N -1 0 344.323 2.064 20 5 EEBDRM CC[C@H](COC)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595199164 979935711 /nfs/dbraw/zinc/93/57/11/979935711.db2.gz UUJDXFNXLAOLSV-SNVBAGLBSA-N -1 0 325.321 2.148 20 5 EEBDRM CC[C@@H](C)C[C@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C(=O)[O-] ZINC001594952660 982672066 /nfs/dbraw/zinc/67/20/66/982672066.db2.gz KYUFQBOJPYALHB-KCJUWKMLSA-N -1 0 339.348 2.386 20 5 EEBDRM CCCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC001595817387 982680866 /nfs/dbraw/zinc/68/08/66/982680866.db2.gz VHUNEZVBRVUDFF-GFCCVEGCSA-N -1 0 338.360 2.384 20 5 EEBDRM CCNc1ccc(C(=O)N2C3CCC2(C(=O)[O-])CC3)cc1[N+](=O)[O-] ZINC001596501504 984256096 /nfs/dbraw/zinc/25/60/96/984256096.db2.gz XVXSPKXXMDYAMI-UHFFFAOYSA-N -1 0 333.344 2.248 20 5 EEBDRM CCOC(=O)/C(=C\c1cc(C(=O)[O-])co1)c1ccc([N+](=O)[O-])cn1 ZINC001596509193 984269167 /nfs/dbraw/zinc/26/91/67/984269167.db2.gz COWQGASKRPXDLL-SDQBBNPISA-N -1 0 332.268 2.385 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001597249164 987231699 /nfs/dbraw/zinc/23/16/99/987231699.db2.gz HHGLIRGXRFGYKT-JLYOEYFJSA-N -1 0 341.389 2.180 20 5 EEBDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001589701067 987794326 /nfs/dbraw/zinc/79/43/26/987794326.db2.gz TWTWZSNDKSRVBQ-CYBMUJFWSA-N -1 0 338.360 2.369 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001599822021 988530839 /nfs/dbraw/zinc/53/08/39/988530839.db2.gz BGWRLWFSBGABCS-QMMMGPOBSA-N -1 0 334.300 2.155 20 5 EEBDRM CCc1nc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)sc1C(=O)[O-] ZINC001597682446 988823019 /nfs/dbraw/zinc/82/30/19/988823019.db2.gz ZUHTWTWLOQJHOT-UHFFFAOYSA-N -1 0 336.329 2.268 20 5 EEBDRM C[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001599853281 989047751 /nfs/dbraw/zinc/04/77/51/989047751.db2.gz GALYCZBTBHRLMC-MWLCHTKSSA-N -1 0 340.763 2.360 20 5 EEBDRM CCn1ccc(CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n1 ZINC001597905421 989796653 /nfs/dbraw/zinc/79/66/53/989796653.db2.gz ZUHKFJOXTSNLEZ-UHFFFAOYSA-N -1 0 347.331 2.140 20 5 EEBDRM CN(CCc1nc2ccccc2[nH]1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598504185 992478818 /nfs/dbraw/zinc/47/88/18/992478818.db2.gz VLABSECMJSEILM-UHFFFAOYSA-N -1 0 341.327 2.243 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598530716 992776931 /nfs/dbraw/zinc/77/69/31/992776931.db2.gz CQZCINHXRKSXBU-UHFFFAOYSA-N -1 0 332.272 2.233 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ncc(C(=O)[O-])s1 ZINC001593154333 993962393 /nfs/dbraw/zinc/96/23/93/993962393.db2.gz CJAVGLJXXQRFEC-ZCFIWIBFSA-N -1 0 339.304 2.380 20 5 EEBDRM C[C@](NC(=O)c1cccc([N+](=O)[O-])c1N)(C(=O)[O-])c1ccc(F)cc1 ZINC001593176270 994054344 /nfs/dbraw/zinc/05/43/44/994054344.db2.gz RJZDVVPESQUKPY-MRXNPFEDSA-N -1 0 347.302 2.046 20 5 EEBDRM COc1cccc(C(=O)N[C@H](C(=O)[O-])c2cccs2)c1[N+](=O)[O-] ZINC001599641472 994365418 /nfs/dbraw/zinc/36/54/18/994365418.db2.gz PEMXGBPPHWLQAF-NSHDSACASA-N -1 0 336.325 2.221 20 5 EEBDRM CNc1c(C(=O)NCc2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC001598676885 994860913 /nfs/dbraw/zinc/86/09/13/994860913.db2.gz DPCISHGXBWJWRM-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM COC(=O)[C@H](CC(C)(C)C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001598699971 995205709 /nfs/dbraw/zinc/20/57/09/995205709.db2.gz ZFLBZTOANGQECU-JTQLQIEISA-N -1 0 339.348 2.386 20 5 EEBDRM C[C@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)C(C)(C)C(=O)[O-] ZINC001593553989 995634947 /nfs/dbraw/zinc/63/49/47/995634947.db2.gz QNLLSYQCDJCGOT-QMMMGPOBSA-N -1 0 348.311 2.301 20 5 EEBDRM C[C@H](Oc1ccccn1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001593656001 996022571 /nfs/dbraw/zinc/02/25/71/996022571.db2.gz QCVLOUYTAAHLII-VIFPVBQESA-N -1 0 331.284 2.094 20 5 EEBDRM C[C@]1(Br)C[C@@H]1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593739870 996354783 /nfs/dbraw/zinc/35/47/83/996354783.db2.gz MBDXXUBMODCXOJ-PELKAZGASA-N -1 0 344.117 2.372 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC001599196463 997226400 /nfs/dbraw/zinc/22/64/00/997226400.db2.gz ZSOSTAHRTCEAIE-INIZCTEOSA-N -1 0 331.328 2.213 20 5 EEBDRM C[C@@H]1CN(c2nnc(-c3cccc([O-])c3[N+](=O)[O-])n2C)CC(C)(C)O1 ZINC001526325449 1120503083 /nfs/dbraw/zinc/50/30/83/1120503083.db2.gz AMLLEQSKOLHLFY-SNVBAGLBSA-N -1 0 347.375 2.100 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000013036213 299246155 /nfs/dbraw/zinc/24/61/55/299246155.db2.gz OKDFMQRCLARXIO-MNOVXSKESA-N -1 0 335.360 2.034 20 5 EEBDRM CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036333951 213084796 /nfs/dbraw/zinc/08/47/96/213084796.db2.gz YKCBOVNISDAGFY-UHFFFAOYSA-N -1 0 349.368 2.145 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000456557010 244287713 /nfs/dbraw/zinc/28/77/13/244287713.db2.gz VUBPRQSGRYHBDQ-IAQYHMDHSA-N -1 0 343.339 2.346 20 5 EEBDRM COc1cc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)ccc1[N+](=O)[O-] ZINC000262545335 245027964 /nfs/dbraw/zinc/02/79/64/245027964.db2.gz VWZHDEWCKRMEKJ-UHFFFAOYSA-N -1 0 348.311 2.475 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000263271708 245378355 /nfs/dbraw/zinc/37/83/55/245378355.db2.gz IEEYKUSQRGLPAL-SECBINFHSA-N -1 0 344.776 2.416 20 5 EEBDRM O=C(/C=C/C1CCC1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000492057556 246280264 /nfs/dbraw/zinc/28/02/64/246280264.db2.gz MLTCNXWXBFZPDN-QPJJXVBHSA-N -1 0 344.776 2.409 20 5 EEBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000261810315 256016116 /nfs/dbraw/zinc/01/61/16/256016116.db2.gz VNZCMBOHEYQNRT-LBPRGKRZSA-N -1 0 332.234 2.074 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1n1ccnc1 ZINC000097097776 296540937 /nfs/dbraw/zinc/54/09/37/296540937.db2.gz FGLHTMZVQMHLOD-BXUZGUMPSA-N -1 0 330.344 2.220 20 5 EEBDRM Cn1nccc1[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000374783961 143702464 /nfs/dbraw/zinc/70/24/64/143702464.db2.gz XDXUHVPISUGOGC-LBPRGKRZSA-N -1 0 330.344 2.054 20 5 EEBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000262537968 152289890 /nfs/dbraw/zinc/28/98/90/152289890.db2.gz QONKDFFJWJYXMH-UHFFFAOYSA-N -1 0 346.343 2.480 20 5 EEBDRM Cc1c(NC(=O)[C@H](C)N2CCC(C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000262602272 152296409 /nfs/dbraw/zinc/29/64/09/152296409.db2.gz AAQNCWMKUZADPG-NSHDSACASA-N -1 0 335.360 2.027 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263157364 152389922 /nfs/dbraw/zinc/38/99/22/152389922.db2.gz HYZLGEYYGYTDTR-ZYHUDNBSSA-N -1 0 347.371 2.494 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000089531481 159183135 /nfs/dbraw/zinc/18/31/35/159183135.db2.gz CRCPHDQDDYOTRF-JTQLQIEISA-N -1 0 333.344 2.030 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cn1 ZINC000360506935 164326072 /nfs/dbraw/zinc/32/60/72/164326072.db2.gz HTVMERQFCCXNHL-UHFFFAOYSA-N -1 0 347.356 2.160 20 5 EEBDRM Cc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000362815477 164804336 /nfs/dbraw/zinc/80/43/36/164804336.db2.gz VNVQSGULTJGRJR-INIZCTEOSA-N -1 0 342.351 2.430 20 5 EEBDRM COC(=O)[C@]12CN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C[C@H]1CCCC2 ZINC000286147216 274841810 /nfs/dbraw/zinc/84/18/10/274841810.db2.gz IABKWURKTXJLOT-PIGZYNQJSA-N -1 0 348.355 2.106 20 5 EEBDRM O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000290761173 275236904 /nfs/dbraw/zinc/23/69/04/275236904.db2.gz BCTQURPQMOQCSX-KSSFIOAISA-N -1 0 342.351 2.196 20 5 EEBDRM CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000112725645 280671713 /nfs/dbraw/zinc/67/17/13/280671713.db2.gz UQADUSNLMNMHGU-UHFFFAOYSA-N -1 0 344.371 2.356 20 5 EEBDRM CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H](c2ccccc2)C1 ZINC000184623516 290031150 /nfs/dbraw/zinc/03/11/50/290031150.db2.gz JKGUDTVNPKAZJX-INIZCTEOSA-N -1 0 341.367 2.429 20 5 EEBDRM O=C(c1c([O-])cccc1F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332473803 312012525 /nfs/dbraw/zinc/01/25/25/312012525.db2.gz UGARQWQZNHOKMV-UHFFFAOYSA-N -1 0 334.307 2.113 20 5 EEBDRM O=C([O-])CCCCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000414630066 313050845 /nfs/dbraw/zinc/05/08/45/313050845.db2.gz SLGMQEFZSHEPEU-UHFFFAOYSA-N -1 0 335.360 2.308 20 5 EEBDRM Cc1cccc(N(CCC(N)=O)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000432490988 314706941 /nfs/dbraw/zinc/70/69/41/314706941.db2.gz URAFPBMCYVJCHA-UHFFFAOYSA-N -1 0 343.339 2.131 20 5 EEBDRM COCCNc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436612616 314980423 /nfs/dbraw/zinc/98/04/23/314980423.db2.gz YHXFLAOOQKJFGI-UHFFFAOYSA-N -1 0 345.355 2.289 20 5 EEBDRM COc1ccc(OCCN(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436675740 314987185 /nfs/dbraw/zinc/98/71/85/314987185.db2.gz WUYQSPVALTUSMM-UHFFFAOYSA-N -1 0 346.339 2.460 20 5 EEBDRM CCN(CC(=O)N1CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436707578 314990474 /nfs/dbraw/zinc/99/04/74/314990474.db2.gz SOEGZUKMADOOAV-UHFFFAOYSA-N -1 0 349.387 2.165 20 5 EEBDRM COCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCCSC1 ZINC000436812412 315000662 /nfs/dbraw/zinc/00/06/62/315000662.db2.gz XEOUESGURNOJGW-LBPRGKRZSA-N -1 0 340.401 2.285 20 5 EEBDRM COCC[C@H](Cc1ccco1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436828640 315003245 /nfs/dbraw/zinc/00/32/45/315003245.db2.gz QUFOAWYIWONQEW-LLVKDONJSA-N -1 0 334.328 2.271 20 5 EEBDRM COCCOc1ccccc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436948013 315014925 /nfs/dbraw/zinc/01/49/25/315014925.db2.gz GBRGEGDVHCQMKE-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM NC(=O)CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436954823 315016055 /nfs/dbraw/zinc/01/60/55/315016055.db2.gz XWFDQNHFRZOILR-UHFFFAOYSA-N -1 0 347.352 2.130 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC000436969418 315017903 /nfs/dbraw/zinc/01/79/03/315017903.db2.gz YDENVXGDHHOBIL-GFCCVEGCSA-N -1 0 336.325 2.006 20 5 EEBDRM Cc1cc(N2CCC[C@@H](n3ccnn3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000518381646 316723047 /nfs/dbraw/zinc/72/30/47/316723047.db2.gz YDOSHIBDMLSHQK-LLVKDONJSA-N -1 0 331.332 2.034 20 5 EEBDRM O=C(Nc1cnn(-c2ccccn2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000542653958 318135143 /nfs/dbraw/zinc/13/51/43/318135143.db2.gz FEIXZLJFGXSEGS-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000542654320 318135223 /nfs/dbraw/zinc/13/52/23/318135223.db2.gz CXISBVXQXCSFGS-LBPRGKRZSA-N -1 0 348.277 2.076 20 5 EEBDRM CCN(Cc1cnn(C)c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000564333974 319079197 /nfs/dbraw/zinc/07/91/97/319079197.db2.gz KMDOGLIFNVINIL-UHFFFAOYSA-N -1 0 338.751 2.350 20 5 EEBDRM O=C([O-])CCC1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000565042569 319142735 /nfs/dbraw/zinc/14/27/35/319142735.db2.gz YLCWUURSSWEFJU-UHFFFAOYSA-N -1 0 346.343 2.325 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2c2cccnn2)c1 ZINC000565717943 319207849 /nfs/dbraw/zinc/20/78/49/319207849.db2.gz ARZFYWHHYPPGRZ-LBPRGKRZSA-N -1 0 343.343 2.164 20 5 EEBDRM CCCC[C@@H](C)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566316824 319274114 /nfs/dbraw/zinc/27/41/14/319274114.db2.gz QLCMJXHGMUKPKW-SNVBAGLBSA-N -1 0 344.389 2.492 20 5 EEBDRM O=C([O-])C[C@@H]1CSCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000566360060 319279225 /nfs/dbraw/zinc/27/92/25/319279225.db2.gz GPBZUEJYVJHSAM-SNVBAGLBSA-N -1 0 337.357 2.128 20 5 EEBDRM CC1(C)CC(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000566681476 319311303 /nfs/dbraw/zinc/31/13/03/319311303.db2.gz GHIBODMLHZRJDY-UHFFFAOYSA-N -1 0 342.373 2.008 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000569922920 319620808 /nfs/dbraw/zinc/62/08/08/319620808.db2.gz CHTKSVXNFKKPDP-LBPRGKRZSA-N -1 0 342.373 2.020 20 5 EEBDRM O=C(N[C@@H]1CC12CCOCC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578015235 320289000 /nfs/dbraw/zinc/28/90/00/320289000.db2.gz KOEZKEZLDRKXAI-LLVKDONJSA-N -1 0 326.736 2.253 20 5 EEBDRM O=C([O-])c1cnc(N2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000579014279 323759395 /nfs/dbraw/zinc/75/93/95/323759395.db2.gz QHNOZRPCORDZTH-QGZVFWFLSA-N -1 0 341.323 2.324 20 5 EEBDRM C[S@@](=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000184788377 465026450 /nfs/dbraw/zinc/02/64/50/465026450.db2.gz MNRUCDQDQQLODQ-HSZRJFAPSA-N -1 0 334.353 2.431 20 5 EEBDRM Cn1ccnc1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1(C)C ZINC000295963137 465035511 /nfs/dbraw/zinc/03/55/11/465035511.db2.gz RUJJYAJOCWWPCJ-ZDUSSCGKSA-N -1 0 330.344 2.257 20 5 EEBDRM O=C([O-])COc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000326849522 465045371 /nfs/dbraw/zinc/04/53/71/465045371.db2.gz OELJAIITCOLULT-UHFFFAOYSA-N -1 0 346.295 2.076 20 5 EEBDRM COc1cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000328219180 465057822 /nfs/dbraw/zinc/05/78/22/465057822.db2.gz UUSTYOGOTBINQI-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM Nc1nc(C2CC2)ncc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000355585549 465258790 /nfs/dbraw/zinc/25/87/90/465258790.db2.gz ODDOEDZPSNYJST-UHFFFAOYSA-N -1 0 349.734 2.456 20 5 EEBDRM COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(OC)c1 ZINC000064054774 462685919 /nfs/dbraw/zinc/68/59/19/462685919.db2.gz KPHTWWFSRPXGOJ-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM O=C(Nc1cccc(-c2cn[nH]c2)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000129118433 462690278 /nfs/dbraw/zinc/69/02/78/462690278.db2.gz UVJDXXMBPKRUSZ-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CC(C)CC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000065309778 462756273 /nfs/dbraw/zinc/75/62/73/462756273.db2.gz PVXKZXUKTORHGB-UHFFFAOYSA-N -1 0 349.387 2.067 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 ZINC000013252772 462887726 /nfs/dbraw/zinc/88/77/26/462887726.db2.gz CGVWMGPOMFYCRG-UHFFFAOYSA-N -1 0 330.252 2.274 20 5 EEBDRM Cc1cc(N2CCC(n3ccnn3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000522003389 468347248 /nfs/dbraw/zinc/34/72/48/468347248.db2.gz IRZORNUMRMNEGT-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000031669434 463350742 /nfs/dbraw/zinc/35/07/42/463350742.db2.gz NPALOOBLRKMOFG-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM CCc1[nH]nc(C(=O)[N-]c2nnc(-c3ccccn3)s2)c1[N+](=O)[O-] ZINC000170788990 463705643 /nfs/dbraw/zinc/70/56/43/463705643.db2.gz IEEZUWLJPJDZGZ-UHFFFAOYSA-N -1 0 345.344 2.046 20 5 EEBDRM Cc1nn(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000276903931 463800731 /nfs/dbraw/zinc/80/07/31/463800731.db2.gz MALUUASWOUEJRH-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM Cc1cc(C)nc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000185715615 463866552 /nfs/dbraw/zinc/86/65/52/463866552.db2.gz LCPSRECCAHNHLP-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000261913637 463897585 /nfs/dbraw/zinc/89/75/85/463897585.db2.gz HHVPWYXOQOAGGM-UHFFFAOYSA-N -1 0 342.373 2.262 20 5 EEBDRM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000279192930 464058851 /nfs/dbraw/zinc/05/88/51/464058851.db2.gz CLIJTYFPVSPNBT-SNVBAGLBSA-N -1 0 346.343 2.180 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000263545845 464126972 /nfs/dbraw/zinc/12/69/72/464126972.db2.gz GWNYOUCOMJZDTD-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])[C@H]1CC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263571683 464131146 /nfs/dbraw/zinc/13/11/46/464131146.db2.gz JRWAJPRVBFRAJQ-GJZGRUSLSA-N -1 0 348.355 2.075 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000280904563 464270121 /nfs/dbraw/zinc/27/01/21/464270121.db2.gz RIIJVDJJJDVGJG-NEPJUHHUSA-N -1 0 347.371 2.178 20 5 EEBDRM Cc1cnc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000173639003 464298504 /nfs/dbraw/zinc/29/85/04/464298504.db2.gz DFXYKCNFZYIZKJ-UHFFFAOYSA-N -1 0 347.805 2.492 20 5 EEBDRM O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1(C(=O)[O-])CCSCC1 ZINC000271893995 464403705 /nfs/dbraw/zinc/40/37/05/464403705.db2.gz PRLZHYCCPGGCII-AATRIKPKSA-N -1 0 336.369 2.075 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000294358920 464476729 /nfs/dbraw/zinc/47/67/29/464476729.db2.gz VRKGIUHKBLFHPC-OAHLLOKOSA-N -1 0 332.356 2.332 20 5 EEBDRM CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000285765551 464687296 /nfs/dbraw/zinc/68/72/96/464687296.db2.gz JCENSZAECCQDKE-LLVKDONJSA-N -1 0 341.751 2.293 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncnn1C(C)(C)C ZINC000282274522 464760156 /nfs/dbraw/zinc/76/01/56/464760156.db2.gz IOYWIFWMEZGVCW-UHFFFAOYSA-N -1 0 339.377 2.051 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c([N+](=O)[O-])n1 ZINC000339691969 465447492 /nfs/dbraw/zinc/44/74/92/465447492.db2.gz SYSCJOAEQTUBTM-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM COC(=O)c1cc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc([N+](=O)[O-])c1 ZINC000593920172 468434737 /nfs/dbraw/zinc/43/47/37/468434737.db2.gz IBZBJKBTQPMNIE-MRXNPFEDSA-N -1 0 348.311 2.131 20 5 EEBDRM COc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000362423014 465725583 /nfs/dbraw/zinc/72/55/83/465725583.db2.gz LARUKZJFMJOFPN-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s[n-]1 ZINC000338012772 465748293 /nfs/dbraw/zinc/74/82/93/465748293.db2.gz BGLXPTFQYKQCRS-ZCFIWIBFSA-N -1 0 342.764 2.481 20 5 EEBDRM CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331975475 466330199 /nfs/dbraw/zinc/33/01/99/466330199.db2.gz XEBPPGUULPXSPC-DJIMGWMZSA-N -1 0 336.388 2.316 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 ZINC000350072500 466372883 /nfs/dbraw/zinc/37/28/83/466372883.db2.gz GKWFCWRLMRZGAL-UHFFFAOYSA-N -1 0 344.279 2.317 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)s[n-]1 ZINC000338926943 466491214 /nfs/dbraw/zinc/49/12/14/466491214.db2.gz FMSCZXDRAHSHJL-SSDOTTSWSA-N -1 0 347.356 2.309 20 5 EEBDRM Cc1ccccc1CN(C)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000320926633 466615843 /nfs/dbraw/zinc/61/58/43/466615843.db2.gz WAVIQUXZRJDDNY-UHFFFAOYSA-N -1 0 336.369 2.430 20 5 EEBDRM O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427922276 467186166 /nfs/dbraw/zinc/18/61/66/467186166.db2.gz AXOYVCUMLUSUPJ-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM COC(=O)Cc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436639500 467548375 /nfs/dbraw/zinc/54/83/75/467548375.db2.gz PRYNNJUPLIUMSD-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436753507 467553818 /nfs/dbraw/zinc/55/38/18/467553818.db2.gz VPJOKYFDDJQHBK-LBPRGKRZSA-N -1 0 344.323 2.212 20 5 EEBDRM COCCOc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436777641 467554397 /nfs/dbraw/zinc/55/43/97/467554397.db2.gz ZTNLGBULJJZTTA-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)C=Cc2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000492805234 467758890 /nfs/dbraw/zinc/75/88/90/467758890.db2.gz JACZGNQJZYSMBR-ATJFRQLMSA-N -1 0 334.357 2.228 20 5 EEBDRM COC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000582302636 468519896 /nfs/dbraw/zinc/51/98/96/468519896.db2.gz CJMPPMDQVOGCCR-SNVBAGLBSA-N -1 0 342.735 2.122 20 5 EEBDRM CCOC(=O)c1cc(N2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000600800573 468661266 /nfs/dbraw/zinc/66/12/66/468661266.db2.gz MPEUGMBPXYBFFK-ZYHUDNBSSA-N -1 0 336.344 2.319 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@@H](OC)C(C)C ZINC000592353339 468681627 /nfs/dbraw/zinc/68/16/27/468681627.db2.gz QMTKYFHPYQGPML-CQSZACIVSA-N -1 0 346.405 2.406 20 5 EEBDRM O=C([O-])[C@H]1CSCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570827642 468701057 /nfs/dbraw/zinc/70/10/57/468701057.db2.gz UNSKWSYQGHWJQU-CYBMUJFWSA-N -1 0 349.368 2.252 20 5 EEBDRM O=C([O-])c1cc(NCCc2cn3c(n2)CCCC3)ccc1[N+](=O)[O-] ZINC000570931033 468716270 /nfs/dbraw/zinc/71/62/70/468716270.db2.gz BMLPQROOWDJWBL-UHFFFAOYSA-N -1 0 330.344 2.480 20 5 EEBDRM Cc1cc(N2CC[C@H](c3nccn3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583633496 468732627 /nfs/dbraw/zinc/73/26/27/468732627.db2.gz HRJBQUDWTPYTBB-NSHDSACASA-N -1 0 330.344 2.329 20 5 EEBDRM CCN(C[C@@H]1CCOC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592753182 468776092 /nfs/dbraw/zinc/77/60/92/468776092.db2.gz HTFRJZIADWWJLU-VIFPVBQESA-N -1 0 328.752 2.452 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](C)Oc2ccc(F)cc2)n1 ZINC000584055793 468794084 /nfs/dbraw/zinc/79/40/84/468794084.db2.gz RKLOAYFLKLWZQW-JTQLQIEISA-N -1 0 349.318 3.015 20 5 EEBDRM O=C([O-])c1ccnc(N2CC[C@@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595280621 468799240 /nfs/dbraw/zinc/79/92/40/468799240.db2.gz QAUDUYJAXRQQGM-GFCCVEGCSA-N -1 0 329.312 2.346 20 5 EEBDRM CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000595283402 468800391 /nfs/dbraw/zinc/80/03/91/468800391.db2.gz UOYZXHYWMMOOFT-SSDOTTSWSA-N -1 0 345.149 2.293 20 5 EEBDRM CO[C@H]1C[C@H](C(=O)[O-])N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000584236851 468826746 /nfs/dbraw/zinc/82/67/46/468826746.db2.gz AUGYMJXLRVOOBO-CMPLNLGQSA-N -1 0 348.277 2.288 20 5 EEBDRM CCN(Cc1ccc2c(c1)OCO2)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592967123 468830350 /nfs/dbraw/zinc/83/03/50/468830350.db2.gz OBQPVIGMBZYKKO-UHFFFAOYSA-N -1 0 345.311 2.443 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCOc3ccccc32)n1 ZINC000592970876 468831269 /nfs/dbraw/zinc/83/12/69/468831269.db2.gz KVHDQQXOCVXTLA-LLVKDONJSA-N -1 0 343.339 2.975 20 5 EEBDRM CCc1nn(C)c(NCCc2ccc(C(=O)[O-])cc2OC)c1[N+](=O)[O-] ZINC000592981345 468833752 /nfs/dbraw/zinc/83/37/52/468833752.db2.gz JZODWDHMJKRGLA-UHFFFAOYSA-N -1 0 348.359 2.252 20 5 EEBDRM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccn1C ZINC000595384142 468834375 /nfs/dbraw/zinc/83/43/75/468834375.db2.gz SKUHPPIZQASQIK-QMMMGPOBSA-N -1 0 344.780 2.021 20 5 EEBDRM CCC(C)(C)CNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593309804 468934879 /nfs/dbraw/zinc/93/48/79/468934879.db2.gz HZUNSLPFABFIQO-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM O=C([O-])CCN(CC1CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000610844279 469086807 /nfs/dbraw/zinc/08/68/07/469086807.db2.gz DQHGTDLTLYPJPV-UHFFFAOYSA-N -1 0 331.328 2.403 20 5 EEBDRM COc1ccc(CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000593697152 469099696 /nfs/dbraw/zinc/09/96/96/469099696.db2.gz ONBHPENJTVWYEE-NSHDSACASA-N -1 0 338.360 2.152 20 5 EEBDRM O=C([O-])[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CCC1 ZINC000595977419 469105103 /nfs/dbraw/zinc/10/51/03/469105103.db2.gz IKPZVJBHTKJCHX-JTQLQIEISA-N -1 0 332.316 2.156 20 5 EEBDRM O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000593741650 469119013 /nfs/dbraw/zinc/11/90/13/469119013.db2.gz DMJHUVYLCDTXOJ-QGZVFWFLSA-N -1 0 342.351 2.485 20 5 EEBDRM COCc1cc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])ccc1F ZINC000563203873 469196983 /nfs/dbraw/zinc/19/69/83/469196983.db2.gz FKTPNDIHQVDZFE-UHFFFAOYSA-N -1 0 349.318 2.894 20 5 EEBDRM CCCC[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC000598584964 485618927 /nfs/dbraw/zinc/61/89/27/485618927.db2.gz LCVAEGPBUJAJSR-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1noc([C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)n1 ZINC000130431996 534448454 /nfs/dbraw/zinc/44/84/54/534448454.db2.gz VGLJUDMLQHCMAC-SNVBAGLBSA-N -1 0 332.316 2.012 20 5 EEBDRM CCC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC000263206256 535345938 /nfs/dbraw/zinc/34/59/38/535345938.db2.gz OJRWYKNNUZJESR-JTQLQIEISA-N -1 0 331.328 2.374 20 5 EEBDRM COc1cc(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000738077083 577998568 /nfs/dbraw/zinc/99/85/68/577998568.db2.gz JRMMBQYLWNBUCK-OAHLLOKOSA-N -1 0 345.307 2.456 20 5 EEBDRM Cc1nn(CCC(=O)Oc2ccc(NC(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000738380968 578011953 /nfs/dbraw/zinc/01/19/53/578011953.db2.gz BKSINJFBXIKXDK-UHFFFAOYSA-N -1 0 348.315 2.494 20 5 EEBDRM COC[C@H]1CCCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737751194 576072885 /nfs/dbraw/zinc/07/28/85/576072885.db2.gz CUFXCCQOMCMJJG-VIFPVBQESA-N -1 0 339.304 2.064 20 5 EEBDRM CC1=C(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000747214166 576260504 /nfs/dbraw/zinc/26/05/04/576260504.db2.gz XTYNCOPYMYKMBU-UHFFFAOYSA-N -1 0 328.321 2.039 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)n2)c2ncccc12 ZINC000775201612 577432654 /nfs/dbraw/zinc/43/26/54/577432654.db2.gz MDBJFLWTTPEUBA-UHFFFAOYSA-N -1 0 348.315 2.478 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000766042345 577511652 /nfs/dbraw/zinc/51/16/52/577511652.db2.gz JBRIJANEBXMMBK-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM CC(C)CS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000763021443 577712777 /nfs/dbraw/zinc/71/27/77/577712777.db2.gz QNMXTIZTMYQYID-UHFFFAOYSA-N -1 0 346.380 2.114 20 5 EEBDRM CC(C)CCS(=O)(=O)[N-]C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000763970453 577728810 /nfs/dbraw/zinc/72/88/10/577728810.db2.gz ILHVTWZUPQAMSD-LLVKDONJSA-N -1 0 328.390 2.190 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000764038518 577730224 /nfs/dbraw/zinc/73/02/24/577730224.db2.gz SJRSVUAGBIDROR-VIFPVBQESA-N -1 0 340.382 2.265 20 5 EEBDRM Cc1ccncc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000754268160 577803529 /nfs/dbraw/zinc/80/35/29/577803529.db2.gz XMANPZRGGBAZOI-UHFFFAOYSA-N -1 0 338.301 2.007 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000744152483 577893659 /nfs/dbraw/zinc/89/36/59/577893659.db2.gz QCUKHDLOXFGYDV-SNVBAGLBSA-N -1 0 338.341 2.105 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000746306576 577925697 /nfs/dbraw/zinc/92/56/97/577925697.db2.gz MITHHRLSPFYVHZ-UHFFFAOYSA-N -1 0 345.267 2.131 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccc(C3CC3)nn2)cc([N+](=O)[O-])c1 ZINC000738672074 578023415 /nfs/dbraw/zinc/02/34/15/578023415.db2.gz CDWUAXHJKSQHMG-UHFFFAOYSA-N -1 0 328.284 2.213 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000739329359 578048718 /nfs/dbraw/zinc/04/87/18/578048718.db2.gz QZAGEKJVDBTLEW-HNNXBMFYSA-N -1 0 349.270 2.482 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000739372499 578050780 /nfs/dbraw/zinc/05/07/80/578050780.db2.gz NKJFHYFEBNXIGA-ZDUSSCGKSA-N -1 0 336.250 2.429 20 5 EEBDRM O=C([O-])NCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000739987886 578076623 /nfs/dbraw/zinc/07/66/23/578076623.db2.gz GCUARCANJFJKGL-UHFFFAOYSA-N -1 0 345.311 2.380 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000740185337 578084606 /nfs/dbraw/zinc/08/46/06/578084606.db2.gz ARPBBYHSXNGIQV-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(=O)[nH][n-]1 ZINC000735326687 578146784 /nfs/dbraw/zinc/14/67/84/578146784.db2.gz MXIMJQTUTLAQHY-UHFFFAOYSA-N -1 0 340.295 2.202 20 5 EEBDRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 ZINC000736223284 578188163 /nfs/dbraw/zinc/18/81/63/578188163.db2.gz HXLIQKFURVVHSK-UHFFFAOYSA-N -1 0 332.312 2.480 20 5 EEBDRM CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000737321831 578250342 /nfs/dbraw/zinc/25/03/42/578250342.db2.gz AMOZDNXZBMKESQ-MRXNPFEDSA-N -1 0 344.323 2.258 20 5 EEBDRM COc1cc(C(=O)N(CC(=O)[O-])c2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000737844510 578270773 /nfs/dbraw/zinc/27/07/73/578270773.db2.gz MVLQPXGMQQEZGE-UHFFFAOYSA-N -1 0 345.311 2.038 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000819159661 597272203 /nfs/dbraw/zinc/27/22/03/597272203.db2.gz WIJHKOQWKHVBSV-HNNXBMFYSA-N -1 0 348.286 2.055 20 5 EEBDRM O=C([O-])C1(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000237932743 597421113 /nfs/dbraw/zinc/42/11/13/597421113.db2.gz PYZPDBLBIHWOJM-UHFFFAOYSA-N -1 0 331.328 2.132 20 5 EEBDRM CCOc1ccc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000262272856 599922430 /nfs/dbraw/zinc/92/24/30/599922430.db2.gz YGSTZXRJKHJXAW-SNVBAGLBSA-N -1 0 336.344 2.319 20 5 EEBDRM CCOc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262036903 600049339 /nfs/dbraw/zinc/04/93/39/600049339.db2.gz HJEXROUWVVIVLW-UHFFFAOYSA-N -1 0 336.344 2.367 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCC[C@@H](O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000833298549 600921891 /nfs/dbraw/zinc/92/18/91/600921891.db2.gz ZGMVYIBJWJILSF-OAHLLOKOSA-N -1 0 344.323 2.147 20 5 EEBDRM CCCCC[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000829349349 601404682 /nfs/dbraw/zinc/40/46/82/601404682.db2.gz WXASJOJWBTVJBZ-SNVBAGLBSA-N -1 0 348.352 2.046 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)NCCSCC(=O)[O-])cc1[N+](=O)[O-] ZINC000832921797 601416244 /nfs/dbraw/zinc/41/62/44/601416244.db2.gz WXDKBZCFYBRGDP-JTQLQIEISA-N -1 0 341.389 2.081 20 5 EEBDRM CN(C)c1ccccc1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000830644353 601591742 /nfs/dbraw/zinc/59/17/42/601591742.db2.gz XDJGWACJFMVHKD-UHFFFAOYSA-N -1 0 343.339 2.289 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000262192056 601595845 /nfs/dbraw/zinc/59/58/45/601595845.db2.gz UNKFFKOJXZRUJR-LBPRGKRZSA-N -1 0 347.352 2.311 20 5 EEBDRM CCC[C@@H]1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829266245 601931258 /nfs/dbraw/zinc/93/12/58/601931258.db2.gz HVGCBSHGNJHSKJ-GFCCVEGCSA-N -1 0 349.387 2.426 20 5 EEBDRM CC(C)(C(=O)OCc1ccc(C(=O)[O-])s1)n1cc([N+](=O)[O-])cn1 ZINC000826126741 602006006 /nfs/dbraw/zinc/00/60/06/602006006.db2.gz GRBJUXQXDAMCJW-UHFFFAOYSA-N -1 0 339.329 2.030 20 5 EEBDRM NC(=O)C[C@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833080774 604271408 /nfs/dbraw/zinc/27/14/08/604271408.db2.gz VMVQPAWXKNNYOL-MRVPVSSYSA-N -1 0 341.751 2.038 20 5 EEBDRM CCc1ccc(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000830232463 604445009 /nfs/dbraw/zinc/44/50/09/604445009.db2.gz XQCCDLIKHPZEFI-CQSZACIVSA-N -1 0 338.360 2.107 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)Nc2cccc(C(=O)[O-])c2O)c1[N+](=O)[O-] ZINC000827097312 604934187 /nfs/dbraw/zinc/93/41/87/604934187.db2.gz JWYSZUXXGMWVRI-UHFFFAOYSA-N -1 0 334.288 2.097 20 5 EEBDRM CC(C)(C)C[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000833426656 605233600 /nfs/dbraw/zinc/23/36/00/605233600.db2.gz HSUDJDOCTFBDSP-LBPRGKRZSA-N -1 0 325.317 2.406 20 5 EEBDRM CN(C(=O)c1csc([N+](=O)[O-])c1)c1ccc(OCC(=O)[O-])cc1 ZINC000833688267 605456503 /nfs/dbraw/zinc/45/65/03/605456503.db2.gz KKZHKHAWGINQMB-UHFFFAOYSA-N -1 0 336.325 2.396 20 5 EEBDRM CN(Cc1cccc(-c2nn[nH]n2)c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000825976206 608521620 /nfs/dbraw/zinc/52/16/20/608521620.db2.gz GSNXUBBZXCJELQ-UHFFFAOYSA-N -1 0 340.343 2.113 20 5 EEBDRM CC[C@H](C)n1nc([N-]c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1C ZINC000825082391 608587285 /nfs/dbraw/zinc/58/72/85/608587285.db2.gz SSPKZVUXCIYTIS-QMMMGPOBSA-N -1 0 343.351 2.389 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1C1CC1 ZINC000176074500 676849254 /nfs/dbraw/zinc/84/92/54/676849254.db2.gz UJVDAKOHYAHVOP-NXEZZACHSA-N -1 0 344.776 2.099 20 5 EEBDRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000176101817 676859493 /nfs/dbraw/zinc/85/94/93/676859493.db2.gz WQYGSXGJZJXTMW-UHFFFAOYSA-N -1 0 326.374 2.288 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(N(C)C)n1 ZINC000137205913 681788868 /nfs/dbraw/zinc/78/88/68/681788868.db2.gz DGOVJHYGURUPHV-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM CCOC(=O)c1ccnc(N[C@@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000262198062 684411981 /nfs/dbraw/zinc/41/19/81/684411981.db2.gz ZSFBPLCSFHPXBL-JTQLQIEISA-N -1 0 325.321 2.078 20 5 EEBDRM O=C(N[C@H]1CCc2ccccc2OC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436659959 694443398 /nfs/dbraw/zinc/44/33/98/694443398.db2.gz BKTCMIBCBUHGHN-LBPRGKRZSA-N -1 0 328.324 2.424 20 5 EEBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000877774251 1200087655 /nfs/dbraw/zinc/08/76/55/1200087655.db2.gz BVABYKZQOWEKCU-ZDUSSCGKSA-N -1 0 331.294 2.238 20 5 EEBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000879764866 1201247189 /nfs/dbraw/zinc/24/71/89/1201247189.db2.gz JQASPQAKJGIZDM-ZDUSSCGKSA-N -1 0 349.284 2.377 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000795360879 1212009846 /nfs/dbraw/zinc/00/98/46/1212009846.db2.gz CAXNFSWMNLLRGC-NSHDSACASA-N -1 0 344.389 2.162 20 5 EEBDRM O=C([O-])C[C@@H]1COCCN1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000902002671 1236822010 /nfs/dbraw/zinc/82/20/10/1236822010.db2.gz SMAREZXSRAEXET-LLVKDONJSA-N -1 0 348.277 2.289 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000802866568 1238479418 /nfs/dbraw/zinc/47/94/18/1238479418.db2.gz MZQZDHCJQYVPDZ-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM C[C@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886068 1277378955 /nfs/dbraw/zinc/37/89/55/1277378955.db2.gz ORIWSXFNTLHWDW-LKFCYVNXSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc1F ZINC000867272863 1285193986 /nfs/dbraw/zinc/19/39/86/1285193986.db2.gz OYJBGWUMNSGIQB-LURJTMIESA-N -1 0 330.259 2.271 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC001225980952 1301219715 /nfs/dbraw/zinc/21/97/15/1301219715.db2.gz SXBKMVZBNTXDNS-LURJTMIESA-N -1 0 347.253 2.082 20 5 EEBDRM C[C@H](COc1ccccc1)OCCCOc1[n-]c(=O)ncc1[N+](=O)[O-] ZINC001226333590 1301361546 /nfs/dbraw/zinc/36/15/46/1301361546.db2.gz BBWWCJZONRAFBQ-GFCCVEGCSA-N -1 0 349.343 2.343 20 5 EEBDRM CSc1nc(O[C@@H](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227625331 1301913944 /nfs/dbraw/zinc/91/39/44/1301913944.db2.gz WBNQQLHQHXPLGK-ZETCQYMHSA-N -1 0 345.377 2.311 20 5 EEBDRM CCOC(=O)[C@@H](CC(C)C)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228603481 1302333115 /nfs/dbraw/zinc/33/31/15/1302333115.db2.gz KLPPWYMXJKBOTD-SNVBAGLBSA-N -1 0 339.348 2.324 20 5 EEBDRM Cc1nc(OC[C@H]2CCC(c3ccccc3)=NO2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378263 1302754685 /nfs/dbraw/zinc/75/46/85/1302754685.db2.gz JPIAHGCABWDXSQ-GFCCVEGCSA-N -1 0 344.327 2.361 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1[n-]c(=O)nc2cc(F)ccc21 ZINC001230885849 1303524868 /nfs/dbraw/zinc/52/48/68/1303524868.db2.gz YZRSTARXCBKWMD-MRVPVSSYSA-N -1 0 347.306 2.355 20 5 EEBDRM O=c1nc(OC[C@H]2CC[C@@]3(CCCCO3)O2)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231072133 1303611281 /nfs/dbraw/zinc/61/12/81/1303611281.db2.gz TZHQSNFLZMDXGN-AMIZOPFISA-N -1 0 345.739 2.198 20 5 EEBDRM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC(F)(F)F ZINC000829871779 1314520431 /nfs/dbraw/zinc/52/04/31/1314520431.db2.gz ANJCMNNEGQXGNA-UHFFFAOYSA-N -1 0 336.650 2.228 20 5 EEBDRM CCc1noc(CCCC(=O)OCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000837451859 1315084077 /nfs/dbraw/zinc/08/40/77/1315084077.db2.gz NRNAVLYRJFJJNZ-UHFFFAOYSA-N -1 0 335.316 2.312 20 5 EEBDRM CCCC(=O)N1CCC[C@@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837486269 1315086513 /nfs/dbraw/zinc/08/65/13/1315086513.db2.gz WRAPDZSRSAJSCT-CQSZACIVSA-N -1 0 336.344 2.135 20 5 EEBDRM CCC/C=C\C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842404913 1315698551 /nfs/dbraw/zinc/69/85/51/1315698551.db2.gz BKUAOJUIBYHPOZ-UITAMQMPSA-N -1 0 326.374 2.206 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000842406274 1315698629 /nfs/dbraw/zinc/69/86/29/1315698629.db2.gz RTRXIEBRFFXEMS-JTQLQIEISA-N -1 0 340.401 2.285 20 5 EEBDRM CCOc1cc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC001251268803 1317442496 /nfs/dbraw/zinc/44/24/96/1317442496.db2.gz VOZDXUUFQCJYJL-UHFFFAOYSA-N -1 0 342.311 2.341 20 5 EEBDRM Cn1cc(S(=O)(=O)[N-]c2cccc3nc4ccccc4nc23)cn1 ZINC001259826808 1319697468 /nfs/dbraw/zinc/69/74/68/1319697468.db2.gz QISGAMICLJQFNB-UHFFFAOYSA-N -1 0 339.380 2.317 20 5 EEBDRM COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(C(N)=O)cc1OC ZINC001210397648 1325265080 /nfs/dbraw/zinc/26/50/80/1325265080.db2.gz BCYYMKCVRLTIHW-UHFFFAOYSA-N -1 0 333.300 2.160 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001210445710 1325288125 /nfs/dbraw/zinc/28/81/25/1325288125.db2.gz HVQOMOXMSMVSHS-UHFFFAOYSA-N -1 0 338.341 2.456 20 5 EEBDRM O=C([O-])c1cc2cc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)ccc2s1 ZINC001608515726 1351708217 /nfs/dbraw/zinc/70/82/17/1351708217.db2.gz WRDHSSICIBVZDR-UHFFFAOYSA-N -1 0 332.297 2.483 20 5 EEBDRM O=C([O-])c1c(Cl)c(NCCCN2CCOC2=O)ccc1[N+](=O)[O-] ZINC001602233048 1350472128 /nfs/dbraw/zinc/47/21/28/1350472128.db2.gz OFCJHLUKLIECEV-UHFFFAOYSA-N -1 0 343.723 2.201 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2C[C@H]2Cc2ccccc2)ccc1[O-] ZINC001309202936 1331621638 /nfs/dbraw/zinc/62/16/38/1331621638.db2.gz WNZGJLODUXPNCI-OCCSQVGLSA-N -1 0 348.380 2.210 20 5 EEBDRM CC[C@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])c1noc(C)n1 ZINC001309275291 1331623742 /nfs/dbraw/zinc/62/37/42/1331623742.db2.gz QZOBQYXJFBTFPQ-QMMMGPOBSA-N -1 0 346.390 2.086 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC001608686668 1351741859 /nfs/dbraw/zinc/74/18/59/1351741859.db2.gz PUXJKIKWOIWVHK-UHFFFAOYSA-N -1 0 349.162 2.156 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N[C@H]2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001608755442 1351755970 /nfs/dbraw/zinc/75/59/70/1351755970.db2.gz SZIYHALIJQZVEE-QWRGUYRKSA-N -1 0 339.323 2.102 20 5 EEBDRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001608769228 1351759114 /nfs/dbraw/zinc/75/91/14/1351759114.db2.gz FALSPDAVOXEAJB-OAHLLOKOSA-N -1 0 342.351 2.340 20 5 EEBDRM O=C([O-])[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC001608818295 1351770872 /nfs/dbraw/zinc/77/08/72/1351770872.db2.gz AHAOLYKQPHVDOO-OAHLLOKOSA-N -1 0 326.312 2.387 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)cc([N+](=O)[O-])c1 ZINC001608835441 1351774998 /nfs/dbraw/zinc/77/49/98/1351774998.db2.gz ITSVZNXJRKLKJQ-MNOVXSKESA-N -1 0 326.255 2.020 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CCCSC2)c1 ZINC001608914739 1351792812 /nfs/dbraw/zinc/79/28/12/1351792812.db2.gz HJDGBWSLFYBNEB-SNVBAGLBSA-N -1 0 325.342 2.479 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC(F)(F)C1 ZINC001321696256 1333145061 /nfs/dbraw/zinc/14/50/61/1333145061.db2.gz LLUXITZNNWZZAC-VIFPVBQESA-N -1 0 348.327 2.225 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCC2(CC2)CC1 ZINC001327479503 1334299714 /nfs/dbraw/zinc/29/97/14/1334299714.db2.gz KJHVWDCKVGPQQA-UHFFFAOYSA-N -1 0 338.385 2.370 20 5 EEBDRM C[C@@H](C(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1cccc([N+](=O)[O-])c1 ZINC001609635172 1352046757 /nfs/dbraw/zinc/04/67/57/1352046757.db2.gz VQWLFCGILCMZSO-SECBINFHSA-N -1 0 347.327 2.436 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC001609640237 1352048231 /nfs/dbraw/zinc/04/82/31/1352048231.db2.gz BJEDJOBNVHIPCQ-LLVKDONJSA-N -1 0 345.355 2.404 20 5 EEBDRM CC(C)n1cnnc1CN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609724357 1352069650 /nfs/dbraw/zinc/06/96/50/1352069650.db2.gz LQABFGLXTMIBLQ-UHFFFAOYSA-N -1 0 333.348 2.097 20 5 EEBDRM C[C@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)C(C)(C)C(=O)[O-] ZINC001609793422 1352086436 /nfs/dbraw/zinc/08/64/36/1352086436.db2.gz BHIHCCXGIOEYMZ-ZETCQYMHSA-N -1 0 343.719 2.473 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001609831621 1352096561 /nfs/dbraw/zinc/09/65/61/1352096561.db2.gz FLXFUMOOAGWLIN-VXNVDRBHSA-N -1 0 344.270 2.131 20 5 EEBDRM CN(c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C)[C@@H]1CCSC1 ZINC001339664218 1337048123 /nfs/dbraw/zinc/04/81/23/1337048123.db2.gz FGMBVANBMRALEX-SNVBAGLBSA-N -1 0 335.389 2.038 20 5 EEBDRM CO[C@@H]1CCN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC001610238957 1352192564 /nfs/dbraw/zinc/19/25/64/1352192564.db2.gz KCEPBQMKCPJRHN-IFCOSYQSSA-N -1 0 348.355 2.089 20 5 EEBDRM CC[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847893445 1338366226 /nfs/dbraw/zinc/36/62/26/1338366226.db2.gz AXXHTVWCPDWQFQ-PWSUYJOCSA-N -1 0 341.389 2.011 20 5 EEBDRM COCC1(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CCC1 ZINC001610252253 1352194673 /nfs/dbraw/zinc/19/46/73/1352194673.db2.gz ULFNWHQSWGHCOQ-UHFFFAOYSA-N -1 0 337.332 2.292 20 5 EEBDRM CS[C@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001610381756 1352213467 /nfs/dbraw/zinc/21/34/67/1352213467.db2.gz DPDKYIUMLCWVOG-QMMMGPOBSA-N -1 0 327.318 2.143 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001610480178 1352229777 /nfs/dbraw/zinc/22/97/77/1352229777.db2.gz SOJRPVVTWSOHAW-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC001610526131 1352238982 /nfs/dbraw/zinc/23/89/82/1352238982.db2.gz HPKWXISXKBNFJE-GWCFXTLKSA-N -1 0 335.360 2.027 20 5 EEBDRM CCn1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)n1 ZINC000849311167 1339152310 /nfs/dbraw/zinc/15/23/10/1339152310.db2.gz BISKMWBGWGMYDW-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001610709992 1352263021 /nfs/dbraw/zinc/26/30/21/1352263021.db2.gz JVFQEGGXUDWGFA-GFCCVEGCSA-N -1 0 331.687 2.279 20 5 EEBDRM CC(C)C[C@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])CC(=O)[O-] ZINC001589658629 1349016531 /nfs/dbraw/zinc/01/65/31/1349016531.db2.gz JNGBFPRKLDYZKI-JTQLQIEISA-N -1 0 348.363 2.324 20 5 EEBDRM Cc1c(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001600008789 1349954493 /nfs/dbraw/zinc/95/44/93/1349954493.db2.gz BUZYNXXMRRKMRA-HEHGZKQESA-N -1 0 332.356 2.157 20 5 EEBDRM Cc1c(NC(=O)NC[C@]2(C)CCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600042458 1349960438 /nfs/dbraw/zinc/96/04/38/1349960438.db2.gz HOBWLSKJXPIXMH-HNNXBMFYSA-N -1 0 337.332 2.150 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Sc2cccc(C(N)=O)c2)n1 ZINC001600107096 1349972641 /nfs/dbraw/zinc/97/26/41/1349972641.db2.gz YUSFSSJKKSQCEN-UHFFFAOYSA-N -1 0 333.325 2.247 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCc1cnc(C(=O)[O-])cn1 ZINC001600164011 1349983462 /nfs/dbraw/zinc/98/34/62/1349983462.db2.gz AQXHIOOTARTCQB-UHFFFAOYSA-N -1 0 345.311 2.365 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001600216144 1349995269 /nfs/dbraw/zinc/99/52/69/1349995269.db2.gz CJGFCRAZIUXIED-HTQZYQBOSA-N -1 0 327.724 2.399 20 5 EEBDRM Cc1cc(F)cc(C(=O)N(C)c2ncc(C(=O)[O-])s2)c1[N+](=O)[O-] ZINC001600230283 1349997324 /nfs/dbraw/zinc/99/73/24/1349997324.db2.gz FVVGSVYEOUIEFB-UHFFFAOYSA-N -1 0 339.304 2.474 20 5 EEBDRM Cc1cc(N2CCN(CC(C)C)C(=O)[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600241217 1350000057 /nfs/dbraw/zinc/00/00/57/1350000057.db2.gz ZRAGLEDITZQYIG-LBPRGKRZSA-N -1 0 349.387 2.295 20 5 EEBDRM Cc1ccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600417071 1350046449 /nfs/dbraw/zinc/04/64/49/1350046449.db2.gz REOSFTYUKYBYBG-GUYCJALGSA-N -1 0 347.371 2.300 20 5 EEBDRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001600517030 1350071143 /nfs/dbraw/zinc/07/11/43/1350071143.db2.gz VIZRVPQEAVJICK-HNNXBMFYSA-N -1 0 343.339 2.431 20 5 EEBDRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001600638728 1350103816 /nfs/dbraw/zinc/10/38/16/1350103816.db2.gz LBKILDZTLSARIG-UHFFFAOYSA-N -1 0 346.339 2.438 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001600748260 1350127148 /nfs/dbraw/zinc/12/71/48/1350127148.db2.gz HGGVENDJLQDBPL-UHFFFAOYSA-N -1 0 344.327 2.315 20 5 EEBDRM O=C(/C=C\c1cc(C(=O)[O-])co1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001601233687 1350237865 /nfs/dbraw/zinc/23/78/65/1350237865.db2.gz NSKVWEBDIGJQSD-WAYWQWQTSA-N -1 0 345.311 2.128 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)nc1 ZINC001601349010 1350263433 /nfs/dbraw/zinc/26/34/33/1350263433.db2.gz CMQJVKJAFTWKOB-UHFFFAOYSA-N -1 0 347.352 2.097 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)C[C@H]2CCCC[C@@H]2O)c1 ZINC001601352811 1350264362 /nfs/dbraw/zinc/26/43/62/1350264362.db2.gz OTJMVZUKDBKLBQ-YGRLFVJLSA-N -1 0 337.328 2.277 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC001601365624 1350267682 /nfs/dbraw/zinc/26/76/82/1350267682.db2.gz XOPXFLIZGWLANH-CQSZACIVSA-N -1 0 338.335 2.426 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)Cc1cccc(F)c1[N+](=O)[O-])CC2 ZINC001601365426 1350267847 /nfs/dbraw/zinc/26/78/47/1350267847.db2.gz SRZAQJIFQMIILF-WBMJQRKESA-N -1 0 336.319 2.132 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001601528518 1350300668 /nfs/dbraw/zinc/30/06/68/1350300668.db2.gz ILLXXEMWCPIKCZ-IYSWYEEDSA-N -1 0 333.127 2.352 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001601571534 1350309559 /nfs/dbraw/zinc/30/95/59/1350309559.db2.gz NMZRYQXHIMPTQX-APPZFPTMSA-N -1 0 332.234 2.207 20 5 EEBDRM O=C([O-])[C@@H](O)C1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001601689796 1350338189 /nfs/dbraw/zinc/33/81/89/1350338189.db2.gz XAVBYTWXXTWDDK-LBPRGKRZSA-N -1 0 330.287 2.194 20 5 EEBDRM O=C([O-])C1=NO[C@]2(CCN(c3ccc([N+](=O)[O-])cc3C(F)F)C2)C1 ZINC001601744912 1350353744 /nfs/dbraw/zinc/35/37/44/1350353744.db2.gz SGGXLABUTZBXHC-CQSZACIVSA-N -1 0 341.270 2.342 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]([C@H]2CCCO2)C1 ZINC001601826894 1350373791 /nfs/dbraw/zinc/37/37/91/1350373791.db2.gz ABAZZCPXHPEYRB-BPLDGKMQSA-N -1 0 348.355 2.079 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001602074920 1350431444 /nfs/dbraw/zinc/43/14/44/1350431444.db2.gz WZVYHNLMNRGUKC-NTZNESFSSA-N -1 0 347.371 2.257 20 5 EEBDRM O=C([O-])CSCCC(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001602099228 1350437127 /nfs/dbraw/zinc/43/71/27/1350437127.db2.gz PKMABZHSCFLHHY-UHFFFAOYSA-N -1 0 335.341 2.289 20 5 EEBDRM O=C([O-])c1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001602249778 1350476397 /nfs/dbraw/zinc/47/63/97/1350476397.db2.gz KWQQLUPJLFQNGE-UHFFFAOYSA-N -1 0 345.311 2.301 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2csc(-c3ccco3)n2)c1 ZINC001602299953 1350488344 /nfs/dbraw/zinc/48/83/44/1350488344.db2.gz YALGZQWRFWLKSF-UHFFFAOYSA-N -1 0 347.308 2.220 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(CCSc2ccc(F)cc2)c1=O ZINC001602300921 1350488809 /nfs/dbraw/zinc/48/88/09/1350488809.db2.gz ZRBDOWRSUNRXLC-UHFFFAOYSA-N -1 0 338.316 2.386 20 5 EEBDRM O=C([O-])c1cccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)n1 ZINC001602429969 1350517760 /nfs/dbraw/zinc/51/77/60/1350517760.db2.gz BIYCSZQSBOWKAR-UHFFFAOYSA-N -1 0 326.268 2.329 20 5 EEBDRM O=C([O-])c1ccnc(NCc2ccnc(OC(F)F)c2)c1[N+](=O)[O-] ZINC001602483391 1350529745 /nfs/dbraw/zinc/52/97/45/1350529745.db2.gz MVEIWPFKKWZKTR-UHFFFAOYSA-N -1 0 340.242 2.297 20 5 EEBDRM O=C([O-])[C@]12CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001602626016 1350560954 /nfs/dbraw/zinc/56/09/54/1350560954.db2.gz TUFQDCKXCVDOKN-QLJPJBMISA-N -1 0 336.319 2.451 20 5 EEBDRM O=C([O-])c1occc1/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O ZINC001602661759 1350567863 /nfs/dbraw/zinc/56/78/63/1350567863.db2.gz UMWUZCPKKFISFW-YRNVUSSQSA-N -1 0 328.236 2.231 20 5 EEBDRM CC(C)(C)/C=C\C(=O)OCc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603069227 1350632069 /nfs/dbraw/zinc/63/20/69/1350632069.db2.gz SIDDZQHGIAMVIP-FPLPWBNLSA-N -1 0 331.332 2.420 20 5 EEBDRM CC(C)(NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC001603680173 1350740966 /nfs/dbraw/zinc/74/09/66/1350740966.db2.gz XYHKVLNFGAOUOJ-UHFFFAOYSA-N -1 0 337.151 2.012 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001603841414 1350780321 /nfs/dbraw/zinc/78/03/21/1350780321.db2.gz PPTFELHULTYIQJ-JTQLQIEISA-N -1 0 346.286 2.425 20 5 EEBDRM CC(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)n2)cc1[N+](=O)[O-] ZINC001603996386 1350825123 /nfs/dbraw/zinc/82/51/23/1350825123.db2.gz DXQJDYOWJWQOAJ-UHFFFAOYSA-N -1 0 332.316 2.402 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(OCC(=O)[O-])cc1 ZINC001604315544 1350913904 /nfs/dbraw/zinc/91/39/04/1350913904.db2.gz WMFUMQOYWVICMV-SECBINFHSA-N -1 0 334.284 2.142 20 5 EEBDRM C[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC=CCC1 ZINC001604595754 1350967039 /nfs/dbraw/zinc/96/70/39/1350967039.db2.gz IQYBOWFCPHZQNT-AWEZNQCLSA-N -1 0 340.357 2.070 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001604657321 1350978984 /nfs/dbraw/zinc/97/89/84/1350978984.db2.gz LLOJUTIYGAKGMP-CLLJXQQHSA-N -1 0 349.387 2.131 20 5 EEBDRM CC[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001605037499 1351064244 /nfs/dbraw/zinc/06/42/44/1351064244.db2.gz KRRJDDGKXMMAJB-SSDOTTSWSA-N -1 0 332.259 2.037 20 5 EEBDRM CC[C@@H](COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001605046002 1351065561 /nfs/dbraw/zinc/06/55/61/1351065561.db2.gz AVUHHVFWSKDXNG-JTQLQIEISA-N -1 0 333.300 2.048 20 5 EEBDRM CCOC(=O)[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605525063 1351180213 /nfs/dbraw/zinc/18/02/13/1351180213.db2.gz XULHSEYCRSRFNA-AWEZNQCLSA-N -1 0 336.344 2.211 20 5 EEBDRM CN(CCOc1ccccc1F)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606138511 1351278156 /nfs/dbraw/zinc/27/81/56/1351278156.db2.gz XPPBUEUGQNRPMO-UHFFFAOYSA-N -1 0 335.291 2.342 20 5 EEBDRM COc1cccc(C(=O)NCc2ccccc2CC(=O)[O-])c1[N+](=O)[O-] ZINC001607305141 1351469666 /nfs/dbraw/zinc/46/96/66/1351469666.db2.gz NCWROVZWSLSASZ-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM COc1cnc(F)c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001607355021 1351480999 /nfs/dbraw/zinc/48/09/99/1351480999.db2.gz QHDHCYOAAVHUJZ-UHFFFAOYSA-N -1 0 335.247 2.088 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001607378013 1351484157 /nfs/dbraw/zinc/48/41/57/1351484157.db2.gz XTMPDAFKRLXIFX-ZJUUUORDSA-N -1 0 342.373 2.054 20 5 EEBDRM Cc1c(NC(=O)C2SCCS2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607540076 1351512697 /nfs/dbraw/zinc/51/26/97/1351512697.db2.gz PWANWMTYWBLBMV-UHFFFAOYSA-N -1 0 328.371 2.346 20 5 EEBDRM Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cnn1CC(=O)[O-] ZINC001607549286 1351514522 /nfs/dbraw/zinc/51/45/22/1351514522.db2.gz PUCRIPCKUGHCKS-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1ncc([N+](=O)[O-])c(OCC(=O)Nc2ccccc2C(=O)[O-])c1C ZINC001607985211 1351597857 /nfs/dbraw/zinc/59/78/57/1351597857.db2.gz QQBKVSYBLHHIBL-UHFFFAOYSA-N -1 0 345.311 2.322 20 5 EEBDRM Cc1oc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1C(=O)[O-] ZINC001608052293 1351615473 /nfs/dbraw/zinc/61/54/73/1351615473.db2.gz LFOTWCYKNRNNMR-UHFFFAOYSA-N -1 0 349.251 2.280 20 5 EEBDRM Cn1c2ccccc2c(NC[C@H](CC(=O)[O-])C2CC2)c([N+](=O)[O-])c1=O ZINC001608076517 1351620156 /nfs/dbraw/zinc/62/01/56/1351620156.db2.gz WSPRTQLJQONCQW-NSHDSACASA-N -1 0 345.355 2.360 20 5 EEBDRM Nc1ccc(NC(=O)NCc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC001608273415 1351660765 /nfs/dbraw/zinc/66/07/65/1351660765.db2.gz LFKXHBXJOHZKOK-UHFFFAOYSA-N -1 0 344.327 2.126 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001608274417 1351661168 /nfs/dbraw/zinc/66/11/68/1351661168.db2.gz DSVFLLGEKKDWCZ-NSHDSACASA-N -1 0 335.360 2.188 20 5 EEBDRM O=C([O-])c1ccccc1NC(=O)CN1CCc2c1cccc2[N+](=O)[O-] ZINC001608335325 1351672888 /nfs/dbraw/zinc/67/28/88/1351672888.db2.gz SGCPIJLVJXTDQT-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC001608343711 1351675022 /nfs/dbraw/zinc/67/50/22/1351675022.db2.gz ZPLNUKNMMLHSFE-CYBMUJFWSA-N -1 0 349.387 2.404 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@](O)(c2ccccc2)C1 ZINC000862808081 1369550261 /nfs/dbraw/zinc/55/02/61/1369550261.db2.gz VIOAAFGJKVSRJX-GOSISDBHSA-N -1 0 342.351 2.424 20 5 EEBDRM COc1nc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC000784771749 1371440846 /nfs/dbraw/zinc/44/08/46/1371440846.db2.gz RXBMZWZEGKFUGW-UHFFFAOYSA-N -1 0 339.691 2.109 20 5 EEBDRM C/C=C(/CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000588569467 760920627 /nfs/dbraw/zinc/92/06/27/760920627.db2.gz PSEJZXDRMUWODH-BAQGIRSFSA-N -1 0 332.765 2.409 20 5 EEBDRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000821116036 786603674 /nfs/dbraw/zinc/60/36/74/786603674.db2.gz HDOHCVWRNQCPOM-GFCCVEGCSA-N -1 0 330.362 2.068 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@](C)(O)c2cccs2)n1 ZINC000844210850 788928694 /nfs/dbraw/zinc/92/86/94/788928694.db2.gz LPTUKBUVONAUBQ-AWEZNQCLSA-N -1 0 337.357 2.378 20 5 EEBDRM COc1cccc(CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000844210623 788928962 /nfs/dbraw/zinc/92/89/62/788928962.db2.gz WTLCBCGNUZZNLN-UHFFFAOYSA-N -1 0 331.328 2.280 20 5 EEBDRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000845446059 789781188 /nfs/dbraw/zinc/78/11/88/789781188.db2.gz IKQIHKYBRKGWBJ-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CC1(Cl)Cl ZINC000915361275 795931831 /nfs/dbraw/zinc/93/18/31/795931831.db2.gz FXSPVGIQOXYZRY-MRVPVSSYSA-N -1 0 339.200 2.375 20 5 EEBDRM CCCCSCC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000916785614 797886522 /nfs/dbraw/zinc/88/65/22/797886522.db2.gz DVKHNTZVRWGIMK-UHFFFAOYSA-N -1 0 346.430 2.074 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154270413 798063907 /nfs/dbraw/zinc/06/39/07/798063907.db2.gz PXTTUDANMZEDIF-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM Cc1cc2[nH]c(=O)n(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2cc1N ZINC001176676808 798524235 /nfs/dbraw/zinc/52/42/35/798524235.db2.gz JFCJMENSMJMRQN-UHFFFAOYSA-N -1 0 328.284 2.228 20 5 EEBDRM Cc1[nH]nc(C(=O)N(C)CCCNc2ccc([N+](=O)[O-])c(C)c2)c1[O-] ZINC001109413376 805426133 /nfs/dbraw/zinc/42/61/33/805426133.db2.gz OYPGUXXRGBGFDI-UHFFFAOYSA-N -1 0 347.375 2.215 20 5 EEBDRM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000804488896 810896649 /nfs/dbraw/zinc/89/66/49/810896649.db2.gz VUKZJSKXRXMBDH-BZNIZROVSA-N -1 0 330.340 2.461 20 5 EEBDRM O=C([O-])CSCC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001611492172 971082129 /nfs/dbraw/zinc/08/21/29/971082129.db2.gz XAUXWUGYGBXDQZ-LBPRGKRZSA-N -1 0 338.385 2.119 20 5 EEBDRM O=C([O-])CSCC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001611492170 971082163 /nfs/dbraw/zinc/08/21/63/971082163.db2.gz XAUXWUGYGBXDQZ-GFCCVEGCSA-N -1 0 338.385 2.119 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001602323769 971180870 /nfs/dbraw/zinc/18/08/70/971180870.db2.gz ZDEQFMPJZCAEKA-UHFFFAOYSA-N -1 0 340.295 2.099 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001602467943 971203867 /nfs/dbraw/zinc/20/38/67/971203867.db2.gz ZIOZGERTJQRBOR-UHFFFAOYSA-N -1 0 326.308 2.425 20 5 EEBDRM O=C([O-])c1ccc(Cn2cnc3sc([N+](=O)[O-])cc3c2=O)cc1 ZINC001595233257 949366822 /nfs/dbraw/zinc/36/68/22/949366822.db2.gz GSFHVLSFFCDBAR-UHFFFAOYSA-N -1 0 331.309 2.113 20 5 EEBDRM O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CO1 ZINC001595006191 951202453 /nfs/dbraw/zinc/20/24/53/951202453.db2.gz RQMFZIJWUYVXDQ-SFYZADRCSA-N -1 0 344.270 2.081 20 5 EEBDRM O=C([O-])Cn1cc(Nc2c3cccc(Cl)c3ncc2[N+](=O)[O-])cn1 ZINC001595148670 952129346 /nfs/dbraw/zinc/12/93/46/952129346.db2.gz UZAALLFTYSBHRU-UHFFFAOYSA-N -1 0 347.718 2.243 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001574842093 957953845 /nfs/dbraw/zinc/95/38/45/957953845.db2.gz BSBHXPNARZPUFP-GFCCVEGCSA-N -1 0 332.316 2.084 20 5 EEBDRM COc1cc(C(=O)NCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])cc1F ZINC001594051507 957996923 /nfs/dbraw/zinc/99/69/23/957996923.db2.gz WCDDNKVXHUJNHK-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001521194608 958222083 /nfs/dbraw/zinc/22/20/83/958222083.db2.gz JVBAJAYSJIKVBO-COPLHBTASA-N -1 0 335.360 2.408 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC001594381525 958628901 /nfs/dbraw/zinc/62/89/01/958628901.db2.gz ZVMXFPQJOFUVTH-GFCCVEGCSA-N -1 0 338.360 2.288 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000129961868 958723479 /nfs/dbraw/zinc/72/34/79/958723479.db2.gz ZFEXLQZDOFQIHG-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM CC[C@](C)(NC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000159018549 959106335 /nfs/dbraw/zinc/10/63/35/959106335.db2.gz GRHPSICCVWBNMJ-LBPRGKRZSA-N -1 0 345.149 2.340 20 5 EEBDRM Cc1c(CC(=O)Nc2ccc(O)c(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001594259256 959679391 /nfs/dbraw/zinc/67/93/91/959679391.db2.gz JCQUIHUNJLMJNQ-UHFFFAOYSA-N -1 0 330.296 2.488 20 5 EEBDRM CC[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001573804223 960839739 /nfs/dbraw/zinc/83/97/39/960839739.db2.gz NLVYZDRXCIBCRP-SSDOTTSWSA-N -1 0 345.149 2.198 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001604157387 972570795 /nfs/dbraw/zinc/57/07/95/972570795.db2.gz GRWUHSLOVMZIAA-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C(=O)[O-] ZINC001603407838 973074982 /nfs/dbraw/zinc/07/49/82/973074982.db2.gz UYGRMZWHERRTAJ-YMTOWFKASA-N -1 0 331.328 2.401 20 5 EEBDRM CC(C)Oc1nc(N2CCSC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001591809232 976033643 /nfs/dbraw/zinc/03/36/43/976033643.db2.gz BLWXXRCAFSERMD-SNVBAGLBSA-N -1 0 341.389 2.031 20 5 EEBDRM C[C@@H](/C=C\C(=O)[O-])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001592203244 977226567 /nfs/dbraw/zinc/22/65/67/977226567.db2.gz YVGJRKVJKAHOBU-YAPUSRSVSA-N -1 0 344.776 2.486 20 5 EEBDRM Nc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000851617757 979541981 /nfs/dbraw/zinc/54/19/81/979541981.db2.gz FILYNXHKIZINLQ-DYEKYZERSA-N -1 0 347.371 2.283 20 5 EEBDRM CC[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](C)C(=O)[O-] ZINC001595349122 980651864 /nfs/dbraw/zinc/65/18/64/980651864.db2.gz QWHQPQPADFIAAR-KCJUWKMLSA-N -1 0 339.300 2.022 20 5 EEBDRM CCCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@@H](C)C(=O)[O-] ZINC001595824418 982703417 /nfs/dbraw/zinc/70/34/17/982703417.db2.gz HJDJKIUESBISPU-LURJTMIESA-N -1 0 347.730 2.295 20 5 EEBDRM CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)C(=O)[O-] ZINC001595830111 982716892 /nfs/dbraw/zinc/71/68/92/982716892.db2.gz LFUUOXMQGSWGOM-NSHDSACASA-N -1 0 346.343 2.106 20 5 EEBDRM Cc1cc(C)c(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)[nH]1 ZINC001331826801 983038748 /nfs/dbraw/zinc/03/87/48/983038748.db2.gz MWENKVWJDFAQGF-INIZCTEOSA-N -1 0 331.328 2.270 20 5 EEBDRM C[C@H](NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001599900474 984813107 /nfs/dbraw/zinc/81/31/07/984813107.db2.gz SRKBHVQJMZZOHK-BQBZGAKWSA-N -1 0 349.265 2.003 20 5 EEBDRM C[C@@H]1CN(CCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CCO1 ZINC001594531417 986122867 /nfs/dbraw/zinc/12/28/67/986122867.db2.gz KGCFOSUMTLXLLY-SECBINFHSA-N -1 0 343.767 2.079 20 5 EEBDRM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC001589378526 986445220 /nfs/dbraw/zinc/44/52/20/986445220.db2.gz MIWJTAYEZSGVMG-ISVAXAHUSA-N -1 0 330.287 2.302 20 5 EEBDRM CC(C)(C(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589563514 987324735 /nfs/dbraw/zinc/32/47/35/987324735.db2.gz DMZAEMSDNYNAFK-SNVBAGLBSA-N -1 0 348.277 2.236 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC001589588821 987386946 /nfs/dbraw/zinc/38/69/46/987386946.db2.gz KSPUODYHFVGQJM-UHFFFAOYSA-N -1 0 325.708 2.278 20 5 EEBDRM CC(C)(C)C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC001589745566 988040369 /nfs/dbraw/zinc/04/03/69/988040369.db2.gz PCWFLKLQDCIAPK-NSHDSACASA-N -1 0 326.324 2.282 20 5 EEBDRM CC(C)(C)NC(=O)[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001589824362 988287588 /nfs/dbraw/zinc/28/75/88/988287588.db2.gz BBQVGJCKPBYMEI-AWEZNQCLSA-N -1 0 349.387 2.172 20 5 EEBDRM CCc1nc(C)ncc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001597662664 988737691 /nfs/dbraw/zinc/73/76/91/988737691.db2.gz FLOXMFYAZDVHKL-UHFFFAOYSA-N -1 0 331.284 2.173 20 5 EEBDRM CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598049894 990302045 /nfs/dbraw/zinc/30/20/45/990302045.db2.gz HDZFOKNAHIKLFT-DKTWLAJQSA-N -1 0 341.751 2.253 20 5 EEBDRM CC(C)(CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001590675695 990385349 /nfs/dbraw/zinc/38/53/49/990385349.db2.gz QIBMDTKXYGEPMB-UHFFFAOYSA-N -1 0 328.752 2.408 20 5 EEBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001598079192 990392019 /nfs/dbraw/zinc/39/20/19/990392019.db2.gz KELOKDRMIGZKJU-UHFFFAOYSA-N -1 0 345.267 2.478 20 5 EEBDRM CC(C)(NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cc(C(=O)[O-])on1 ZINC001590858581 990747314 /nfs/dbraw/zinc/74/73/14/990747314.db2.gz MHMDMOJAAKEYJC-UHFFFAOYSA-N -1 0 337.263 2.085 20 5 EEBDRM COc1cccc([N+](=O)[O-])c1N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001599688697 991030757 /nfs/dbraw/zinc/03/07/57/991030757.db2.gz XCXPDQCFVAGZGH-GFCCVEGCSA-N -1 0 334.250 2.447 20 5 EEBDRM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c(C(=O)[O-])c1 ZINC001599596329 993753035 /nfs/dbraw/zinc/75/30/35/993753035.db2.gz QGGNWWUFIQYYRY-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NCCC(C)(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169684 994021914 /nfs/dbraw/zinc/02/19/14/994021914.db2.gz BSAKQNZJXFGXQC-MRVPVSSYSA-N -1 0 345.302 2.255 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NCC2CC=CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171354 994030626 /nfs/dbraw/zinc/03/06/26/994030626.db2.gz SVTDRJZXOKEDBJ-JTQLQIEISA-N -1 0 333.344 2.176 20 5 EEBDRM C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ncc(C(=O)[O-])s1 ZINC001593312749 994806079 /nfs/dbraw/zinc/80/60/79/994806079.db2.gz ZYIGKEOOANPWPZ-ZETCQYMHSA-N -1 0 347.356 2.477 20 5 EEBDRM COc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)c([N+](=O)[O-])cc1F ZINC001599351400 998100327 /nfs/dbraw/zinc/10/03/27/998100327.db2.gz PVMDQGNYKBKZEX-RKDXNWHRSA-N -1 0 340.307 2.068 20 5 EEBDRM COCCOC[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599249470 998204057 /nfs/dbraw/zinc/20/40/57/998204057.db2.gz KKLOROPMZJZEOB-QMMMGPOBSA-N -1 0 332.740 2.410 20 5 EEBDRM C[C@@H]1[C@H](C)[S@@](=O)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001594179940 998697811 /nfs/dbraw/zinc/69/78/11/998697811.db2.gz TVISJSFRBUIZIF-BORLJHCYSA-N -1 0 346.792 2.292 20 5 EEBDRM COC(=O)c1ccnc(NCCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001599004421 998845310 /nfs/dbraw/zinc/84/53/10/998845310.db2.gz KVGRQUFWOMBTIB-UHFFFAOYSA-N -1 0 345.311 2.129 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCCCCC(=O)[O-] ZINC000414623639 529935065 /nfs/dbraw/zinc/93/50/65/529935065.db2.gz HXSVJLMRRFTJKN-UHFFFAOYSA-N -1 0 337.376 2.424 20 5 EEBDRM Cc1ccc(NC(=O)CN(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000159875146 237223072 /nfs/dbraw/zinc/22/30/72/237223072.db2.gz IXJJVDWHZVPJGD-UHFFFAOYSA-N -1 0 343.339 2.320 20 5 EEBDRM C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000160004539 237228123 /nfs/dbraw/zinc/22/81/23/237228123.db2.gz AEWSCIWFTCIYBS-GFCCVEGCSA-N -1 0 341.367 2.481 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000191493857 239143914 /nfs/dbraw/zinc/14/39/14/239143914.db2.gz XVMRQOHLMBGJPL-UHFFFAOYSA-N -1 0 346.343 2.236 20 5 EEBDRM C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC000262999401 245292540 /nfs/dbraw/zinc/29/25/40/245292540.db2.gz OTHQXTQUIXFEPE-WFASDCNBSA-N -1 0 349.387 2.356 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000262998374 245293431 /nfs/dbraw/zinc/29/34/31/245293431.db2.gz QXFZEQACWAISHF-LLVKDONJSA-N -1 0 331.328 2.084 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(Cc2ccccc2)CC1 ZINC000017358085 211967521 /nfs/dbraw/zinc/96/75/21/211967521.db2.gz FCYCIEFYNKKYHG-UHFFFAOYSA-N -1 0 341.367 2.258 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263298040 296208456 /nfs/dbraw/zinc/20/84/56/296208456.db2.gz ZUQUADTWNOKNKW-DTWKUNHWSA-N -1 0 344.751 2.195 20 5 EEBDRM COC(=O)NCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000491557287 246072424 /nfs/dbraw/zinc/07/24/24/246072424.db2.gz IJOIYYACKAQGLO-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM O=C(/C=C\C1CCC1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000492057554 246280015 /nfs/dbraw/zinc/28/00/15/246280015.db2.gz MLTCNXWXBFZPDN-DAXSKMNVSA-N -1 0 344.776 2.409 20 5 EEBDRM Cc1csc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000154095950 224202165 /nfs/dbraw/zinc/20/21/65/224202165.db2.gz QFTUVEGPEORREX-UHFFFAOYSA-N -1 0 327.387 2.344 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000263442441 140900987 /nfs/dbraw/zinc/90/09/87/140900987.db2.gz XJSPZEAYNOJSFT-KRWDZBQOSA-N -1 0 347.371 2.132 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000263127267 152382289 /nfs/dbraw/zinc/38/22/89/152382289.db2.gz CRVDUJBVEUCAMA-ZWNOBZJWSA-N -1 0 338.385 2.399 20 5 EEBDRM COC(=O)c1ccccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000342985330 152714109 /nfs/dbraw/zinc/71/41/09/152714109.db2.gz UZLKHOHXBYKTQT-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)s1 ZINC000238039704 160227394 /nfs/dbraw/zinc/22/73/94/160227394.db2.gz ZWVUDLPJXIIBFI-UHFFFAOYSA-N -1 0 335.341 2.196 20 5 EEBDRM O=C(NC[C@H](O)CCc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000345818955 161334951 /nfs/dbraw/zinc/33/49/51/161334951.db2.gz YXBXADFCTJBFEH-CQSZACIVSA-N -1 0 330.340 2.024 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](CO)C1CCCC1 ZINC000352557584 162185885 /nfs/dbraw/zinc/18/58/85/162185885.db2.gz AAOAGDZQSMMOFO-LLVKDONJSA-N -1 0 348.808 2.078 20 5 EEBDRM CN(C)C(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000355489762 163207505 /nfs/dbraw/zinc/20/75/05/163207505.db2.gz YXAIODUUIPTTLL-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM CCc1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)n1 ZINC000357522164 163723985 /nfs/dbraw/zinc/72/39/85/163723985.db2.gz LPYJMNNFBAAGHH-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000359858610 164186910 /nfs/dbraw/zinc/18/69/10/164186910.db2.gz QJNOTDQLLGETCP-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361788989 164502787 /nfs/dbraw/zinc/50/27/87/164502787.db2.gz QVRWDSZZVRMLPF-UHFFFAOYSA-N -1 0 332.288 2.296 20 5 EEBDRM O=C(NCCN1CCc2ccccc2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164138589 226048495 /nfs/dbraw/zinc/04/84/95/226048495.db2.gz ZOSRMYGNLGHXLF-UHFFFAOYSA-N -1 0 341.367 2.089 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](OCc2ccccn2)C1 ZINC000272667513 269006772 /nfs/dbraw/zinc/00/67/72/269006772.db2.gz JJJHZMMLZNQBMN-MRXNPFEDSA-N -1 0 343.339 2.127 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272679256 269007899 /nfs/dbraw/zinc/00/78/99/269007899.db2.gz MZYLJRLTNKPXAW-IXNJGMSNSA-N -1 0 340.401 2.110 20 5 EEBDRM O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183439025 274016427 /nfs/dbraw/zinc/01/64/27/274016427.db2.gz LMAQILMBXPYWMC-UHFFFAOYSA-N -1 0 343.274 2.273 20 5 EEBDRM CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000285763988 274788477 /nfs/dbraw/zinc/78/84/77/274788477.db2.gz IYDSSGWXDNNHMT-MADCSZMMSA-N -1 0 343.767 2.443 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCCc2c1cnn2C ZINC000097097816 288922287 /nfs/dbraw/zinc/92/22/87/288922287.db2.gz ASPANUVFPVLCFZ-CYBMUJFWSA-N -1 0 330.344 2.184 20 5 EEBDRM Cn1nccc1[C@@H]1CCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000282149779 292814457 /nfs/dbraw/zinc/81/44/57/292814457.db2.gz QHDPYJZATSWWAY-HNNXBMFYSA-N -1 0 330.344 2.401 20 5 EEBDRM COc1ccc(Cn2ccc([N-]c3ncc([N+](=O)[O-])cn3)n2)cc1 ZINC000302464322 294954834 /nfs/dbraw/zinc/95/48/34/294954834.db2.gz VASASEOKWQSCHT-UHFFFAOYSA-N -1 0 326.316 2.382 20 5 EEBDRM CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000322856864 311598632 /nfs/dbraw/zinc/59/86/32/311598632.db2.gz RXGHYNBEUYLWDC-GFCCVEGCSA-N -1 0 342.373 2.102 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c([N+](=O)[O-])n1 ZINC000435719625 314920050 /nfs/dbraw/zinc/92/00/50/314920050.db2.gz ONVHOFUYKFUGRW-UHFFFAOYSA-N -1 0 336.373 2.101 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c([N+](=O)[O-])n1 ZINC000435724602 314920521 /nfs/dbraw/zinc/92/05/21/314920521.db2.gz UVDVRDLOHHSMGR-UHFFFAOYSA-N -1 0 348.743 2.405 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](C)C1 ZINC000435954453 314934517 /nfs/dbraw/zinc/93/45/17/314934517.db2.gz QRSCYFKXLYDBKW-KWQFWETISA-N -1 0 342.373 2.068 20 5 EEBDRM C[C@@H]1Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2NC1=O ZINC000436867222 315008159 /nfs/dbraw/zinc/00/81/59/315008159.db2.gz BDSLUSGXXNNHTM-QMMMGPOBSA-N -1 0 343.295 2.272 20 5 EEBDRM CN1C[C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000444537684 315306256 /nfs/dbraw/zinc/30/62/56/315306256.db2.gz AUJSDKQWPVKHLQ-LBPRGKRZSA-N -1 0 341.367 2.339 20 5 EEBDRM CCNC(=O)OC[C@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000495731497 316076501 /nfs/dbraw/zinc/07/65/01/316076501.db2.gz SYBRRDPDOVUWCA-CYBMUJFWSA-N -1 0 337.376 2.401 20 5 EEBDRM CNc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000533188802 317902306 /nfs/dbraw/zinc/90/23/06/317902306.db2.gz TUIZKWHRRKDZMZ-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000547810924 318325053 /nfs/dbraw/zinc/32/50/53/318325053.db2.gz PGBWSTYYNDCWOF-INIZCTEOSA-N -1 0 328.324 2.231 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-])cc1C ZINC000548215262 318365859 /nfs/dbraw/zinc/36/58/59/318365859.db2.gz MPZKVSOZIGDXIX-NSHDSACASA-N -1 0 344.389 2.084 20 5 EEBDRM Cc1cc(NCCN2CCOC(C)(C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000564658587 319099150 /nfs/dbraw/zinc/09/91/50/319099150.db2.gz GMMJFNPJFQSBAT-UHFFFAOYSA-N -1 0 337.376 2.124 20 5 EEBDRM C[C@@]1(c2ccccc2)CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000566291175 319269984 /nfs/dbraw/zinc/26/99/84/319269984.db2.gz NAAWSRLQRLXJTL-KRWDZBQOSA-N -1 0 343.339 2.440 20 5 EEBDRM C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000570847311 319704036 /nfs/dbraw/zinc/70/40/36/319704036.db2.gz GMNCSAFKUGVUGH-BDJLRTHQSA-N -1 0 336.344 2.067 20 5 EEBDRM O=C([O-])c1ccc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000574879651 320065743 /nfs/dbraw/zinc/06/57/43/320065743.db2.gz GSUCFOXRUZIPJV-LBPRGKRZSA-N -1 0 328.328 2.467 20 5 EEBDRM CCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000575057423 320083498 /nfs/dbraw/zinc/08/34/98/320083498.db2.gz VZVFTYVCJSABBE-UHFFFAOYSA-N -1 0 330.362 2.020 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000392854034 323550007 /nfs/dbraw/zinc/55/00/07/323550007.db2.gz RNSWCZKCOJSWQX-INIZCTEOSA-N -1 0 331.328 2.071 20 5 EEBDRM O=C([O-])c1ccnc(NCCOCC(F)(F)C(F)F)c1[N+](=O)[O-] ZINC000579479464 323861697 /nfs/dbraw/zinc/86/16/97/323861697.db2.gz XLSQRASSYUSRJL-UHFFFAOYSA-N -1 0 341.217 2.017 20 5 EEBDRM COC(=O)COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000356316013 465309277 /nfs/dbraw/zinc/30/92/77/465309277.db2.gz AJAYJJXHJZZVSY-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM NC(=O)c1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000089530828 462690406 /nfs/dbraw/zinc/69/04/06/462690406.db2.gz GVEAEKXQQYORDG-FPYGCLRLSA-N -1 0 327.296 2.051 20 5 EEBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3cccnc3)ccc2c1 ZINC000156174883 462989987 /nfs/dbraw/zinc/98/99/87/462989987.db2.gz DIDLBBIUYZJUBX-UHFFFAOYSA-N -1 0 330.325 2.339 20 5 EEBDRM CCCn1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000121304844 463113787 /nfs/dbraw/zinc/11/37/87/463113787.db2.gz XVEKGRDKHDUCDW-UHFFFAOYSA-N -1 0 340.361 2.011 20 5 EEBDRM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158091710 463204391 /nfs/dbraw/zinc/20/43/91/463204391.db2.gz DGCQXIFGYASAEV-UHFFFAOYSA-N -1 0 344.302 2.288 20 5 EEBDRM CCCc1[nH]nc(C(=O)[N-]c2nnc(C(F)F)s2)c1[N+](=O)[O-] ZINC000071890352 463457968 /nfs/dbraw/zinc/45/79/68/463457968.db2.gz IUZMOJMKPPTDSQ-UHFFFAOYSA-N -1 0 332.292 2.312 20 5 EEBDRM Cc1noc(C)c1CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000107310100 463564540 /nfs/dbraw/zinc/56/45/40/463564540.db2.gz MJMQECOQROFRKK-UHFFFAOYSA-N -1 0 339.373 2.029 20 5 EEBDRM CCN1CCc2nc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)sc2C1 ZINC000164045196 463614317 /nfs/dbraw/zinc/61/43/17/463614317.db2.gz LMFXPESLFCXKAN-UHFFFAOYSA-N -1 0 348.384 2.387 20 5 EEBDRM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164178603 463617116 /nfs/dbraw/zinc/61/71/16/463617116.db2.gz NSTVGAPBKXZSSQ-UHFFFAOYSA-N -1 0 327.296 2.437 20 5 EEBDRM CC(C)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000185337683 463804040 /nfs/dbraw/zinc/80/40/40/463804040.db2.gz GIYLTQXJPUEOJM-LBPRGKRZSA-N -1 0 328.752 2.406 20 5 EEBDRM Cc1[nH]nc(C(=O)Nc2ccc(Br)cc2[O-])c1[N+](=O)[O-] ZINC000522884774 468378623 /nfs/dbraw/zinc/37/86/23/468378623.db2.gz ZCUGJTGYPWQBHI-UHFFFAOYSA-N -1 0 341.121 2.347 20 5 EEBDRM Cc1ccc(NCCCNC(=O)c2cccc([N+](=O)[O-])c2[O-])nc1 ZINC000178397887 463894025 /nfs/dbraw/zinc/89/40/25/463894025.db2.gz WJZQQEQXFJJQMU-UHFFFAOYSA-N -1 0 330.344 2.236 20 5 EEBDRM Cc1cc([C@@](C)(O)CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)o1 ZINC000269165140 463895567 /nfs/dbraw/zinc/89/55/67/463895567.db2.gz FFUIJSXAIRJSJK-INIZCTEOSA-N -1 0 334.328 2.148 20 5 EEBDRM CCC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262106765 463948133 /nfs/dbraw/zinc/94/81/33/463948133.db2.gz GFCYOVXSGWXWBZ-SECBINFHSA-N -1 0 345.149 2.340 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262782816 464047292 /nfs/dbraw/zinc/04/72/92/464047292.db2.gz LMYPDMONTMXBSB-VIFPVBQESA-N -1 0 347.327 2.174 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000263276611 464076199 /nfs/dbraw/zinc/07/61/99/464076199.db2.gz WTAGXFUOOAVHNO-VIFPVBQESA-N -1 0 334.250 2.347 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000263285794 464077261 /nfs/dbraw/zinc/07/72/61/464077261.db2.gz ZIOWQEZECLCFIV-VHSXEESVSA-N -1 0 329.312 2.078 20 5 EEBDRM C/C=C/C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263315140 464082731 /nfs/dbraw/zinc/08/27/31/464082731.db2.gz YULWADCJDHBZIR-IBUXWKBASA-N -1 0 347.371 2.344 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nnc(C(F)F)s1 ZINC000179220756 464085436 /nfs/dbraw/zinc/08/54/36/464085436.db2.gz YULWLLFABYQUHY-UHFFFAOYSA-N -1 0 336.301 2.185 20 5 EEBDRM C[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000263363825 464091170 /nfs/dbraw/zinc/09/11/70/464091170.db2.gz SPUSTRWMLDPGHT-MDZLAQPJSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCC[C@@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000263568485 464131343 /nfs/dbraw/zinc/13/13/43/464131343.db2.gz HBNHZTNPKIQYFU-AWEZNQCLSA-N -1 0 336.344 2.372 20 5 EEBDRM CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179471283 464141457 /nfs/dbraw/zinc/14/14/57/464141457.db2.gz XQCSVTUEZSBZBA-LBPRGKRZSA-N -1 0 349.387 2.069 20 5 EEBDRM C[S@](=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000179519274 464150574 /nfs/dbraw/zinc/15/05/74/464150574.db2.gz ZEETXLHBVMEKMA-BSEYFRJRSA-N -1 0 348.380 2.150 20 5 EEBDRM Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179547185 464155210 /nfs/dbraw/zinc/15/52/10/464155210.db2.gz GQXUHDFJHXLMFA-LBPRGKRZSA-N -1 0 344.371 2.129 20 5 EEBDRM COCCn1cc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])cn1 ZINC000579715203 468400696 /nfs/dbraw/zinc/40/06/96/468400696.db2.gz SYJBYYDNFIFNTC-UHFFFAOYSA-N -1 0 334.332 2.056 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)c(C)c1 ZINC000180756271 464387995 /nfs/dbraw/zinc/38/79/95/464387995.db2.gz GXDLXELFMJKPDM-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1ccc(CN(CCO)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000180986493 464430171 /nfs/dbraw/zinc/43/01/71/464430171.db2.gz LGYNZTORQCFMMF-UHFFFAOYSA-N -1 0 330.340 2.244 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182094878 464569740 /nfs/dbraw/zinc/56/97/40/464569740.db2.gz MBFWTONCDNIQRM-GFCCVEGCSA-N -1 0 345.359 2.280 20 5 EEBDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000176718146 464832301 /nfs/dbraw/zinc/83/23/01/464832301.db2.gz JZPGMBXHZKRSAJ-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CC[C@H](COCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000295507711 464863471 /nfs/dbraw/zinc/86/34/71/464863471.db2.gz UJMNDXSCOVEDEL-SECBINFHSA-N -1 0 336.266 2.388 20 5 EEBDRM O=C(NCCc1ccc2c[nH]nc2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000356684685 465487505 /nfs/dbraw/zinc/48/75/05/465487505.db2.gz NSYYQDWJWKSZRF-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM COc1ccc(CN(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1O ZINC000356809095 465552563 /nfs/dbraw/zinc/55/25/63/465552563.db2.gz ZGXOVHDJFWTORL-UHFFFAOYSA-N -1 0 332.312 2.287 20 5 EEBDRM CC(C)(C)CC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000362221945 465583119 /nfs/dbraw/zinc/58/31/19/465583119.db2.gz TYPNNOHQUQEPRM-SNVBAGLBSA-N -1 0 344.389 2.153 20 5 EEBDRM C[C@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000362634199 465898877 /nfs/dbraw/zinc/89/88/77/465898877.db2.gz DKKIREXPGZFDPO-NWDGAFQWSA-N -1 0 349.387 2.282 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000357339438 465962597 /nfs/dbraw/zinc/96/25/97/465962597.db2.gz HGEZAMWIXFJVFB-UHFFFAOYSA-N -1 0 325.321 2.492 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000362765106 466009348 /nfs/dbraw/zinc/00/93/48/466009348.db2.gz HSYKJTRAKOLUHV-AWEZNQCLSA-N -1 0 344.323 2.202 20 5 EEBDRM Cc1cn2c(n1)[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)CCC2 ZINC000371828731 466021597 /nfs/dbraw/zinc/02/15/97/466021597.db2.gz LPLVGDHFHIECKK-LBPRGKRZSA-N -1 0 330.344 2.113 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361773689 466275455 /nfs/dbraw/zinc/27/54/55/466275455.db2.gz UPGGEJSEYCLYMN-UHFFFAOYSA-N -1 0 332.288 2.296 20 5 EEBDRM COc1ccc2c(c1)OCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C2 ZINC000338680790 466311267 /nfs/dbraw/zinc/31/12/67/466311267.db2.gz MIJCFNLJJKPRPT-UHFFFAOYSA-N -1 0 344.323 2.344 20 5 EEBDRM O=C([O-])Cc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000347141343 466425390 /nfs/dbraw/zinc/42/53/90/466425390.db2.gz VGCHNNMJVVRTBR-UHFFFAOYSA-N -1 0 329.312 2.273 20 5 EEBDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])c1 ZINC000347319854 466560764 /nfs/dbraw/zinc/56/07/64/466560764.db2.gz XMRRDFQONNISLC-UHFFFAOYSA-N -1 0 327.749 2.174 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000347352929 466585483 /nfs/dbraw/zinc/58/54/83/466585483.db2.gz ONVZYJQXNRNJCD-UHFFFAOYSA-N -1 0 329.337 2.366 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1cnc(C2CC2)o1 ZINC000452030695 467308879 /nfs/dbraw/zinc/30/88/79/467308879.db2.gz OJUPXEHABRVEJP-UHFFFAOYSA-N -1 0 341.320 2.078 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2ccc3c(c2)OCCO3)n1 ZINC000392850639 467428863 /nfs/dbraw/zinc/42/88/63/467428863.db2.gz WUITVMOIDIMEQE-UHFFFAOYSA-N -1 0 345.311 2.114 20 5 EEBDRM COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1OC ZINC000436671880 467550011 /nfs/dbraw/zinc/55/00/11/467550011.db2.gz MCVHTCFHJUZOJY-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436747486 467553429 /nfs/dbraw/zinc/55/34/29/467553429.db2.gz BDTQTASZXKISEI-GFCCVEGCSA-N -1 0 345.330 2.448 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](CO)Cc2ccccc2C)n1 ZINC000515302312 467984036 /nfs/dbraw/zinc/98/40/36/467984036.db2.gz PODBMAHCPQFOGQ-CYBMUJFWSA-N -1 0 345.355 2.320 20 5 EEBDRM CC[C@H](C(=O)[O-])[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000519627810 468184881 /nfs/dbraw/zinc/18/48/81/468184881.db2.gz GCKQNMBQARDAJS-SFDCACGMSA-N -1 0 338.341 2.362 20 5 EEBDRM CO[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])Cc1ccccc1 ZINC000567976961 468246638 /nfs/dbraw/zinc/24/66/38/468246638.db2.gz WNNUEUIZARYYMP-GFCCVEGCSA-N -1 0 331.328 2.358 20 5 EEBDRM COCCOc1cccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000582609179 468565956 /nfs/dbraw/zinc/56/59/56/468565956.db2.gz IJWWRIXIINAQFC-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000583140822 468650675 /nfs/dbraw/zinc/65/06/75/468650675.db2.gz OGDNSNSIPFHWAS-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC[C@@H]([C@@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000594736621 468669238 /nfs/dbraw/zinc/66/92/38/468669238.db2.gz TWMDQNNOHMZAQW-YPMHNXCESA-N -1 0 335.360 2.474 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000600872790 468672313 /nfs/dbraw/zinc/67/23/13/468672313.db2.gz KJELYDZHBITHPY-UHFFFAOYSA-N -1 0 333.344 2.005 20 5 EEBDRM CC[C@]1(CO)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592791759 468787612 /nfs/dbraw/zinc/78/76/12/468787612.db2.gz YTSQVMIDVUGXSG-CQSZACIVSA-N -1 0 328.752 2.331 20 5 EEBDRM CO[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC000595248218 468792717 /nfs/dbraw/zinc/79/27/17/468792717.db2.gz SGEREMVIEXTVEX-CQSZACIVSA-N -1 0 336.344 2.228 20 5 EEBDRM COc1cc(OCC(=O)Nc2ccccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000614539122 468967694 /nfs/dbraw/zinc/96/76/94/468967694.db2.gz FFRCIADHEQNQID-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM CCC[C@@](C)(NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC000598734413 468979111 /nfs/dbraw/zinc/97/91/11/468979111.db2.gz LSFZVHGAVRENFV-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])CN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000611463508 469254115 /nfs/dbraw/zinc/25/41/15/469254115.db2.gz DKECTYCARQMOEG-UHFFFAOYSA-N -1 0 336.344 2.220 20 5 EEBDRM O=C([O-])CCCOc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000565039485 469265675 /nfs/dbraw/zinc/26/56/75/469265675.db2.gz BSEUJPAFXRLDEL-UHFFFAOYSA-N -1 0 337.357 2.907 20 5 EEBDRM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000611508698 469267359 /nfs/dbraw/zinc/26/73/59/469267359.db2.gz OKXIZVNNPVCBGC-SMDDNHRTSA-N -1 0 330.340 2.195 20 5 EEBDRM O=C([O-])c1cc(N2CCN(c3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000603824705 469434399 /nfs/dbraw/zinc/43/43/99/469434399.db2.gz SYISGADOAAOXHA-UHFFFAOYSA-N -1 0 343.339 2.325 20 5 EEBDRM O=C1NCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccccc1F ZINC000612403961 469457252 /nfs/dbraw/zinc/45/72/52/469457252.db2.gz HOMJKNDHOPBJSK-INIZCTEOSA-N -1 0 345.330 2.113 20 5 EEBDRM O=C(Nc1ccc(F)c(-c2nnc[nH]2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000619253366 469559473 /nfs/dbraw/zinc/55/94/73/469559473.db2.gz YWRDITNFGMUTOL-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM NC(=O)c1cccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)c1 ZINC000618398654 469983212 /nfs/dbraw/zinc/98/32/12/469983212.db2.gz BSONKESOUBDNLN-UHFFFAOYSA-N -1 0 326.268 2.116 20 5 EEBDRM Cc1noc([C@H]2CCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)n1 ZINC000164314614 534477451 /nfs/dbraw/zinc/47/74/51/534477451.db2.gz VWAHQHSJOXMTRR-NSHDSACASA-N -1 0 332.316 2.012 20 5 EEBDRM CC(C)(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000263099813 535032511 /nfs/dbraw/zinc/03/25/11/535032511.db2.gz TZWRHLDTMILTSR-UHFFFAOYSA-N -1 0 328.752 2.408 20 5 EEBDRM Cc1nc(=O)[nH]c(SCC(=O)c2cccc([N+](=O)[O-])c2)c1C(=O)[O-] ZINC000738230865 578004882 /nfs/dbraw/zinc/00/48/82/578004882.db2.gz SNDYPNGRJUIDQF-UHFFFAOYSA-N -1 0 349.324 2.072 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000739369870 576009319 /nfs/dbraw/zinc/00/93/19/576009319.db2.gz AOFQDTBRZHYXBR-LLVKDONJSA-N -1 0 342.279 2.490 20 5 EEBDRM Cc1cc(NC(=O)CCCNC(=O)[O-])n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738420667 576415946 /nfs/dbraw/zinc/41/59/46/576415946.db2.gz GUZLPOFAILGMET-UHFFFAOYSA-N -1 0 347.331 2.075 20 5 EEBDRM Cc1[nH]c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC000738156718 576673338 /nfs/dbraw/zinc/67/33/38/576673338.db2.gz TVFFTNGXZJLXGQ-UHFFFAOYSA-N -1 0 329.312 2.441 20 5 EEBDRM O=C([O-])c1cccc(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000738690213 577107833 /nfs/dbraw/zinc/10/78/33/577107833.db2.gz DLIOWMHYHYQAIH-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000734738135 577323623 /nfs/dbraw/zinc/32/36/23/577323623.db2.gz YZIKXSOXWWHOAV-JTQLQIEISA-N -1 0 328.390 2.390 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CC2(C)CC2)cc([N+](=O)[O-])c1C ZINC000759397302 577642143 /nfs/dbraw/zinc/64/21/43/577642143.db2.gz UKEYCZNYMSHMNE-UHFFFAOYSA-N -1 0 326.374 2.207 20 5 EEBDRM O=C([O-])c1ccnc(NCCc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000738692735 578023958 /nfs/dbraw/zinc/02/39/58/578023958.db2.gz IJNMTPPHVRVQLV-UHFFFAOYSA-N -1 0 331.284 2.071 20 5 EEBDRM O=C([O-])c1ccnc(Sc2nnc(NC3CC3)s2)c1[N+](=O)[O-] ZINC000738695218 578024078 /nfs/dbraw/zinc/02/40/78/578024078.db2.gz FOKQUQJUJBPACY-UHFFFAOYSA-N -1 0 339.358 2.265 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000739369417 578050670 /nfs/dbraw/zinc/05/06/70/578050670.db2.gz RJIKYYVWVNPFIE-CYBMUJFWSA-N -1 0 336.250 2.429 20 5 EEBDRM O=C([O-])[C@H]1C[C@H]1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000739554978 578058191 /nfs/dbraw/zinc/05/81/91/578058191.db2.gz CSEOHUFNDSWLOA-NWDGAFQWSA-N -1 0 332.268 2.014 20 5 EEBDRM O=C([O-])CCCc1nc(COc2ccc(F)cc2[N+](=O)[O-])no1 ZINC000739703268 578064772 /nfs/dbraw/zinc/06/47/72/578064772.db2.gz USANUIQCOVJRNP-UHFFFAOYSA-N -1 0 325.252 2.103 20 5 EEBDRM O=C([O-])c1c[nH]c(=O)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000740068972 578079547 /nfs/dbraw/zinc/07/95/47/578079547.db2.gz PYTSOJZZUUBQPF-UHFFFAOYSA-N -1 0 337.675 2.299 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H]1CCCC[C@@H]1O ZINC000740096638 578080675 /nfs/dbraw/zinc/08/06/75/578080675.db2.gz NYAUUWLEAHKUOB-UFBFGSQYSA-N -1 0 339.304 2.164 20 5 EEBDRM O=C([O-])c1ccc(-c2nnn(Cc3cc(F)ccc3[N+](=O)[O-])n2)cc1 ZINC000740099327 578080804 /nfs/dbraw/zinc/08/08/04/578080804.db2.gz HBJILLKHWWUXEU-UHFFFAOYSA-N -1 0 343.274 2.134 20 5 EEBDRM O=C([N-]N1C(=O)c2ccccc2C1=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000735990764 578176557 /nfs/dbraw/zinc/17/65/57/578176557.db2.gz MRBNDVCKPIITKX-UHFFFAOYSA-N -1 0 345.698 2.189 20 5 EEBDRM C[C@H]([C@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])N1CCOCC1 ZINC000736674286 578217228 /nfs/dbraw/zinc/21/72/28/578217228.db2.gz XFMGXQJTMVZHRZ-DRKGASSASA-N -1 0 349.387 2.214 20 5 EEBDRM CCc1[nH]c(C(=O)NCCc2ccccc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC000737243205 578245488 /nfs/dbraw/zinc/24/54/88/578245488.db2.gz BYAGFBIMEGMVML-UHFFFAOYSA-N -1 0 345.355 2.464 20 5 EEBDRM CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737324736 578250533 /nfs/dbraw/zinc/25/05/33/578250533.db2.gz CJJLOGQJWSMQTA-MRXNPFEDSA-N -1 0 328.324 2.422 20 5 EEBDRM O=C([O-])C1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000238074124 597036777 /nfs/dbraw/zinc/03/67/77/597036777.db2.gz NQXMUPCLZDTJSW-UHFFFAOYSA-N -1 0 335.360 2.301 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000818778444 597067701 /nfs/dbraw/zinc/06/77/01/597067701.db2.gz IRCQEQUDMRJZHG-JTQLQIEISA-N -1 0 339.304 2.041 20 5 EEBDRM Cc1cc(C)c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000832872454 600974720 /nfs/dbraw/zinc/97/47/20/600974720.db2.gz VNFQKSVEYYTTQQ-UHFFFAOYSA-N -1 0 331.284 2.263 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000013073987 601203254 /nfs/dbraw/zinc/20/32/54/601203254.db2.gz JKEKDDXVBVSLHD-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)COc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000828729236 601347181 /nfs/dbraw/zinc/34/71/81/601347181.db2.gz PSFHSTYNHUOJFF-OQPBUACISA-N -1 0 344.751 2.243 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000828628395 601463377 /nfs/dbraw/zinc/46/33/77/601463377.db2.gz MLBDHAKRBLLULF-CQSZACIVSA-N -1 0 326.374 2.447 20 5 EEBDRM CCOc1ccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc1 ZINC000830074939 601602538 /nfs/dbraw/zinc/60/25/38/601602538.db2.gz ALCRBODUKXRGOI-UHFFFAOYSA-N -1 0 346.295 2.444 20 5 EEBDRM O=C([O-])C[C@@H](O)CSc1ccc(Br)cc1[N+](=O)[O-] ZINC000833265090 601810932 /nfs/dbraw/zinc/81/09/32/601810932.db2.gz SKSODLMUIVNUTG-SSDOTTSWSA-N -1 0 336.163 2.285 20 5 EEBDRM CCCC1(CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829245344 601861918 /nfs/dbraw/zinc/86/19/18/601861918.db2.gz IKBPGOQDZJQOEL-UHFFFAOYSA-N -1 0 335.360 2.401 20 5 EEBDRM NC(=O)[C@@H]1CCCC[C@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000833078775 602239863 /nfs/dbraw/zinc/23/98/63/602239863.db2.gz AIRPDJGABSXKGH-RQDOONKYSA-N -1 0 333.344 2.149 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCC(=O)NC2CCCC2)cc1Cl ZINC000833110338 602253522 /nfs/dbraw/zinc/25/35/22/602253522.db2.gz JBIFPPBBFGXQNX-UHFFFAOYSA-N -1 0 341.751 2.417 20 5 EEBDRM CCN1CCO[C@@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829785965 604265427 /nfs/dbraw/zinc/26/54/27/604265427.db2.gz GMXFVJVLRWGLFD-VIFPVBQESA-N -1 0 343.767 2.079 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCOC[C@@H]2CCOC2)cc1Cl ZINC000833307016 604266552 /nfs/dbraw/zinc/26/65/52/604266552.db2.gz ITQKSYQQOQTRHZ-SECBINFHSA-N -1 0 344.751 2.411 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCCc2ccccn2)cc([N+](=O)[O-])c1 ZINC000833298387 604590176 /nfs/dbraw/zinc/59/01/76/604590176.db2.gz SOYHVVNXHAPOPZ-UHFFFAOYSA-N -1 0 329.312 2.051 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C(=O)[O-])CCC1 ZINC000833540707 604886516 /nfs/dbraw/zinc/88/65/16/604886516.db2.gz VJVIATCGYFGSLB-MRVPVSSYSA-N -1 0 342.735 2.139 20 5 EEBDRM CC1=C(C(=O)[O-])[C@@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1CC1CC1 ZINC000833579095 605162186 /nfs/dbraw/zinc/16/21/86/605162186.db2.gz XMTFEAQUVRCXKE-GFCCVEGCSA-N -1 0 337.357 2.491 20 5 EEBDRM COCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000820723533 605239586 /nfs/dbraw/zinc/23/95/86/605239586.db2.gz OUGRDFSSXQBVTA-UHFFFAOYSA-N -1 0 331.328 2.194 20 5 EEBDRM C/C(=C\C(=O)N(CC(=O)[O-])C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000833381767 605351707 /nfs/dbraw/zinc/35/17/07/605351707.db2.gz IXDNLJKNVXWKMO-ZRDIBKRKSA-N -1 0 348.355 2.090 20 5 EEBDRM CC1(C)C(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000177584881 675919680 /nfs/dbraw/zinc/91/96/80/675919680.db2.gz DWWARKLNROBRKW-UHFFFAOYSA-N -1 0 326.374 2.082 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C2CC2)cc([N+](=O)[O-])c1C ZINC000176077681 676849983 /nfs/dbraw/zinc/84/99/83/676849983.db2.gz HZWIEPQXUVLYLK-OLZOCXBDSA-N -1 0 338.385 2.063 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cncc(Cl)n1 ZINC000185923319 685373226 /nfs/dbraw/zinc/37/32/26/685373226.db2.gz OOQRTKZYMINKKD-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cncc(Cl)n1 ZINC000185922753 685372579 /nfs/dbraw/zinc/37/25/79/685372579.db2.gz OKZHPIDHFDJTLS-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1F ZINC000914729203 683953606 /nfs/dbraw/zinc/95/36/06/683953606.db2.gz LXGMLRXHWJBMFO-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM C[C@@H](CN(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000263176133 689433008 /nfs/dbraw/zinc/43/30/08/689433008.db2.gz DRCALRBNUBTWPX-LBPRGKRZSA-N -1 0 337.376 2.280 20 5 EEBDRM O=C([N-]S(=O)(=O)C1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842318551 1188616113 /nfs/dbraw/zinc/61/61/13/1188616113.db2.gz IWWBTFMALASVDV-UONOGXRCSA-N -1 0 338.385 2.087 20 5 EEBDRM COC(=O)c1cnc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)cn1 ZINC000813241940 1201179685 /nfs/dbraw/zinc/17/96/85/1201179685.db2.gz HYVJWISZKSDOSU-UHFFFAOYSA-N -1 0 336.691 2.077 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000866283250 1201483443 /nfs/dbraw/zinc/48/34/43/1201483443.db2.gz SSTIKIBSRLXNOR-ZDUSSCGKSA-N -1 0 347.293 2.251 20 5 EEBDRM O=C([N-]CC1CN(c2cc(Cl)ccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000866294089 1201486338 /nfs/dbraw/zinc/48/63/38/1201486338.db2.gz KOXUYNCMLNZUOZ-UHFFFAOYSA-N -1 0 337.685 2.363 20 5 EEBDRM Cc1cncc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)c1 ZINC000131912930 1202070784 /nfs/dbraw/zinc/07/07/84/1202070784.db2.gz UMMWRJCCMBBFTP-UHFFFAOYSA-N -1 0 349.368 2.034 20 5 EEBDRM O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779674716 1210751099 /nfs/dbraw/zinc/75/10/99/1210751099.db2.gz LIBLSIYEWSICLW-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000195299259 1211374348 /nfs/dbraw/zinc/37/43/48/1211374348.db2.gz FOOGYFKQBJYVID-UHFFFAOYSA-N -1 0 326.374 2.235 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC001226015885 1301233839 /nfs/dbraw/zinc/23/38/39/1301233839.db2.gz PQTSQDGSZSCRSF-LLVKDONJSA-N -1 0 345.311 2.333 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1[n-]c(=O)nc2ccc(F)cc21 ZINC001226409811 1301396912 /nfs/dbraw/zinc/39/69/12/1301396912.db2.gz VZYCNPKEBJSELJ-MRVPVSSYSA-N -1 0 347.306 2.355 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(OC2CCCCCCC2)c1[N+](=O)[O-] ZINC001226650046 1301493561 /nfs/dbraw/zinc/49/35/61/1301493561.db2.gz OEUKBYOPAIOWCF-UHFFFAOYSA-N -1 0 325.321 2.369 20 5 EEBDRM CCC[C@H](Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-])C(C)(C)C ZINC001226653636 1301495659 /nfs/dbraw/zinc/49/56/59/1301495659.db2.gz XBXHQIAUZSRQSQ-QMMMGPOBSA-N -1 0 327.337 2.471 20 5 EEBDRM Cn1c(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc2cc(F)ccc21 ZINC000780500943 1303673291 /nfs/dbraw/zinc/67/32/91/1303673291.db2.gz OLZIOYWETAGDSH-UHFFFAOYSA-N -1 0 344.302 2.256 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1CC(C)(C)C1 ZINC000796828709 1304583937 /nfs/dbraw/zinc/58/39/37/1304583937.db2.gz SSTWRPINASMKDB-UHFFFAOYSA-N -1 0 326.374 2.144 20 5 EEBDRM COC(=O)c1n[n-]c(C(=O)OC)c1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001234188883 1304789726 /nfs/dbraw/zinc/78/97/26/1304789726.db2.gz GYOHIGSPLNTDOX-MRVPVSSYSA-N -1 0 349.299 2.031 20 5 EEBDRM Cc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC000798228374 1304954213 /nfs/dbraw/zinc/95/42/13/1304954213.db2.gz JHLTUVWFXXUJES-UHFFFAOYSA-N -1 0 349.727 2.162 20 5 EEBDRM CCn1nc(C)c([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])c1C ZINC001116852259 1305924152 /nfs/dbraw/zinc/92/41/52/1305924152.db2.gz KDIGHNOUWBHDFA-UHFFFAOYSA-N -1 0 330.391 2.290 20 5 EEBDRM CCCC(=O)N1CCC[C@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837486268 1315086724 /nfs/dbraw/zinc/08/67/24/1315086724.db2.gz WRAPDZSRSAJSCT-AWEZNQCLSA-N -1 0 336.344 2.135 20 5 EEBDRM CCOC(=O)c1snc(C(N)=O)c1[N-]c1ccccc1[N+](=O)[O-] ZINC001206144398 1323404472 /nfs/dbraw/zinc/40/44/72/1323404472.db2.gz KBPIAVNNFBHHDA-UHFFFAOYSA-N -1 0 336.329 2.071 20 5 EEBDRM O=C([O-])[C@H]1CCc2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc2C1 ZINC001608525919 1351710016 /nfs/dbraw/zinc/71/00/16/1351710016.db2.gz KHVOMAWQAKWOIF-LURJTMIESA-N -1 0 337.313 2.086 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC001601281520 1350248053 /nfs/dbraw/zinc/24/80/53/1350248053.db2.gz CZCWRZRQVNCKQQ-ZDUSSCGKSA-N -1 0 343.719 2.424 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)NCCSCC(=O)[O-])cc1Cl ZINC001607709298 1351544063 /nfs/dbraw/zinc/54/40/63/1351544063.db2.gz XITYBSSXRBRQDM-UHFFFAOYSA-N -1 0 332.765 2.104 20 5 EEBDRM O=C([O-])C1(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001608566926 1351717430 /nfs/dbraw/zinc/71/74/30/1351717430.db2.gz DPKQSSRXKQBMKF-UHFFFAOYSA-N -1 0 344.117 2.265 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001608805810 1351767814 /nfs/dbraw/zinc/76/78/14/1351767814.db2.gz KYZIUNCSHXTBSA-APPZFPTMSA-N -1 0 349.748 2.210 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001608811268 1351769529 /nfs/dbraw/zinc/76/95/29/1351769529.db2.gz FFMXKZHUIOFHQO-UMVBOHGHSA-N -1 0 347.371 2.205 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H](Cc3nccs3)C2)n1 ZINC001608914764 1351793087 /nfs/dbraw/zinc/79/30/87/1351793087.db2.gz IXKXAAXTLIJJRN-SECBINFHSA-N -1 0 334.357 2.214 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2ccccc21 ZINC001608916030 1351793329 /nfs/dbraw/zinc/79/33/29/1351793329.db2.gz DGRWLUGVCQTBDD-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)c2cnn(C3CC3)c2)c1 ZINC001608915036 1351793475 /nfs/dbraw/zinc/79/34/75/1351793475.db2.gz ZVFMUIBGPUUKSP-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ncnn2-c2ccccc2)c1 ZINC001608915529 1351793523 /nfs/dbraw/zinc/79/35/23/1351793523.db2.gz AMLPUJQAZIUXIO-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001319414339 1332697589 /nfs/dbraw/zinc/69/75/89/1332697589.db2.gz BPHLABVIDCZOBT-JTQLQIEISA-N -1 0 346.430 2.322 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC001609011342 1351813775 /nfs/dbraw/zinc/81/37/75/1351813775.db2.gz RWKISVGTSMPXHT-JTQLQIEISA-N -1 0 344.117 2.377 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001609028747 1351818958 /nfs/dbraw/zinc/81/89/58/1351818958.db2.gz KSJBRTZVBPXDHK-DIFFPNOSSA-N -1 0 345.355 2.248 20 5 EEBDRM COC(=O)[C@@](C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001324488429 1333693729 /nfs/dbraw/zinc/69/37/29/1333693729.db2.gz KKCQISJFNWYYTD-KRWDZBQOSA-N -1 0 330.340 2.478 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2C)ccc1[N+](=O)[O-] ZINC001339124139 1336962805 /nfs/dbraw/zinc/96/28/05/1336962805.db2.gz AHXUTQUECPPXBN-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CCN(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC001609988834 1352135378 /nfs/dbraw/zinc/13/53/78/1352135378.db2.gz DEBOWIJZCSNRTH-LLVKDONJSA-N -1 0 337.332 2.244 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001610205383 1352185425 /nfs/dbraw/zinc/18/54/25/1352185425.db2.gz BAQBYCVCHDAMRK-ZDUSSCGKSA-N -1 0 346.698 2.038 20 5 EEBDRM COC[C@@H]1CCCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001610250917 1352194244 /nfs/dbraw/zinc/19/42/44/1352194244.db2.gz ZPIWBATYNHDTCN-LLVKDONJSA-N -1 0 336.344 2.182 20 5 EEBDRM COc1c(C(=O)Oc2ccc(CC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC001610275987 1352198397 /nfs/dbraw/zinc/19/83/97/1352198397.db2.gz SLQKFVBFBIUOBE-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM COc1cccc(C(=O)[O-])c1OC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001610352748 1352209289 /nfs/dbraw/zinc/20/92/89/1352209289.db2.gz PYJYMLGPDBYNSW-ZDUSSCGKSA-N -1 0 333.296 2.414 20 5 EEBDRM Cc1[nH]c(C(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)c1C(=O)[O-] ZINC001610399727 1352216898 /nfs/dbraw/zinc/21/68/98/1352216898.db2.gz TTXJGHQRPCONRA-UHFFFAOYSA-N -1 0 331.328 2.476 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@]3(CCCO3)[C@H]2C2CC2)n1 ZINC001610438654 1352222248 /nfs/dbraw/zinc/22/22/48/1352222248.db2.gz PPXDTHQSAIEMIZ-CJNGLKHVSA-N -1 0 333.344 2.144 20 5 EEBDRM Cc1cc(Cl)c(C(=O)OCC(=O)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC001610462604 1352227068 /nfs/dbraw/zinc/22/70/68/1352227068.db2.gz OIPXXSLECSOJLB-UHFFFAOYSA-N -1 0 329.692 2.147 20 5 EEBDRM Cc1cnc(COC(=O)c2cc(C(=O)[O-])ccn2)c(C)c1[N+](=O)[O-] ZINC001610539627 1352241486 /nfs/dbraw/zinc/24/14/86/1352241486.db2.gz JWONGWJYTKOVNX-UHFFFAOYSA-N -1 0 331.284 2.057 20 5 EEBDRM Cc1cnc(COC(=O)c2cncc(C(=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC001610539778 1352241745 /nfs/dbraw/zinc/24/17/45/1352241745.db2.gz NKUAQALQVAZRBT-UHFFFAOYSA-N -1 0 331.284 2.057 20 5 EEBDRM Cc1nc(C(=O)[O-])cn1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001610552757 1352243947 /nfs/dbraw/zinc/24/39/47/1352243947.db2.gz ZXCBSVMDMRYCQQ-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1cc(C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600089709 1349969031 /nfs/dbraw/zinc/96/90/31/1349969031.db2.gz FQXNLKKCEPMDGK-CQSZACIVSA-N -1 0 344.323 2.035 20 5 EEBDRM Cc1cc(NC(=O)c2cc(C(=O)[O-])co2)c2cc([N+](=O)[O-])ccc2n1 ZINC001600273488 1350008086 /nfs/dbraw/zinc/00/80/86/1350008086.db2.gz RXDGDKYDFMQWFA-UHFFFAOYSA-N -1 0 341.279 2.417 20 5 EEBDRM Cc1cc(N[C@H]2CCN(CC(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600278474 1350009552 /nfs/dbraw/zinc/00/95/52/1350009552.db2.gz STAMOQMGQWWLFR-VIFPVBQESA-N -1 0 329.303 2.353 20 5 EEBDRM Cc1ccc(Cl)c(C(=O)[O-])c1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001600424116 1350047717 /nfs/dbraw/zinc/04/77/17/1350047717.db2.gz SISHAZUEZLDLDI-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC(CC(=O)[O-])C2)c1 ZINC001600487734 1350063362 /nfs/dbraw/zinc/06/33/62/1350063362.db2.gz OTFZSIYMNKUDPB-UHFFFAOYSA-N -1 0 336.344 2.042 20 5 EEBDRM Nc1ccc(C(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001601214909 1350233121 /nfs/dbraw/zinc/23/31/21/1350233121.db2.gz PIOUVSQJIOPPDW-CQSZACIVSA-N -1 0 348.286 2.169 20 5 EEBDRM O=C(/C=C/c1cc(C(=O)[O-])co1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001601233685 1350237670 /nfs/dbraw/zinc/23/76/70/1350237670.db2.gz NSKVWEBDIGJQSD-AATRIKPKSA-N -1 0 345.311 2.128 20 5 EEBDRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001601237299 1350238798 /nfs/dbraw/zinc/23/87/98/1350238798.db2.gz PZQKWKXUBGMXQZ-SOFGYWHQSA-N -1 0 346.295 2.094 20 5 EEBDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC001601241278 1350239699 /nfs/dbraw/zinc/23/96/99/1350239699.db2.gz VRTQPDASTJDBSE-ZZXKWVIFSA-N -1 0 329.268 2.046 20 5 EEBDRM O=C([O-])c1sccc1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001601344407 1350262450 /nfs/dbraw/zinc/26/24/50/1350262450.db2.gz IUTWWUNOCQSMAD-UHFFFAOYSA-N -1 0 337.309 2.477 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001601349371 1350263264 /nfs/dbraw/zinc/26/32/64/1350263264.db2.gz FVAGZICXONHJSR-AWEZNQCLSA-N -1 0 347.352 2.024 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccccc1)OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001601366820 1350267919 /nfs/dbraw/zinc/26/79/19/1350267919.db2.gz SRGAQTIRGAPKPA-OAHLLOKOSA-N -1 0 329.308 2.376 20 5 EEBDRM O=C([O-])c1ncccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001601386531 1350271834 /nfs/dbraw/zinc/27/18/34/1350271834.db2.gz CBYBGFUUZIRPIB-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC001601391537 1350272301 /nfs/dbraw/zinc/27/23/01/1350272301.db2.gz OVWDYSPAPSKCPQ-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM O=C([O-])[C@H](CCF)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001601415101 1350279588 /nfs/dbraw/zinc/27/95/88/1350279588.db2.gz VLXJOPFKWKUMBC-VIFPVBQESA-N -1 0 338.213 2.156 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001601529129 1350301241 /nfs/dbraw/zinc/30/12/41/1350301241.db2.gz KQRGIYKNMHAIGE-MWLCHTKSSA-N -1 0 347.352 2.169 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC001601575968 1350310649 /nfs/dbraw/zinc/31/06/49/1350310649.db2.gz DILSLLZZZLSZHK-CCCLYZFWSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001601689174 1350338206 /nfs/dbraw/zinc/33/82/06/1350338206.db2.gz JRHMYXAMTHKDTC-BBBLOLIVSA-N -1 0 333.218 2.040 20 5 EEBDRM O=C([O-])C1=NO[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC001601744991 1350353662 /nfs/dbraw/zinc/35/36/62/1350353662.db2.gz UPRHSMKFDJQHCA-ZDUSSCGKSA-N -1 0 325.708 2.058 20 5 EEBDRM O=C([O-])C1CC2(C1)C[C@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])CCS2 ZINC001601787945 1350364731 /nfs/dbraw/zinc/36/47/31/1350364731.db2.gz FUZFVJMXTIGEQY-ZYTOWTHASA-N -1 0 339.373 2.236 20 5 EEBDRM O=C([O-])CC1(COC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC001601920232 1350397669 /nfs/dbraw/zinc/39/76/69/1350397669.db2.gz NTIXUXKPRHPCFQ-UHFFFAOYSA-N -1 0 332.312 2.417 20 5 EEBDRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001602170984 1350457043 /nfs/dbraw/zinc/45/70/43/1350457043.db2.gz KGTLLRJKRXYNFH-QMMMGPOBSA-N -1 0 334.662 2.183 20 5 EEBDRM O=C([O-])c1c(Cl)c(NCCN2CCSCC2)ccc1[N+](=O)[O-] ZINC001602232156 1350471781 /nfs/dbraw/zinc/47/17/81/1350471781.db2.gz DOGNMHSBUYGALD-UHFFFAOYSA-N -1 0 345.808 2.407 20 5 EEBDRM O=C([O-])c1cc(C(=O)NOCCCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC001602247622 1350475765 /nfs/dbraw/zinc/47/57/65/1350475765.db2.gz ZYWPANWBFLLUIZ-UHFFFAOYSA-N -1 0 336.222 2.297 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CCc2ncncc2C1 ZINC001602298339 1350487750 /nfs/dbraw/zinc/48/77/50/1350487750.db2.gz BFGUJUGDIINCLX-UHFFFAOYSA-N -1 0 334.719 2.299 20 5 EEBDRM O=C([O-])c1ccc(CC(=O)N2CCCc3c([N+](=O)[O-])cccc32)cn1 ZINC001602332143 1350496013 /nfs/dbraw/zinc/49/60/13/1350496013.db2.gz HPTDPJRCLRLNKT-UHFFFAOYSA-N -1 0 341.323 2.210 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001602420644 1350515548 /nfs/dbraw/zinc/51/55/48/1350515548.db2.gz BARWHQZADOSMSW-MRXNPFEDSA-N -1 0 328.324 2.342 20 5 EEBDRM O=C([O-])c1ccccc1CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC001602467055 1350525803 /nfs/dbraw/zinc/52/58/03/1350525803.db2.gz SIKQLOJBXXYZRC-UHFFFAOYSA-N -1 0 340.291 2.132 20 5 EEBDRM O=C([O-])c1cnc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC001602523039 1350538026 /nfs/dbraw/zinc/53/80/26/1350538026.db2.gz UJZRZOCGFYBBDE-UHFFFAOYSA-N -1 0 341.732 2.333 20 5 EEBDRM O=C([O-])c1cnc(NCc2ccnc(OCC3CC3)c2)c([N+](=O)[O-])c1 ZINC001602534127 1350540811 /nfs/dbraw/zinc/54/08/11/1350540811.db2.gz YTTWDQKOIVLMLK-UHFFFAOYSA-N -1 0 344.327 2.484 20 5 EEBDRM O=C([O-])c1coc(C(=O)COc2ccc([N+](=O)[O-])c(F)c2F)c1 ZINC001602548466 1350543636 /nfs/dbraw/zinc/54/36/36/1350543636.db2.gz WTGLMXWHQBVBMS-UHFFFAOYSA-N -1 0 327.195 2.426 20 5 EEBDRM C[C@H](C(=O)Nc1cccc(CC(=O)[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC001603181239 1350657703 /nfs/dbraw/zinc/65/77/03/1350657703.db2.gz QICWVRREEMDFOH-JTQLQIEISA-N -1 0 329.312 2.359 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC001603732672 1350753485 /nfs/dbraw/zinc/75/34/85/1350753485.db2.gz JCNFQCBXTSZTLX-CQSZACIVSA-N -1 0 346.343 2.154 20 5 EEBDRM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccn1 ZINC001604346729 1350920870 /nfs/dbraw/zinc/92/08/70/1350920870.db2.gz OGZOFDWCROVTFX-LLVKDONJSA-N -1 0 331.328 2.304 20 5 EEBDRM C[C@](NCc1cn(C2CC2)cn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604349286 1350921671 /nfs/dbraw/zinc/92/16/71/1350921671.db2.gz RLXLDYFSTVNRHS-MRXNPFEDSA-N -1 0 330.344 2.216 20 5 EEBDRM C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)C(=O)[O-] ZINC001604410162 1350932465 /nfs/dbraw/zinc/93/24/65/1350932465.db2.gz ZBSPZXVIEWNCFU-BYPYZUCNSA-N -1 0 336.083 2.101 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001604449704 1350940094 /nfs/dbraw/zinc/94/00/94/1350940094.db2.gz DVXNJFSZESKTTD-PTRXPTGYSA-N -1 0 342.348 2.099 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604937132 1351035188 /nfs/dbraw/zinc/03/51/88/1351035188.db2.gz PZXUSVJOWGJLKB-RDDDGLTNSA-N -1 0 346.286 2.425 20 5 EEBDRM CO[C@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001606732614 1351348722 /nfs/dbraw/zinc/34/87/22/1351348722.db2.gz GWAQDXSJFPFJBR-QWRGUYRKSA-N -1 0 337.332 2.290 20 5 EEBDRM COc1ccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc1 ZINC001607260783 1351460945 /nfs/dbraw/zinc/46/09/45/1351460945.db2.gz MQHURKJQYYKNJC-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1ccc(OCCOc2cccnc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001607282284 1351464638 /nfs/dbraw/zinc/46/46/38/1351464638.db2.gz OBQVYQVSGLAGCV-UHFFFAOYSA-N -1 0 334.284 2.154 20 5 EEBDRM Cc1[nH]nc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001607500561 1351506123 /nfs/dbraw/zinc/50/61/23/1351506123.db2.gz RQAKHFAEBMLUEB-QMMMGPOBSA-N -1 0 332.316 2.142 20 5 EEBDRM Cc1c(Nc2ccc([N+](=O)[O-])c3cnccc23)cnn1CC(=O)[O-] ZINC001607554508 1351515105 /nfs/dbraw/zinc/51/51/05/1351515105.db2.gz SWYLSIOWHDLJCP-UHFFFAOYSA-N -1 0 327.300 2.476 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)OCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC001607555494 1351515137 /nfs/dbraw/zinc/51/51/37/1351515137.db2.gz XDKLNKBIEWJOMA-UHFFFAOYSA-N -1 0 326.261 2.223 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1[N+](=O)[O-] ZINC001607654678 1351533834 /nfs/dbraw/zinc/53/38/34/1351533834.db2.gz CDYONCYMQDTERT-ZDUSSCGKSA-N -1 0 344.776 2.247 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001607710359 1351544442 /nfs/dbraw/zinc/54/44/42/1351544442.db2.gz WZPIXBRJLORIOP-KGLIPLIRSA-N -1 0 341.323 2.341 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C(=O)[O-])c[nH]1 ZINC001607826283 1351566157 /nfs/dbraw/zinc/56/61/57/1351566157.db2.gz KWIDQBHBFOTJQY-UHFFFAOYSA-N -1 0 336.329 2.055 20 5 EEBDRM Nc1c(Cl)cc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC001608267820 1351659244 /nfs/dbraw/zinc/65/92/44/1351659244.db2.gz PTEPMHKXJFCLTD-OIBJUYFYSA-N -1 0 341.751 2.204 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)CCOc2cccc([N+](=O)[O-])c2)nc1 ZINC001608312418 1351668945 /nfs/dbraw/zinc/66/89/45/1351668945.db2.gz INNBVBHNVCVIPW-UHFFFAOYSA-N -1 0 346.295 2.200 20 5 EEBDRM CNC(=O)[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001606262271 1404778000 /nfs/dbraw/zinc/77/80/00/1404778000.db2.gz UKYCRVYNTAYICL-JGVFFNPUSA-N -1 0 341.751 2.273 20 5 EEBDRM C[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1nncn1C ZINC000844217216 788907399 /nfs/dbraw/zinc/90/73/99/788907399.db2.gz JHDXAHVCAWOFAB-RWCYGVJQSA-N -1 0 331.332 2.037 20 5 EEBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000844218318 788908857 /nfs/dbraw/zinc/90/88/57/788908857.db2.gz KOHUSPAEPWNQSU-LBPRGKRZSA-N -1 0 344.249 2.086 20 5 EEBDRM CCC(=O)c1ccc(N2CCSC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000844218429 788909049 /nfs/dbraw/zinc/90/90/49/788909049.db2.gz NUZVHDGKSBLCNE-LLVKDONJSA-N -1 0 338.385 2.442 20 5 EEBDRM COc1nc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C)c(OC)n1 ZINC001174503874 797785076 /nfs/dbraw/zinc/78/50/76/797785076.db2.gz MGWAJFOOPKSVSN-UHFFFAOYSA-N -1 0 334.288 2.152 20 5 EEBDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000786660810 806833302 /nfs/dbraw/zinc/83/33/02/806833302.db2.gz TWCOWDYJIQSFBI-UHFFFAOYSA-N -1 0 334.353 2.276 20 5 EEBDRM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000804479706 810879246 /nfs/dbraw/zinc/87/92/46/810879246.db2.gz RSKCTNZAUFWORP-BDJLRTHQSA-N -1 0 330.340 2.461 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000439943091 939204556 /nfs/dbraw/zinc/20/45/56/939204556.db2.gz IRIHWCPQMGTTDQ-OAHLLOKOSA-N -1 0 344.323 2.468 20 5 EEBDRM O=C([O-])c1cccc(COC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC001601345539 970979259 /nfs/dbraw/zinc/97/92/59/970979259.db2.gz NRRXZAIKHUBERO-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM O=C([O-])CCSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001611454548 971060795 /nfs/dbraw/zinc/06/07/95/971060795.db2.gz ODSKUOODTUPIOY-UHFFFAOYSA-N -1 0 326.330 2.101 20 5 EEBDRM CCOC(=O)c1ccnc(N(CC(=O)[O-])CC(C)(C)C)c1[N+](=O)[O-] ZINC001591197063 951092531 /nfs/dbraw/zinc/09/25/31/951092531.db2.gz KPPVRCVLLONNKC-UHFFFAOYSA-N -1 0 339.348 2.104 20 5 EEBDRM CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001593657818 953764100 /nfs/dbraw/zinc/76/41/00/953764100.db2.gz RUKYZJDRGHRBOE-UHFFFAOYSA-N -1 0 345.359 2.174 20 5 EEBDRM C[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC001589365962 954193637 /nfs/dbraw/zinc/19/36/37/954193637.db2.gz CTCNVMVOCLDJEH-SKDRFNHKSA-N -1 0 342.298 2.256 20 5 EEBDRM O=C([O-])C1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC001594948733 954941248 /nfs/dbraw/zinc/94/12/48/954941248.db2.gz JOXZDDLBHWXSSO-UHFFFAOYSA-N -1 0 337.090 2.197 20 5 EEBDRM O=C([O-])/C=C/c1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)co1 ZINC001594968655 955081640 /nfs/dbraw/zinc/08/16/40/955081640.db2.gz AKMMTKCAETWTIK-SNAWJCMRSA-N -1 0 330.296 2.258 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000013223916 956983249 /nfs/dbraw/zinc/98/32/49/956983249.db2.gz DWCUFUTUSCPTMZ-ZDUSSCGKSA-N -1 0 344.323 2.306 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)nc1 ZINC001574795482 957816299 /nfs/dbraw/zinc/81/62/99/957816299.db2.gz BRFCGQLSQVFCDU-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001521194609 958222275 /nfs/dbraw/zinc/22/22/75/958222275.db2.gz JVBAJAYSJIKVBO-MJVIPROJSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C([O-])c1ncccc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001605687145 974100666 /nfs/dbraw/zinc/10/06/66/974100666.db2.gz FEBVMFODKSJYQI-UHFFFAOYSA-N -1 0 333.275 2.398 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)NCc2ccc(C(=O)[O-])s2)c1[N+](=O)[O-] ZINC001591920572 976388462 /nfs/dbraw/zinc/38/84/62/976388462.db2.gz BMYAXTQWLPDINA-UHFFFAOYSA-N -1 0 338.345 2.131 20 5 EEBDRM C[C@H](CCn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O)OCc1ccccc1 ZINC001592552202 978437841 /nfs/dbraw/zinc/43/78/41/978437841.db2.gz RDMVQSRQSWTRRG-GFCCVEGCSA-N -1 0 346.339 2.450 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)COc1ccc(OC)cc1[N+](=O)[O-] ZINC001595045901 979256586 /nfs/dbraw/zinc/25/65/86/979256586.db2.gz YBEFKXZUTIXFJY-UHFFFAOYSA-N -1 0 325.317 2.442 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001595213909 980011460 /nfs/dbraw/zinc/01/14/60/980011460.db2.gz ZFRCFDIQTKDNEY-CYBMUJFWSA-N -1 0 334.372 2.487 20 5 EEBDRM CC[C@@](C)(NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001594846926 982071688 /nfs/dbraw/zinc/07/16/88/982071688.db2.gz VBPDJXLVJZAPHL-CYBMUJFWSA-N -1 0 332.259 2.179 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001594902570 982363757 /nfs/dbraw/zinc/36/37/57/982363757.db2.gz MYURWKSLGCHJTL-OQPBUACISA-N -1 0 344.751 2.243 20 5 EEBDRM CC[C@H](C)C[C@@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C(=O)[O-] ZINC001594950089 982656933 /nfs/dbraw/zinc/65/69/33/982656933.db2.gz SQKFJYDVSVIKBX-DTWKUNHWSA-N -1 0 326.353 2.061 20 5 EEBDRM CC[C@@H](C)C[C@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OC ZINC001594953993 982684030 /nfs/dbraw/zinc/68/40/30/982684030.db2.gz XXIPBGQEUGIQMX-KCJUWKMLSA-N -1 0 339.348 2.386 20 5 EEBDRM CC(=CC(=O)OCC(=O)C(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001588953330 984694442 /nfs/dbraw/zinc/69/44/42/984694442.db2.gz OPRJTWKPVXGMOP-CSKARUKUSA-N -1 0 335.312 2.221 20 5 EEBDRM CCOC(=O)c1c(C)n[nH]c1COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001596697170 984856303 /nfs/dbraw/zinc/85/63/03/984856303.db2.gz JGOUFPKSNJBREG-UHFFFAOYSA-N -1 0 349.299 2.080 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@](C)(C(=O)[O-])C2)cc1C ZINC001596713890 984938280 /nfs/dbraw/zinc/93/82/80/984938280.db2.gz LJGHLXYOXLLYMN-MRXNPFEDSA-N -1 0 336.344 2.381 20 5 EEBDRM CC(=O)NCC[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC001589133548 985432098 /nfs/dbraw/zinc/43/20/98/985432098.db2.gz VYNRWZLHSDNJFK-CYBMUJFWSA-N -1 0 349.387 2.344 20 5 EEBDRM CCc1n[nH]c(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC001597399835 987659417 /nfs/dbraw/zinc/65/94/17/987659417.db2.gz OOWWPSDHFQDBEI-UHFFFAOYSA-N -1 0 340.380 2.089 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1CC(=O)[O-] ZINC001599863282 989204166 /nfs/dbraw/zinc/20/41/66/989204166.db2.gz NHYCSRPBFHWVHT-RKDXNWHRSA-N -1 0 326.736 2.431 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)n1 ZINC001597899350 989769729 /nfs/dbraw/zinc/76/97/29/989769729.db2.gz IGCJYIVEIXVLHC-MRVPVSSYSA-N -1 0 337.288 2.329 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)NC2(CCC(=O)[O-])CCCCC2)n1 ZINC001597899401 989769840 /nfs/dbraw/zinc/76/98/40/989769840.db2.gz JTBCUDSGIXYTJB-UHFFFAOYSA-N -1 0 338.364 2.109 20 5 EEBDRM CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598006792 990161882 /nfs/dbraw/zinc/16/18/82/990161882.db2.gz RVFOZXUHZCBSAC-JOZWUWCOSA-N -1 0 348.355 2.089 20 5 EEBDRM COc1cccc([N+](=O)[O-])c1N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001599688698 991030469 /nfs/dbraw/zinc/03/04/69/991030469.db2.gz XCXPDQCFVAGZGH-LBPRGKRZSA-N -1 0 334.250 2.447 20 5 EEBDRM COc1ccccc1C[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-] ZINC001599708114 991324090 /nfs/dbraw/zinc/32/40/90/991324090.db2.gz VRHKWQJGOGJAOH-GFCCVEGCSA-N -1 0 348.359 2.001 20 5 EEBDRM CN(CC(=O)OCc1ccccc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001598418433 991749597 /nfs/dbraw/zinc/74/95/97/991749597.db2.gz XTCMHGCVTGZZRH-UHFFFAOYSA-N -1 0 344.323 2.473 20 5 EEBDRM C[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599774549 992285791 /nfs/dbraw/zinc/28/57/91/992285791.db2.gz BDSLXWOMRZWOGK-MNDBLIDSSA-N -1 0 340.401 2.324 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001598502367 992450821 /nfs/dbraw/zinc/45/08/21/992450821.db2.gz VNSHBFPMVYZHAX-UHFFFAOYSA-N -1 0 344.327 2.394 20 5 EEBDRM C[C@@](NC(=O)c1ncoc1C1CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593189452 994113091 /nfs/dbraw/zinc/11/30/91/994113091.db2.gz RIGWUYICXKSYMH-INIZCTEOSA-N -1 0 345.311 2.190 20 5 EEBDRM C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1cc(C(=O)[O-])co1 ZINC001593485366 995447692 /nfs/dbraw/zinc/44/76/92/995447692.db2.gz QSTWQVPEXCPYBT-MRVPVSSYSA-N -1 0 337.288 2.122 20 5 EEBDRM COC(=O)N1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001598879301 996790817 /nfs/dbraw/zinc/79/08/17/996790817.db2.gz HNVJEYVQQVGABC-SNVBAGLBSA-N -1 0 337.332 2.244 20 5 EEBDRM CO[C@]1(C(F)(F)F)CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599083798 997057146 /nfs/dbraw/zinc/05/71/46/997057146.db2.gz MSFXHJNGQBPWNN-GFCCVEGCSA-N -1 0 349.265 2.236 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC001599195020 997200047 /nfs/dbraw/zinc/20/00/47/997200047.db2.gz OHQZZFUUFBOTJO-AWEZNQCLSA-N -1 0 337.357 2.275 20 5 EEBDRM COc1cc(CO)ccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599417885 997541790 /nfs/dbraw/zinc/54/17/90/997541790.db2.gz SKRXHBWNLWRPBY-UHFFFAOYSA-N -1 0 346.295 2.046 20 5 EEBDRM CC1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCC1 ZINC001594038554 997641268 /nfs/dbraw/zinc/64/12/68/997641268.db2.gz CRQLQYOZKBEGAV-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM COc1cc(OC[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1C(=O)[O-] ZINC001599456227 998192852 /nfs/dbraw/zinc/19/28/52/998192852.db2.gz BEIIPLMZAAAVCE-AWEZNQCLSA-N -1 0 333.296 2.414 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](COC1CCC1)C(=O)[O-] ZINC001599461840 998285488 /nfs/dbraw/zinc/28/54/88/998285488.db2.gz CYFJVVMTEOJTIX-CQSZACIVSA-N -1 0 338.360 2.058 20 5 EEBDRM COc1cc([N+](=O)[O-])cnc1N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001599462788 998303569 /nfs/dbraw/zinc/30/35/69/998303569.db2.gz KDQLBSPRCBLHTJ-ZDUSSCGKSA-N -1 0 329.312 2.187 20 5 EEBDRM C[C@@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1F ZINC001594431991 999607817 /nfs/dbraw/zinc/60/78/17/999607817.db2.gz PABOEMLTLQQFHV-GMSGAONNSA-N -1 0 327.268 2.386 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060443283 214637979 /nfs/dbraw/zinc/63/79/79/214637979.db2.gz WYCFNFMRWKCRFZ-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000188593976 236609167 /nfs/dbraw/zinc/60/91/67/236609167.db2.gz SCOUMOIPLBHSBP-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000192838808 304152795 /nfs/dbraw/zinc/15/27/95/304152795.db2.gz QJAZABRNGGHLFS-NSHDSACASA-N -1 0 332.337 2.308 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)C(=O)[O-])cc1SC ZINC000262272222 244897079 /nfs/dbraw/zinc/89/70/79/244897079.db2.gz VAIFBIFSZPGGQL-UHFFFAOYSA-N -1 0 342.373 2.166 20 5 EEBDRM C[C@]1(NC(=O)COc2ccccc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC000262715820 245140079 /nfs/dbraw/zinc/14/00/79/245140079.db2.gz DOCOQAXCXOKLQJ-BZNIZROVSA-N -1 0 336.344 2.123 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC(F)F)C(=O)[O-])c1 ZINC000262533241 152288798 /nfs/dbraw/zinc/28/87/98/152288798.db2.gz PXECUYPMIVSTGE-MRVPVSSYSA-N -1 0 334.300 2.155 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000262838252 152325275 /nfs/dbraw/zinc/32/52/75/152325275.db2.gz CUINGLHTMWRZJV-MFKMUULPSA-N -1 0 347.371 2.352 20 5 EEBDRM CC(C)(C)CC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000263190998 152398701 /nfs/dbraw/zinc/39/87/01/152398701.db2.gz STPGOOYGTUUUHI-GFCCVEGCSA-N -1 0 337.376 2.402 20 5 EEBDRM O=C(NCCCOc1ccc(F)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000126569808 292313053 /nfs/dbraw/zinc/31/30/53/292313053.db2.gz HNEWFZPNTVJQGT-UHFFFAOYSA-N -1 0 335.291 2.033 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(N)=O)cc1[N+](=O)[O-] ZINC000077957360 159112091 /nfs/dbraw/zinc/11/20/91/159112091.db2.gz XIRWTZGGYZTMMB-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM COC(=O)[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000339035559 160822912 /nfs/dbraw/zinc/82/29/12/160822912.db2.gz YCZSTTUOVLKNDF-MRXNPFEDSA-N -1 0 346.339 2.313 20 5 EEBDRM O=C(Nc1ccc(OCCCO)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000343593141 161150072 /nfs/dbraw/zinc/15/00/72/161150072.db2.gz BPDILOZIBHSVAV-UHFFFAOYSA-N -1 0 332.312 2.314 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NCCCC(C)C ZINC000355468959 163199985 /nfs/dbraw/zinc/19/99/85/163199985.db2.gz GDDRZAJPDZMXGJ-UHFFFAOYSA-N -1 0 344.389 2.316 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)n2)c([N+](=O)[O-])c1 ZINC000359084505 164054039 /nfs/dbraw/zinc/05/40/39/164054039.db2.gz RCTBNEIDSYUEDD-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000154303844 292520775 /nfs/dbraw/zinc/52/07/75/292520775.db2.gz SNAQBDRKDYHMFD-UHFFFAOYSA-N -1 0 342.323 2.394 20 5 EEBDRM Cc1noc(C2(C)CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)n1 ZINC000370001858 166373271 /nfs/dbraw/zinc/37/32/71/166373271.db2.gz YEXOTCWLWHKKMY-UHFFFAOYSA-N -1 0 346.343 2.186 20 5 EEBDRM Cc1n[nH]cc1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000375835738 167209615 /nfs/dbraw/zinc/20/96/15/167209615.db2.gz YNNFNORKQFFVQG-UHFFFAOYSA-N -1 0 330.344 2.352 20 5 EEBDRM Cc1n[nH]cc1-c1nnc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000376395163 167316931 /nfs/dbraw/zinc/31/69/31/167316931.db2.gz CLFKCPKCPVHKJE-UHFFFAOYSA-N -1 0 346.328 2.103 20 5 EEBDRM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000275261045 269105715 /nfs/dbraw/zinc/10/57/15/269105715.db2.gz IUZCMJKVSYBKRJ-ZDUSSCGKSA-N -1 0 344.389 2.023 20 5 EEBDRM Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000279727502 269302947 /nfs/dbraw/zinc/30/29/47/269302947.db2.gz IXHKALHJHNSNEL-JTQLQIEISA-N -1 0 346.343 2.180 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291149059 275275779 /nfs/dbraw/zinc/27/57/79/275275779.db2.gz IFWCBXHJGWMWIO-GOSISDBHSA-N -1 0 342.351 2.077 20 5 EEBDRM O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000292598965 275452839 /nfs/dbraw/zinc/45/28/39/275452839.db2.gz HRFYUDDWMZVEJU-QAPCUYQASA-N -1 0 342.351 2.196 20 5 EEBDRM CCC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC000297123909 294157488 /nfs/dbraw/zinc/15/74/88/294157488.db2.gz FIIDFHGBIOQHGX-GFCCVEGCSA-N -1 0 349.387 2.426 20 5 EEBDRM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000297304086 294207504 /nfs/dbraw/zinc/20/75/04/294207504.db2.gz VRODFWHSGWJFAF-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000263169917 297216283 /nfs/dbraw/zinc/21/62/83/297216283.db2.gz JGFOBFRXQDQIET-MWLCHTKSSA-N -1 0 333.344 2.027 20 5 EEBDRM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000331000247 311806632 /nfs/dbraw/zinc/80/66/32/311806632.db2.gz JSBVDENDSFGTKX-UONOGXRCSA-N -1 0 349.387 2.162 20 5 EEBDRM Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331843399 311912373 /nfs/dbraw/zinc/91/23/73/311912373.db2.gz BXVGVUCCNBWIDI-HNNXBMFYSA-N -1 0 332.360 2.214 20 5 EEBDRM Cn1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000331866906 311916257 /nfs/dbraw/zinc/91/62/57/311916257.db2.gz GHVNGLZFQVFDGB-CQSZACIVSA-N -1 0 330.344 2.401 20 5 EEBDRM COc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000432135326 314681815 /nfs/dbraw/zinc/68/18/15/314681815.db2.gz ZOJYTFCAQLVYNM-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM Cc1nc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)s1 ZINC000433800089 314795959 /nfs/dbraw/zinc/79/59/59/314795959.db2.gz BFMZOFCVLJNBIQ-UHFFFAOYSA-N -1 0 329.359 2.175 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc(SC)c2)c([N+](=O)[O-])n1 ZINC000435728072 314920840 /nfs/dbraw/zinc/92/08/40/314920840.db2.gz HUXDHYZENJMBOG-UHFFFAOYSA-N -1 0 342.402 2.334 20 5 EEBDRM COC(=O)c1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1O ZINC000436826173 315002421 /nfs/dbraw/zinc/00/24/21/315002421.db2.gz GKKBKOSKPKURTF-UHFFFAOYSA-N -1 0 346.295 2.353 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)OC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000495915186 316170654 /nfs/dbraw/zinc/17/06/54/316170654.db2.gz OUYKMKXURRTKNL-UFBFGSQYSA-N -1 0 325.321 2.010 20 5 EEBDRM COC(=O)CCC1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000542811682 318143326 /nfs/dbraw/zinc/14/33/26/318143326.db2.gz ROIGTQYUYPBYGD-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM CC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1O ZINC000562440803 318883156 /nfs/dbraw/zinc/88/31/56/318883156.db2.gz HZDADOPEHPWJJF-UHFFFAOYSA-N -1 0 336.325 2.304 20 5 EEBDRM Cn1cc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000565953175 319230082 /nfs/dbraw/zinc/23/00/82/319230082.db2.gz BTJLFJCEGMACFW-UHFFFAOYSA-N -1 0 345.237 2.052 20 5 EEBDRM CC[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000566066497 319240343 /nfs/dbraw/zinc/24/03/43/319240343.db2.gz VNZBFVPIZAHUSY-MRVPVSSYSA-N -1 0 330.362 2.020 20 5 EEBDRM C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC000566739802 319316925 /nfs/dbraw/zinc/31/69/25/319316925.db2.gz BLQBKZWDFXLELC-VIFPVBQESA-N -1 0 347.293 2.066 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)NCCC2CCCC2)cc1[N+](=O)[O-] ZINC000567498276 319385447 /nfs/dbraw/zinc/38/54/47/319385447.db2.gz OAOUWLSOBUIRIG-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM Cc1cc(N2CCn3c(nnc3C3CC3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573448210 319936112 /nfs/dbraw/zinc/93/61/12/319936112.db2.gz FFINZRKHWAPUNM-UHFFFAOYSA-N -1 0 343.343 2.091 20 5 EEBDRM COc1cc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC000574015096 319986522 /nfs/dbraw/zinc/98/65/22/319986522.db2.gz BKAURWYNWZPBDJ-LLVKDONJSA-N -1 0 336.344 2.239 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000574043754 319990388 /nfs/dbraw/zinc/99/03/88/319990388.db2.gz RTYIUWVLODJCDL-NXEZZACHSA-N -1 0 348.277 2.290 20 5 EEBDRM Cc1cc(N2CCN(CC(F)(F)F)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000575062483 320084103 /nfs/dbraw/zinc/08/41/03/320084103.db2.gz NPOHWZXCIHSZLL-UHFFFAOYSA-N -1 0 347.293 2.286 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000580196797 324014366 /nfs/dbraw/zinc/01/43/66/324014366.db2.gz CXBHFQJKBGUMKJ-KOLCDFICSA-N -1 0 331.328 2.451 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000580332248 324043138 /nfs/dbraw/zinc/04/31/38/324043138.db2.gz LPHQKXZMAQMJIR-SECBINFHSA-N -1 0 333.266 2.342 20 5 EEBDRM CCC(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000581253883 324215399 /nfs/dbraw/zinc/21/53/99/324215399.db2.gz BZVXGMLOELOWBE-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM Cc1noc([C@H]2CCCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)C2)n1 ZINC000581254312 324215564 /nfs/dbraw/zinc/21/55/64/324215564.db2.gz ZTVREIQGDVVTEF-JTQLQIEISA-N -1 0 332.316 2.368 20 5 EEBDRM Cc1cc(N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582668725 324500575 /nfs/dbraw/zinc/50/05/75/324500575.db2.gz GZCBVWPFPLQQGE-PRHODGIISA-N -1 0 348.277 2.351 20 5 EEBDRM O=C(Nc1ccncc1O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000358341635 465069548 /nfs/dbraw/zinc/06/95/48/465069548.db2.gz RTOBDUNIOGJRKJ-UHFFFAOYSA-N -1 0 342.336 2.493 20 5 EEBDRM COC(=O)C[C@@](C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccn1 ZINC000339089760 465076510 /nfs/dbraw/zinc/07/65/10/465076510.db2.gz BHTKYQQBBMKXAI-QGZVFWFLSA-N -1 0 345.355 2.264 20 5 EEBDRM C[C@H](c1ccccc1)[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(N)=O ZINC000339210546 465144327 /nfs/dbraw/zinc/14/43/27/465144327.db2.gz MHYNIRYEFPZHFW-BZNIZROVSA-N -1 0 329.356 2.048 20 5 EEBDRM Cc1cc(NCCN2CCOCC2(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578871128 468272086 /nfs/dbraw/zinc/27/20/86/468272086.db2.gz IORRWRALSSSRGU-UHFFFAOYSA-N -1 0 337.376 2.124 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1O ZINC000351756161 465341692 /nfs/dbraw/zinc/34/16/92/465341692.db2.gz PELCOHWBUTWELC-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c(F)c1 ZINC000077704892 463027541 /nfs/dbraw/zinc/02/75/41/463027541.db2.gz CSEQPGVFLMMKKR-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM O=C1CCc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2N1 ZINC000157935327 463187626 /nfs/dbraw/zinc/18/76/26/463187626.db2.gz TZUVEQMHUSKVPE-UHFFFAOYSA-N -1 0 347.352 2.280 20 5 EEBDRM Cc1nc(C2(NC(=O)c3cccc([N+](=O)[O-])c3[O-])CCCC2)no1 ZINC000136587854 463247215 /nfs/dbraw/zinc/24/72/15/463247215.db2.gz MRMDTMYHGPJPEF-UHFFFAOYSA-N -1 0 332.316 2.191 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](OCc2ccncc2)C1 ZINC000178384447 463891481 /nfs/dbraw/zinc/89/14/81/463891481.db2.gz KUKCDLQLIDJLNQ-CYBMUJFWSA-N -1 0 343.339 2.127 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000261908703 463896204 /nfs/dbraw/zinc/89/62/04/463896204.db2.gz PWFRXRBLRFFKFR-LBPRGKRZSA-N -1 0 336.344 2.077 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000269204312 463907859 /nfs/dbraw/zinc/90/78/59/463907859.db2.gz SMQSWQBFVSMZHO-GFCCVEGCSA-N -1 0 347.371 2.132 20 5 EEBDRM CC(C)(NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000236681921 464218347 /nfs/dbraw/zinc/21/83/47/464218347.db2.gz HAYKZWJIJKZXLP-UHFFFAOYSA-N -1 0 329.312 2.353 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236945075 464241710 /nfs/dbraw/zinc/24/17/10/464241710.db2.gz KALCLMRSDJMGQT-UHFFFAOYSA-N -1 0 335.360 2.132 20 5 EEBDRM C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)[O-] ZINC000237484088 464327409 /nfs/dbraw/zinc/32/74/09/464327409.db2.gz AUOZAJOBHFVUCZ-LLVKDONJSA-N -1 0 335.360 2.036 20 5 EEBDRM Cc1nn(CCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC000237612104 464349818 /nfs/dbraw/zinc/34/98/18/464349818.db2.gz SXIYFJHYKWXAKY-UHFFFAOYSA-N -1 0 346.343 2.444 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H](C)C(=O)[O-] ZINC000294465780 464508861 /nfs/dbraw/zinc/50/88/61/464508861.db2.gz CXUBMVVGGIKRBD-WDEREUQCSA-N -1 0 335.360 2.034 20 5 EEBDRM Cn1ccnc1-c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000182129554 464579276 /nfs/dbraw/zinc/57/92/76/464579276.db2.gz KRYXSWTYGKMELO-UHFFFAOYSA-N -1 0 345.340 2.410 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCCCC(=O)[O-])c1C ZINC000267000998 464900096 /nfs/dbraw/zinc/90/00/96/464900096.db2.gz HFICRIWTZOTBSK-UHFFFAOYSA-N -1 0 344.389 2.135 20 5 EEBDRM Cc1noc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000286460838 464926028 /nfs/dbraw/zinc/92/60/28/464926028.db2.gz PNLZTEIOKUOULX-LBPRGKRZSA-N -1 0 332.316 2.359 20 5 EEBDRM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356333802 465318106 /nfs/dbraw/zinc/31/81/06/465318106.db2.gz GKMIUOVFDVXVJE-UHFFFAOYSA-N -1 0 327.296 2.437 20 5 EEBDRM COCCN(CC(=O)[O-])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000591269716 468435093 /nfs/dbraw/zinc/43/50/93/468435093.db2.gz RZRSWSUBMDKNJC-UHFFFAOYSA-N -1 0 334.328 2.388 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nc(C(F)(F)F)no1 ZINC000600031275 468438898 /nfs/dbraw/zinc/43/88/98/468438898.db2.gz WKDZAUSSQJDNEV-RXMQYKEDSA-N -1 0 346.221 2.193 20 5 EEBDRM Cc1cnc(N2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CC2)s1 ZINC000569106988 468440765 /nfs/dbraw/zinc/44/07/65/468440765.db2.gz LHHHEDHHRCCNBP-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)c([N+](=O)[O-])n1 ZINC000349299785 466056687 /nfs/dbraw/zinc/05/66/87/466056687.db2.gz QOZLFHGCSBSWQJ-UHFFFAOYSA-N -1 0 349.372 2.104 20 5 EEBDRM CCO[C@H](C)c1noc(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000339006657 466563303 /nfs/dbraw/zinc/56/33/03/466563303.db2.gz XVFLRTKAUBNLQC-SNVBAGLBSA-N -1 0 336.348 2.413 20 5 EEBDRM O=C(Nc1ccccc1-c1nc[nH]n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000370366801 466850388 /nfs/dbraw/zinc/85/03/88/466850388.db2.gz MHDQVAKLAKUDRN-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM Cc1cccc2c1OC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C2 ZINC000427973182 467189249 /nfs/dbraw/zinc/18/92/49/467189249.db2.gz COFQUFSMNCYERW-CYBMUJFWSA-N -1 0 328.324 2.342 20 5 EEBDRM Cc1cccc2c1OC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C2 ZINC000427973189 467189486 /nfs/dbraw/zinc/18/94/86/467189486.db2.gz COFQUFSMNCYERW-ZDUSSCGKSA-N -1 0 328.324 2.342 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000432466662 467243999 /nfs/dbraw/zinc/24/39/99/467243999.db2.gz UHJZJPMYXHBCTH-SECBINFHSA-N -1 0 344.327 2.282 20 5 EEBDRM COc1cccc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1[N+](=O)[O-] ZINC000435724644 467490932 /nfs/dbraw/zinc/49/09/32/467490932.db2.gz DBCNWQWTHVHJTA-UHFFFAOYSA-N -1 0 340.299 2.036 20 5 EEBDRM CCN(CC(=O)[O-])C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000431455091 467517513 /nfs/dbraw/zinc/51/75/13/467517513.db2.gz GZMDBIYNCAFWLN-UHFFFAOYSA-N -1 0 342.326 2.367 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000531213408 468036617 /nfs/dbraw/zinc/03/66/17/468036617.db2.gz ZFWWNGMZGGZGGE-MRVPVSSYSA-N -1 0 343.311 2.308 20 5 EEBDRM COc1cccnc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000531366748 468047530 /nfs/dbraw/zinc/04/75/30/468047530.db2.gz VPDRBJTXLSNBAK-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCOC1 ZINC000520587048 468260636 /nfs/dbraw/zinc/26/06/36/468260636.db2.gz RTPMSVLRVBINEY-IUCAKERBSA-N -1 0 328.752 2.499 20 5 EEBDRM Cc1ncc2c(n1)CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000582361927 468529347 /nfs/dbraw/zinc/52/93/47/468529347.db2.gz RBRUBNWURIOZFU-UHFFFAOYSA-N -1 0 348.746 2.251 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@@H]3CCCCO3)C2)n1 ZINC000594734544 468667613 /nfs/dbraw/zinc/66/76/13/468667613.db2.gz ASPBAUAWWJGNHK-FZMZJTMJSA-N -1 0 335.360 2.474 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CCSC3)C2)n1 ZINC000583633606 468732156 /nfs/dbraw/zinc/73/21/56/468732156.db2.gz NWOBYCFWNXSLGP-YMTOWFKASA-N -1 0 339.373 2.155 20 5 EEBDRM CC[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000592953255 468826848 /nfs/dbraw/zinc/82/68/48/468826848.db2.gz UNFZCQOLAZUNEV-LLVKDONJSA-N -1 0 335.360 2.036 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCOC(C2CC2)(C2CC2)C1 ZINC000598365619 468842372 /nfs/dbraw/zinc/84/23/72/468842372.db2.gz ZGALKVLLVMFZEW-UHFFFAOYSA-N -1 0 332.356 2.332 20 5 EEBDRM COc1cc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000598657243 468948549 /nfs/dbraw/zinc/94/85/49/468948549.db2.gz BVAIBZKLOCVTLV-GFCCVEGCSA-N -1 0 336.344 2.381 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598660213 468949450 /nfs/dbraw/zinc/94/94/50/468949450.db2.gz OLDIKVVLWBVZLJ-DOMZBBRYSA-N -1 0 345.355 2.378 20 5 EEBDRM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000614898396 469087125 /nfs/dbraw/zinc/08/71/25/469087125.db2.gz XOUSVTLNDXBAFI-ZDUSSCGKSA-N -1 0 348.277 2.484 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn(C(C)(C)C(=O)[O-])c2)c1 ZINC000595977167 469105407 /nfs/dbraw/zinc/10/54/07/469105407.db2.gz FAHRYBKSBPPKNG-UHFFFAOYSA-N -1 0 348.315 2.141 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000596064112 469135908 /nfs/dbraw/zinc/13/59/08/469135908.db2.gz SKGQLPKYKXZPDK-UHFFFAOYSA-N -1 0 337.332 2.370 20 5 EEBDRM C[C@@H]1OCC[C@@]12CN(c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000563214488 469201500 /nfs/dbraw/zinc/20/15/00/469201500.db2.gz WQKZASIJXOXMPY-OHUAYANFSA-N -1 0 336.344 2.066 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000604176511 469461133 /nfs/dbraw/zinc/46/11/33/469461133.db2.gz UNFSFKOEDIMPTP-JTQLQIEISA-N -1 0 348.277 2.484 20 5 EEBDRM CC(C)(C)C(=O)N1CCC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000612526413 469487425 /nfs/dbraw/zinc/48/74/25/469487425.db2.gz VFVRKNLRGFVNOA-UHFFFAOYSA-N -1 0 349.387 2.067 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(C)cccc1O ZINC000619467802 469616550 /nfs/dbraw/zinc/61/65/50/469616550.db2.gz FUSPMJUMCZIJSB-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000618023553 469876023 /nfs/dbraw/zinc/87/60/23/469876023.db2.gz DFLUNVARACPNEE-HTQZYQBOSA-N -1 0 328.346 2.137 20 5 EEBDRM CCC[C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000592129918 485597576 /nfs/dbraw/zinc/59/75/76/485597576.db2.gz BITNUIDWMINHER-VIFPVBQESA-N -1 0 330.362 2.102 20 5 EEBDRM CCCC[C@H](COC)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000129021848 528967629 /nfs/dbraw/zinc/96/76/29/528967629.db2.gz MFEHJEOMSYHAGZ-SNVBAGLBSA-N -1 0 334.369 2.217 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000738465773 578016262 /nfs/dbraw/zinc/01/62/62/578016262.db2.gz LRFXMQRAWOTJPZ-LBPRGKRZSA-N -1 0 341.751 2.126 20 5 EEBDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000738350489 578010412 /nfs/dbraw/zinc/01/04/12/578010412.db2.gz FGRZJMVJCYXKBX-CQSZACIVSA-N -1 0 330.296 2.468 20 5 EEBDRM O=C([O-])N1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000738486181 578016964 /nfs/dbraw/zinc/01/69/64/578016964.db2.gz CJAUGQQEBPJGSM-UHFFFAOYSA-N -1 0 327.724 2.120 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000733062443 577201544 /nfs/dbraw/zinc/20/15/44/577201544.db2.gz RNELEENJZUOALG-UHFFFAOYSA-N -1 0 328.390 2.020 20 5 EEBDRM O=C(NC[C@H]1COC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773609094 577354389 /nfs/dbraw/zinc/35/43/89/577354389.db2.gz AJKSPEBOXMOTML-LBPRGKRZSA-N -1 0 336.344 2.106 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2n[nH]c3ccccc32)cc([N+](=O)[O-])c1 ZINC000766864016 577526091 /nfs/dbraw/zinc/52/60/91/577526091.db2.gz KJDHHAJAHPPAGJ-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)n1cc([N+](=O)[O-])cn1 ZINC000767204883 577532440 /nfs/dbraw/zinc/53/24/40/577532440.db2.gz FZPYNGBIDWAORB-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cnc1Cl ZINC000767438296 577537033 /nfs/dbraw/zinc/53/70/33/577537033.db2.gz GGRHVLNNJJQKNX-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770855346 577604865 /nfs/dbraw/zinc/60/48/65/577604865.db2.gz CKEUYLGGJVWRTN-UHFFFAOYSA-N -1 0 332.316 2.480 20 5 EEBDRM Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)o1 ZINC000744130945 577893232 /nfs/dbraw/zinc/89/32/32/577893232.db2.gz BETRUHQLGHMLLO-MRVPVSSYSA-N -1 0 344.370 2.166 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000746307241 577925690 /nfs/dbraw/zinc/92/56/90/577925690.db2.gz UDLZDEZLEKETFQ-UHFFFAOYSA-N -1 0 342.267 2.127 20 5 EEBDRM Cc1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000738567518 578019570 /nfs/dbraw/zinc/01/95/70/578019570.db2.gz OUMCEXUJRJESMX-CYBMUJFWSA-N -1 0 343.339 2.084 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000739203489 578043812 /nfs/dbraw/zinc/04/38/12/578043812.db2.gz GADFWEGBSRRSMB-ZDUSSCGKSA-N -1 0 334.259 2.299 20 5 EEBDRM Nc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1[N+](=O)[O-] ZINC000739205516 578043895 /nfs/dbraw/zinc/04/38/95/578043895.db2.gz SRTJKTMGFAFNSH-UHFFFAOYSA-N -1 0 327.296 2.031 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCOC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000739625308 578061363 /nfs/dbraw/zinc/06/13/63/578061363.db2.gz OLEQCZBNGVYJAW-RYWCDNDXSA-N -1 0 336.344 2.300 20 5 EEBDRM O=C([O-])CCCc1nc(COc2ccc([N+](=O)[O-])cc2F)no1 ZINC000739702287 578064714 /nfs/dbraw/zinc/06/47/14/578064714.db2.gz MPKIBMGSGKPWFU-UHFFFAOYSA-N -1 0 325.252 2.103 20 5 EEBDRM O=C([O-])NCCCC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000739974512 578076164 /nfs/dbraw/zinc/07/61/64/578076164.db2.gz IOBLPMOYCGSLEF-UHFFFAOYSA-N -1 0 349.299 2.341 20 5 EEBDRM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc([N+](=O)[O-])c1 ZINC000735828292 578169403 /nfs/dbraw/zinc/16/94/03/578169403.db2.gz NEGLCZBOUVZRHV-UHFFFAOYSA-N -1 0 335.228 2.135 20 5 EEBDRM CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)[O-])cs1 ZINC000737313993 578249835 /nfs/dbraw/zinc/24/98/35/578249835.db2.gz NUBHZWDSAKQAEX-DAXSKMNVSA-N -1 0 347.352 2.355 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000120240440 599807961 /nfs/dbraw/zinc/80/79/61/599807961.db2.gz LXCIFBOPZPYQHB-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM Cc1nn(C)c(-c2nc(-c3cccc(C(=O)[O-])c3)no2)c1[N+](=O)[O-] ZINC000833012775 600698162 /nfs/dbraw/zinc/69/81/62/600698162.db2.gz FUBNQOWBGAGFTJ-UHFFFAOYSA-N -1 0 329.272 2.052 20 5 EEBDRM CN(CC(=O)N(C)c1ccccc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000830661173 600968564 /nfs/dbraw/zinc/96/85/64/600968564.db2.gz QLFCUFQYAKOJPJ-UHFFFAOYSA-N -1 0 343.339 2.392 20 5 EEBDRM Cn1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)[O-] ZINC000833047007 601314966 /nfs/dbraw/zinc/31/49/66/601314966.db2.gz FZYFNCRXEOYSSM-UHFFFAOYSA-N -1 0 337.719 2.466 20 5 EEBDRM O=C([O-])c1cccc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000833328568 601349809 /nfs/dbraw/zinc/34/98/09/601349809.db2.gz PEKYHUUHCNPAMJ-UHFFFAOYSA-N -1 0 343.251 2.186 20 5 EEBDRM COC(=O)c1cc(NC2CCN(C(=O)[O-])CC2)cc(C)c1[N+](=O)[O-] ZINC000831315452 601545501 /nfs/dbraw/zinc/54/55/01/601545501.db2.gz BRWHWMJNRDZXOT-UHFFFAOYSA-N -1 0 337.332 2.244 20 5 EEBDRM C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000828377582 601772334 /nfs/dbraw/zinc/77/23/34/601772334.db2.gz KNHMLTMPUQAIJC-IONNQARKSA-N -1 0 327.724 2.433 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000827010289 604451342 /nfs/dbraw/zinc/45/13/42/604451342.db2.gz DEOHQOPNPMDDTR-LBPRGKRZSA-N -1 0 344.751 2.198 20 5 EEBDRM Cc1cc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)oc1C(=O)[O-] ZINC000833744925 604530133 /nfs/dbraw/zinc/53/01/33/604530133.db2.gz VTDOVDVWMGNIRH-UHFFFAOYSA-N -1 0 345.267 2.059 20 5 EEBDRM CC(C)CN(CCC(=O)[O-])C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000826876223 604854969 /nfs/dbraw/zinc/85/49/69/604854969.db2.gz XCJLQJBKOQFTDO-UHFFFAOYSA-N -1 0 326.353 2.014 20 5 EEBDRM O=C([O-])c1ccncc1C(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000833335397 604876717 /nfs/dbraw/zinc/87/67/17/604876717.db2.gz VZTSXSKSCYVUOG-UHFFFAOYSA-N -1 0 346.295 2.314 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000120131809 674652017 /nfs/dbraw/zinc/65/20/17/674652017.db2.gz QOPJCOIPHICFFS-UHFFFAOYSA-N -1 0 344.330 2.069 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC(c2ccccc2)=NO1 ZINC000180774588 682077873 /nfs/dbraw/zinc/07/78/73/682077873.db2.gz ORUSVHREZQHHDQ-OAHLLOKOSA-N -1 0 327.296 2.432 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1=CCCCCC1 ZINC000127511121 689139662 /nfs/dbraw/zinc/13/96/62/689139662.db2.gz BHYMUQYTLMHAFP-UHFFFAOYSA-N -1 0 342.348 2.429 20 5 EEBDRM C=C/C(C)=C\CC(=O)NC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001095439598 1205755217 /nfs/dbraw/zinc/75/52/17/1205755217.db2.gz WAPDYWKNYTWQKD-QCDXTXTGSA-N -1 0 346.387 2.303 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780358754 1287278394 /nfs/dbraw/zinc/27/83/94/1287278394.db2.gz POJYLSDPMKYPPI-UHFFFAOYSA-N -1 0 331.284 2.481 20 5 EEBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@H]2CCNCC2(F)F)c1[N+](=O)[O-] ZINC001218008497 1297546267 /nfs/dbraw/zinc/54/62/67/1297546267.db2.gz ZFKISYFQKIPJSD-ZETCQYMHSA-N -1 0 343.208 2.090 20 5 EEBDRM CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000852954927 1292239918 /nfs/dbraw/zinc/23/99/18/1292239918.db2.gz XLYQKNWXFBEFPH-SSDOTTSWSA-N -1 0 332.715 2.251 20 5 EEBDRM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000115924283 1294038656 /nfs/dbraw/zinc/03/86/56/1294038656.db2.gz BGIVPVZKRCAQSQ-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM Cn1cc2cccc(-c3noc(-c4cnc([N+](=O)[O-])c([O-])c4)n3)c2n1 ZINC001213596243 1296101951 /nfs/dbraw/zinc/10/19/51/1296101951.db2.gz SZTVDQJYDUDPPA-UHFFFAOYSA-N -1 0 338.283 2.299 20 5 EEBDRM CSc1nc(O[C@H](C)c2ncccc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227628808 1301916581 /nfs/dbraw/zinc/91/65/81/1301916581.db2.gz QXHFCZAYWYAYIN-ZCFIWIBFSA-N -1 0 326.309 2.486 20 5 EEBDRM CCC[C@H](CC(=O)OCC)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228602659 1302333270 /nfs/dbraw/zinc/33/32/70/1302333270.db2.gz CYRYLSAIDSNSOH-SNVBAGLBSA-N -1 0 339.348 2.469 20 5 EEBDRM C[C@@H](Oc1nc(Cl)nc(=O)[n-]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001230241883 1303124882 /nfs/dbraw/zinc/12/48/82/1303124882.db2.gz RHORJQXMOYEXRI-RXMQYKEDSA-N -1 0 340.679 2.008 20 5 EEBDRM COC(=O)C[C@@H]1CCC[C@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231077226 1303613562 /nfs/dbraw/zinc/61/35/62/1303613562.db2.gz SJDWBMACCWURDU-SFYZADRCSA-N -1 0 345.739 2.245 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000780740337 1303695506 /nfs/dbraw/zinc/69/55/06/1303695506.db2.gz XOXXHRYVZQLXCL-BJOHPYRUSA-N -1 0 334.303 2.291 20 5 EEBDRM COC(=O)[C@@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001231261243 1303709318 /nfs/dbraw/zinc/70/93/18/1303709318.db2.gz ZPKWQQBJJXHMRE-ZDUSSCGKSA-N -1 0 336.275 2.436 20 5 EEBDRM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000835028569 1314894566 /nfs/dbraw/zinc/89/45/66/1314894566.db2.gz MMDVQWUYAXJOIM-QMTHXVAHSA-N -1 0 326.374 2.226 20 5 EEBDRM CC(C)(C)n1cc(C(=O)C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000837446211 1315082421 /nfs/dbraw/zinc/08/24/21/1315082421.db2.gz IZZBULUBLUFSRN-UHFFFAOYSA-N -1 0 347.327 2.178 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1F ZINC001608505453 1351706101 /nfs/dbraw/zinc/70/61/01/1351706101.db2.gz YNMOGLQORGVYTK-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM O=C([O-])[C@@H](C[C@@H]1CCCOC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001608534243 1351711787 /nfs/dbraw/zinc/71/17/87/1351711787.db2.gz TVOXRTVMAAFJCP-WCBMZHEXSA-N -1 0 329.740 2.325 20 5 EEBDRM Cc1cc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC001600138631 1349978185 /nfs/dbraw/zinc/97/81/85/1349978185.db2.gz PAOUWNLJWHNBRZ-UHFFFAOYSA-N -1 0 335.268 2.430 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001601227234 1350236369 /nfs/dbraw/zinc/23/63/69/1350236369.db2.gz MCRXLWXPXBQLBZ-GODPOGMQSA-N -1 0 330.340 2.307 20 5 EEBDRM O=C([O-])c1cnc(NCCC(=O)OCc2ccccc2)c([N+](=O)[O-])c1 ZINC001601280650 1350248000 /nfs/dbraw/zinc/24/80/00/1350248000.db2.gz TXVCKDJOVNBOST-UHFFFAOYSA-N -1 0 345.311 2.233 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001608696663 1351743976 /nfs/dbraw/zinc/74/39/76/1351743976.db2.gz OHMGISJZRCHBCB-SECBINFHSA-N -1 0 341.751 2.126 20 5 EEBDRM O=C([O-])C[C@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CCO1 ZINC001608701896 1351744830 /nfs/dbraw/zinc/74/48/30/1351744830.db2.gz SJHZQBCTEKRFDR-QMMMGPOBSA-N -1 0 334.250 2.294 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC001608785507 1351763074 /nfs/dbraw/zinc/76/30/74/1351763074.db2.gz YLOONWHZQGDNMJ-RMKNXTFCSA-N -1 0 327.296 2.269 20 5 EEBDRM O=C([O-])c1cc(OS(=O)(=O)CCCC2CC2)ccc1[N+](=O)[O-] ZINC001608857433 1351780061 /nfs/dbraw/zinc/78/00/61/1351780061.db2.gz IJAZIQLSTRJFKW-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM O=C([O-])c1ccc2c(c1)ncn(Cc1ccc([N+](=O)[O-])c(F)c1)c2=O ZINC001608918550 1351794423 /nfs/dbraw/zinc/79/44/23/1351794423.db2.gz RJTMDXQRUVBVBL-UHFFFAOYSA-N -1 0 343.270 2.190 20 5 EEBDRM O=C([O-])c1ccccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1F ZINC001608949415 1351801228 /nfs/dbraw/zinc/80/12/28/1351801228.db2.gz SVIVELBMBILBOM-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001323115831 1333389138 /nfs/dbraw/zinc/38/91/38/1333389138.db2.gz VGKSPXWUVVRRNQ-JTQLQIEISA-N -1 0 328.390 2.472 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001609712435 1352065935 /nfs/dbraw/zinc/06/59/35/1352065935.db2.gz FPMPTFOLZOVPSF-INIZCTEOSA-N -1 0 336.344 2.319 20 5 EEBDRM C[C@@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(=O)[O-] ZINC001609789946 1352085875 /nfs/dbraw/zinc/08/58/75/1352085875.db2.gz MEYDFJVWUNIUPB-VHSXEESVSA-N -1 0 337.328 2.310 20 5 EEBDRM CC[C@](CNC(=O)CCC(C)(C)[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001609919090 1352119738 /nfs/dbraw/zinc/11/97/38/1352119738.db2.gz AQGLKDMAMYRTRM-QGZVFWFLSA-N -1 0 336.388 2.371 20 5 EEBDRM C[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)CC(C)(C)O1 ZINC001345680525 1337458113 /nfs/dbraw/zinc/45/81/13/1337458113.db2.gz JHZUSZBYCGVFPS-JTQLQIEISA-N -1 0 347.375 2.100 20 5 EEBDRM CO[C@@H]1CCC[C@@H]([C@H]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])C(=O)[O-])C1 ZINC001610234421 1352191813 /nfs/dbraw/zinc/19/18/13/1352191813.db2.gz JUQQBBUCWSLZPH-YVLXSGLVSA-N -1 0 338.360 2.048 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1COC(=O)c1cccc(C(=O)[O-])n1 ZINC001610307720 1352203366 /nfs/dbraw/zinc/20/33/66/1352203366.db2.gz NJCODWOFCPKGDI-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM C[C@@H](O)CNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001610391303 1352215280 /nfs/dbraw/zinc/21/52/80/1352215280.db2.gz ZCLLSNUTXGESQG-SNVBAGLBSA-N -1 0 344.323 2.317 20 5 EEBDRM Cc1c(NCC(=O)N2CCCC[C@@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610426297 1352220581 /nfs/dbraw/zinc/22/05/81/1352220581.db2.gz KNZXJWTUGJBJIA-JTQLQIEISA-N -1 0 335.360 2.414 20 5 EEBDRM Cc1c(NCc2nsc(N(C)C)n2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610427268 1352221076 /nfs/dbraw/zinc/22/10/76/1352221076.db2.gz PYZIQXJLPGHLIU-UHFFFAOYSA-N -1 0 337.361 2.131 20 5 EEBDRM O=C([O-])Cc1ccc(OC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC001610792887 1352275456 /nfs/dbraw/zinc/27/54/56/1352275456.db2.gz GYQJURMTYXPUMN-UHFFFAOYSA-N -1 0 341.279 2.317 20 5 EEBDRM O=C([O-])c1cnc(NCC[S@](=O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001610863587 1352286980 /nfs/dbraw/zinc/28/69/80/1352286980.db2.gz NDWDMQSQGHREGI-DEOSSOPVSA-N -1 0 349.368 2.049 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)[O-] ZINC001588958018 1348950671 /nfs/dbraw/zinc/95/06/71/1348950671.db2.gz PKZKJNZJZQWIAP-JTQLQIEISA-N -1 0 334.250 2.453 20 5 EEBDRM Cc1c(NC(=O)Cn2cc(Cl)cn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600035854 1349959281 /nfs/dbraw/zinc/95/92/81/1349959281.db2.gz YMWLDVBROZYPBB-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1C ZINC001600164318 1349983466 /nfs/dbraw/zinc/98/34/66/1349983466.db2.gz KMSPRRIYKXWBOF-UHFFFAOYSA-N -1 0 345.355 2.487 20 5 EEBDRM Cc1cc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH]c1C(=O)[O-] ZINC001600194448 1349989997 /nfs/dbraw/zinc/98/99/97/1349989997.db2.gz HZXDPHDUOBVPTN-UHFFFAOYSA-N -1 0 344.371 2.252 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1Cl ZINC001600302340 1350015065 /nfs/dbraw/zinc/01/50/65/1350015065.db2.gz KKCQSQXEZYBMPF-QMMMGPOBSA-N -1 0 336.678 2.395 20 5 EEBDRM Cc1ccc(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)cc1[N+](=O)[O-] ZINC001600337537 1350023576 /nfs/dbraw/zinc/02/35/76/1350023576.db2.gz KXCOAMVIKNFCJK-UHFFFAOYSA-N -1 0 333.300 2.255 20 5 EEBDRM Cc1cccc(C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)[O-])c1 ZINC001600528024 1350074268 /nfs/dbraw/zinc/07/42/68/1350074268.db2.gz QXKZTFWFCATTSZ-AWEZNQCLSA-N -1 0 336.388 2.190 20 5 EEBDRM Cc1cnc(N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001600623886 1350100848 /nfs/dbraw/zinc/10/08/48/1350100848.db2.gz HGOSJBGYHQHQIK-UONOGXRCSA-N -1 0 343.339 2.308 20 5 EEBDRM Cc1nn(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001600787849 1350137529 /nfs/dbraw/zinc/13/75/29/1350137529.db2.gz ODWUALVAXKUMAG-GFCCVEGCSA-N -1 0 332.360 2.280 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC001600907251 1350164924 /nfs/dbraw/zinc/16/49/24/1350164924.db2.gz LAHYBDMIBRFNIB-UHFFFAOYSA-N -1 0 348.311 2.257 20 5 EEBDRM Nc1c(Cl)cc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001601211268 1350232381 /nfs/dbraw/zinc/23/23/81/1350232381.db2.gz OMAWBZDDROHQQS-JTQLQIEISA-N -1 0 341.751 2.300 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC001601240555 1350239687 /nfs/dbraw/zinc/23/96/87/1350239687.db2.gz ODXJKPJXJIUXJY-HWYHOQROSA-N -1 0 342.307 2.256 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001601571249 1350309872 /nfs/dbraw/zinc/30/98/72/1350309872.db2.gz FZUUSJBRAXDDHQ-OCCSQVGLSA-N -1 0 347.371 2.178 20 5 EEBDRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001601594101 1350314867 /nfs/dbraw/zinc/31/48/67/1350314867.db2.gz RHDJQZWTNVCQEF-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001601802643 1350368031 /nfs/dbraw/zinc/36/80/31/1350368031.db2.gz ZXUHZOWIWNIHOH-VXGBXAGGSA-N -1 0 348.355 2.075 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@H]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC001601807527 1350369001 /nfs/dbraw/zinc/36/90/01/1350369001.db2.gz HPAYMRCQFLZEIY-AAEUAGOBSA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001601950214 1350404294 /nfs/dbraw/zinc/40/42/94/1350404294.db2.gz LOQSULFYKAQOTB-VIFPVBQESA-N -1 0 344.726 2.396 20 5 EEBDRM O=C([O-])CCNC(=O)CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001602019012 1350420060 /nfs/dbraw/zinc/42/00/60/1350420060.db2.gz BMKUDRAWHSECSD-UHFFFAOYSA-N -1 0 349.265 2.007 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001602139474 1350448528 /nfs/dbraw/zinc/44/85/28/1350448528.db2.gz XVFPPABKASTWDJ-UHFFFAOYSA-N -1 0 342.311 2.165 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001602172953 1350457257 /nfs/dbraw/zinc/45/72/57/1350457257.db2.gz QERPJCZFHDYVHC-LBPRGKRZSA-N -1 0 326.736 2.256 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCCC2CCOCC2)cc([N+](=O)[O-])c1 ZINC001602246416 1350475639 /nfs/dbraw/zinc/47/56/39/1350475639.db2.gz YITKBBLXJIXDCV-UHFFFAOYSA-N -1 0 336.344 2.230 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc(C(F)F)ncn2)cc([N+](=O)[O-])c1 ZINC001602284433 1350485907 /nfs/dbraw/zinc/48/59/07/1350485907.db2.gz CRJJULSKPRNERI-UHFFFAOYSA-N -1 0 338.226 2.273 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCOc2ccc(F)cc2F)n1 ZINC001602405666 1350511842 /nfs/dbraw/zinc/51/18/42/1350511842.db2.gz DYJWXTQIZKKFOY-UHFFFAOYSA-N -1 0 339.254 2.457 20 5 EEBDRM O=C([O-])c1cnc(NC[C@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])c1 ZINC001602530472 1350539989 /nfs/dbraw/zinc/53/99/89/1350539989.db2.gz PYGNZKDDJSJBTA-APPZFPTMSA-N -1 0 335.238 2.210 20 5 EEBDRM O=C([O-])c1nc(N[C@@H]2C=CCC2)nc(N[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC001602570950 1350549462 /nfs/dbraw/zinc/54/94/62/1350549462.db2.gz NQDGWVOYIIVYBX-VHSXEESVSA-N -1 0 331.332 2.344 20 5 EEBDRM CC(C)(C)CC[C@@H](Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001603071327 1350632724 /nfs/dbraw/zinc/63/27/24/1350632724.db2.gz KNRPDBFQDZXHEQ-LLVKDONJSA-N -1 0 348.363 2.466 20 5 EEBDRM CC(C)(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001603239075 1350668120 /nfs/dbraw/zinc/66/81/20/1350668120.db2.gz JVYYQCOETNEDEE-RLFDGXBXSA-N -1 0 332.356 2.242 20 5 EEBDRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001604062527 1350843616 /nfs/dbraw/zinc/84/36/16/1350843616.db2.gz WPWGSHOZNOMCER-SKRYNEFJSA-N -1 0 332.234 2.373 20 5 EEBDRM C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@H](C)S1=O ZINC001604808461 1351012241 /nfs/dbraw/zinc/01/22/41/1351012241.db2.gz WYEIGLWTURMHMD-YUMQZZPRSA-N -1 0 346.792 2.292 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccncc1C(=O)[O-] ZINC001605062084 1351069560 /nfs/dbraw/zinc/06/95/60/1351069560.db2.gz XHDPQBIQFKAFDG-GFCCVEGCSA-N -1 0 343.339 2.317 20 5 EEBDRM CCCn1c(=O)[nH]nc1SCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605385244 1351150390 /nfs/dbraw/zinc/15/03/90/1351150390.db2.gz MAQGCQQYLUUHSH-UHFFFAOYSA-N -1 0 338.345 2.292 20 5 EEBDRM CCOC(=O)[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001605526487 1351180742 /nfs/dbraw/zinc/18/07/42/1351180742.db2.gz LVHGPXGLKOIOHG-MRVPVSSYSA-N -1 0 342.735 2.336 20 5 EEBDRM CCO[C@@H]1C[C@@H](Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])[C@@H]1SC ZINC001605652341 1351210555 /nfs/dbraw/zinc/21/05/55/1351210555.db2.gz SAKDDCPJFDHOSK-FOGDFJRCSA-N -1 0 341.389 2.317 20 5 EEBDRM CN(C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CCCCC1 ZINC001605965311 1351260098 /nfs/dbraw/zinc/26/00/98/1351260098.db2.gz YMQXPCRJIFIIHC-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM CNc1c(C(=O)Nc2cccc(OCC(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001606308980 1351291358 /nfs/dbraw/zinc/29/13/58/1351291358.db2.gz RMSGXDWASMLRRY-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001606575947 1351324745 /nfs/dbraw/zinc/32/47/45/1351324745.db2.gz AOFOTFPHPWEXHD-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM COc1cc(NC[C@H]2CCO[C@H]2C(=O)[O-])c(Cl)cc1[N+](=O)[O-] ZINC001607180899 1351444320 /nfs/dbraw/zinc/44/43/20/1351444320.db2.gz JHSLJMZBRUIACG-JMCQJSRRSA-N -1 0 330.724 2.158 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001607191955 1351446713 /nfs/dbraw/zinc/44/67/13/1351446713.db2.gz SZKUYIJBFXMTPK-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC001607205351 1351449082 /nfs/dbraw/zinc/44/90/82/1351449082.db2.gz GTRAFNGQMPCMRV-LBPRGKRZSA-N -1 0 336.344 2.367 20 5 EEBDRM Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)nc1C ZINC001607728118 1351547755 /nfs/dbraw/zinc/54/77/55/1351547755.db2.gz KYRJFRNLIIZBEY-QGZVFWFLSA-N -1 0 343.339 2.336 20 5 EEBDRM CO[C@H](C)[C@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036124 1367798906 /nfs/dbraw/zinc/79/89/06/1367798906.db2.gz OOLYENOOSGKKGA-NKWVEPMBSA-N -1 0 340.760 2.089 20 5 EEBDRM O=C(NCCN1CCc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000776121455 1368764305 /nfs/dbraw/zinc/76/43/05/1368764305.db2.gz FDTFDYIMYFGNSW-UHFFFAOYSA-N -1 0 327.340 2.093 20 5 EEBDRM CN(CC(F)F)C1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000780585789 1371166032 /nfs/dbraw/zinc/16/60/32/1371166032.db2.gz ABUNKFOPRWXDKH-UHFFFAOYSA-N -1 0 343.330 2.102 20 5 EEBDRM CN(CCc1cnccn1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001606141502 1404766559 /nfs/dbraw/zinc/76/65/59/1404766559.db2.gz YZHYSEUIBWZERU-UHFFFAOYSA-N -1 0 336.735 2.415 20 5 EEBDRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000170939834 1405728121 /nfs/dbraw/zinc/72/81/21/1405728121.db2.gz VKCQOKKSQKKIGI-LLVKDONJSA-N -1 0 328.390 2.472 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000846712480 790497194 /nfs/dbraw/zinc/49/71/94/790497194.db2.gz ALGPGGACTJXGMJ-SNVBAGLBSA-N -1 0 339.304 2.055 20 5 EEBDRM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000820309300 785861646 /nfs/dbraw/zinc/86/16/46/785861646.db2.gz YALXXVBBFPFJPM-GXSJLCMTSA-N -1 0 344.364 2.365 20 5 EEBDRM O=[N+]([O-])c1ccc(OS(=O)(=O)c2cn[n-]c2C(F)(F)F)cc1 ZINC000820739590 786456727 /nfs/dbraw/zinc/45/67/27/786456727.db2.gz OVTBCZIHGWJWKJ-UHFFFAOYSA-N -1 0 337.235 2.104 20 5 EEBDRM O=C(NC[C@@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000028075105 786496283 /nfs/dbraw/zinc/49/62/83/786496283.db2.gz GBKCLDXJDAURID-LLVKDONJSA-N -1 0 328.324 2.282 20 5 EEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@@H](C)CC ZINC000821603131 786817063 /nfs/dbraw/zinc/81/70/63/786817063.db2.gz LIONBHACZKJSNY-JTQLQIEISA-N -1 0 343.405 2.268 20 5 EEBDRM Cc1noc([C@H]2CCCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000844208464 788927413 /nfs/dbraw/zinc/92/74/13/788927413.db2.gz UGTLUFXPZFDNMY-LBPRGKRZSA-N -1 0 346.343 2.297 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@H]2COC3(CCCC3)O2)c([N+](=O)[O-])c1 ZINC000844211235 788929540 /nfs/dbraw/zinc/92/95/40/788929540.db2.gz VHEWKTGIPMTRII-LBPRGKRZSA-N -1 0 336.344 2.320 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCO[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000844212167 788930060 /nfs/dbraw/zinc/93/00/60/788930060.db2.gz CMLGHHKIEOTTAB-HNNXBMFYSA-N -1 0 332.312 2.393 20 5 EEBDRM CCn1nc(C)c(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000844215905 788934388 /nfs/dbraw/zinc/93/43/88/788934388.db2.gz KRBOYWLZHYMECR-FNORWQNLSA-N -1 0 331.332 2.225 20 5 EEBDRM Cn1cc2c(n1)CCC[C@H]2Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844216524 788935590 /nfs/dbraw/zinc/93/55/90/788935590.db2.gz DTHJGOGYXPKWCD-GFCCVEGCSA-N -1 0 330.344 2.445 20 5 EEBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1)[N+](=O)[O-] ZINC000845889514 789981019 /nfs/dbraw/zinc/98/10/19/789981019.db2.gz VUDNKCJLXKHDII-UHFFFAOYSA-N -1 0 348.808 2.122 20 5 EEBDRM CC(=O)N1Cc2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2C1 ZINC001116515342 795454500 /nfs/dbraw/zinc/45/45/00/795454500.db2.gz HXZMBGCXIAURRF-UHFFFAOYSA-N -1 0 341.323 2.415 20 5 EEBDRM O=C(NC[C@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1[O-] ZINC000130511102 798173317 /nfs/dbraw/zinc/17/33/17/798173317.db2.gz RLSHQQYJFSVPCS-ZDUSSCGKSA-N -1 0 336.731 2.417 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCN(CC(F)F)C1 ZINC000867004471 803924783 /nfs/dbraw/zinc/92/47/83/803924783.db2.gz RXKOGDQRQBKNAW-VIFPVBQESA-N -1 0 329.303 2.216 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C(=O)[O-])cc1 ZINC000346013738 939128424 /nfs/dbraw/zinc/12/84/24/939128424.db2.gz JWQUJBVBWKLYES-OAHLLOKOSA-N -1 0 344.323 2.468 20 5 EEBDRM Cc1c(Br)cc(-c2nc(CC(=O)[O-])no2)cc1[N+](=O)[O-] ZINC001611118666 970896380 /nfs/dbraw/zinc/89/63/80/970896380.db2.gz NWMUMRREGHJHPP-UHFFFAOYSA-N -1 0 342.105 2.343 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC001602815009 971612949 /nfs/dbraw/zinc/61/29/49/971612949.db2.gz SNBKEKIFBRJXHJ-JTQLQIEISA-N -1 0 331.328 2.014 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001589192729 956601729 /nfs/dbraw/zinc/60/17/29/956601729.db2.gz FCIMJEUTESABJO-MRXNPFEDSA-N -1 0 344.327 2.472 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001589196134 956608748 /nfs/dbraw/zinc/60/87/48/956608748.db2.gz CWEHEKHDZHYETD-KRWDZBQOSA-N -1 0 343.339 2.267 20 5 EEBDRM C[C@@H](CN(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C(=O)[O-] ZINC001603151787 972251287 /nfs/dbraw/zinc/25/12/87/972251287.db2.gz GUHFFROVJFFJNF-VIFPVBQESA-N -1 0 332.316 2.327 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001574783447 957785640 /nfs/dbraw/zinc/78/56/40/957785640.db2.gz VKGDDFDPDUNQTF-QMMMGPOBSA-N -1 0 344.270 2.133 20 5 EEBDRM COc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001594050764 957985910 /nfs/dbraw/zinc/98/59/10/957985910.db2.gz MMKURXDDPNARAK-LDYMZIIASA-N -1 0 340.307 2.210 20 5 EEBDRM Cc1cccc([C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001594397788 958787601 /nfs/dbraw/zinc/78/76/01/958787601.db2.gz ORUGFOJDJGEAHS-INIZCTEOSA-N -1 0 328.324 2.388 20 5 EEBDRM Cc1cccc([C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594400019 958844870 /nfs/dbraw/zinc/84/48/70/958844870.db2.gz WOENQMRGEQXWRW-LBPRGKRZSA-N -1 0 346.343 2.305 20 5 EEBDRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001588549002 959006240 /nfs/dbraw/zinc/00/62/40/959006240.db2.gz QEJDCTRVIPSCMS-JBLDHEPKSA-N -1 0 338.335 2.407 20 5 EEBDRM C[C@@H](C(=O)[O-])c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC001588600256 959417746 /nfs/dbraw/zinc/41/77/46/959417746.db2.gz URONVPXLEXEBRE-MRVPVSSYSA-N -1 0 329.272 2.019 20 5 EEBDRM C[C@@H](C(=O)[O-])c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC001588604688 959471518 /nfs/dbraw/zinc/47/15/18/959471518.db2.gz WZIKKEIPDJKRND-HQJQHLMTSA-N -1 0 332.272 2.032 20 5 EEBDRM CC(C)(C)CC[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001588644708 959722190 /nfs/dbraw/zinc/72/21/90/959722190.db2.gz ALKFMMDGJHRDFZ-QWHCGFSZSA-N -1 0 338.360 2.024 20 5 EEBDRM C[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C(=O)[O-] ZINC001573727856 960422462 /nfs/dbraw/zinc/42/24/62/960422462.db2.gz ZYASBVJCBVIUHN-IINYFYTJSA-N -1 0 345.355 2.188 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001319853139 960961969 /nfs/dbraw/zinc/96/19/69/960961969.db2.gz NGPUBXVRXHBPCZ-UHFFFAOYSA-N -1 0 333.300 2.166 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001574507243 961788990 /nfs/dbraw/zinc/78/89/90/961788990.db2.gz RIXPGCCFPXISIP-AWEZNQCLSA-N -1 0 341.323 2.001 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574507646 961792030 /nfs/dbraw/zinc/79/20/30/961792030.db2.gz UUMLQUVDCJBGBQ-SWLSCSKDSA-N -1 0 341.323 2.220 20 5 EEBDRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001592220149 977392334 /nfs/dbraw/zinc/39/23/34/977392334.db2.gz WQGPQHAXAPADAO-NOKZVFQSSA-N -1 0 347.352 2.477 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H](C2CCC2)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000864202201 979881281 /nfs/dbraw/zinc/88/12/81/979881281.db2.gz PICGEJQFHJEGKR-XHDPSFHLSA-N -1 0 348.355 2.228 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000864210403 979894612 /nfs/dbraw/zinc/89/46/12/979894612.db2.gz NTZFVAKBQHRXIM-FTGAXOIBSA-N -1 0 338.747 2.160 20 5 EEBDRM CC[C@@H](Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001595317265 980490031 /nfs/dbraw/zinc/49/00/31/980490031.db2.gz POWPDTBBHNIYFS-BXKDBHETSA-N -1 0 335.360 2.398 20 5 EEBDRM CCC[C@@H](CC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001595587233 981539864 /nfs/dbraw/zinc/53/98/64/981539864.db2.gz GHRPNGSRKASHDB-SECBINFHSA-N -1 0 330.362 2.150 20 5 EEBDRM CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596242132 983641357 /nfs/dbraw/zinc/64/13/57/983641357.db2.gz SPNLPLNWEMJZGF-HNNXBMFYSA-N -1 0 349.387 2.126 20 5 EEBDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC001589678048 987700679 /nfs/dbraw/zinc/70/06/79/987700679.db2.gz TWVTULYAAVMJGC-UHFFFAOYSA-N -1 0 333.304 2.255 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC001599822019 988531003 /nfs/dbraw/zinc/53/10/03/988531003.db2.gz BGEXTHIZSHBVGB-ZDUSSCGKSA-N -1 0 330.337 2.249 20 5 EEBDRM CSc1cccc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)c1[N+](=O)[O-] ZINC001599822769 988542656 /nfs/dbraw/zinc/54/26/56/988542656.db2.gz WPYHODCTIDWJEF-LBPRGKRZSA-N -1 0 347.352 2.267 20 5 EEBDRM CN(Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598506109 992505177 /nfs/dbraw/zinc/50/51/77/992505177.db2.gz UUFQBWNBAGWCAG-AWEZNQCLSA-N -1 0 344.314 2.327 20 5 EEBDRM CC(C)C[C@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001591453873 992561545 /nfs/dbraw/zinc/56/15/45/992561545.db2.gz WOMXCUBYSIINDD-LBPRGKRZSA-N -1 0 326.324 2.282 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001591657256 992988635 /nfs/dbraw/zinc/98/86/35/992988635.db2.gz JWCDFWBDFIIOJX-LBPRGKRZSA-N -1 0 335.360 2.034 20 5 EEBDRM C[C@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001593108579 993766174 /nfs/dbraw/zinc/76/61/74/993766174.db2.gz FXXWIGABSJCJFK-FASAMLHVSA-N -1 0 347.371 2.454 20 5 EEBDRM COc1cccc(C(=O)[O-])c1OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001599645057 994413634 /nfs/dbraw/zinc/41/36/34/994413634.db2.gz XKQWCLKGEGIIHY-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM COC1(c2ccccc2)CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599093281 997232200 /nfs/dbraw/zinc/23/22/00/997232200.db2.gz FBOVBZWNPBBPME-UHFFFAOYSA-N -1 0 329.312 2.050 20 5 EEBDRM CON(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H](C)CC(=O)[O-] ZINC001599314868 997481079 /nfs/dbraw/zinc/48/10/79/997481079.db2.gz XVQSWUKWKLHIRA-ZCFIWIBFSA-N -1 0 334.687 2.254 20 5 EEBDRM COc1ccc(CN(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1 ZINC001599558329 998137247 /nfs/dbraw/zinc/13/72/47/998137247.db2.gz FSDHQUKTCUNRKX-UHFFFAOYSA-N -1 0 331.328 2.329 20 5 EEBDRM C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001594400547 999498974 /nfs/dbraw/zinc/49/89/74/999498974.db2.gz HVCCTXUNFDOCAR-QMTHXVAHSA-N -1 0 338.335 2.378 20 5 EEBDRM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179421784 304004228 /nfs/dbraw/zinc/00/42/28/304004228.db2.gz COSIYEISNMUPCH-UHFFFAOYSA-N -1 0 327.296 2.437 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCN(c2nccs2)CC1 ZINC000181928665 234382227 /nfs/dbraw/zinc/38/22/27/234382227.db2.gz WMFSKSMXDSODDW-UHFFFAOYSA-N -1 0 348.384 2.109 20 5 EEBDRM O=C([O-])CCCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000238163980 304047465 /nfs/dbraw/zinc/04/74/65/304047465.db2.gz XSEOWAQESVVUIN-UHFFFAOYSA-N -1 0 346.343 2.155 20 5 EEBDRM C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262779305 245173858 /nfs/dbraw/zinc/17/38/58/245173858.db2.gz NTDBBPXZYBVNPO-ZETCQYMHSA-N -1 0 332.765 2.177 20 5 EEBDRM C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000262836130 245202953 /nfs/dbraw/zinc/20/29/53/245202953.db2.gz COZJQPZAJSXHRB-SKDRFNHKSA-N -1 0 340.763 2.360 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000262883323 245231899 /nfs/dbraw/zinc/23/18/99/245231899.db2.gz HGFURLAKCXOFSR-LBPRGKRZSA-N -1 0 331.328 2.015 20 5 EEBDRM CCC[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263168326 245350317 /nfs/dbraw/zinc/35/03/17/245350317.db2.gz KJLZLGFOCOSTNI-CYBMUJFWSA-N -1 0 349.387 2.426 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000263430074 245416481 /nfs/dbraw/zinc/41/64/81/245416481.db2.gz KLKQEZURXPNBIL-WDEREUQCSA-N -1 0 335.360 2.034 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1 ZINC000164983517 255811993 /nfs/dbraw/zinc/81/19/93/255811993.db2.gz NLUYJADMEHFMGH-BDJLRTHQSA-N -1 0 330.340 2.022 20 5 EEBDRM O=C(NC[C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000178537664 255909288 /nfs/dbraw/zinc/90/92/88/255909288.db2.gz FUAHVGKGXURFKH-ZDUSSCGKSA-N -1 0 330.340 2.196 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000271100972 256208417 /nfs/dbraw/zinc/20/84/17/256208417.db2.gz YGXJFHAVWQCUAK-JTQLQIEISA-N -1 0 344.389 2.085 20 5 EEBDRM CCCN(CC(=O)OC(C)(C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000273420690 256294890 /nfs/dbraw/zinc/29/48/90/256294890.db2.gz HAGAJRHDGPPYNQ-UHFFFAOYSA-N -1 0 338.360 2.494 20 5 EEBDRM COCCn1nc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1C ZINC000119102723 221245514 /nfs/dbraw/zinc/24/55/14/221245514.db2.gz PHWMZTAPPLRYQK-UHFFFAOYSA-N -1 0 334.332 2.012 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000119738465 221390506 /nfs/dbraw/zinc/39/05/06/221390506.db2.gz BDWKTLZXWPUVAH-HNNXBMFYSA-N -1 0 342.351 2.384 20 5 EEBDRM COCCCN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179485413 533285515 /nfs/dbraw/zinc/28/55/15/533285515.db2.gz MPKXTPBHRNHUSI-UHFFFAOYSA-N -1 0 345.355 2.374 20 5 EEBDRM COc1cc([C@H]2NC(=O)c3ccccc3N2C)cc([N+](=O)[O-])c1[O-] ZINC000024098653 135552373 /nfs/dbraw/zinc/55/23/73/135552373.db2.gz QPCSJRBKSYCBCV-HNNXBMFYSA-N -1 0 329.312 2.187 20 5 EEBDRM CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000117084280 292236343 /nfs/dbraw/zinc/23/63/43/292236343.db2.gz LMBKUAZIFMVYKI-SNAWJCMRSA-N -1 0 330.337 2.141 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C)cc1O ZINC000356037874 153258695 /nfs/dbraw/zinc/25/86/95/153258695.db2.gz RQUIGDINTUWWOY-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM C[S@](=O)Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000127040074 292319135 /nfs/dbraw/zinc/31/91/35/292319135.db2.gz QBRLCQVRGWELOL-HSZRJFAPSA-N -1 0 334.353 2.431 20 5 EEBDRM C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])NC(=O)C1CCCC1 ZINC000089540943 159183178 /nfs/dbraw/zinc/18/31/78/159183178.db2.gz PSZHKZLRMGLQLM-SNVBAGLBSA-N -1 0 335.360 2.324 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2N(C)C)c([N+](=O)[O-])c1 ZINC000105565681 159302118 /nfs/dbraw/zinc/30/21/18/159302118.db2.gz QOAYFJBTFXQKAV-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM COCc1nc(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s[n-]1 ZINC000344050678 161193749 /nfs/dbraw/zinc/19/37/49/161193749.db2.gz PVNQYMIYKMKQCD-UHFFFAOYSA-N -1 0 334.313 2.013 20 5 EEBDRM O=C([O-])c1ccn(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000346020030 161350448 /nfs/dbraw/zinc/35/04/48/161350448.db2.gz VSTZBEKPEAHITJ-UHFFFAOYSA-N -1 0 341.283 2.059 20 5 EEBDRM COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)nc1C ZINC000355363263 163163283 /nfs/dbraw/zinc/16/32/83/163163283.db2.gz HBXWYBLTLARKCC-UHFFFAOYSA-N -1 0 337.313 2.104 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cn1 ZINC000360857804 164391358 /nfs/dbraw/zinc/39/13/58/164391358.db2.gz JWDQKEAJRLPTFX-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[nH]1 ZINC000277820591 269186974 /nfs/dbraw/zinc/18/69/74/269186974.db2.gz LOXRHFJVDXHBCP-DTWKUNHWSA-N -1 0 333.348 2.423 20 5 EEBDRM COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000181975533 274010360 /nfs/dbraw/zinc/01/03/60/274010360.db2.gz LXXLLBLOONZPTQ-UHFFFAOYSA-N -1 0 334.303 2.421 20 5 EEBDRM COC(=O)[C@]12CN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C[C@H]1CCCC2 ZINC000286337614 274861699 /nfs/dbraw/zinc/86/16/99/274861699.db2.gz RUIFYVKLZPDIFY-PIGZYNQJSA-N -1 0 348.355 2.106 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000288014739 275015111 /nfs/dbraw/zinc/01/51/11/275015111.db2.gz WGRRLUGMPJXHPE-CYBMUJFWSA-N -1 0 348.277 2.220 20 5 EEBDRM CSc1nn(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(=O)[n-]1 ZINC000194579668 278180852 /nfs/dbraw/zinc/18/08/52/278180852.db2.gz MOHUOVUFMPTUON-UHFFFAOYSA-N -1 0 334.279 2.269 20 5 EEBDRM CN1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2C1=O ZINC000134385776 290253395 /nfs/dbraw/zinc/25/33/95/290253395.db2.gz KMMULUORLQWKSY-UHFFFAOYSA-N -1 0 341.323 2.181 20 5 EEBDRM COc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1NC(N)=O ZINC000355732263 295001232 /nfs/dbraw/zinc/00/12/32/295001232.db2.gz JSJUDASMYFCJRL-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM Cn1nccc1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000367292462 303074402 /nfs/dbraw/zinc/07/44/02/303074402.db2.gz RUOVGMBNXWKYOL-LLVKDONJSA-N -1 0 330.344 2.054 20 5 EEBDRM Cc1cc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC000170747208 311395474 /nfs/dbraw/zinc/39/54/74/311395474.db2.gz BOCFBHXKFWLLDZ-UHFFFAOYSA-N -1 0 340.295 2.499 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c([N+](=O)[O-])n1 ZINC000435719360 314919782 /nfs/dbraw/zinc/91/97/82/314919782.db2.gz LQUVBWKVAQGXEI-UHFFFAOYSA-N -1 0 348.743 2.405 20 5 EEBDRM CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)OC(C)(C)C ZINC000436885255 315009229 /nfs/dbraw/zinc/00/92/29/315009229.db2.gz GXVKILFPBHBQMA-ZDUSSCGKSA-N -1 0 338.360 2.397 20 5 EEBDRM COC(=O)COc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436953746 315015962 /nfs/dbraw/zinc/01/59/62/315015962.db2.gz RTXQYLBSXJLQMS-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H](CC)CN1C(C)=O ZINC000436967522 315017186 /nfs/dbraw/zinc/01/71/86/315017186.db2.gz PUASRQWMJLLXOT-CHWSQXEVSA-N -1 0 349.387 2.162 20 5 EEBDRM COC(=O)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC000436988279 315020314 /nfs/dbraw/zinc/02/03/14/315020314.db2.gz XAHDKXGDWZOYHK-GFCCVEGCSA-N -1 0 342.307 2.217 20 5 EEBDRM CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000545558656 318222622 /nfs/dbraw/zinc/22/26/22/318222622.db2.gz VVJUZXKCJRZTGD-KOLCDFICSA-N -1 0 342.373 2.102 20 5 EEBDRM COc1cc(/C=C(\C)c2cnccn2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000548139709 318358764 /nfs/dbraw/zinc/35/87/64/318358764.db2.gz RLCAJHQAEHBYHY-BJMVGYQFSA-N -1 0 345.311 2.417 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000560914749 318817647 /nfs/dbraw/zinc/81/76/47/318817647.db2.gz LIAHFNOYTWJQSG-ZDUSSCGKSA-N -1 0 335.360 2.034 20 5 EEBDRM CC[C@@H](C[C@H](C)CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565027534 319140513 /nfs/dbraw/zinc/14/05/13/319140513.db2.gz URCXGPFTGIOPMC-WPRPVWTQSA-N -1 0 330.768 2.481 20 5 EEBDRM Cc1noc([C@H]2CCCN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])C2)n1 ZINC000566294183 319271084 /nfs/dbraw/zinc/27/10/84/319271084.db2.gz ASDVZHYMSXMIRD-JTQLQIEISA-N -1 0 347.331 2.072 20 5 EEBDRM CCC[C@@](C)(NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000570925911 319710807 /nfs/dbraw/zinc/71/08/07/319710807.db2.gz OQFLKBFKTNJWFJ-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@@H]1COCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000577399796 320253841 /nfs/dbraw/zinc/25/38/41/320253841.db2.gz LUSKWPAEBVGTBQ-BDAKNGLRSA-N -1 0 328.752 2.356 20 5 EEBDRM CNc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1[N+](=O)[O-] ZINC000580992130 324164024 /nfs/dbraw/zinc/16/40/24/324164024.db2.gz OPYTXFSGVSAIQB-INIZCTEOSA-N -1 0 335.360 2.209 20 5 EEBDRM CC[C@H](C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000582060618 324370766 /nfs/dbraw/zinc/37/07/66/324370766.db2.gz SNHIHLZPXFJOTG-VIFPVBQESA-N -1 0 344.389 2.268 20 5 EEBDRM CC(C)N1CC[C@@H]([N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1=O ZINC000486983949 447826772 /nfs/dbraw/zinc/82/67/72/447826772.db2.gz RWYWKGOHPQSZKX-GFCCVEGCSA-N -1 0 331.332 2.066 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(Cc2ccccn2)CC1 ZINC000339040992 465043717 /nfs/dbraw/zinc/04/37/17/465043717.db2.gz LQNJLMSNJYQINW-UHFFFAOYSA-N -1 0 328.372 2.013 20 5 EEBDRM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000339086286 465073471 /nfs/dbraw/zinc/07/34/71/465073471.db2.gz ZXUMWMTZZKNFQS-LLVKDONJSA-N -1 0 340.343 2.127 20 5 EEBDRM CC1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000339148106 465108482 /nfs/dbraw/zinc/10/84/82/465108482.db2.gz LNRCMWHBNJKSDG-KRWDZBQOSA-N -1 0 336.388 2.460 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000358602748 465215837 /nfs/dbraw/zinc/21/58/37/465215837.db2.gz CFTQIMLBYVWQGC-UHFFFAOYSA-N -1 0 332.287 2.405 20 5 EEBDRM CNC(=O)Nc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356310362 465305013 /nfs/dbraw/zinc/30/50/13/465305013.db2.gz HOHSZEGELYMKMI-UHFFFAOYSA-N -1 0 330.300 2.304 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cnn(CC(F)F)c1 ZINC000116710427 462769313 /nfs/dbraw/zinc/76/93/13/462769313.db2.gz UWVXZZQRENDAHD-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc2c(cn1)CCC2 ZINC000590742947 468321487 /nfs/dbraw/zinc/32/14/87/468321487.db2.gz BCPYVFLTBYKAEO-UHFFFAOYSA-N -1 0 349.368 2.288 20 5 EEBDRM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000030530099 463302717 /nfs/dbraw/zinc/30/27/17/463302717.db2.gz UAJIXQARYHLNFG-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM O=c1[n-]c(CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000080759661 463353231 /nfs/dbraw/zinc/35/32/31/463353231.db2.gz HJTQFSMYWSWQSI-UHFFFAOYSA-N -1 0 331.254 2.070 20 5 EEBDRM CN(CCN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000568633841 468367184 /nfs/dbraw/zinc/36/71/84/468367184.db2.gz MTYJYRZOSANXIY-UHFFFAOYSA-N -1 0 330.344 2.261 20 5 EEBDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000178199068 463859148 /nfs/dbraw/zinc/85/91/48/463859148.db2.gz VABQOLHVHSQNRW-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000277149481 463889919 /nfs/dbraw/zinc/88/99/19/463889919.db2.gz DAUWRTRVLYBKGY-UHFFFAOYSA-N -1 0 333.266 2.299 20 5 EEBDRM CCO[C@@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C12CCC2 ZINC000262345253 464007159 /nfs/dbraw/zinc/00/71/59/464007159.db2.gz AHSQFNVAKKZSFG-ZIAGYGMSSA-N -1 0 348.355 2.371 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000262398157 464019409 /nfs/dbraw/zinc/01/94/09/464019409.db2.gz UHRQFPZKLOSSEV-UHFFFAOYSA-N -1 0 342.373 2.262 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263138923 464058731 /nfs/dbraw/zinc/05/87/31/464058731.db2.gz GMQQEEFVFUGUAO-AAEUAGOBSA-N -1 0 349.387 2.280 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000263285793 464077181 /nfs/dbraw/zinc/07/71/81/464077181.db2.gz ZIOWQEZECLCFIV-UWVGGRQHSA-N -1 0 329.312 2.078 20 5 EEBDRM CCOc1ccc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263371360 464093719 /nfs/dbraw/zinc/09/37/19/464093719.db2.gz VLUVXXNTJYJZDA-PWSUYJOCSA-N -1 0 336.344 2.176 20 5 EEBDRM CC(C)Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000179432988 464134863 /nfs/dbraw/zinc/13/48/63/464134863.db2.gz OHSYOXWWJFSBNQ-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1c1ncc([N+](=O)[O-])s1 ZINC000292421626 464227483 /nfs/dbraw/zinc/22/74/83/464227483.db2.gz WOLNNAQREMHDDP-RNFRBKRXSA-N -1 0 338.311 2.087 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000237028683 464252938 /nfs/dbraw/zinc/25/29/38/464252938.db2.gz CKCSYDLDPWMRPB-IAQYHMDHSA-N -1 0 337.376 2.402 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000238040517 464423860 /nfs/dbraw/zinc/42/38/60/464423860.db2.gz ZHHYIQRTUCZRDD-ZDUSSCGKSA-N -1 0 333.344 2.248 20 5 EEBDRM Cc1ccc([C@H]2COCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC000272581574 464668463 /nfs/dbraw/zinc/66/84/63/464668463.db2.gz UJRLKEQRRKAWNK-CQSZACIVSA-N -1 0 332.312 2.416 20 5 EEBDRM O=C(NCc1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184655653 465014165 /nfs/dbraw/zinc/01/41/65/465014165.db2.gz HJTZXCPZYNORKD-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C(c1cc(F)cc2n[nH]nc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000337518526 465409593 /nfs/dbraw/zinc/40/95/93/465409593.db2.gz WNRRIVOBGGMOGP-UHFFFAOYSA-N -1 0 327.275 2.208 20 5 EEBDRM O=C([O-])CCCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591270044 468435745 /nfs/dbraw/zinc/43/57/45/468435745.db2.gz OEQWXKDFCCVPIS-UHFFFAOYSA-N -1 0 343.767 2.345 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(CCCO)Cc1ccccc1 ZINC000356808062 465551435 /nfs/dbraw/zinc/55/14/35/465551435.db2.gz XEFFIQRAFUEJBO-UHFFFAOYSA-N -1 0 330.340 2.325 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nc2nccc(C)n2n1 ZINC000362345505 465665828 /nfs/dbraw/zinc/66/58/28/465665828.db2.gz NLAWUIVSBCZVOI-UHFFFAOYSA-N -1 0 326.316 2.156 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)nn(C)c1C ZINC000299282442 465681452 /nfs/dbraw/zinc/68/14/52/465681452.db2.gz DQIOQADYFFFQQX-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cnc3c(c2)COCC3)cc1[N+](=O)[O-] ZINC000371489640 465831360 /nfs/dbraw/zinc/83/13/60/465831360.db2.gz RBWJZVWFWLGFPO-UHFFFAOYSA-N -1 0 349.368 2.172 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC000357350857 465972668 /nfs/dbraw/zinc/97/26/68/465972668.db2.gz AILOFALYNFHRJV-UHFFFAOYSA-N -1 0 336.373 2.315 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cncs1 ZINC000338428733 466119926 /nfs/dbraw/zinc/11/99/26/466119926.db2.gz XFADWZJUDSRJFA-ZETCQYMHSA-N -1 0 331.350 2.230 20 5 EEBDRM COc1cc(CNc2ccc(C(N)=O)c(F)c2)cc([N+](=O)[O-])c1[O-] ZINC000340560418 466172591 /nfs/dbraw/zinc/17/25/91/466172591.db2.gz VETWONPMJMAMEU-UHFFFAOYSA-N -1 0 335.291 2.159 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000372229025 466237438 /nfs/dbraw/zinc/23/74/38/466237438.db2.gz XCIFXISBNJCHMV-QGZVFWFLSA-N -1 0 346.314 2.173 20 5 EEBDRM Cc1cn2c(n1)[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])CCC2 ZINC000569488307 468499045 /nfs/dbraw/zinc/49/90/45/468499045.db2.gz AINKBEHZZWGUEF-SNVBAGLBSA-N -1 0 331.332 2.182 20 5 EEBDRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccncc1[N+](=O)[O-] ZINC000347359434 466588777 /nfs/dbraw/zinc/58/87/77/466588777.db2.gz VHGOEHXSAYJAQK-UHFFFAOYSA-N -1 0 327.749 2.174 20 5 EEBDRM O=C([O-])C[C@H]1CSCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000320638690 466611879 /nfs/dbraw/zinc/61/18/79/466611879.db2.gz HQRJSZLEQGHKMJ-FJOGCWAESA-N -1 0 336.369 2.027 20 5 EEBDRM C[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C(=O)[O-] ZINC000424256551 467014516 /nfs/dbraw/zinc/01/45/16/467014516.db2.gz AOMIRXBQALOBCJ-YGRLFVJLSA-N -1 0 346.343 2.330 20 5 EEBDRM O=C(Nc1cc(CSCCO)ccn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436616408 467547505 /nfs/dbraw/zinc/54/75/05/467547505.db2.gz JUHNIYZHOHFGCA-UHFFFAOYSA-N -1 0 349.368 2.173 20 5 EEBDRM COC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1O ZINC000436774305 467554398 /nfs/dbraw/zinc/55/43/98/467554398.db2.gz AOWRNYKUXYHRBG-UHFFFAOYSA-N -1 0 332.268 2.045 20 5 EEBDRM C[S@](=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000442327545 467574125 /nfs/dbraw/zinc/57/41/25/467574125.db2.gz FEASWIZGRDKLCH-NRFANRHFSA-N -1 0 340.382 2.133 20 5 EEBDRM CC[C@@H]1CN(CCNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CCO1 ZINC000582490706 468549307 /nfs/dbraw/zinc/54/93/07/468549307.db2.gz CQBIFVKWWPKXJX-GFCCVEGCSA-N -1 0 337.376 2.124 20 5 EEBDRM C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594460881 468595274 /nfs/dbraw/zinc/59/52/74/468595274.db2.gz AVBFBYYAGXNXPK-DDTOSNHZSA-N -1 0 334.372 2.389 20 5 EEBDRM Cc1cccc2c1C[C@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])CO2 ZINC000600677692 468618688 /nfs/dbraw/zinc/61/86/88/468618688.db2.gz JJCRAGXHCSTWND-JTQLQIEISA-N -1 0 329.312 2.412 20 5 EEBDRM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC000600677841 468618701 /nfs/dbraw/zinc/61/87/01/468618701.db2.gz BWBKEDFOYVPRHU-HQJQHLMTSA-N -1 0 334.250 2.292 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000592204452 468654606 /nfs/dbraw/zinc/65/46/06/468654606.db2.gz DKDGZOGVJUKIMX-MJVIPROJSA-N -1 0 335.360 2.408 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O[C@H]3CCOC3)cc2)[nH]1 ZINC000594697726 468656634 /nfs/dbraw/zinc/65/66/34/468656634.db2.gz YDUXHKUOURSMBJ-RYBZSIHZSA-N -1 0 345.311 2.134 20 5 EEBDRM CC(C)CO[C@@H](C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875407 468672673 /nfs/dbraw/zinc/67/26/73/468672673.db2.gz JRVBJQUKOHGMSG-ZBEGNZNMSA-N -1 0 338.360 2.072 20 5 EEBDRM COc1ccc(CC(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000600879614 468674370 /nfs/dbraw/zinc/67/43/70/468674370.db2.gz XQZFJEQSGUZQIV-UHFFFAOYSA-N -1 0 348.311 2.062 20 5 EEBDRM C[C@H](Cc1ccco1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600881698 468674677 /nfs/dbraw/zinc/67/46/77/468674677.db2.gz OUGKGYNNRDZIKR-PIGZYNQJSA-N -1 0 346.339 2.483 20 5 EEBDRM CCOc1ccc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000592468341 468704614 /nfs/dbraw/zinc/70/46/14/468704614.db2.gz RVXIBYXTDKFVJR-JQWIXIFHSA-N -1 0 336.344 2.176 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000595245412 468791911 /nfs/dbraw/zinc/79/19/11/468791911.db2.gz OIQGAFXOAUJVEE-YDHLFZDLSA-N -1 0 347.371 2.404 20 5 EEBDRM CO[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000595366026 468826923 /nfs/dbraw/zinc/82/69/23/468826923.db2.gz REZPHPZNJMATKQ-CYBMUJFWSA-N -1 0 346.380 2.217 20 5 EEBDRM CC(C)(C)c1cc(NCc2cccc([N+](=O)[O-])c2)nc(C(=O)[O-])n1 ZINC000592968636 468830192 /nfs/dbraw/zinc/83/01/92/468830192.db2.gz XFKDASPCPVJSRP-UHFFFAOYSA-N -1 0 330.344 2.415 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](CCO)c2ccccc2)n1 ZINC000592973080 468831713 /nfs/dbraw/zinc/83/17/13/468831713.db2.gz STPYVPXFHZQLCL-GFCCVEGCSA-N -1 0 331.328 2.266 20 5 EEBDRM O=C([O-])c1cnc(N[C@@H]2CCO[C@@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000592977479 468832930 /nfs/dbraw/zinc/83/29/30/468832930.db2.gz LOCIRPHGCRUIBN-TZMCWYRMSA-N -1 0 344.327 2.415 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1(C(=O)[O-])CCCC1 ZINC000592980957 468833256 /nfs/dbraw/zinc/83/32/56/468833256.db2.gz YBUGYDJRTCEIPV-UHFFFAOYSA-N -1 0 342.373 2.055 20 5 EEBDRM Cc1ccc(NCCCNC(=O)C2(C(=O)[O-])CCC2)c([N+](=O)[O-])c1 ZINC000584412468 468866234 /nfs/dbraw/zinc/86/62/34/468866234.db2.gz NEYQOUOAXAUIRF-UHFFFAOYSA-N -1 0 335.360 2.076 20 5 EEBDRM O=C(NC[C@H]1CCN1Cc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598508367 468893638 /nfs/dbraw/zinc/89/36/38/468893638.db2.gz HCBCKFFCODBRQL-OAHLLOKOSA-N -1 0 341.367 2.305 20 5 EEBDRM CCOc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000610483447 468981402 /nfs/dbraw/zinc/98/14/02/468981402.db2.gz JMGSPNSDIWJBBD-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM O=C([O-])c1cc(/C=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)ncn1 ZINC000611182778 469186693 /nfs/dbraw/zinc/18/66/93/469186693.db2.gz COKZDXMZBNSNGU-OWOJBTEDSA-N -1 0 329.268 2.025 20 5 EEBDRM CCC1(O)CCC([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000611314182 469225986 /nfs/dbraw/zinc/22/59/86/469225986.db2.gz WJGATRTWHKDRSY-UHFFFAOYSA-N -1 0 346.380 2.096 20 5 EEBDRM COC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1C ZINC000611461590 469254080 /nfs/dbraw/zinc/25/40/80/469254080.db2.gz OLLYQLJGEWQZHB-UHFFFAOYSA-N -1 0 337.313 2.104 20 5 EEBDRM O=C(NC[C@@H]1OCCc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611556628 469278483 /nfs/dbraw/zinc/27/84/83/469278483.db2.gz XDYOWTDJCHUQKI-INIZCTEOSA-N -1 0 328.324 2.344 20 5 EEBDRM COc1cccc(C[C@H](C)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000574760283 469279512 /nfs/dbraw/zinc/27/95/12/469279512.db2.gz ZFJQBIVXLDHXCJ-JTQLQIEISA-N -1 0 345.355 3.048 20 5 EEBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n(C2CCOCC2)n1 ZINC000599713052 469346833 /nfs/dbraw/zinc/34/68/33/469346833.db2.gz DEXJQBJATDLHPI-UHFFFAOYSA-N -1 0 346.343 2.409 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000612433596 469463678 /nfs/dbraw/zinc/46/36/78/469463678.db2.gz IQXMHDXSKOBSHZ-UHFFFAOYSA-N -1 0 331.712 2.005 20 5 EEBDRM CCC(CC)C(=O)N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000612523576 469485451 /nfs/dbraw/zinc/48/54/51/469485451.db2.gz AXUTZHNMXROKBI-UHFFFAOYSA-N -1 0 349.387 2.021 20 5 EEBDRM O=C(Nc1ccc(-c2nc[nH]n2)cc1F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000619252783 469558668 /nfs/dbraw/zinc/55/86/68/469558668.db2.gz LMKXSOPLPJOUQL-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184352424 528541750 /nfs/dbraw/zinc/54/17/50/528541750.db2.gz JWNSUJDEBGZIPL-LBPRGKRZSA-N -1 0 349.387 2.069 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SC[C@H](C)C(=O)[O-] ZINC000738069148 577998219 /nfs/dbraw/zinc/99/82/19/577998219.db2.gz YHVAZJYTLPFTLC-DTWKUNHWSA-N -1 0 342.373 2.384 20 5 EEBDRM CSc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000738198232 578003420 /nfs/dbraw/zinc/00/34/20/578003420.db2.gz AIQXMFNENXSBNZ-SNVBAGLBSA-N -1 0 339.373 2.189 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2ccccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000738252265 578006204 /nfs/dbraw/zinc/00/62/04/578006204.db2.gz YYTRGWFIZFEWFD-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM C[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000737713906 576594384 /nfs/dbraw/zinc/59/43/84/576594384.db2.gz NDUIHCIIDYALID-LURJTMIESA-N -1 0 337.206 2.166 20 5 EEBDRM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731458646 577102131 /nfs/dbraw/zinc/10/21/31/577102131.db2.gz MHQFCVKEJNYXPE-UHFFFAOYSA-N -1 0 348.315 2.198 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCCC(=O)[O-] ZINC000773227005 577324847 /nfs/dbraw/zinc/32/48/47/577324847.db2.gz NMIPNFXCTJNRBA-VIFPVBQESA-N -1 0 344.751 2.387 20 5 EEBDRM O=C(NCCN1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000776121025 577452519 /nfs/dbraw/zinc/45/25/19/577452519.db2.gz CUVUOJMUTWAOIG-UHFFFAOYSA-N -1 0 327.340 2.093 20 5 EEBDRM C[C@@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000753801699 577793985 /nfs/dbraw/zinc/79/39/85/577793985.db2.gz KYKASCSFQRTYIY-JRZFIGEHSA-N -1 0 342.348 2.285 20 5 EEBDRM C[C@@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000753811814 577794228 /nfs/dbraw/zinc/79/42/28/577794228.db2.gz WKDNPKLBWBWHHB-CBVZUMJXSA-N -1 0 330.387 2.208 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)CC2CCC2)c1 ZINC000755117464 577819904 /nfs/dbraw/zinc/81/99/04/577819904.db2.gz SQXHRWZJINURPD-UHFFFAOYSA-N -1 0 344.414 2.176 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000755127314 577820168 /nfs/dbraw/zinc/82/01/68/577820168.db2.gz SWYJXELUAOVEJQ-UHFFFAOYSA-N -1 0 340.401 2.119 20 5 EEBDRM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755657704 577828737 /nfs/dbraw/zinc/82/87/37/577828737.db2.gz SDIRUFOCRZHQAC-OASPWFOLSA-N -1 0 340.426 2.410 20 5 EEBDRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000755910657 577834114 /nfs/dbraw/zinc/83/41/14/577834114.db2.gz POECOLADTKYPND-SECBINFHSA-N -1 0 332.353 2.365 20 5 EEBDRM O=C([O-])CCCCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000746367831 577926649 /nfs/dbraw/zinc/92/66/49/577926649.db2.gz MTEYZLCKVXZSOO-UHFFFAOYSA-N -1 0 338.316 2.088 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000739337237 578048943 /nfs/dbraw/zinc/04/89/43/578048943.db2.gz PDMMCVIVGJPZQC-HNNXBMFYSA-N -1 0 349.270 2.482 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000740244816 578087234 /nfs/dbraw/zinc/08/72/34/578087234.db2.gz LGUCQVLWFCDPBG-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CCC(C)(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657110 578216879 /nfs/dbraw/zinc/21/68/79/578216879.db2.gz OMNPFFSEQMPJBY-NSHDSACASA-N -1 0 349.387 2.424 20 5 EEBDRM CC[C@H](C)[C@H](O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736880154 578228203 /nfs/dbraw/zinc/22/82/03/578228203.db2.gz MKRIHNMAUIJVPP-WRWORJQWSA-N -1 0 327.293 2.020 20 5 EEBDRM CCC[C@@](C)(NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000736958385 578231138 /nfs/dbraw/zinc/23/11/38/578231138.db2.gz AGVIHERPWGNPQE-OAHLLOKOSA-N -1 0 334.332 2.378 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000737097557 578237896 /nfs/dbraw/zinc/23/78/96/578237896.db2.gz SDYOHIHIEGNFCB-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM CS[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737179871 578242533 /nfs/dbraw/zinc/24/25/33/578242533.db2.gz NRGAOUWCVAILMB-WPRPVWTQSA-N -1 0 335.393 2.256 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000819365128 597103841 /nfs/dbraw/zinc/10/38/41/597103841.db2.gz STUSTNFYUWUAPX-JTQLQIEISA-N -1 0 331.328 2.403 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C(=O)[O-] ZINC000255190546 597308967 /nfs/dbraw/zinc/30/89/67/597308967.db2.gz XXMYOPWQZLWLRO-NSHDSACASA-N -1 0 343.339 2.410 20 5 EEBDRM O=C([O-])C1(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000013168175 597334120 /nfs/dbraw/zinc/33/41/20/597334120.db2.gz JFNGZMLHYAOZIX-UHFFFAOYSA-N -1 0 337.288 2.020 20 5 EEBDRM CNc1ccc(C(=O)Oc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000831047295 600960196 /nfs/dbraw/zinc/96/01/96/600960196.db2.gz VENTXHRYGHVMKR-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000833190829 601182741 /nfs/dbraw/zinc/18/27/41/601182741.db2.gz ZVYCEOMMDIYSMN-NWDGAFQWSA-N -1 0 337.328 2.408 20 5 EEBDRM CN(CCc1ccncc1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000830800729 601250071 /nfs/dbraw/zinc/25/00/71/601250071.db2.gz WKNJBWTZKUIDQT-UHFFFAOYSA-N -1 0 346.299 2.275 20 5 EEBDRM CC(C)(CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000826581022 601679998 /nfs/dbraw/zinc/67/99/98/601679998.db2.gz SILHDWKLORIAPO-UHFFFAOYSA-N -1 0 329.740 2.158 20 5 EEBDRM O=C([O-])c1cccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000833328191 601689804 /nfs/dbraw/zinc/68/98/04/601689804.db2.gz AFAOXPOXLDBNQO-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000827324150 602275246 /nfs/dbraw/zinc/27/52/46/602275246.db2.gz ABXUSUWWHOOHMJ-DTWKUNHWSA-N -1 0 349.299 2.360 20 5 EEBDRM CCc1[nH]c(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c(C)c1C(=O)[O-] ZINC000830197329 602397915 /nfs/dbraw/zinc/39/79/15/602397915.db2.gz SSJQYBYGQMZNJG-UHFFFAOYSA-N -1 0 332.316 2.448 20 5 EEBDRM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827586477 604361818 /nfs/dbraw/zinc/36/18/18/604361818.db2.gz NNENTFCYBINYPU-JTQLQIEISA-N -1 0 344.323 2.360 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000827011514 604392789 /nfs/dbraw/zinc/39/27/89/604392789.db2.gz PFIUGIZCRJTYKN-LBPRGKRZSA-N -1 0 344.751 2.198 20 5 EEBDRM CCNC(=O)C(C)(C)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000829786231 604798859 /nfs/dbraw/zinc/79/88/59/604798859.db2.gz JYCWRGLACQVSBA-SOFGYWHQSA-N -1 0 335.360 2.267 20 5 EEBDRM CC(C)(NC(=O)[O-])C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833460515 604908089 /nfs/dbraw/zinc/90/80/89/604908089.db2.gz ALMXENZBDBWONY-UHFFFAOYSA-N -1 0 349.299 2.339 20 5 EEBDRM CC(C)C[C@H](NC(=O)CNc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000833492622 605149046 /nfs/dbraw/zinc/14/90/46/605149046.db2.gz LBMSZDXWHFVGPH-LBPRGKRZSA-N -1 0 343.767 2.276 20 5 EEBDRM O=C([O-])c1cccc(COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000833783421 605465075 /nfs/dbraw/zinc/46/50/75/605465075.db2.gz DXXHLKDNMZCWOW-UHFFFAOYSA-N -1 0 345.263 2.379 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C2CC2)cc([N+](=O)[O-])c1C ZINC000176077711 676849590 /nfs/dbraw/zinc/84/95/90/676849590.db2.gz HZWIEPQXUVLYLK-STQMWFEESA-N -1 0 338.385 2.063 20 5 EEBDRM CCCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C(=O)[O-] ZINC000261856219 681788730 /nfs/dbraw/zinc/78/87/30/681788730.db2.gz JYXPNEJETOENHG-LBPRGKRZSA-N -1 0 344.389 2.133 20 5 EEBDRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc([N+](=O)[O-])s1 ZINC000262352976 685588168 /nfs/dbraw/zinc/58/81/68/685588168.db2.gz BRCIWOGVUCFSTD-SNVBAGLBSA-N -1 0 344.389 2.246 20 5 EEBDRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](Nc3cc(C)ccc3[N+](=O)[O-])C2)c1[O-] ZINC001059604147 687345881 /nfs/dbraw/zinc/34/58/81/687345881.db2.gz UYNSWCZBBYEJIY-PHIMTYICSA-N -1 0 345.359 2.013 20 5 EEBDRM CCCn1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cn1 ZINC000794866544 1198366173 /nfs/dbraw/zinc/36/61/73/1198366173.db2.gz PZUDCTRMKLJVQH-UHFFFAOYSA-N -1 0 340.361 2.011 20 5 EEBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C(F)(F)F ZINC000867692115 1201660367 /nfs/dbraw/zinc/66/03/67/1201660367.db2.gz BRZCWTUYTWMPDH-RNFRBKRXSA-N -1 0 344.698 2.477 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c2c(c1=O)CC1(CC2)OCCO1 ZINC000887287239 1204255061 /nfs/dbraw/zinc/25/50/61/1204255061.db2.gz RGFZLBPWRUJKIH-GFCCVEGCSA-N -1 0 331.328 2.149 20 5 EEBDRM O=C(NCCc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC000779671311 1210742531 /nfs/dbraw/zinc/74/25/31/1210742531.db2.gz SRXNMJYGAHVXGV-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM COc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000803095714 1239286034 /nfs/dbraw/zinc/28/60/34/1239286034.db2.gz SSARBABGGOMOKV-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM CN(Cc1n[n-]c(=O)o1)Cc1cccc([N+](=O)[O-])c1Br ZINC000852186168 1292031591 /nfs/dbraw/zinc/03/15/91/1292031591.db2.gz CKAWGWFNYYBTNU-UHFFFAOYSA-N -1 0 343.137 2.078 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000115924243 1294039169 /nfs/dbraw/zinc/03/91/69/1294039169.db2.gz KXBJGVVYNZREQN-UHFFFAOYSA-N -1 0 334.353 2.330 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CCF)c2)c1F ZINC000863422466 1296274187 /nfs/dbraw/zinc/27/41/87/1296274187.db2.gz ZQMHZFIEVBOPHQ-UHFFFAOYSA-N -1 0 346.315 2.009 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H](C)C2CCCC2)c1[N+](=O)[O-] ZINC001226016593 1301233595 /nfs/dbraw/zinc/23/35/95/1301233595.db2.gz AEUHDUKLRFFZGJ-MRVPVSSYSA-N -1 0 325.321 2.225 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC001226021001 1301235774 /nfs/dbraw/zinc/23/57/74/1301235774.db2.gz NNOBPPRCCQWCET-GDGBQDQQSA-N -1 0 339.348 2.471 20 5 EEBDRM CC[C@H]1CC[C@H](Oc2nc(=O)[n-]c(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC001226650071 1301493796 /nfs/dbraw/zinc/49/37/96/1301493796.db2.gz OROAIZHTXOOPTF-KYZUINATSA-N -1 0 325.321 2.225 20 5 EEBDRM O=C1C[C@H](Oc2cc([N+](=O)[O-])ccc2O)C(=O)N1Cc1ccccc1 ZINC001229396039 1302761422 /nfs/dbraw/zinc/76/14/22/1302761422.db2.gz PNARUHVRTCXFEZ-HNNXBMFYSA-N -1 0 342.307 2.007 20 5 EEBDRM O=[N+]([O-])c1c[n+]([O-])ccc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001229451078 1302787257 /nfs/dbraw/zinc/78/72/57/1302787257.db2.gz BMWBZXZHTBRKNY-OAHLLOKOSA-N -1 0 330.252 2.417 20 5 EEBDRM CC1(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CC1 ZINC001117760606 1306163476 /nfs/dbraw/zinc/16/34/76/1306163476.db2.gz DSVJDVLSLBLYML-UHFFFAOYSA-N -1 0 336.735 2.422 20 5 EEBDRM COc1ncccc1-c1noc(C([O-])=Cc2ccccc2[N+](=O)[O-])n1 ZINC001248979264 1310979320 /nfs/dbraw/zinc/97/93/20/1310979320.db2.gz YRPOCVSEZHJBRD-UHFFFAOYSA-N -1 0 340.295 2.474 20 5 EEBDRM O=C([N-]S(=O)(=O)[C@H]1CC2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000835559784 1314928202 /nfs/dbraw/zinc/92/82/02/1314928202.db2.gz POWILGQAMSYNHD-MGULZYLOSA-N -1 0 338.385 2.233 20 5 EEBDRM O=C(CN1CCCCCCC1=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837442314 1315082212 /nfs/dbraw/zinc/08/22/12/1315082212.db2.gz MLULEZUALJDXPE-UHFFFAOYSA-N -1 0 336.344 2.136 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000842403330 1315697782 /nfs/dbraw/zinc/69/77/82/1315697782.db2.gz BAXMGRFXUITSRL-CMPLNLGQSA-N -1 0 340.401 2.285 20 5 EEBDRM C/C(=C\C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000842404958 1315698609 /nfs/dbraw/zinc/69/86/09/1315698609.db2.gz CXTUELDFUVMVDC-CSKARUKUSA-N -1 0 338.385 2.206 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)n1 ZINC001607709552 1351543863 /nfs/dbraw/zinc/54/38/63/1351543863.db2.gz IDAZONVYXDGYBA-UHFFFAOYSA-N -1 0 336.691 2.297 20 5 EEBDRM C[C@@H]1CC(C)(C)C[C@](C)([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC001309823496 1331643635 /nfs/dbraw/zinc/64/36/35/1331643635.db2.gz AVBKMSUCOGRDQR-QMTHXVAHSA-N -1 0 344.437 2.212 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC001608632954 1351730066 /nfs/dbraw/zinc/73/00/66/1351730066.db2.gz HQLCWJGNVGXWFW-LOWVWBTDSA-N -1 0 336.319 2.449 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001608648612 1351733233 /nfs/dbraw/zinc/73/32/33/1351733233.db2.gz FYEPXXIVGKGXJG-MRVPVSSYSA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](F)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001608813380 1351769323 /nfs/dbraw/zinc/76/93/23/1351769323.db2.gz MVZNCCYSVYPWEC-ONGXEEELSA-N -1 0 347.140 2.354 20 5 EEBDRM O=C([O-])c1coc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001608988047 1351808732 /nfs/dbraw/zinc/80/87/32/1351808732.db2.gz OAWDZQHPCIPWFW-ZDUSSCGKSA-N -1 0 346.295 2.322 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](F)c1ccccc1 ZINC001320591891 1332917086 /nfs/dbraw/zinc/91/70/86/1332917086.db2.gz LNKWCPBCAXQDEM-CYBMUJFWSA-N -1 0 338.316 2.111 20 5 EEBDRM O=C([O-])c1nc(N2CCCCC2)nc(N2CCCCC2)c1[N+](=O)[O-] ZINC001608997283 1351810953 /nfs/dbraw/zinc/81/09/53/1351810953.db2.gz VATYFRRVSPTGLQ-UHFFFAOYSA-N -1 0 335.364 2.064 20 5 EEBDRM CC(C)(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001609647815 1352049679 /nfs/dbraw/zinc/04/96/79/1352049679.db2.gz VELFHWQWGXAKSV-SECBINFHSA-N -1 0 348.277 2.394 20 5 EEBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001609651629 1352050470 /nfs/dbraw/zinc/05/04/70/1352050470.db2.gz HVJVWWQBAWAPKJ-UHFFFAOYSA-N -1 0 345.311 2.310 20 5 EEBDRM C[C@@H]1CC[C@@H](CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])O1 ZINC001609847949 1352100501 /nfs/dbraw/zinc/10/05/01/1352100501.db2.gz OYVPVLRVWJICQL-APPZFPTMSA-N -1 0 325.277 2.181 20 5 EEBDRM C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC001609859451 1352104410 /nfs/dbraw/zinc/10/44/10/1352104410.db2.gz DPJNQEQAHMMQJV-HPEDKQMDSA-N -1 0 332.356 2.410 20 5 EEBDRM C[C@@H]1CN(c2nnc(-c3cccc([O-])c3[N+](=O)[O-])n2C)C[C@@H](C)S1 ZINC001341594091 1337295019 /nfs/dbraw/zinc/29/50/19/1337295019.db2.gz SMDSFALAUCUORR-NXEZZACHSA-N -1 0 349.416 2.426 20 5 EEBDRM CNC(=O)[C@H]1CCC[C@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001610142958 1352172413 /nfs/dbraw/zinc/17/24/13/1352172413.db2.gz QGVPMCXLJVEUAS-GZMMTYOYSA-N -1 0 341.751 2.273 20 5 EEBDRM CO[C@@H]1CCC[C@H]([C@@H]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])C(=O)[O-])C1 ZINC001610234417 1352191799 /nfs/dbraw/zinc/19/17/99/1352191799.db2.gz JUQQBBUCWSLZPH-PSOPSSQASA-N -1 0 338.360 2.048 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC001610348394 1352209109 /nfs/dbraw/zinc/20/91/09/1352209109.db2.gz ZQWNIOLYBWPNGZ-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM CCn1cc(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)cn1 ZINC000848584260 1338724677 /nfs/dbraw/zinc/72/46/77/1338724677.db2.gz SBPCMCBEVPKEDV-UHFFFAOYSA-N -1 0 340.286 2.099 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H](CC(C)C)C(=O)[O-] ZINC001610515138 1352236596 /nfs/dbraw/zinc/23/65/96/1352236596.db2.gz RDLQXLMQCZORGT-AWEZNQCLSA-N -1 0 337.376 2.273 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCCC[C@H]2CCO)cc([N+](=O)[O-])c1 ZINC001610808557 1352278359 /nfs/dbraw/zinc/27/83/59/1352278359.db2.gz BHIKXJKHIQENQQ-ZDUSSCGKSA-N -1 0 336.344 2.060 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H]1CCCOC1 ZINC001610817083 1352279660 /nfs/dbraw/zinc/27/96/60/1352279660.db2.gz BDHTWONBCJIMER-QMMMGPOBSA-N -1 0 325.277 2.040 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC001610836185 1352282880 /nfs/dbraw/zinc/28/28/80/1352282880.db2.gz DHXPTECBYPKLAZ-JTQLQIEISA-N -1 0 329.355 2.047 20 5 EEBDRM CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)[O-] ZINC001593620759 1349870951 /nfs/dbraw/zinc/87/09/51/1349870951.db2.gz DLPIPTALLUQOSY-JTQLQIEISA-N -1 0 345.149 2.259 20 5 EEBDRM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1Cc1ccc([N+](=O)[O-])cc1F ZINC001594339891 1349875335 /nfs/dbraw/zinc/87/53/35/1349875335.db2.gz LIDOSGMASIGMEY-FHOOGIDHSA-N -1 0 338.335 2.329 20 5 EEBDRM Cc1c(CC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cccc1[N+](=O)[O-] ZINC001600009993 1349954643 /nfs/dbraw/zinc/95/46/43/1349954643.db2.gz UTKGILKCINEIMV-PBHICJAKSA-N -1 0 332.356 2.302 20 5 EEBDRM Cc1c(NC(=O)NC[C@@H]2CCC=CO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043316 1349961021 /nfs/dbraw/zinc/96/10/21/1349961021.db2.gz PEERDOYRNNXULJ-NSHDSACASA-N -1 0 335.316 2.416 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001600164089 1349983310 /nfs/dbraw/zinc/98/33/10/1349983310.db2.gz DHHUJTQLDPFKKC-UHFFFAOYSA-N -1 0 344.327 2.305 20 5 EEBDRM Cc1cc(Cl)c(C(=O)Nc2ccc(C(=O)[O-])nn2)cc1[N+](=O)[O-] ZINC001600216986 1349995340 /nfs/dbraw/zinc/99/53/40/1349995340.db2.gz PHGFUOSKKONMKF-UHFFFAOYSA-N -1 0 336.691 2.297 20 5 EEBDRM Cc1cc(OCC(=O)N2CCCCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600287514 1350011683 /nfs/dbraw/zinc/01/16/83/1350011683.db2.gz FGUMBBRAUXRCHD-AWEZNQCLSA-N -1 0 336.344 2.138 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001600307034 1350016250 /nfs/dbraw/zinc/01/62/50/1350016250.db2.gz KMYVFYHTWJZBBY-UHFFFAOYSA-N -1 0 343.339 2.483 20 5 EEBDRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001600335210 1350023208 /nfs/dbraw/zinc/02/32/08/1350023208.db2.gz AFFZBKGECOXMLI-AWEZNQCLSA-N -1 0 330.296 2.165 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001600417575 1350046100 /nfs/dbraw/zinc/04/61/00/1350046100.db2.gz ZGMWTPODBXIZPG-UHFFFAOYSA-N -1 0 331.328 2.476 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)n1 ZINC001600969768 1350179212 /nfs/dbraw/zinc/17/92/12/1350179212.db2.gz RLOMJRBVCLCRPT-UHFFFAOYSA-N -1 0 344.327 2.226 20 5 EEBDRM Nc1nccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001601222136 1350235574 /nfs/dbraw/zinc/23/55/74/1350235574.db2.gz YPZCNEYPHBLEKD-NWDGAFQWSA-N -1 0 342.311 2.012 20 5 EEBDRM O=C(COc1ccccc1)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001601344728 1350262399 /nfs/dbraw/zinc/26/23/99/1350262399.db2.gz UOZZWEJIVKIWBS-UHFFFAOYSA-N -1 0 331.280 2.320 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC001601393632 1350272607 /nfs/dbraw/zinc/27/26/07/1350272607.db2.gz YJXXDDNCUASSKG-SNVBAGLBSA-N -1 0 332.234 2.207 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001601571264 1350309656 /nfs/dbraw/zinc/30/96/56/1350309656.db2.gz HGCQYWSUGLVPSJ-ZJUUUORDSA-N -1 0 332.234 2.207 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC001601847003 1350379686 /nfs/dbraw/zinc/37/96/86/1350379686.db2.gz HWWYOSUCXDIELU-CQSZACIVSA-N -1 0 346.270 2.226 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC001602134450 1350447236 /nfs/dbraw/zinc/44/72/36/1350447236.db2.gz ZHPMCPWOTFGAML-UHFFFAOYSA-N -1 0 326.308 2.425 20 5 EEBDRM O=C([O-])Cc1ccc(NCc2ccc3[nH]c(=O)[nH]c3c2)c([N+](=O)[O-])c1 ZINC001602136007 1350447739 /nfs/dbraw/zinc/44/77/39/1350447739.db2.gz DQYIVHHVVHGTSO-UHFFFAOYSA-N -1 0 342.311 2.416 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001602174064 1350457873 /nfs/dbraw/zinc/45/78/73/1350457873.db2.gz VAHARCMRJNPPFO-ZDUSSCGKSA-N -1 0 341.323 2.346 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC(=O)N(C2CC2)C1 ZINC001602298553 1350487844 /nfs/dbraw/zinc/48/78/44/1350487844.db2.gz MBEBJTZHABZLJF-ZETCQYMHSA-N -1 0 339.735 2.122 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2nc(Cl)ccc2Cl)c1=O ZINC001602301343 1350488695 /nfs/dbraw/zinc/48/86/95/1350488695.db2.gz IVGIBBAURSHTTC-UHFFFAOYSA-N -1 0 344.110 2.205 20 5 EEBDRM O=C([O-])c1ccc(/C=C\C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001602330888 1350496034 /nfs/dbraw/zinc/49/60/34/1350496034.db2.gz QPVVYCIZUBQIAS-XQRVVYSFSA-N -1 0 328.280 2.442 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001602391771 1350509544 /nfs/dbraw/zinc/50/95/44/1350509544.db2.gz MWLIYOLKYRUAIL-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(C(=O)C3CC3)CC2)c1 ZINC001602404831 1350511921 /nfs/dbraw/zinc/51/19/21/1350511921.db2.gz BGODKCKIUVLQCS-UHFFFAOYSA-N -1 0 333.344 2.106 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)c2ccc3c(c2)OCO3)c1 ZINC001602408988 1350512960 /nfs/dbraw/zinc/51/29/60/1350512960.db2.gz ZRVITIBXDPYAGZ-UHFFFAOYSA-N -1 0 345.263 2.283 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2ncn(-c3ccccc3)n2)c1 ZINC001602407374 1350512977 /nfs/dbraw/zinc/51/29/77/1350512977.db2.gz FGPLDTHYFZZMLJ-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1ccnc(SC2CCC3(CC2)OCCO3)c1[N+](=O)[O-] ZINC001602486785 1350530269 /nfs/dbraw/zinc/53/02/69/1350530269.db2.gz RJWBLQKONIRTBB-UHFFFAOYSA-N -1 0 340.357 2.466 20 5 EEBDRM CC(C)C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC001603270974 1350676096 /nfs/dbraw/zinc/67/60/96/1350676096.db2.gz TZCHCFYNGBGMRN-SNVBAGLBSA-N -1 0 331.380 2.230 20 5 EEBDRM CC(C)CC[C@](C)(O)CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001603278479 1350678507 /nfs/dbraw/zinc/67/85/07/1350678507.db2.gz PITJFJGJQIYJOD-HNNXBMFYSA-N -1 0 334.380 2.374 20 5 EEBDRM CC(C)(C)n1ccc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001603568271 1350721503 /nfs/dbraw/zinc/72/15/03/1350721503.db2.gz RCZBIGYIFCZABK-UHFFFAOYSA-N -1 0 333.300 2.464 20 5 EEBDRM CC(C)(CCC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC001603598443 1350726913 /nfs/dbraw/zinc/72/69/13/1350726913.db2.gz HSOPTYVPUNNHKD-UHFFFAOYSA-N -1 0 326.261 2.034 20 5 EEBDRM CC(C)COC(=O)N(C)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001603821449 1350775625 /nfs/dbraw/zinc/77/56/25/1350775625.db2.gz JWVGIUTYEIOTQW-UHFFFAOYSA-N -1 0 326.305 2.354 20 5 EEBDRM C[C@@H](CC(=O)[O-])C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC001604094769 1350855066 /nfs/dbraw/zinc/85/50/66/1350855066.db2.gz BOLXBVSKFRREMO-LURJTMIESA-N -1 0 331.122 2.407 20 5 EEBDRM C[C@H](CC(C)(C)C)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001604123259 1350865647 /nfs/dbraw/zinc/86/56/47/1350865647.db2.gz FPRKBWHKPZHEQL-SECBINFHSA-N -1 0 344.389 2.396 20 5 EEBDRM CCC[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C(=O)OCC ZINC001604143389 1350872443 /nfs/dbraw/zinc/87/24/43/1350872443.db2.gz FOPODMWBVRCMJV-SNVBAGLBSA-N -1 0 348.363 2.166 20 5 EEBDRM C[C@](NCc1nnc(C2CC2)s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604349985 1350921858 /nfs/dbraw/zinc/92/18/58/1350921858.db2.gz SLMNQCGZGBWWIM-OAHLLOKOSA-N -1 0 348.384 2.413 20 5 EEBDRM C[C@@H](OCc1ccncc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001604425033 1350935458 /nfs/dbraw/zinc/93/54/58/1350935458.db2.gz AGMLTGPCORXYBB-SNVBAGLBSA-N -1 0 345.311 2.232 20 5 EEBDRM C[C@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC[S@@]1=O ZINC001604758033 1350998044 /nfs/dbraw/zinc/99/80/44/1350998044.db2.gz RZGWKKZWSVEIOE-ZCAPAMDOSA-N -1 0 346.792 2.294 20 5 EEBDRM CCCOc1cccc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c1 ZINC001605343514 1351141384 /nfs/dbraw/zinc/14/13/84/1351141384.db2.gz XCFAPQIPEOOBRD-UHFFFAOYSA-N -1 0 332.312 2.292 20 5 EEBDRM CCO[C@H]1C[C@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001605653714 1351210830 /nfs/dbraw/zinc/21/08/30/1351210830.db2.gz HIOCCEYCPFQELZ-XWEPSHTISA-N -1 0 325.277 2.181 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C(=O)[O-])cc2F)n1 ZINC001606606089 1351331215 /nfs/dbraw/zinc/33/12/15/1351331215.db2.gz UTUKFGJSALBHSR-UHFFFAOYSA-N -1 0 349.274 2.226 20 5 EEBDRM CO[C@@H]1CN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)[C@](C)(C(=O)[O-])C1 ZINC001606761116 1351352984 /nfs/dbraw/zinc/35/29/84/1351352984.db2.gz QOTPIBHKEPACHA-DCMZOXEDSA-N -1 0 348.355 2.089 20 5 EEBDRM COC[C@@]1(C)CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001606836801 1351364708 /nfs/dbraw/zinc/36/47/08/1351364708.db2.gz HSHSODLDWHYVEU-AWEZNQCLSA-N -1 0 339.304 2.064 20 5 EEBDRM COc1cc(C(=O)NCc2ccoc2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001607079354 1351408261 /nfs/dbraw/zinc/40/82/61/1351408261.db2.gz FDBGXLVPMLWJPS-UHFFFAOYSA-N -1 0 334.284 2.133 20 5 EEBDRM O=[N+]([O-])c1ccccc1CNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001607084821 1351412086 /nfs/dbraw/zinc/41/20/86/1351412086.db2.gz AEPMTPYIVOPNGE-UHFFFAOYSA-N -1 0 337.752 2.497 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1OC(=O)COc1ccccc1[N+](=O)[O-] ZINC001607139798 1351437047 /nfs/dbraw/zinc/43/70/47/1351437047.db2.gz AGOJKPPQACQYSU-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM COc1cccc([C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)[O-])c1 ZINC001607316449 1351472186 /nfs/dbraw/zinc/47/21/86/1351472186.db2.gz UIRNOYBHXLLKBJ-CYBMUJFWSA-N -1 0 325.317 2.200 20 5 EEBDRM CSCC[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001607398213 1351487537 /nfs/dbraw/zinc/48/75/37/1351487537.db2.gz DHHNMAFBQVDINS-XQQFMLRXSA-N -1 0 339.369 2.448 20 5 EEBDRM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1CC(=O)[O-] ZINC001607429957 1351493174 /nfs/dbraw/zinc/49/31/74/1351493174.db2.gz CJBBQLPOUGDHAL-LTZCYQRMSA-N -1 0 332.356 2.268 20 5 EEBDRM Cc1cc(N2CC[C@@H](C(=O)N3CCCC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607685661 1351539653 /nfs/dbraw/zinc/53/96/53/1351539653.db2.gz ZQWDQEQGCKNTPC-GFCCVEGCSA-N -1 0 347.371 2.050 20 5 EEBDRM Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)nc(C)c1C(=O)[O-] ZINC001607691374 1351540527 /nfs/dbraw/zinc/54/05/27/1351540527.db2.gz HYIDIQULGVOVGS-UHFFFAOYSA-N -1 0 330.300 2.261 20 5 EEBDRM Cn1cc([C@@]2(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CCCO2)cn1 ZINC001608107020 1351626752 /nfs/dbraw/zinc/62/67/52/1351626752.db2.gz JKXPVNHKIFZRBN-INIZCTEOSA-N -1 0 346.343 2.144 20 5 EEBDRM O=C([O-])C1(NC(=O)Cn2ccc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC001608379508 1351682467 /nfs/dbraw/zinc/68/24/67/1351682467.db2.gz QOCYPQHZFLXMFY-UHFFFAOYSA-N -1 0 345.355 2.453 20 5 EEBDRM CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001116727542 1371732980 /nfs/dbraw/zinc/73/29/80/1371732980.db2.gz XCTFRJDRAHPIFG-UHFFFAOYSA-N -1 0 343.405 2.035 20 5 EEBDRM CC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000835154711 1372596991 /nfs/dbraw/zinc/59/69/91/1372596991.db2.gz HYXCNJKJUQSHBT-WPRPVWTQSA-N -1 0 332.403 2.288 20 5 EEBDRM CN(C)c1nc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cs1 ZINC001606078517 1404763230 /nfs/dbraw/zinc/76/32/30/1404763230.db2.gz DLJFSHZQQIRPKX-UHFFFAOYSA-N -1 0 336.373 2.357 20 5 EEBDRM CC(C)n1cccc1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000179601298 1405813953 /nfs/dbraw/zinc/81/39/53/1405813953.db2.gz QWNUWRCNESQANI-UHFFFAOYSA-N -1 0 337.357 2.096 20 5 EEBDRM CC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000835027592 760016200 /nfs/dbraw/zinc/01/62/00/760016200.db2.gz FHYCCZBSZRFADB-VURMDHGXSA-N -1 0 332.765 2.409 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C(F)=C1CCCC1 ZINC000815946935 783570442 /nfs/dbraw/zinc/57/04/42/783570442.db2.gz JZPOKMVPWBVFQX-UHFFFAOYSA-N -1 0 334.350 2.259 20 5 EEBDRM CCc1ccc([C@H](O)CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000804149962 785434898 /nfs/dbraw/zinc/43/48/98/785434898.db2.gz CBWKQLNCRFMTCP-MRXNPFEDSA-N -1 0 330.340 2.326 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000112493100 786063847 /nfs/dbraw/zinc/06/38/47/786063847.db2.gz LPMOCZCDEBRKHH-PMDBQALLSA-N -1 0 340.401 2.490 20 5 EEBDRM CC(C)n1cnc(S(=O)(=O)[N-]c2cccc(F)c2[N+](=O)[O-])c1 ZINC000585129319 786629309 /nfs/dbraw/zinc/62/93/09/786629309.db2.gz FRGMVDASWVVFLS-UHFFFAOYSA-N -1 0 328.325 2.312 20 5 EEBDRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151441048 788965909 /nfs/dbraw/zinc/96/59/09/788965909.db2.gz DINZNXGDFNIIKW-LLVKDONJSA-N -1 0 328.390 2.020 20 5 EEBDRM O=C(Nc1cc(-c2nc[nH]n2)ccc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000791282101 809171234 /nfs/dbraw/zinc/17/12/34/809171234.db2.gz YOIBNKQWESZZDL-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000809065966 812953763 /nfs/dbraw/zinc/95/37/63/812953763.db2.gz WJCIBKOAARCBHG-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000514808903 939238656 /nfs/dbraw/zinc/23/86/56/939238656.db2.gz PDRWHPXRDMUSFA-OAHLLOKOSA-N -1 0 343.339 2.262 20 5 EEBDRM Cc1c(C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000531999293 939260470 /nfs/dbraw/zinc/26/04/70/939260470.db2.gz YYUZUHXALMVROT-UHFFFAOYSA-N -1 0 340.335 2.255 20 5 EEBDRM O=C([O-])[C@@]1(NC(=O)c2ccc([N+](=O)[O-])s2)CCc2ccccc21 ZINC000610846280 939808098 /nfs/dbraw/zinc/80/80/98/939808098.db2.gz YXHTWDTXHLPCGP-OAHLLOKOSA-N -1 0 332.337 2.312 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001595233804 949378722 /nfs/dbraw/zinc/37/87/22/949378722.db2.gz RMSCRHJRGIIDMN-AWEZNQCLSA-N -1 0 331.280 2.070 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001589268168 953383214 /nfs/dbraw/zinc/38/32/14/953383214.db2.gz CZSCFZJBTZLTHE-ZYHUDNBSSA-N -1 0 338.335 2.236 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001589310681 953791559 /nfs/dbraw/zinc/79/15/59/953791559.db2.gz WGTYVZXZANUGHN-RQJHMYQMSA-N -1 0 336.270 2.037 20 5 EEBDRM C[C@@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001589344150 954037966 /nfs/dbraw/zinc/03/79/66/954037966.db2.gz MIPQEZJWQYIBLE-PSASIEDQSA-N -1 0 325.296 2.308 20 5 EEBDRM C[C@H](CC(=O)[O-])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001589000906 955322034 /nfs/dbraw/zinc/32/20/34/955322034.db2.gz GVXSPYARFKORIR-SSDOTTSWSA-N -1 0 349.265 2.276 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC001593976046 956665405 /nfs/dbraw/zinc/66/54/05/956665405.db2.gz UHAQYXSWAHGWIN-CQSZACIVSA-N -1 0 346.286 2.124 20 5 EEBDRM O=C([O-])[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001327627530 957346025 /nfs/dbraw/zinc/34/60/25/957346025.db2.gz MLFHUYSEHYJQQE-OAHLLOKOSA-N -1 0 332.356 2.371 20 5 EEBDRM O=C([O-])[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001327627524 957346121 /nfs/dbraw/zinc/34/61/21/957346121.db2.gz MLFHUYSEHYJQQE-HNNXBMFYSA-N -1 0 332.356 2.371 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001574769178 957748829 /nfs/dbraw/zinc/74/88/29/957748829.db2.gz JTZFDLGLZYBFPD-HTQZYQBOSA-N -1 0 330.699 2.114 20 5 EEBDRM Cc1ccc(CNC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001594361072 958449961 /nfs/dbraw/zinc/44/99/61/958449961.db2.gz GGUGBJYSXDHMHP-GXFFZTMASA-N -1 0 335.360 2.155 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594112429 958527277 /nfs/dbraw/zinc/52/72/77/958527277.db2.gz QWCJGOVFGTXFGA-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162330279 959209823 /nfs/dbraw/zinc/20/98/23/959209823.db2.gz ATJSJDOWXRPFAM-JTQLQIEISA-N -1 0 329.150 2.406 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001573784505 960728473 /nfs/dbraw/zinc/72/84/73/960728473.db2.gz CROHXQPIJIHGJT-UHFFFAOYSA-N -1 0 326.261 2.299 20 5 EEBDRM Cc1ccc(CNC(=O)Nc2cccnc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001574367477 961049683 /nfs/dbraw/zinc/04/96/83/961049683.db2.gz IKRDLVTXXYFNJV-UHFFFAOYSA-N -1 0 330.300 2.318 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C(=O)[O-] ZINC001588829529 961686314 /nfs/dbraw/zinc/68/63/14/961686314.db2.gz HQVSSRGTRRDSNW-ZETCQYMHSA-N -1 0 347.730 2.056 20 5 EEBDRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001574591919 962128777 /nfs/dbraw/zinc/12/87/77/962128777.db2.gz RAZQPLOSYAOXTN-IAQIWYKVSA-N -1 0 333.127 2.495 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001574142614 962591819 /nfs/dbraw/zinc/59/18/19/962591819.db2.gz YSBHBUNIWPYCOE-INIZCTEOSA-N -1 0 331.328 2.071 20 5 EEBDRM C[C@@H](OC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001604998721 972594072 /nfs/dbraw/zinc/59/40/72/972594072.db2.gz WEBUNNYZTZVERH-IJLUTSLNSA-N -1 0 337.328 2.469 20 5 EEBDRM C[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001605041889 972655205 /nfs/dbraw/zinc/65/52/05/972655205.db2.gz JSNRWNPRZUNUPG-SUHUHFCYSA-N -1 0 336.344 2.042 20 5 EEBDRM COC(=O)c1cc(NC(=O)C2(C(=O)[O-])CC=CC2)c(C)c([N+](=O)[O-])c1 ZINC001604375165 973088548 /nfs/dbraw/zinc/08/85/48/973088548.db2.gz PGSPNNYSKHDZRJ-UHFFFAOYSA-N -1 0 348.311 2.049 20 5 EEBDRM Nc1c(NC(=O)NC2(C(=O)[O-])CCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC001605654852 974039277 /nfs/dbraw/zinc/03/92/77/974039277.db2.gz UUOLCOAJSXQYDM-UHFFFAOYSA-N -1 0 342.739 2.349 20 5 EEBDRM C[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC001592693785 979145261 /nfs/dbraw/zinc/14/52/61/979145261.db2.gz CCQGSCPZGSSDEN-BYPYZUCNSA-N -1 0 339.106 2.491 20 5 EEBDRM CC(C)(CCC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1)[N+](=O)[O-] ZINC001593015838 980264413 /nfs/dbraw/zinc/26/44/13/980264413.db2.gz VGZUSBQTBBONPN-OAHLLOKOSA-N -1 0 326.324 2.077 20 5 EEBDRM C[C@@H](C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001589429578 986710171 /nfs/dbraw/zinc/71/01/71/986710171.db2.gz MZKSDJORRMYVFB-DJOIZQNCSA-N -1 0 332.356 2.314 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1CNc1cnn(CC(=O)[O-])c1C ZINC001597142733 986891533 /nfs/dbraw/zinc/89/15/33/986891533.db2.gz ILMCNTTWMZXSDX-UHFFFAOYSA-N -1 0 334.332 2.195 20 5 EEBDRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001597464644 987898751 /nfs/dbraw/zinc/89/87/51/987898751.db2.gz NXGBIGWKWRKBNT-UHFFFAOYSA-N -1 0 331.284 2.208 20 5 EEBDRM CSCC[C@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001599796718 988109822 /nfs/dbraw/zinc/10/98/22/988109822.db2.gz UUFAPJUUWQDEFW-KMSCOEIWSA-N -1 0 325.342 2.358 20 5 EEBDRM C[C@@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001599840257 988815010 /nfs/dbraw/zinc/81/50/10/988815010.db2.gz IYZFLRPVTMUWAY-DVIHMLIVSA-N -1 0 333.344 2.208 20 5 EEBDRM CC(C)(C)n1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001590599568 990252786 /nfs/dbraw/zinc/25/27/86/990252786.db2.gz CBAYZLGOFPWAIH-UHFFFAOYSA-N -1 0 332.316 2.497 20 5 EEBDRM CN(C)C(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598151219 990629639 /nfs/dbraw/zinc/62/96/39/990629639.db2.gz BYGXLZSWIXRAEL-JTQLQIEISA-N -1 0 341.751 2.003 20 5 EEBDRM CC(C)(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001590854785 990736215 /nfs/dbraw/zinc/73/62/15/990736215.db2.gz IBFVQQJUWFCRPO-PWSUYJOCSA-N -1 0 335.360 2.382 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598502351 992450652 /nfs/dbraw/zinc/45/06/52/992450652.db2.gz USIHKXNGYWNINO-UHFFFAOYSA-N -1 0 346.299 2.275 20 5 EEBDRM COc1ccc(NC(=O)c2c(C)coc2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599593808 993723468 /nfs/dbraw/zinc/72/34/68/993723468.db2.gz LXIMBESFDCVNNJ-UHFFFAOYSA-N -1 0 334.284 2.384 20 5 EEBDRM COc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC001599596154 993751221 /nfs/dbraw/zinc/75/12/21/993751221.db2.gz ZZBYMKWWFVKRQM-UHFFFAOYSA-N -1 0 337.332 2.368 20 5 EEBDRM C[C@](NC(=O)c1ccccc1O)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593178895 994059412 /nfs/dbraw/zinc/05/94/12/994059412.db2.gz IFDGSKIZLAEHEJ-MRXNPFEDSA-N -1 0 330.296 2.030 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(C(=O)[O-])cn1 ZINC001599622176 994099504 /nfs/dbraw/zinc/09/95/04/994099504.db2.gz BARSUZQXCAOEQR-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001598680404 994918322 /nfs/dbraw/zinc/91/83/22/994918322.db2.gz HCIDAVFRXSTMSG-UHFFFAOYSA-N -1 0 335.360 2.401 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CCF)C(=O)[O-] ZINC001593666897 996053932 /nfs/dbraw/zinc/05/39/32/996053932.db2.gz DIYNGXNMUAAWSW-GZMMTYOYSA-N -1 0 330.337 2.004 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC001593779254 996488928 /nfs/dbraw/zinc/48/89/28/996488928.db2.gz WXIAJYLKILEQAK-INIZCTEOSA-N -1 0 333.344 2.171 20 5 EEBDRM C[C@]1(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCCC[C@H]1C(=O)[O-] ZINC001594056162 997795959 /nfs/dbraw/zinc/79/59/59/997795959.db2.gz NVXCORKFKVGTEF-VFZGTOFNSA-N -1 0 339.323 2.079 20 5 EEBDRM CC1=C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594109940 998200034 /nfs/dbraw/zinc/20/00/34/998200034.db2.gz NTQIDTIJFZGSFH-ZYHUDNBSSA-N -1 0 347.371 2.200 20 5 EEBDRM O=C(Nc1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184685837 304020417 /nfs/dbraw/zinc/02/04/17/304020417.db2.gz KUFIIQDJUNETRU-UHFFFAOYSA-N -1 0 334.235 2.423 20 5 EEBDRM C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC000342942520 299248152 /nfs/dbraw/zinc/24/81/52/299248152.db2.gz CAWDOJIWSASNSI-VIFPVBQESA-N -1 0 344.327 2.282 20 5 EEBDRM CCc1ccc(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000262221151 244871152 /nfs/dbraw/zinc/87/11/52/244871152.db2.gz KIUTXZDWXIRCRN-SUMWQHHRSA-N -1 0 332.356 2.484 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N(C)CCCC(=O)[O-])cc1SC ZINC000262632596 245080545 /nfs/dbraw/zinc/08/05/45/245080545.db2.gz ORJAPBFAJYHLQM-UHFFFAOYSA-N -1 0 342.373 2.262 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262731185 245148872 /nfs/dbraw/zinc/14/88/72/245148872.db2.gz DHDQLCDWCMLIOB-ZETCQYMHSA-N -1 0 332.765 2.320 20 5 EEBDRM C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[C@H]1C(=O)[O-] ZINC000262883817 245232424 /nfs/dbraw/zinc/23/24/24/245232424.db2.gz HAMFCWZONQRNBY-MWLCHTKSSA-N -1 0 331.328 2.259 20 5 EEBDRM C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[C@H]1C(=O)[O-] ZINC000262908837 245245351 /nfs/dbraw/zinc/24/53/51/245245351.db2.gz IOLWRBKJWRLQOS-ZWNOBZJWSA-N -1 0 345.355 2.188 20 5 EEBDRM CCC[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000263242124 245368444 /nfs/dbraw/zinc/36/84/44/245368444.db2.gz UDSVIOPZHNRFER-LBPRGKRZSA-N -1 0 333.344 2.167 20 5 EEBDRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262861548 304169747 /nfs/dbraw/zinc/16/97/47/304169747.db2.gz FKKWBPMCUSNDEU-JTQLQIEISA-N -1 0 334.250 2.049 20 5 EEBDRM CCOC(=O)C1CCC(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000269204508 255544881 /nfs/dbraw/zinc/54/48/81/255544881.db2.gz PLAGUHDTRDXTGF-UHFFFAOYSA-N -1 0 336.344 2.152 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000272911157 256249027 /nfs/dbraw/zinc/24/90/27/256249027.db2.gz ODERZCUDTQAIHS-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273349022 256288989 /nfs/dbraw/zinc/28/89/89/256288989.db2.gz SNPYBUPEQJSVGK-UHFFFAOYSA-N -1 0 338.360 2.493 20 5 EEBDRM Cc1ccc(/C=C/C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)o1 ZINC000112160776 292226596 /nfs/dbraw/zinc/22/65/96/292226596.db2.gz PHUCHQBMZQHACK-SNAWJCMRSA-N -1 0 342.354 2.076 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000262492483 152285954 /nfs/dbraw/zinc/28/59/54/152285954.db2.gz MFWQCHNBIIWUPA-UHFFFAOYSA-N -1 0 348.311 2.475 20 5 EEBDRM CC(C)n1cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC000355884370 153185057 /nfs/dbraw/zinc/18/50/57/153185057.db2.gz PPWVLOKXTQSIDQ-UHFFFAOYSA-N -1 0 328.325 2.312 20 5 EEBDRM Cn1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1-n1cccc1 ZINC000089531678 159182591 /nfs/dbraw/zinc/18/25/91/159182591.db2.gz FDZXRLHNZRUKGA-UHFFFAOYSA-N -1 0 327.300 2.077 20 5 EEBDRM COc1cc(NC(=O)CC(C)(C)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000360097744 164231626 /nfs/dbraw/zinc/23/16/26/164231626.db2.gz LGDTZYABPWTICA-UHFFFAOYSA-N -1 0 326.305 2.051 20 5 EEBDRM O=C([O-])c1cccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000362527645 164707600 /nfs/dbraw/zinc/70/76/00/164707600.db2.gz DKSUUOHEMCBRFL-UHFFFAOYSA-N -1 0 343.339 2.441 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000364169091 165039627 /nfs/dbraw/zinc/03/96/27/165039627.db2.gz KRNQZLIYRKSILH-UHFFFAOYSA-N -1 0 345.355 2.332 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCCC(=O)[O-] ZINC000274948850 269078880 /nfs/dbraw/zinc/07/88/80/269078880.db2.gz HOVQTAUAADUMIO-SNVBAGLBSA-N -1 0 344.389 2.079 20 5 EEBDRM O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000279845363 269310732 /nfs/dbraw/zinc/31/07/32/269310732.db2.gz FRDNBYXRLQVPJB-VIFPVBQESA-N -1 0 332.316 2.170 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000288356681 275049946 /nfs/dbraw/zinc/04/99/46/275049946.db2.gz JIBQWBXCIVRIRK-YFKPBYRVSA-N -1 0 332.687 2.477 20 5 EEBDRM CN1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000164087129 290031280 /nfs/dbraw/zinc/03/12/80/290031280.db2.gz AYRGQOIFLUGCBQ-MRXNPFEDSA-N -1 0 341.367 2.429 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCCC[C@H]1c1ncon1 ZINC000189617555 304524752 /nfs/dbraw/zinc/52/47/52/304524752.db2.gz QWFAFMFBMDMRLN-NSHDSACASA-N -1 0 332.316 2.441 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000158897064 311333774 /nfs/dbraw/zinc/33/37/74/311333774.db2.gz YHJSSWFMXRLMAT-UHFFFAOYSA-N -1 0 340.332 2.335 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N(C)Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000160619974 311356572 /nfs/dbraw/zinc/35/65/72/311356572.db2.gz LIDOGSCMDFKJKF-UHFFFAOYSA-N -1 0 331.357 2.233 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000326515814 311603866 /nfs/dbraw/zinc/60/38/66/311603866.db2.gz CFMRGZXDMJFNII-UHFFFAOYSA-N -1 0 348.315 2.478 20 5 EEBDRM CC(C)n1cc(C(C)(C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nn1 ZINC000422072246 314176835 /nfs/dbraw/zinc/17/68/35/314176835.db2.gz PUMNMULDOQWQFU-UHFFFAOYSA-N -1 0 333.348 2.138 20 5 EEBDRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000432110898 314679836 /nfs/dbraw/zinc/67/98/36/314679836.db2.gz VNJGLUIKUNBGCJ-LBPRGKRZSA-N -1 0 331.328 2.129 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c([N+](=O)[O-])n1 ZINC000435720190 314920005 /nfs/dbraw/zinc/92/00/05/314920005.db2.gz WDUMAZXZJIEGIB-UHFFFAOYSA-N -1 0 348.743 2.405 20 5 EEBDRM COC(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436773011 314996893 /nfs/dbraw/zinc/99/68/93/314996893.db2.gz QAWWULYUBBYUPU-UHFFFAOYSA-N -1 0 344.323 2.060 20 5 EEBDRM COc1ccc(COCCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436893571 315010448 /nfs/dbraw/zinc/01/04/48/315010448.db2.gz QAJCVEFBHNBERQ-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM CCN(CC)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cn1 ZINC000436913243 315012154 /nfs/dbraw/zinc/01/21/54/315012154.db2.gz ZVEXJCCYNIXMEA-UHFFFAOYSA-N -1 0 344.371 2.472 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC000493133715 315889099 /nfs/dbraw/zinc/88/90/99/315889099.db2.gz SYUVSEGRWJFLTP-SREVYHEPSA-N -1 0 344.327 2.263 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]([C@H](CO)C2CC2)C2CC2)n1 ZINC000515302422 316478039 /nfs/dbraw/zinc/47/80/39/316478039.db2.gz SMKXKHDNAABZLC-OLZOCXBDSA-N -1 0 335.360 2.205 20 5 EEBDRM CC(C)[C@H](CO)[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(C)C ZINC000515655534 316510470 /nfs/dbraw/zinc/51/04/70/316510470.db2.gz KHAHCRPADFLZMV-RYUDHWBXSA-N -1 0 325.365 2.389 20 5 EEBDRM Cc1cccc2c1OC[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000515655089 316510617 /nfs/dbraw/zinc/51/06/17/316510617.db2.gz DMNQRJSRFLLADY-LLVKDONJSA-N -1 0 329.312 2.412 20 5 EEBDRM C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000519066437 316760433 /nfs/dbraw/zinc/76/04/33/316760433.db2.gz CAEMYGGUZRKRIO-RISCZKNCSA-N -1 0 335.360 2.032 20 5 EEBDRM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000541729683 318107439 /nfs/dbraw/zinc/10/74/39/318107439.db2.gz QOTGQSYBBHESBY-GFCCVEGCSA-N -1 0 330.340 2.324 20 5 EEBDRM COC(=O)CC1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000547797755 318324063 /nfs/dbraw/zinc/32/40/63/318324063.db2.gz MWHNWQBZJQRYSA-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000570042403 319631204 /nfs/dbraw/zinc/63/12/04/319631204.db2.gz LAQJTRZEHYASPM-CQSZACIVSA-N -1 0 344.389 2.071 20 5 EEBDRM CCC(C)(C)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570519002 319672986 /nfs/dbraw/zinc/67/29/86/319672986.db2.gz PHXOPFGRMYNBCI-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM C[C@H]1[C@H](CO)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578535289 323649940 /nfs/dbraw/zinc/64/99/40/323649940.db2.gz HBSPWVMITCGIMM-IUCAKERBSA-N -1 0 328.752 2.187 20 5 EEBDRM O=C([O-])c1ccnc(NCc2cccc3c2OCCCO3)c1[N+](=O)[O-] ZINC000581610512 324289718 /nfs/dbraw/zinc/28/97/18/324289718.db2.gz RHEMSVOGBDREOB-UHFFFAOYSA-N -1 0 345.311 2.461 20 5 EEBDRM COCc1nc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cs1 ZINC000521630029 449005031 /nfs/dbraw/zinc/00/50/31/449005031.db2.gz XFFUHCUSUQYTPA-UHFFFAOYSA-N -1 0 338.345 2.211 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC000327937832 465054619 /nfs/dbraw/zinc/05/46/19/465054619.db2.gz HMKWGIDHSFVDTB-GFCCVEGCSA-N -1 0 342.307 2.432 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](OCc2ccncc2)C1 ZINC000339145572 465107203 /nfs/dbraw/zinc/10/72/03/465107203.db2.gz LUZWNKXQJJLTFW-MRXNPFEDSA-N -1 0 329.356 2.487 20 5 EEBDRM CCOCCC1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000156793698 463068794 /nfs/dbraw/zinc/06/87/94/463068794.db2.gz QERONBUALKYIRZ-UHFFFAOYSA-N -1 0 346.380 2.219 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000156890765 463079258 /nfs/dbraw/zinc/07/92/58/463079258.db2.gz JROBJSWENQWIQD-JOMGAKPTSA-N -1 0 340.401 2.110 20 5 EEBDRM Cn1cc(Br)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000138477476 463310368 /nfs/dbraw/zinc/31/03/68/463310368.db2.gz VVIYRCFLVDPGGX-UHFFFAOYSA-N -1 0 341.121 2.049 20 5 EEBDRM CCCCOCCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123654429 463357353 /nfs/dbraw/zinc/35/73/53/463357353.db2.gz YCDSGJPEXSPKOI-UHFFFAOYSA-N -1 0 334.369 2.219 20 5 EEBDRM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000032631899 463384373 /nfs/dbraw/zinc/38/43/73/463384373.db2.gz QURCBVRHPGGBQX-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032630040 463384442 /nfs/dbraw/zinc/38/44/42/463384442.db2.gz NWZSCHWHKHLVPP-UHFFFAOYSA-N -1 0 349.368 2.145 20 5 EEBDRM O=C(NCCN1CCc2sccc2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164344152 463621277 /nfs/dbraw/zinc/62/12/77/463621277.db2.gz LZBFIWWQVRVGGZ-UHFFFAOYSA-N -1 0 347.396 2.150 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000269145164 463890293 /nfs/dbraw/zinc/89/02/93/463890293.db2.gz NUDZJYOTXBPNTH-BMIGLBTASA-N -1 0 338.385 2.085 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000269155653 463891873 /nfs/dbraw/zinc/89/18/73/463891873.db2.gz RNETXECMXXZQLN-ABAIWWIYSA-N -1 0 338.385 2.085 20 5 EEBDRM CN1C(=O)Cc2cc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)ccc21 ZINC000194698567 463911721 /nfs/dbraw/zinc/91/17/21/463911721.db2.gz JUEZIACQDJBMKL-UHFFFAOYSA-N -1 0 327.296 2.072 20 5 EEBDRM O=[N+]([O-])c1cccc2c1CCN2Cc1c([O-])nnn1-c1ccccc1 ZINC000178918123 464014848 /nfs/dbraw/zinc/01/48/48/464014848.db2.gz GFIBADNQZMOXCX-UHFFFAOYSA-N -1 0 337.339 2.444 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(N(C)C)cn1 ZINC000172213053 464018147 /nfs/dbraw/zinc/01/81/47/464018147.db2.gz CPIVUATYBGQWNB-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000237557348 464339224 /nfs/dbraw/zinc/33/92/24/464339224.db2.gz ZXSOIAPRENEULQ-RYUDHWBXSA-N -1 0 349.387 2.234 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000180758318 464387573 /nfs/dbraw/zinc/38/75/73/464387573.db2.gz MWAWAYQIJDEYDT-UHFFFAOYSA-N -1 0 329.284 2.377 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000174771055 464449252 /nfs/dbraw/zinc/44/92/52/464449252.db2.gz KXZVELRLJBAZAD-UHFFFAOYSA-N -1 0 336.373 2.311 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593924962 468436260 /nfs/dbraw/zinc/43/62/60/468436260.db2.gz MMHZLPFFMFYJEO-SNVBAGLBSA-N -1 0 344.751 2.339 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593924961 468436497 /nfs/dbraw/zinc/43/64/97/468436497.db2.gz MMHZLPFFMFYJEO-JTQLQIEISA-N -1 0 344.751 2.339 20 5 EEBDRM CCc1ccc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000331999155 466339053 /nfs/dbraw/zinc/33/90/53/466339053.db2.gz VYVPMFHUBOBUMA-LBPRGKRZSA-N -1 0 345.359 2.348 20 5 EEBDRM CC(C)c1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1[N+](=O)[O-] ZINC000372614148 466508152 /nfs/dbraw/zinc/50/81/52/466508152.db2.gz VEGCWDNBKGKTEU-GFCCVEGCSA-N -1 0 344.375 2.251 20 5 EEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000323006416 466636399 /nfs/dbraw/zinc/63/63/99/466636399.db2.gz FDDPXTXJIQMGTL-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000376092041 466891167 /nfs/dbraw/zinc/89/11/67/466891167.db2.gz FAXSMBWTYCTALW-LLVKDONJSA-N -1 0 330.344 2.054 20 5 EEBDRM Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c2ccccc2c1=O ZINC000430282018 467416409 /nfs/dbraw/zinc/41/64/09/467416409.db2.gz DPCCAIJMFMCGFP-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436791447 467554683 /nfs/dbraw/zinc/55/46/83/467554683.db2.gz JNYMUNRIIJAACW-QWHCGFSZSA-N -1 0 349.387 2.162 20 5 EEBDRM C[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000520230313 468235925 /nfs/dbraw/zinc/23/59/25/468235925.db2.gz KNZCOSLIQIFHJA-UFBFGSQYSA-N -1 0 325.296 2.308 20 5 EEBDRM C[C@@H]1CCCCN1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000594570760 468623983 /nfs/dbraw/zinc/62/39/83/468623983.db2.gz WCLXICRRQCBFMX-BXUZGUMPSA-N -1 0 335.360 2.175 20 5 EEBDRM CC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594597564 468630807 /nfs/dbraw/zinc/63/08/07/468630807.db2.gz OBVNMOJSMHMNPL-KBPBESRZSA-N -1 0 336.344 2.371 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000600800492 468661049 /nfs/dbraw/zinc/66/10/49/468661049.db2.gz MEBWPTGCPPCETR-YPMHNXCESA-N -1 0 349.387 2.280 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC(C(F)F)CC2)cc([N+](=O)[O-])c1 ZINC000600881786 468674453 /nfs/dbraw/zinc/67/44/53/468674453.db2.gz QGXFSNSIDMBVDE-UHFFFAOYSA-N -1 0 328.271 2.410 20 5 EEBDRM O=C([O-])c1csc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000571023221 468726939 /nfs/dbraw/zinc/72/69/39/468726939.db2.gz IPGURDPWRHILEC-UHFFFAOYSA-N -1 0 336.281 2.336 20 5 EEBDRM O=C([O-])c1cc(N2CCCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000592968848 468831049 /nfs/dbraw/zinc/83/10/49/468831049.db2.gz XHFJATVGXPXQHO-UHFFFAOYSA-N -1 0 347.293 2.367 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000601416941 468865638 /nfs/dbraw/zinc/86/56/38/468865638.db2.gz DVAIANQNUWCLKQ-LURJTMIESA-N -1 0 330.259 2.271 20 5 EEBDRM CCOC(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])o1 ZINC000610883615 469103775 /nfs/dbraw/zinc/10/37/75/469103775.db2.gz XLQJSMLMJYZPHP-UHFFFAOYSA-N -1 0 334.284 2.000 20 5 EEBDRM CCCc1[nH]nc(C(=O)Nc2cccc(CC(=O)[O-])c2)c1[N+](=O)[O-] ZINC000610891301 469106093 /nfs/dbraw/zinc/10/60/93/469106093.db2.gz KKDLZZSMIZYKMD-UHFFFAOYSA-N -1 0 332.316 2.150 20 5 EEBDRM CNc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000611464111 469255317 /nfs/dbraw/zinc/25/53/17/469255317.db2.gz XSUPSWPYYJKUFY-AWEZNQCLSA-N -1 0 347.302 2.331 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]2c2ccccc2)ccc1[O-] ZINC000604032066 469452924 /nfs/dbraw/zinc/45/29/24/469452924.db2.gz HYDUILKIBFDTFN-CYBMUJFWSA-N -1 0 334.353 2.436 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000617742388 469788367 /nfs/dbraw/zinc/78/83/67/469788367.db2.gz LGJGRHHDBVROIW-NSHDSACASA-N -1 0 335.360 2.261 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1c(F)cccc1F ZINC000610261563 469995870 /nfs/dbraw/zinc/99/58/70/469995870.db2.gz HJGZDIHNTJOIAU-MRVPVSSYSA-N -1 0 343.311 2.308 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000610336710 470004828 /nfs/dbraw/zinc/00/48/28/470004828.db2.gz HEOCBDJEGDAIIM-UHFFFAOYSA-N -1 0 340.336 2.141 20 5 EEBDRM CC(C)(CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236717643 535140672 /nfs/dbraw/zinc/14/06/72/535140672.db2.gz ZTLSZMCIRVCOTJ-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(C(=O)[O-])cc1 ZINC000738227513 578004705 /nfs/dbraw/zinc/00/47/05/578004705.db2.gz AMHOFDDGTATWGX-JTQLQIEISA-N -1 0 333.300 2.184 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)CCCC(=O)[O-] ZINC000738233447 578005217 /nfs/dbraw/zinc/00/52/17/578005217.db2.gz PAOKWABXKDQLEK-UHFFFAOYSA-N -1 0 337.737 2.130 20 5 EEBDRM COc1ccc(NC(=O)CCSC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000738028880 576734380 /nfs/dbraw/zinc/73/43/80/576734380.db2.gz WKMFSGPOOZILJF-SECBINFHSA-N -1 0 342.373 2.386 20 5 EEBDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000776636071 577465097 /nfs/dbraw/zinc/46/50/97/577465097.db2.gz RUPWAKLHAPEKKR-UHFFFAOYSA-N -1 0 345.311 2.201 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000776685151 577466043 /nfs/dbraw/zinc/46/60/43/577466043.db2.gz LGDMAVKFWWZLEC-UHFFFAOYSA-N -1 0 345.267 2.131 20 5 EEBDRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000767999532 577548862 /nfs/dbraw/zinc/54/88/62/577548862.db2.gz HONQRVWNTGUHKT-UHFFFAOYSA-N -1 0 344.389 2.235 20 5 EEBDRM O=C(NCc1nnc(-c2ccccc2)[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000769008644 577567295 /nfs/dbraw/zinc/56/72/95/577567295.db2.gz MMMYMMXBTMJNSP-UHFFFAOYSA-N -1 0 339.311 2.016 20 5 EEBDRM O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000759939982 577654373 /nfs/dbraw/zinc/65/43/73/577654373.db2.gz MXKVKBYPNOLNAF-WDEREUQCSA-N -1 0 349.303 2.368 20 5 EEBDRM CCCC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000761195540 577678815 /nfs/dbraw/zinc/67/88/15/577678815.db2.gz OHIFOILOMFCVLX-UHFFFAOYSA-N -1 0 326.374 2.288 20 5 EEBDRM O=C(Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)CC1CCCCC1 ZINC000746446789 577927935 /nfs/dbraw/zinc/92/79/35/577927935.db2.gz WMMZTSAWCPOEAT-UHFFFAOYSA-N -1 0 340.401 2.164 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(CCC(=O)[O-])s2)c1 ZINC000738664666 578023211 /nfs/dbraw/zinc/02/32/11/578023211.db2.gz KKHUHHGMFISJMS-UHFFFAOYSA-N -1 0 336.329 2.024 20 5 EEBDRM O=C([O-])c1coc(COC(=O)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000739251552 578045725 /nfs/dbraw/zinc/04/57/25/578045725.db2.gz NDZIRBBJRALUAH-UHFFFAOYSA-N -1 0 335.268 2.398 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000739373345 578050842 /nfs/dbraw/zinc/05/08/42/578050842.db2.gz OVHLGLUXFBNWKP-ZDUSSCGKSA-N -1 0 336.250 2.429 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000739373344 578050852 /nfs/dbraw/zinc/05/08/52/578050852.db2.gz OVHLGLUXFBNWKP-CYBMUJFWSA-N -1 0 336.250 2.429 20 5 EEBDRM CC(C)CCn1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nn1 ZINC000736436193 578203671 /nfs/dbraw/zinc/20/36/71/578203671.db2.gz SDUREHNQUKYYAO-UHFFFAOYSA-N -1 0 347.331 2.183 20 5 EEBDRM C[C@H](CSc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736618409 578214154 /nfs/dbraw/zinc/21/41/54/578214154.db2.gz PGZBQFYNLCRPLT-SECBINFHSA-N -1 0 349.368 2.372 20 5 EEBDRM CC[C@H](C)[C@@](C)(O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736869341 578227531 /nfs/dbraw/zinc/22/75/31/578227531.db2.gz DMHVKAXUDYPMJP-RTHLEPHNSA-N -1 0 341.320 2.410 20 5 EEBDRM CCOc1ncccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737220235 578244136 /nfs/dbraw/zinc/24/41/36/578244136.db2.gz IVFLEVBLZNTBBP-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000817948144 597224491 /nfs/dbraw/zinc/22/44/91/597224491.db2.gz JTSKEFXFHOKCRU-SNVBAGLBSA-N -1 0 345.149 2.196 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000821515301 597512996 /nfs/dbraw/zinc/51/29/96/597512996.db2.gz DYVVESGPGZFCQG-SNVBAGLBSA-N -1 0 331.328 2.403 20 5 EEBDRM Cn1cnc2cc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc21 ZINC000833058594 600792253 /nfs/dbraw/zinc/79/22/53/600792253.db2.gz ZAUAFKUITYBHNZ-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM C[C@H](CC[S@](C)=O)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000827421864 600999051 /nfs/dbraw/zinc/99/90/51/600999051.db2.gz CAXPWHWZNULERF-ZZMSJOBRSA-N -1 0 326.374 2.262 20 5 EEBDRM Cc1cccnc1NC(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832983259 601144880 /nfs/dbraw/zinc/14/48/80/601144880.db2.gz AARVONFUXQJDRM-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM C/C(=C/COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000825759140 601406399 /nfs/dbraw/zinc/40/63/99/601406399.db2.gz XAOVFGPJSJPBQK-WQLSENKSSA-N -1 0 348.355 2.385 20 5 EEBDRM O=C([O-])c1ccc2nc(SCCn3ccc([N+](=O)[O-])n3)oc2c1 ZINC000833326784 601474243 /nfs/dbraw/zinc/47/42/43/601474243.db2.gz UMHGVYKXAFBECI-UHFFFAOYSA-N -1 0 334.313 2.423 20 5 EEBDRM O=C([O-])c1sccc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000833348162 601890672 /nfs/dbraw/zinc/89/06/72/601890672.db2.gz OEVCGBGTBGWXHY-UHFFFAOYSA-N -1 0 331.309 2.113 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@@]2(CCO)CCOC2)cc1Cl ZINC000833307850 604273089 /nfs/dbraw/zinc/27/30/89/604273089.db2.gz QMJZLWRREVQCCC-CQSZACIVSA-N -1 0 344.751 2.147 20 5 EEBDRM C[C@H](CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[S@@](C)=O ZINC000827417293 604284429 /nfs/dbraw/zinc/28/44/29/604284429.db2.gz BZCZRPDTHAIOMY-VUPQUSIZSA-N -1 0 326.374 2.262 20 5 EEBDRM CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1(C(=O)[O-])CCCC1 ZINC000830500481 604726855 /nfs/dbraw/zinc/72/68/55/604726855.db2.gz RFDHEPPQBVCJBT-UHFFFAOYSA-N -1 0 345.355 2.405 20 5 EEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000831005673 604802866 /nfs/dbraw/zinc/80/28/66/604802866.db2.gz VJZPYCBAIXRRIJ-CQSZACIVSA-N -1 0 343.339 2.235 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H](CCO)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000833296417 604892398 /nfs/dbraw/zinc/89/23/98/604892398.db2.gz WOUKCRMETDHDSB-OAHLLOKOSA-N -1 0 344.323 2.147 20 5 EEBDRM C/C(=C/C(=O)NC1(CC(=O)[O-])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000833384534 605354320 /nfs/dbraw/zinc/35/43/20/605354320.db2.gz YBHXZHAEEUMWSF-BENRWUELSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1[nH]nc2ncc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc12 ZINC000120083619 674592913 /nfs/dbraw/zinc/59/29/13/674592913.db2.gz XNOREZDKLDKPPJ-UHFFFAOYSA-N -1 0 339.358 2.037 20 5 EEBDRM O=C(N[C@@H]1CCc2ccccc2OC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000338270605 681902736 /nfs/dbraw/zinc/90/27/36/681902736.db2.gz ARVLYECFNLXGSW-CYBMUJFWSA-N -1 0 328.324 2.424 20 5 EEBDRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013469595 682910691 /nfs/dbraw/zinc/91/06/91/682910691.db2.gz TZXNENMLKZEZKA-NWDGAFQWSA-N -1 0 335.272 2.109 20 5 EEBDRM Cc1nc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)sc1C ZINC000119901188 683586383 /nfs/dbraw/zinc/58/63/83/683586383.db2.gz DOLXAOVFFQUCEN-UHFFFAOYSA-N -1 0 333.416 2.208 20 5 EEBDRM Cc1c(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000262142359 684027662 /nfs/dbraw/zinc/02/76/62/684027662.db2.gz HGEHNDNGYZMIHO-NXEZZACHSA-N -1 0 346.261 2.238 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1O ZINC000778568581 1208292394 /nfs/dbraw/zinc/29/23/94/1208292394.db2.gz ZCJDEPHHUARYPY-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000802864662 1238471491 /nfs/dbraw/zinc/47/14/91/1238471491.db2.gz HQYHHJMSYYGTSO-UHFFFAOYSA-N -1 0 326.355 2.083 20 5 EEBDRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000850731331 1277318259 /nfs/dbraw/zinc/31/82/59/1277318259.db2.gz QDBFKVMPAKUISI-ZDUSSCGKSA-N -1 0 332.353 2.318 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000115924584 1294039009 /nfs/dbraw/zinc/03/90/09/1294039009.db2.gz BTJMZQINYRDYTK-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)cs1 ZINC000863449123 1296288086 /nfs/dbraw/zinc/28/80/86/1296288086.db2.gz UJXWKYQLVDTEEX-UHFFFAOYSA-N -1 0 326.359 2.125 20 5 EEBDRM O=[N+]([O-])c1cc([O-])ccc1-c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001216894809 1297329269 /nfs/dbraw/zinc/32/92/69/1297329269.db2.gz WEPFUALUPFQXQP-UHFFFAOYSA-N -1 0 347.218 2.460 20 5 EEBDRM CCCCOC[C@H](C)OC[C@H](C)Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226335678 1301362542 /nfs/dbraw/zinc/36/25/42/1301362542.db2.gz KMGFPNHQSRUPPC-QWRGUYRKSA-N -1 0 329.353 2.080 20 5 EEBDRM CCCCOC(=O)[C@H](C)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228603453 1302333062 /nfs/dbraw/zinc/33/30/62/1302333062.db2.gz JNCWIRQYIPJTQF-QMMMGPOBSA-N -1 0 325.321 2.078 20 5 EEBDRM O=[N+]([O-])c1c([O-])cc(O)cc1OC[C@H]1CC[C@@]2(CCCCO2)O1 ZINC001228972521 1302553554 /nfs/dbraw/zinc/55/35/54/1302553554.db2.gz XLQWJUPCQQIIQI-IAQYHMDHSA-N -1 0 325.317 2.461 20 5 EEBDRM COc1ccc2c(c1)CC[C@@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001229379095 1302753682 /nfs/dbraw/zinc/75/36/82/1302753682.db2.gz QFDZSUPIJOBGCT-CYBMUJFWSA-N -1 0 331.328 2.344 20 5 EEBDRM COc1ccccc1OC[C@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229382316 1302756245 /nfs/dbraw/zinc/75/62/45/1302756245.db2.gz RKFYIGJNUHODHA-VIFPVBQESA-N -1 0 335.316 2.254 20 5 EEBDRM O=[N+]([O-])C[C@@H](Oc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCO2 ZINC001229395076 1302761397 /nfs/dbraw/zinc/76/13/97/1302761397.db2.gz FCBKFLLMTUHTSJ-OAHLLOKOSA-N -1 0 348.267 2.426 20 5 EEBDRM COC(=O)[C@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001231265108 1303711688 /nfs/dbraw/zinc/71/16/88/1303711688.db2.gz YKHBVBSCPGPPJD-CYBMUJFWSA-N -1 0 336.275 2.436 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C12CCC(CC1)C2 ZINC000784892943 1304565191 /nfs/dbraw/zinc/56/51/91/1304565191.db2.gz JNTJQKAONJBVSO-UHFFFAOYSA-N -1 0 342.348 2.119 20 5 EEBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]C1(C(F)(F)F)CC1 ZINC001262077361 1322230932 /nfs/dbraw/zinc/23/09/32/1322230932.db2.gz BVCWFINBKSTSKZ-UHFFFAOYSA-N -1 0 338.307 2.152 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC001608537739 1351712160 /nfs/dbraw/zinc/71/21/60/1351712160.db2.gz ZHUVGRPBRGHFQP-VHDGCEQUSA-N -1 0 332.356 2.315 20 5 EEBDRM O=C([O-])c1ccc(Cn2ccc(=O)c([N+](=O)[O-])c2)c2ncccc12 ZINC001602360978 1350503956 /nfs/dbraw/zinc/50/39/56/1350503956.db2.gz UZHFWANZTZGSKY-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM O=C([O-])c1ccc(OC[C@H]2CCC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC001602389179 1350508850 /nfs/dbraw/zinc/50/88/50/1350508850.db2.gz MMYBIVIBZOXGGZ-GFCCVEGCSA-N -1 0 337.328 2.400 20 5 EEBDRM O=C([O-])[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001608543820 1351713085 /nfs/dbraw/zinc/71/30/85/1351713085.db2.gz PJWGLNZDNASJOQ-SNVBAGLBSA-N -1 0 339.710 2.485 20 5 EEBDRM Cc1c(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1CC(=O)[O-] ZINC001607709731 1351543928 /nfs/dbraw/zinc/54/39/28/1351543928.db2.gz REPLIXZMETVEGH-UHFFFAOYSA-N -1 0 333.304 2.137 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)n1 ZINC001607709570 1351543962 /nfs/dbraw/zinc/54/39/62/1351543962.db2.gz JMQMGPBNRVEJJK-CQSZACIVSA-N -1 0 341.323 2.122 20 5 EEBDRM O=C([O-])C1(CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001608316718 1351669720 /nfs/dbraw/zinc/66/97/20/1351669720.db2.gz KVKFVSMDFJDLFN-UHFFFAOYSA-N -1 0 326.736 2.162 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001608780390 1351761502 /nfs/dbraw/zinc/76/15/02/1351761502.db2.gz HLRJWUKOSSUXCH-AWEZNQCLSA-N -1 0 346.339 2.074 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc(F)c1Cl ZINC001608856275 1351779794 /nfs/dbraw/zinc/77/97/94/1351779794.db2.gz QXDVCSYEIHHDLT-UHFFFAOYSA-N -1 0 328.643 2.061 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc(-n3ccnc3)cc2)n1 ZINC001608915112 1351793409 /nfs/dbraw/zinc/79/34/09/1351793409.db2.gz FHTPXPIMCXTSHE-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])c1cnc(NCc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC001608977852 1351806488 /nfs/dbraw/zinc/80/64/88/1351806488.db2.gz GUVSWTODULCNRK-UHFFFAOYSA-N -1 0 331.284 2.071 20 5 EEBDRM O=C([O-])c1nccc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001608997675 1351811012 /nfs/dbraw/zinc/81/10/12/1351811012.db2.gz JSQOTUNDDMJUMA-GFCCVEGCSA-N -1 0 328.328 2.467 20 5 EEBDRM Cc1coc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c1C ZINC001327889946 1334359909 /nfs/dbraw/zinc/35/99/09/1334359909.db2.gz JWJAWMOTZFBCCM-UHFFFAOYSA-N -1 0 342.304 2.062 20 5 EEBDRM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)o1 ZINC001609576581 1352023331 /nfs/dbraw/zinc/02/33/31/1352023331.db2.gz AGETVNKEJBQQBQ-UHFFFAOYSA-N -1 0 349.690 2.378 20 5 EEBDRM CC(C)(C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001609647439 1352049462 /nfs/dbraw/zinc/04/94/62/1352049462.db2.gz LGGQFUZNAGTLCI-SNVBAGLBSA-N -1 0 338.335 2.477 20 5 EEBDRM CC1(C)CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC001609815810 1352092323 /nfs/dbraw/zinc/09/23/23/1352092323.db2.gz MEVWVBDWFYDZTQ-VIFPVBQESA-N -1 0 342.373 2.150 20 5 EEBDRM CCC(CC)N(CC)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001609916591 1352119202 /nfs/dbraw/zinc/11/92/02/1352119202.db2.gz DKLGHALFCJIEKK-UHFFFAOYSA-N -1 0 344.389 2.492 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001610000252 1352137542 /nfs/dbraw/zinc/13/75/42/1352137542.db2.gz GBGWCFLKVFDCLM-UHFFFAOYSA-N -1 0 326.324 2.335 20 5 EEBDRM CCO[C@H]1C[C@@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001610037872 1352147639 /nfs/dbraw/zinc/14/76/39/1352147639.db2.gz HIOCCEYCPFQELZ-OTSSQURYSA-N -1 0 325.277 2.181 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ocnc1C(=O)[O-] ZINC001610045402 1352148875 /nfs/dbraw/zinc/14/88/75/1352148875.db2.gz YGDJPUBWWFLIDS-UHFFFAOYSA-N -1 0 349.299 2.251 20 5 EEBDRM CCOc1ncccc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610049612 1352149805 /nfs/dbraw/zinc/14/98/05/1352149805.db2.gz ZEOZGQPLCXNWPL-UHFFFAOYSA-N -1 0 332.268 2.306 20 5 EEBDRM COc1cc(COC(=O)c2ccnc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001610298127 1352201948 /nfs/dbraw/zinc/20/19/48/1352201948.db2.gz KJPNPXOIIHKTFP-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2nccc(C(F)F)n2)n1 ZINC001610440550 1352222681 /nfs/dbraw/zinc/22/26/81/1352222681.db2.gz WCIMZYPJUBENCH-UHFFFAOYSA-N -1 0 339.258 2.336 20 5 EEBDRM Cc1csc(C(=O)[O-])c1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001610546384 1352242630 /nfs/dbraw/zinc/24/26/30/1352242630.db2.gz XSLSZEIZSVEXLG-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1ocnc1CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001610588430 1352249998 /nfs/dbraw/zinc/24/99/98/1352249998.db2.gz KWDQQTSDCJVQGR-UHFFFAOYSA-N -1 0 334.288 2.220 20 5 EEBDRM O=[N+]([O-])c1cnc(Oc2ccc(F)nc2-c2nnn[n-]2)c(Cl)c1 ZINC001593487838 1349816320 /nfs/dbraw/zinc/81/63/20/1349816320.db2.gz SFJQAABUJQSITN-UHFFFAOYSA-N -1 0 337.658 2.150 20 5 EEBDRM Cc1c(CC(=O)Nc2cccc(C(=O)[O-])c2N)cccc1[N+](=O)[O-] ZINC001600012014 1349955093 /nfs/dbraw/zinc/95/50/93/1349955093.db2.gz XEUXJNIHAMVIOC-UHFFFAOYSA-N -1 0 329.312 2.365 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041061 1349960576 /nfs/dbraw/zinc/96/05/76/1349960576.db2.gz PCHLJBLAAWYSQB-LPBBDHJYSA-N -1 0 337.332 2.289 20 5 EEBDRM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccc1O ZINC001600087149 1349968780 /nfs/dbraw/zinc/96/87/80/1349968780.db2.gz CASSOVBGBRPSDR-KRWDZBQOSA-N -1 0 344.323 2.339 20 5 EEBDRM Cc1cc(N2CCC[C@H](C(=O)NC(C)C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600240201 1349999661 /nfs/dbraw/zinc/99/96/61/1349999661.db2.gz GWQZSRRUFVOXDV-LBPRGKRZSA-N -1 0 349.387 2.342 20 5 EEBDRM Cc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001600445497 1350053665 /nfs/dbraw/zinc/05/36/65/1350053665.db2.gz MLVUVWAVMXVHCC-AWEZNQCLSA-N -1 0 330.296 2.274 20 5 EEBDRM Cc1nc(N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])ncc1[N+](=O)[O-] ZINC001600714236 1350119826 /nfs/dbraw/zinc/11/98/26/1350119826.db2.gz MBMYHZKLYDTWHX-MFKMUULPSA-N -1 0 330.344 2.437 20 5 EEBDRM Cc1nn(C)c(N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)c1[N+](=O)[O-] ZINC001600774137 1350133240 /nfs/dbraw/zinc/13/32/40/1350133240.db2.gz GQYDNMQXIFMZJQ-OPASDULOSA-N -1 0 340.405 2.178 20 5 EEBDRM Cn1ccc(C2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)n1 ZINC001600974272 1350180736 /nfs/dbraw/zinc/18/07/36/1350180736.db2.gz VMXCPGUWCMWHDB-UHFFFAOYSA-N -1 0 330.344 2.411 20 5 EEBDRM Cn1nc(C2CC2)cc1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001601012797 1350189742 /nfs/dbraw/zinc/18/97/42/1350189742.db2.gz JLNHPOUTMOEYEB-UHFFFAOYSA-N -1 0 330.344 2.445 20 5 EEBDRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001601405553 1350276426 /nfs/dbraw/zinc/27/64/26/1350276426.db2.gz DWUAYZNQZCQUEY-QMMMGPOBSA-N -1 0 345.233 2.212 20 5 EEBDRM O=C([O-])[C@@H](C[C@@H]1CCCOC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001601641622 1350326375 /nfs/dbraw/zinc/32/63/75/1350326375.db2.gz JURREYULZZSOJG-GXFFZTMASA-N -1 0 349.343 2.096 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001601666024 1350332585 /nfs/dbraw/zinc/33/25/85/1350332585.db2.gz CXBQCZWDTLPJEP-ZNMIVQPWSA-N -1 0 341.323 2.035 20 5 EEBDRM O=C([O-])C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCOC1 ZINC001601930049 1350399747 /nfs/dbraw/zinc/39/97/47/1350399747.db2.gz RXZHXNMINFFCOX-AWEZNQCLSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001602073158 1350430617 /nfs/dbraw/zinc/43/06/17/1350430617.db2.gz XMHUFQZEGWXYHU-ZDUSSCGKSA-N -1 0 347.371 2.036 20 5 EEBDRM O=C([O-])Cc1ccc(NCc2ccc3nonc3c2)c([N+](=O)[O-])c1 ZINC001602135992 1350447448 /nfs/dbraw/zinc/44/74/48/1350447448.db2.gz DBWMMTBHURQNAB-UHFFFAOYSA-N -1 0 328.284 2.370 20 5 EEBDRM O=C([O-])Cc1ccc(NCc2ccc(CCO)cc2)c([N+](=O)[O-])c1 ZINC001602136985 1350447521 /nfs/dbraw/zinc/44/75/21/1350447521.db2.gz ISKYPNSKOSXKCP-UHFFFAOYSA-N -1 0 330.340 2.369 20 5 EEBDRM O=C([O-])Cn1ncc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc21 ZINC001602169327 1350456391 /nfs/dbraw/zinc/45/63/91/1350456391.db2.gz WBRRVASCSIAQBM-UHFFFAOYSA-N -1 0 346.324 2.343 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCOCC2CCCC2)cc([N+](=O)[O-])c1 ZINC001602246150 1350475530 /nfs/dbraw/zinc/47/55/30/1350475530.db2.gz HASDYBXZBREXIQ-UHFFFAOYSA-N -1 0 336.344 2.230 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cccc3nccnc32)cc([N+](=O)[O-])c1 ZINC001602284794 1350485672 /nfs/dbraw/zinc/48/56/72/1350485672.db2.gz GGRHMXYBGMEXRA-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM O=C([O-])c1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001602356653 1350503082 /nfs/dbraw/zinc/50/30/82/1350503082.db2.gz GNCPYXIEZIWAKR-UHFFFAOYSA-N -1 0 339.300 2.406 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1F ZINC001602403161 1350511570 /nfs/dbraw/zinc/51/15/70/1350511570.db2.gz YOBIRGFTDPULJP-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccccc1N(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC001602470543 1350527073 /nfs/dbraw/zinc/52/70/73/1350527073.db2.gz FIHMTTNRMXFKLN-UHFFFAOYSA-N -1 0 344.327 2.075 20 5 EEBDRM O=C([O-])c1cnc(N[C@H]2CCCN(CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001602531650 1350539984 /nfs/dbraw/zinc/53/99/84/1350539984.db2.gz RZRXNJABZOJXIP-VIFPVBQESA-N -1 0 348.281 2.127 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC1 ZINC001603196645 1350660453 /nfs/dbraw/zinc/66/04/53/1350660453.db2.gz UTLJMRAFGJFYBF-MRVPVSSYSA-N -1 0 342.298 2.270 20 5 EEBDRM C[C@@H](C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001603226876 1350665608 /nfs/dbraw/zinc/66/56/08/1350665608.db2.gz WQZOVSVMHVYXEH-QMMMGPOBSA-N -1 0 339.300 2.176 20 5 EEBDRM CC(C)c1ccc(C(=O)Nc2nn(C)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001603997300 1350824676 /nfs/dbraw/zinc/82/46/76/1350824676.db2.gz VZMKBHYKHYAOME-UHFFFAOYSA-N -1 0 332.316 2.402 20 5 EEBDRM C[C@@](NC(=O)c1ccncc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604313648 1350913519 /nfs/dbraw/zinc/91/35/19/1350913519.db2.gz OOMLBKJZXJCNOH-HNNXBMFYSA-N -1 0 349.730 2.373 20 5 EEBDRM C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H](C)S1=O ZINC001604808459 1351012284 /nfs/dbraw/zinc/01/22/84/1351012284.db2.gz WYEIGLWTURMHMD-HTQZYQBOSA-N -1 0 346.792 2.292 20 5 EEBDRM CCCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@H](C)C(=O)[O-] ZINC001605299728 1351129648 /nfs/dbraw/zinc/12/96/48/1351129648.db2.gz KKUDJDPQCRRCIZ-SECBINFHSA-N -1 0 341.339 2.125 20 5 EEBDRM CN(CCCC(=O)[O-])c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001606115566 1351273036 /nfs/dbraw/zinc/27/30/36/1351273036.db2.gz XVAXZULNSNOXFV-UHFFFAOYSA-N -1 0 334.288 2.352 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001606139681 1351278143 /nfs/dbraw/zinc/27/81/43/1351278143.db2.gz MCLPTLSLMSLYOV-UHFFFAOYSA-N -1 0 329.312 2.003 20 5 EEBDRM COc1ccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)nc1 ZINC001607275888 1351463190 /nfs/dbraw/zinc/46/31/90/1351463190.db2.gz OJVRHKMADIZDMG-UHFFFAOYSA-N -1 0 333.300 2.074 20 5 EEBDRM Cc1c(Nc2ccc([N+](=O)[O-])c3cccnc23)cnn1CC(=O)[O-] ZINC001607553967 1351514495 /nfs/dbraw/zinc/51/44/95/1351514495.db2.gz GOGKKXKXHWISGM-UHFFFAOYSA-N -1 0 327.300 2.476 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(C(=O)[O-])cn2)c1 ZINC001607824738 1351565977 /nfs/dbraw/zinc/56/59/77/1351565977.db2.gz DFGPCZRIQDIRMR-UHFFFAOYSA-N -1 0 329.312 2.269 20 5 EEBDRM Cc1csc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC001607934349 1351588704 /nfs/dbraw/zinc/58/87/04/1351588704.db2.gz VCNDBVWBGFKPFH-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cn1ncc2ccc(CNc3nccc(C(=O)[O-])c3[N+](=O)[O-])cc21 ZINC001608161160 1351637804 /nfs/dbraw/zinc/63/78/04/1351637804.db2.gz XXFDUQZDABNVNS-UHFFFAOYSA-N -1 0 327.300 2.187 20 5 EEBDRM Nc1ccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC001608273756 1351660843 /nfs/dbraw/zinc/66/08/43/1351660843.db2.gz YYCKWBSPCSOOPE-UHFFFAOYSA-N -1 0 336.348 2.334 20 5 EEBDRM CN(c1ccccc1)[C@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001606181445 1404774311 /nfs/dbraw/zinc/77/43/11/1404774311.db2.gz ALKJSUMNFQEGPQ-AWEZNQCLSA-N -1 0 342.355 2.403 20 5 EEBDRM O=C([O-])C1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000164808927 1405712266 /nfs/dbraw/zinc/71/22/66/1405712266.db2.gz BUNRFXZDRXOMIQ-UHFFFAOYSA-N -1 0 343.133 2.094 20 5 EEBDRM COC(=O)c1nc(Cl)c(N)nc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210949037 758214473 /nfs/dbraw/zinc/21/44/73/758214473.db2.gz FIRSUDXKPRTSIR-UHFFFAOYSA-N -1 0 341.686 2.290 20 5 EEBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl)[N+](=O)[O-] ZINC000835216163 760356155 /nfs/dbraw/zinc/35/61/55/760356155.db2.gz UKNCEWRIRJDLOV-UHFFFAOYSA-N -1 0 348.808 2.122 20 5 EEBDRM Cc1nccn1-c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000780381739 761142152 /nfs/dbraw/zinc/14/21/52/761142152.db2.gz USBZKPVISOFCRZ-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cc(F)cc(F)c1 ZINC000112160580 775440492 /nfs/dbraw/zinc/44/04/92/775440492.db2.gz QANVMVLBGRBLSX-UHFFFAOYSA-N -1 0 348.308 2.053 20 5 EEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1C ZINC000112160903 775484519 /nfs/dbraw/zinc/48/45/19/775484519.db2.gz DHTFAPVMVOMYBN-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000809696256 783284164 /nfs/dbraw/zinc/28/41/64/783284164.db2.gz GBBLQDRSGBCNBW-CYBMUJFWSA-N -1 0 348.277 2.228 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(F)=C1CCCC1 ZINC000816006877 783582279 /nfs/dbraw/zinc/58/22/79/783582279.db2.gz OZAWKWDWRBFUMF-UHFFFAOYSA-N -1 0 346.311 2.336 20 5 EEBDRM C[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1nncn1C ZINC000844217213 788907439 /nfs/dbraw/zinc/90/74/39/788907439.db2.gz JHDXAHVCAWOFAB-AYYIZTPMSA-N -1 0 331.332 2.037 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@](C)(O)c2ccsc2)n1 ZINC000844210158 788927725 /nfs/dbraw/zinc/92/77/25/788927725.db2.gz QBVZJRZAFCOEJW-AWEZNQCLSA-N -1 0 337.357 2.378 20 5 EEBDRM CC1(C2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CC2)OCCO1 ZINC000844211148 788928314 /nfs/dbraw/zinc/92/83/14/788928314.db2.gz IJLWZARTGZUPER-UHFFFAOYSA-N -1 0 336.344 2.272 20 5 EEBDRM Cc1cc(N2CCC3(CC2)OCCCO3)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211099 788928862 /nfs/dbraw/zinc/92/88/62/788928862.db2.gz GSWUQNSSSIQMDB-UHFFFAOYSA-N -1 0 336.344 2.335 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC000806029750 790176210 /nfs/dbraw/zinc/17/62/10/790176210.db2.gz QKLMNSHPXUGQCU-SECBINFHSA-N -1 0 344.414 2.074 20 5 EEBDRM O=C([O-])c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000917730292 798338578 /nfs/dbraw/zinc/33/85/78/798338578.db2.gz IUYVNUMVZQXJIN-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C(Nc1cc(-c2nc[nH]n2)ccc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000791276513 809153448 /nfs/dbraw/zinc/15/34/48/809153448.db2.gz DOOJZBILPZVFFA-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM Cc1coc(C)c1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000793112364 810149337 /nfs/dbraw/zinc/14/93/37/810149337.db2.gz LUODQXVNTGFBGK-UHFFFAOYSA-N -1 0 338.341 2.064 20 5 EEBDRM O=C1OCc2c1cccc2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000808127078 812447173 /nfs/dbraw/zinc/44/71/73/812447173.db2.gz MVFSNNLOBWDSLE-UHFFFAOYSA-N -1 0 334.309 2.066 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000516904906 939246160 /nfs/dbraw/zinc/24/61/60/939246160.db2.gz PYQAKTSMXGTIKT-ZDUSSCGKSA-N -1 0 349.368 2.324 20 5 EEBDRM C[C@@](NC(=O)CNc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000610847765 939808351 /nfs/dbraw/zinc/80/83/51/939808351.db2.gz PQXCQDDAGMLKFN-KRWDZBQOSA-N -1 0 343.339 2.123 20 5 EEBDRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001601237311 970962466 /nfs/dbraw/zinc/96/24/66/970962466.db2.gz QFSMZQIBCLKDNO-SOFGYWHQSA-N -1 0 330.296 2.258 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC001611382328 971022728 /nfs/dbraw/zinc/02/27/28/971022728.db2.gz KIKPTEMUSLXCOF-NSHDSACASA-N -1 0 336.347 2.228 20 5 EEBDRM CC(C)(C(=O)N1CCC(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1F ZINC001602831225 971657173 /nfs/dbraw/zinc/65/71/73/971657173.db2.gz UDMRQIYTJNYSCF-UHFFFAOYSA-N -1 0 338.335 2.335 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC001595119053 951960715 /nfs/dbraw/zinc/96/07/15/951960715.db2.gz JBBXFYBQCPBTGR-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM CC(C)C[C@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001603010330 972061674 /nfs/dbraw/zinc/06/16/74/972061674.db2.gz FQGTWGAKSFURAA-SECBINFHSA-N -1 0 343.767 2.307 20 5 EEBDRM COC(=O)c1cnc(Nc2cccc(CC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001593893526 955801295 /nfs/dbraw/zinc/80/12/95/955801295.db2.gz ROJYJUBMPUTWFT-UHFFFAOYSA-N -1 0 331.284 2.147 20 5 EEBDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC001573382627 958671331 /nfs/dbraw/zinc/67/13/31/958671331.db2.gz BAWYLUMLHDMZCN-YVMONPNESA-N -1 0 344.327 2.263 20 5 EEBDRM O=C([O-])C[C@H]1COCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000129508717 958709804 /nfs/dbraw/zinc/70/98/04/958709804.db2.gz RTKRJLDCAUSKNU-VIFPVBQESA-N -1 0 345.149 2.037 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1C ZINC001574381616 961104359 /nfs/dbraw/zinc/10/43/59/961104359.db2.gz BVZJWWFQSQDCMV-CYBMUJFWSA-N -1 0 343.339 2.032 20 5 EEBDRM CCc1cc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC001573952370 961649025 /nfs/dbraw/zinc/64/90/25/961649025.db2.gz ILGJYEUPSGEAEC-XLFHBGCDSA-N -1 0 343.339 2.177 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001588963371 962638121 /nfs/dbraw/zinc/63/81/21/962638121.db2.gz QPGMKYGPUKEICC-INIZCTEOSA-N -1 0 346.343 2.171 20 5 EEBDRM C[C@H](CN(C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)[O-] ZINC001589031622 969910840 /nfs/dbraw/zinc/91/08/40/969910840.db2.gz XQNKVKBJOOYMPA-LLVKDONJSA-N -1 0 338.363 2.474 20 5 EEBDRM Cc1cc(OCC(=O)Nc2cc(C(=O)[O-])ccn2)ccc1[N+](=O)[O-] ZINC001605216901 972963970 /nfs/dbraw/zinc/96/39/70/972963970.db2.gz UBBVVWZERXPWQL-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC001603405710 973063177 /nfs/dbraw/zinc/06/31/77/973063177.db2.gz XFGGXIAMWZHQIM-AQNFWKISSA-N -1 0 332.356 2.410 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001605710096 974142268 /nfs/dbraw/zinc/14/22/68/974142268.db2.gz ZMKDECGGXCFRJG-OAHLLOKOSA-N -1 0 332.287 2.219 20 5 EEBDRM CC(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])nn2)cc1[N+](=O)[O-] ZINC001591947173 976489442 /nfs/dbraw/zinc/48/94/42/976489442.db2.gz GPFHPWYSYYXWDD-UHFFFAOYSA-N -1 0 330.300 2.459 20 5 EEBDRM CC(C)n1ccnc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001592142994 976993722 /nfs/dbraw/zinc/99/37/22/976993722.db2.gz ZZDXIMKFAPDCGK-MRXNPFEDSA-N -1 0 346.343 2.102 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC001592282640 977586584 /nfs/dbraw/zinc/58/65/84/977586584.db2.gz MDGRUKMYFAQRPX-MRXNPFEDSA-N -1 0 338.335 2.426 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000828628295 978986305 /nfs/dbraw/zinc/98/63/05/978986305.db2.gz JKXZPICAURTDOK-AWEZNQCLSA-N -1 0 326.374 2.447 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCO[C@@H](C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000871868090 979976859 /nfs/dbraw/zinc/97/68/59/979976859.db2.gz XLXPSDSAHKEMGT-GFCCVEGCSA-N -1 0 348.277 2.380 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001595213910 980011305 /nfs/dbraw/zinc/01/13/05/980011305.db2.gz ZFRCFDIQTKDNEY-ZDUSSCGKSA-N -1 0 334.372 2.487 20 5 EEBDRM C[C@@](NC(=O)[C@@H]1CCCCS1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593006624 980221413 /nfs/dbraw/zinc/22/14/13/980221413.db2.gz AEYYVGZIEJOGSC-WFASDCNBSA-N -1 0 338.385 2.297 20 5 EEBDRM C[C@](NC(=O)CCCC(=O)C1CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593015135 980260201 /nfs/dbraw/zinc/26/02/01/980260201.db2.gz GDBNPQLBYAABGO-QGZVFWFLSA-N -1 0 348.355 2.160 20 5 EEBDRM CC[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC001595487593 981232885 /nfs/dbraw/zinc/23/28/85/981232885.db2.gz KOSBTGVHPCVAKB-GSZVBELPSA-N -1 0 340.401 2.024 20 5 EEBDRM CCCC[C@@H](C(=O)[O-])S(=O)(=O)Cc1cc([N+](=O)[O-])ccc1OC ZINC001595629806 981807438 /nfs/dbraw/zinc/80/74/38/981807438.db2.gz OSMZXUZQXRHWKP-ZDUSSCGKSA-N -1 0 345.373 2.162 20 5 EEBDRM CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)[O-] ZINC001595636847 981922602 /nfs/dbraw/zinc/92/26/02/981922602.db2.gz VKDVOYVWAKROIR-NSHDSACASA-N -1 0 341.339 2.173 20 5 EEBDRM C[C@]12CSC[C@H]1CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC001599939691 985439580 /nfs/dbraw/zinc/43/95/80/985439580.db2.gz UWUGQRLTNSCVQC-ABAIWWIYSA-N -1 0 336.369 2.118 20 5 EEBDRM Cc1[nH]nc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1[N+](=O)[O-] ZINC001599967626 985936343 /nfs/dbraw/zinc/93/63/43/985936343.db2.gz VRZFXJYUUJMAPC-UHFFFAOYSA-N -1 0 348.315 2.364 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)COc1ccc([N+](=O)[O-])cc1Br ZINC001589588603 987384334 /nfs/dbraw/zinc/38/43/34/987384334.db2.gz BNMHGAHAOWTJDY-UHFFFAOYSA-N -1 0 346.133 2.416 20 5 EEBDRM CCc1[nH]ccc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597398345 987651041 /nfs/dbraw/zinc/65/10/41/987651041.db2.gz IBUFWLZMUOVXOM-INIZCTEOSA-N -1 0 331.328 2.215 20 5 EEBDRM CC(C)(C)[S@@](C)(=O)=NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001590425629 989973570 /nfs/dbraw/zinc/97/35/70/989973570.db2.gz GDSGKORFBLEXQT-JOCHJYFZSA-N -1 0 328.346 2.330 20 5 EEBDRM CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598068241 990363583 /nfs/dbraw/zinc/36/35/83/990363583.db2.gz MGXCKZSDDBFREP-ZOFUNIGCSA-N -1 0 347.154 2.243 20 5 EEBDRM CC(C)CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001591218425 992079885 /nfs/dbraw/zinc/07/98/85/992079885.db2.gz YNEVJHGZPLGTJX-JTQLQIEISA-N -1 0 344.389 2.396 20 5 EEBDRM COc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001599595033 993738456 /nfs/dbraw/zinc/73/84/56/993738456.db2.gz QWYMCVBBPCQNGE-GXSJLCMTSA-N -1 0 337.332 2.178 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(C)(C)c1nocc1C(=O)[O-] ZINC001599622504 994103643 /nfs/dbraw/zinc/10/36/43/994103643.db2.gz PZDJJPXTPRTWRS-UHFFFAOYSA-N -1 0 335.316 2.315 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001598681052 994929777 /nfs/dbraw/zinc/92/97/77/994929777.db2.gz ZSWLYIZICSJXBX-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)[C@H]1CN(C)CCO1 ZINC001593365701 995042398 /nfs/dbraw/zinc/04/23/98/995042398.db2.gz GUTHLHJUYJLMAN-LDYMZIIASA-N -1 0 343.767 2.077 20 5 EEBDRM C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)C(C)(C)C(=O)[O-] ZINC001593564562 995656775 /nfs/dbraw/zinc/65/67/75/995656775.db2.gz IHWMZCGMTMMJIV-MRVPVSSYSA-N -1 0 348.311 2.301 20 5 EEBDRM C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)C(C)(C)C(=O)[O-] ZINC001593578918 995691248 /nfs/dbraw/zinc/69/12/48/995691248.db2.gz NZZBVFUBKLWUDR-SSDOTTSWSA-N -1 0 343.719 2.473 20 5 EEBDRM C[C@@]1(C(F)(F)F)CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC001593815609 996550835 /nfs/dbraw/zinc/55/08/35/996550835.db2.gz CPPMTKGPUDCVHN-ZDUSSCGKSA-N -1 0 348.277 2.380 20 5 EEBDRM COC[C@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001599207122 997429315 /nfs/dbraw/zinc/42/93/15/997429315.db2.gz IWRFJXIKBXXHGI-DTWKUNHWSA-N -1 0 344.751 2.187 20 5 EEBDRM COCC[C@@H](C)CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599210596 997493403 /nfs/dbraw/zinc/49/34/03/997493403.db2.gz QUJXAXGSYATVAV-SECBINFHSA-N -1 0 339.348 2.396 20 5 EEBDRM COc1cc(NCCSCCC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC001599444203 997980367 /nfs/dbraw/zinc/98/03/67/997980367.db2.gz MPFNWCSCJFMOQO-UHFFFAOYSA-N -1 0 330.362 2.232 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC001599462133 998291976 /nfs/dbraw/zinc/29/19/76/998291976.db2.gz KGCOQXREZZPUMZ-OAHLLOKOSA-N -1 0 345.307 2.456 20 5 EEBDRM COc1cc([N+](=O)[O-])cnc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001599462615 998301159 /nfs/dbraw/zinc/30/11/59/998301159.db2.gz CCJNEXIXIDMJJW-UHFFFAOYSA-N -1 0 345.311 2.268 20 5 EEBDRM C[C@H]1C(=O)CC[C@@H]1CC(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594125799 998302626 /nfs/dbraw/zinc/30/26/26/998302626.db2.gz MMJHMRZTOVZNLO-NXEZZACHSA-N -1 0 335.312 2.342 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000262669705 304039529 /nfs/dbraw/zinc/03/95/29/304039529.db2.gz QKSVIDHARLYATP-UHFFFAOYSA-N -1 0 331.328 2.449 20 5 EEBDRM O=C([O-])C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000093433505 304042270 /nfs/dbraw/zinc/04/22/70/304042270.db2.gz XZQPFTWGKSVZIP-UHFFFAOYSA-N -1 0 330.138 2.053 20 5 EEBDRM CN(Cc1cccs1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000035122308 213009428 /nfs/dbraw/zinc/00/94/28/213009428.db2.gz STWMMJVYCHOTSW-UHFFFAOYSA-N -1 0 328.371 2.183 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCCC[C@H]1c1ncon1 ZINC000189609392 237070247 /nfs/dbraw/zinc/07/02/47/237070247.db2.gz YMBWBUSKJDBVQC-LBPRGKRZSA-N -1 0 332.316 2.441 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000262231269 244874889 /nfs/dbraw/zinc/87/48/89/244874889.db2.gz VJMKEBACJSQEPZ-JTQLQIEISA-N -1 0 333.344 2.330 20 5 EEBDRM C[C@]1(NC(=O)CNc2ccccc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC000262807869 245189735 /nfs/dbraw/zinc/18/97/35/245189735.db2.gz OTQNSNCDTMPDCY-BZNIZROVSA-N -1 0 335.360 2.156 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000262984714 245284352 /nfs/dbraw/zinc/28/43/52/245284352.db2.gz MZAIDANZJUBDKM-GIPNMCIBSA-N -1 0 338.385 2.255 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000163975811 255809637 /nfs/dbraw/zinc/80/96/37/255809637.db2.gz MVFVUKWWLXDIGY-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM CN(CC(=O)NCCCCCCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000268932812 255498524 /nfs/dbraw/zinc/49/85/24/255498524.db2.gz KZSBFOKQXHCBLX-UHFFFAOYSA-N -1 0 337.376 2.182 20 5 EEBDRM CC(C)(NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262828794 256016904 /nfs/dbraw/zinc/01/69/04/256016904.db2.gz XDCRJNGJMYLABQ-UHFFFAOYSA-N -1 0 332.765 2.320 20 5 EEBDRM C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000270436787 256135592 /nfs/dbraw/zinc/13/55/92/256135592.db2.gz XYNWTDRCPBSWCJ-QMMMGPOBSA-N -1 0 325.321 2.152 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCCCC(=O)[O-] ZINC000270411799 256132604 /nfs/dbraw/zinc/13/26/04/256132604.db2.gz CJAYNJBXWNCPME-UHFFFAOYSA-N -1 0 344.389 2.135 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H](OCc2ccccn2)C1 ZINC000273234622 256278453 /nfs/dbraw/zinc/27/84/53/256278453.db2.gz PEKHXMNJQDZDSK-CQSZACIVSA-N -1 0 343.339 2.127 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCCC[C@H]1c1ncon1 ZINC000276182015 256408909 /nfs/dbraw/zinc/40/89/09/256408909.db2.gz GZXHBNRZEATJNQ-ZDUSSCGKSA-N -1 0 332.316 2.441 20 5 EEBDRM O=C(Nc1ccn(CC(F)(F)F)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119302994 292244076 /nfs/dbraw/zinc/24/40/76/292244076.db2.gz JNTYDYFEJMIRFR-UHFFFAOYSA-N -1 0 330.222 2.312 20 5 EEBDRM O=C(c1c([O-])cccc1F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000119848256 292248928 /nfs/dbraw/zinc/24/89/28/292248928.db2.gz IOTJIZPPEXKHLA-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000116453999 152051133 /nfs/dbraw/zinc/05/11/33/152051133.db2.gz OZOCAPVQXJNFEW-WCQYABFASA-N -1 0 349.387 2.114 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000262838250 152325409 /nfs/dbraw/zinc/32/54/09/152325409.db2.gz CUINGLHTMWRZJV-GXFFZTMASA-N -1 0 347.371 2.352 20 5 EEBDRM O=C(Nc1cc(-c2cccnc2)[nH]n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000132446965 292400968 /nfs/dbraw/zinc/40/09/68/292400968.db2.gz DCJUSXKXPPOCQJ-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM Cc1sc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc1[N+](=O)[O-] ZINC000119302973 159377115 /nfs/dbraw/zinc/37/71/15/159377115.db2.gz UGTSOEWXVXHVQP-UHFFFAOYSA-N -1 0 339.358 2.037 20 5 EEBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000237625852 160223470 /nfs/dbraw/zinc/22/34/70/160223470.db2.gz SCEWKAVHGIQESL-BONVTDFDSA-N -1 0 343.339 2.369 20 5 EEBDRM O=C(Nc1ccc(Cn2ccnc2)cn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000343379886 161130035 /nfs/dbraw/zinc/13/00/35/161130035.db2.gz XEXHAEYECHOUOE-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C([O-])COc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000345807371 161333661 /nfs/dbraw/zinc/33/36/61/161333661.db2.gz OTUALWYDOGAETK-UHFFFAOYSA-N -1 0 342.307 2.261 20 5 EEBDRM COC(=O)c1ccc(F)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000355466955 163200559 /nfs/dbraw/zinc/20/05/59/163200559.db2.gz FDXRKRLMTWBBCJ-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000376604333 167359141 /nfs/dbraw/zinc/35/91/41/167359141.db2.gz OGOWKVQUFUYIAY-NNTXTVRGSA-N -1 0 330.340 2.321 20 5 EEBDRM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000275296607 274236910 /nfs/dbraw/zinc/23/69/10/274236910.db2.gz MTWZFRNKIKTLEV-ZDUSSCGKSA-N -1 0 344.389 2.023 20 5 EEBDRM CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H](C(F)(F)F)O1 ZINC000293749977 293285769 /nfs/dbraw/zinc/28/57/69/293285769.db2.gz PALKUPDXIDIHQL-JTQLQIEISA-N -1 0 348.277 2.482 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000296734913 294053591 /nfs/dbraw/zinc/05/35/91/294053591.db2.gz OHGPOGKYYJWCRL-UHFFFAOYSA-N -1 0 349.368 2.288 20 5 EEBDRM Cc1n[nH]cc1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000375938338 302535302 /nfs/dbraw/zinc/53/53/02/302535302.db2.gz QGVVMYUCCCXRKI-UHFFFAOYSA-N -1 0 330.344 2.352 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000412325332 312648007 /nfs/dbraw/zinc/64/80/07/312648007.db2.gz VDFWFUFNYUYTRD-KPXOXKRLSA-N -1 0 348.384 2.318 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)nn1C(C)C ZINC000421178675 314060920 /nfs/dbraw/zinc/06/09/20/314060920.db2.gz YAFVCFDDPVLBDU-UHFFFAOYSA-N -1 0 340.361 2.187 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000432114895 314679867 /nfs/dbraw/zinc/67/98/67/314679867.db2.gz DXIGNKHZWCZWPY-UHFFFAOYSA-N -1 0 340.335 2.420 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1OC ZINC000436860460 315007136 /nfs/dbraw/zinc/00/71/36/315007136.db2.gz GREQOIZEIJDZMT-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM O=C(Nc1cccc(-c2c[nH]nn2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436882148 315008769 /nfs/dbraw/zinc/00/87/69/315008769.db2.gz QVZPPIXFICYTTM-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM Cc1ccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])cn2c1 ZINC000436968121 315018107 /nfs/dbraw/zinc/01/81/07/315018107.db2.gz SKEVRCDGLAVESA-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM COc1ccc([C@H](CCO)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436969798 315018151 /nfs/dbraw/zinc/01/81/51/315018151.db2.gz ALWALKIYLGIXBM-AWEZNQCLSA-N -1 0 346.339 2.163 20 5 EEBDRM C[C@@](CO)(CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])Cc1ccccc1 ZINC000436994125 315021261 /nfs/dbraw/zinc/02/12/61/315021261.db2.gz AZDIXOUQIZHVML-SFHVURJKSA-N -1 0 344.367 2.272 20 5 EEBDRM CCCOc1ncccc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000443985803 315268030 /nfs/dbraw/zinc/26/80/30/315268030.db2.gz ZNLRBLVAMFXJED-UHFFFAOYSA-N -1 0 331.328 2.414 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493287894 315926388 /nfs/dbraw/zinc/92/63/88/315926388.db2.gz MXPMZGNTAYBCKS-YTUWVPGFSA-N -1 0 348.330 2.459 20 5 EEBDRM O=C([O-])c1cccc(S(=O)(=O)NC2CCCCCC2)c1[N+](=O)[O-] ZINC000519714435 316815430 /nfs/dbraw/zinc/81/54/30/316815430.db2.gz XKYOUVBQSODBIQ-UHFFFAOYSA-N -1 0 342.373 2.294 20 5 EEBDRM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000547910679 318333541 /nfs/dbraw/zinc/33/35/41/318333541.db2.gz RIJPVUOQSXBWGF-LBPRGKRZSA-N -1 0 344.389 2.023 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000548226581 318366583 /nfs/dbraw/zinc/36/65/83/318366583.db2.gz SVFKPVMJJFGUBU-NSHDSACASA-N -1 0 344.389 2.215 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000548240574 318367525 /nfs/dbraw/zinc/36/75/25/318367525.db2.gz DVGNAXDVSBIVJO-VIFPVBQESA-N -1 0 330.362 2.471 20 5 EEBDRM CC(=O)Nc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000548514761 318393599 /nfs/dbraw/zinc/39/35/99/318393599.db2.gz BDKMKFKIAMQAKD-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000563135511 318976297 /nfs/dbraw/zinc/97/62/97/318976297.db2.gz MPXHXGDCQJXSAX-GFCCVEGCSA-N -1 0 345.421 2.439 20 5 EEBDRM Cn1cc([C@H]2N(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000563891301 319053116 /nfs/dbraw/zinc/05/31/16/319053116.db2.gz DDBYFUJQLGDRLD-CQSZACIVSA-N -1 0 330.344 2.257 20 5 EEBDRM Cn1ccnc1[C@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000565483826 319187015 /nfs/dbraw/zinc/18/70/15/319187015.db2.gz PSLLPUIGLZSNRY-SMDDNHRTSA-N -1 0 346.343 2.359 20 5 EEBDRM COc1cccc2c1C[C@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000565837075 319219403 /nfs/dbraw/zinc/21/94/03/319219403.db2.gz XSJGQEUPBHNGFO-SNVBAGLBSA-N -1 0 329.312 2.276 20 5 EEBDRM CCCOc1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cn1 ZINC000565894969 319224714 /nfs/dbraw/zinc/22/47/14/319224714.db2.gz NQFYQOVUOOIDDJ-UHFFFAOYSA-N -1 0 332.316 2.484 20 5 EEBDRM C[C@]1(c2ccccc2)CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000566291176 319270029 /nfs/dbraw/zinc/27/00/29/319270029.db2.gz NAAWSRLQRLXJTL-QGZVFWFLSA-N -1 0 343.339 2.440 20 5 EEBDRM Cc1ccnc(N2CCC(n3cc(C(=O)[O-])cn3)CC2)c1[N+](=O)[O-] ZINC000566297200 319271539 /nfs/dbraw/zinc/27/15/39/319271539.db2.gz KIFVUABHOLPHCZ-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC000566739801 319316757 /nfs/dbraw/zinc/31/67/57/319316757.db2.gz BLQBKZWDFXLELC-SECBINFHSA-N -1 0 347.293 2.066 20 5 EEBDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000572163970 319821914 /nfs/dbraw/zinc/82/19/14/319821914.db2.gz IMJBDNAHQXHJFW-GFCCVEGCSA-N -1 0 342.355 2.403 20 5 EEBDRM O=C([O-])c1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000572772498 319875801 /nfs/dbraw/zinc/87/58/01/319875801.db2.gz AETHMEWLFWRQTE-UHFFFAOYSA-N -1 0 331.328 2.208 20 5 EEBDRM O=C([O-])c1cc(NC[C@H]2CCCN2c2cccnn2)ccc1[N+](=O)[O-] ZINC000577399368 320253941 /nfs/dbraw/zinc/25/39/41/320253941.db2.gz JMKCMPLFFDMKDG-GFCCVEGCSA-N -1 0 343.343 2.164 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc2c1CCCC2 ZINC000577952388 320285780 /nfs/dbraw/zinc/28/57/80/320285780.db2.gz HPSHODSUDVCBJU-UHFFFAOYSA-N -1 0 348.384 2.373 20 5 EEBDRM CCO[C@H]1C[C@](O)(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000581074222 324181594 /nfs/dbraw/zinc/18/15/94/324181594.db2.gz KZOWBGWHDCFGJG-BBRMVZONSA-N -1 0 338.360 2.271 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](O)Cc2cccc(F)c2)n1 ZINC000514605821 448171518 /nfs/dbraw/zinc/17/15/18/448171518.db2.gz QTLZSNNDYDVQLA-LBPRGKRZSA-N -1 0 349.318 2.151 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000350971120 465047614 /nfs/dbraw/zinc/04/76/14/465047614.db2.gz LIIWMJJMNAEHNU-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC000336868516 465060823 /nfs/dbraw/zinc/06/08/23/465060823.db2.gz UXXGYOGJYWYJOM-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(F)cc1F ZINC000336876302 465068966 /nfs/dbraw/zinc/06/89/66/465068966.db2.gz QYZDYBHBWUQAFI-UHFFFAOYSA-N -1 0 346.286 2.491 20 5 EEBDRM Cn1ccnc1[C@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1(C)C ZINC000296383151 465176498 /nfs/dbraw/zinc/17/64/98/465176498.db2.gz VRTVYDDNHNSGHJ-CYBMUJFWSA-N -1 0 330.344 2.257 20 5 EEBDRM CC(C)[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000578887614 468275608 /nfs/dbraw/zinc/27/56/08/468275608.db2.gz SZWAYYPGRQEOIX-LBPRGKRZSA-N -1 0 342.373 2.102 20 5 EEBDRM CC(C)(C(N)=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000153244503 462629664 /nfs/dbraw/zinc/62/96/64/462629664.db2.gz ISGSMBISTKILOD-UHFFFAOYSA-N -1 0 343.339 2.316 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(CC(F)F)c1 ZINC000116710413 462769986 /nfs/dbraw/zinc/76/99/86/462769986.db2.gz MVLWOSAYLGXZAH-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000047521243 462794190 /nfs/dbraw/zinc/79/41/90/462794190.db2.gz ITZDDOGTLSKRQX-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000156496192 463032132 /nfs/dbraw/zinc/03/21/32/463032132.db2.gz RVZPDAKLWBBHHI-UHFFFAOYSA-N -1 0 338.389 2.254 20 5 EEBDRM O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000135860324 463203439 /nfs/dbraw/zinc/20/34/39/463203439.db2.gz HCGHPCKELFTUNH-UHFFFAOYSA-N -1 0 343.343 2.034 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cn1 ZINC000069675477 463301189 /nfs/dbraw/zinc/30/11/89/463301189.db2.gz RHKDQKYLYQQGRT-UHFFFAOYSA-N -1 0 325.321 2.492 20 5 EEBDRM Cn1cnc2cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cnc21 ZINC000161097634 463399696 /nfs/dbraw/zinc/39/96/96/463399696.db2.gz VNSBMHSFFYMPFG-UHFFFAOYSA-N -1 0 347.718 2.488 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1N1CCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC000568637027 468367127 /nfs/dbraw/zinc/36/71/27/468367127.db2.gz GTQYUFAUNJABPB-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)[N-]c2nnc(C(F)F)s2)c1[N+](=O)[O-] ZINC000269325332 463953698 /nfs/dbraw/zinc/95/36/98/463953698.db2.gz CTYONHUGPLVPBV-UHFFFAOYSA-N -1 0 332.292 2.483 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263364232 464092558 /nfs/dbraw/zinc/09/25/58/464092558.db2.gz SSMQYCZUJNRBQI-MNOVXSKESA-N -1 0 336.344 2.176 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000263436761 464105337 /nfs/dbraw/zinc/10/53/37/464105337.db2.gz LQOWTAKOJHHSCF-INIZCTEOSA-N -1 0 331.328 2.015 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000263542552 464126618 /nfs/dbraw/zinc/12/66/18/464126618.db2.gz RPRIJIXVTBCBRS-ZYHUDNBSSA-N -1 0 336.344 2.176 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000263567991 464131880 /nfs/dbraw/zinc/13/18/80/464131880.db2.gz GWGBGBZTXGMSFA-LBPRGKRZSA-N -1 0 341.751 2.126 20 5 EEBDRM Cc1ccc2c(c1)nc(CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])n2C ZINC000187568436 464140986 /nfs/dbraw/zinc/14/09/86/464140986.db2.gz CVPKMIOPYNKFMT-UHFFFAOYSA-N -1 0 340.339 2.426 20 5 EEBDRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cn2n1 ZINC000241587857 464453876 /nfs/dbraw/zinc/45/38/76/464453876.db2.gz OXQSLUGQBFFWHY-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1cnn([C@H]2CCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)c1 ZINC000272575177 464665242 /nfs/dbraw/zinc/66/52/42/464665242.db2.gz SNXIHZDXJWLGLR-ZDUSSCGKSA-N -1 0 330.344 2.283 20 5 EEBDRM O=C(NCc1nc2cc(F)ccc2[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000176129489 464704292 /nfs/dbraw/zinc/70/42/92/464704292.db2.gz ZLLOURDWJMLYEN-UHFFFAOYSA-N -1 0 330.275 2.246 20 5 EEBDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000176716048 464832047 /nfs/dbraw/zinc/83/20/47/464832047.db2.gz QPPHQGIQPLAMPO-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CN(CC(=O)Nc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184648919 465013794 /nfs/dbraw/zinc/01/37/94/465013794.db2.gz HNSCPTRSIWYBJY-UHFFFAOYSA-N -1 0 329.312 2.011 20 5 EEBDRM CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000255044122 465023406 /nfs/dbraw/zinc/02/34/06/465023406.db2.gz JVQLRLQZCQIJLB-HJWRWDBZSA-N -1 0 326.374 2.143 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N=c2nc(-c3cccnc3)[n-]s2)c1 ZINC000339595936 465372574 /nfs/dbraw/zinc/37/25/74/465372574.db2.gz JTYIIQYKEJMTHN-UHFFFAOYSA-N -1 0 341.352 2.491 20 5 EEBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000337784230 465579707 /nfs/dbraw/zinc/57/97/07/465579707.db2.gz WBQHBRJIUWPEOL-UHFFFAOYSA-N -1 0 337.357 2.245 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1noc(C)c1C ZINC000451044811 467234304 /nfs/dbraw/zinc/23/43/04/467234304.db2.gz BYLAEXDXNMQNGB-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493672222 467961445 /nfs/dbraw/zinc/96/14/45/467961445.db2.gz GCGBYWAKKZETNY-VSEZHWFZSA-N -1 0 336.319 2.316 20 5 EEBDRM COc1ccccc1OCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000531769436 468073874 /nfs/dbraw/zinc/07/38/74/468073874.db2.gz KGIXANDHRGFUAH-UHFFFAOYSA-N -1 0 332.312 2.118 20 5 EEBDRM Cc1cc(N2CCC(F)(F)[C@H](CO)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000517573105 468089835 /nfs/dbraw/zinc/08/98/35/468089835.db2.gz WNIUENXUGXRAET-VIFPVBQESA-N -1 0 330.287 2.055 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCOc2ccccc2C)n1 ZINC000565718062 468136511 /nfs/dbraw/zinc/13/65/11/468136511.db2.gz FSVNMDQKGPILAC-UHFFFAOYSA-N -1 0 331.328 2.796 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000533203078 468181056 /nfs/dbraw/zinc/18/10/56/468181056.db2.gz JUFDMPSAWNVJON-GFCCVEGCSA-N -1 0 335.360 2.028 20 5 EEBDRM CN(C(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-])C1CCCC1 ZINC000519646433 468189179 /nfs/dbraw/zinc/18/91/79/468189179.db2.gz HEWVHRXALHVHLQ-ZDUSSCGKSA-N -1 0 335.360 2.175 20 5 EEBDRM Cc1cc(N2CC[C@H](Cc3cnn(C)c3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567978478 468248196 /nfs/dbraw/zinc/24/81/96/468248196.db2.gz GTUXAXXVTZBUBJ-GFCCVEGCSA-N -1 0 344.371 2.404 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000567985464 468250488 /nfs/dbraw/zinc/25/04/88/468250488.db2.gz YTNRZNIFEJADET-UHFFFAOYSA-N -1 0 331.328 2.660 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CCF)c1 ZINC000600661532 468612312 /nfs/dbraw/zinc/61/23/12/468612312.db2.gz VPUNHOBNRHKAQN-UHFFFAOYSA-N -1 0 342.352 2.124 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cnn(CCF)c1 ZINC000600658894 468612464 /nfs/dbraw/zinc/61/24/64/468612464.db2.gz BLKVPRATPXAIDY-UHFFFAOYSA-N -1 0 342.352 2.178 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000600883211 468675249 /nfs/dbraw/zinc/67/52/49/468675249.db2.gz XZZPDZMOHZWMBD-SCRDCRAPSA-N -1 0 347.371 2.109 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000592467537 468704438 /nfs/dbraw/zinc/70/44/38/468704438.db2.gz ZLIRSLADYWPLGT-UHFFFAOYSA-N -1 0 332.316 2.053 20 5 EEBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000583696315 468742743 /nfs/dbraw/zinc/74/27/43/468742743.db2.gz NXVVUCYYMSOOII-CYBMUJFWSA-N -1 0 345.277 2.406 20 5 EEBDRM COc1ccc(CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000560103496 468766337 /nfs/dbraw/zinc/76/63/37/468766337.db2.gz DEFYZPYVMSIRIF-INIZCTEOSA-N -1 0 338.360 2.152 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOC[C@@H](C3CCC3)C2)cc([N+](=O)[O-])c1 ZINC000592953142 468827150 /nfs/dbraw/zinc/82/71/50/468827150.db2.gz IEXOUCJJGIFHEB-AWEZNQCLSA-N -1 0 348.355 2.182 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCCNc2ccccc2)n1 ZINC000592970873 468831386 /nfs/dbraw/zinc/83/13/86/468831386.db2.gz KCJOJYRZQQAPKX-UHFFFAOYSA-N -1 0 330.344 2.911 20 5 EEBDRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592983200 468833789 /nfs/dbraw/zinc/83/37/89/468833789.db2.gz UUYINDMHMGAHQH-KGLIPLIRSA-N -1 0 332.356 2.443 20 5 EEBDRM CCOc1cc(N2CCSC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000584294176 468839296 /nfs/dbraw/zinc/83/92/96/468839296.db2.gz HDUJRHVQHLEBLD-JTQLQIEISA-N -1 0 326.374 2.248 20 5 EEBDRM CNC(=O)CC1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000598385960 468849294 /nfs/dbraw/zinc/84/92/94/468849294.db2.gz NWWIQNHJEKFPJI-UHFFFAOYSA-N -1 0 349.387 2.117 20 5 EEBDRM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598481768 468882584 /nfs/dbraw/zinc/88/25/84/468882584.db2.gz IEMANBFCGUGJTQ-CJNGLKHVSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C(NC[C@@H]1CCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598508314 468892772 /nfs/dbraw/zinc/89/27/72/468892772.db2.gz GGEDRTOVJQHDQY-HNNXBMFYSA-N -1 0 341.367 2.305 20 5 EEBDRM O=C([O-])CC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000584535248 468895007 /nfs/dbraw/zinc/89/50/07/468895007.db2.gz YKGABKSUMNTSBO-UHFFFAOYSA-N -1 0 346.343 2.332 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[n-]1 ZINC000585681745 469013256 /nfs/dbraw/zinc/01/32/56/469013256.db2.gz KHQYUHZLIQCWJB-UHFFFAOYSA-N -1 0 338.707 2.400 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H](C(F)(F)F)O1 ZINC000610882390 469102285 /nfs/dbraw/zinc/10/22/85/469102285.db2.gz WTTMVJZJGZTKFM-XCBNKYQSSA-N -1 0 334.250 2.092 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000563213953 469201753 /nfs/dbraw/zinc/20/17/53/469201753.db2.gz JKMCXKGZMLGQDN-MRXNPFEDSA-N -1 0 336.344 2.115 20 5 EEBDRM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000611292116 469221642 /nfs/dbraw/zinc/22/16/42/469221642.db2.gz TVUARHCJURSWAE-SNVBAGLBSA-N -1 0 339.348 2.477 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000574043756 469252166 /nfs/dbraw/zinc/25/21/66/469252166.db2.gz RTYIUWVLODJCDL-VHSXEESVSA-N -1 0 348.277 2.290 20 5 EEBDRM CCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000603779976 469428446 /nfs/dbraw/zinc/42/84/46/469428446.db2.gz JKZNBNHPFVOHPH-UHFFFAOYSA-N -1 0 349.368 2.145 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000619506916 469628706 /nfs/dbraw/zinc/62/87/06/469628706.db2.gz HFQPJPYAFDEDOS-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598584747 485618791 /nfs/dbraw/zinc/61/87/91/485618791.db2.gz UMKRLCCMFNNDHY-JTQLQIEISA-N -1 0 344.389 2.085 20 5 EEBDRM COC[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000737748045 576037436 /nfs/dbraw/zinc/03/74/36/576037436.db2.gz QGBSLQXPVIGGRX-OAHLLOKOSA-N -1 0 344.323 2.411 20 5 EEBDRM C[C@@H](SCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000739053387 576071219 /nfs/dbraw/zinc/07/12/19/576071219.db2.gz CWHKLGOGGFAMJJ-MRVPVSSYSA-N -1 0 326.330 2.099 20 5 EEBDRM Cc1cccc(CCCOCCOC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000733705262 577254373 /nfs/dbraw/zinc/25/43/73/577254373.db2.gz YXUXVFFDAOXYJW-UHFFFAOYSA-N -1 0 333.344 2.433 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000763926597 577728068 /nfs/dbraw/zinc/72/80/68/577728068.db2.gz DQUHWJWVCLGQAG-NSHDSACASA-N -1 0 334.353 2.203 20 5 EEBDRM O=C(Nc1cnn(-c2ccccc2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755712968 577829690 /nfs/dbraw/zinc/82/96/90/577829690.db2.gz RWZJVMPUAIUGBO-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1cc(CS(=O)(=O)NCc2cc([N+](=O)[O-])ccc2Cl)on1 ZINC000757349109 577859244 /nfs/dbraw/zinc/85/92/44/577859244.db2.gz RNDUFSFESQNRFS-UHFFFAOYSA-N -1 0 345.764 2.164 20 5 EEBDRM O=C(Nc1ccn(Cc2ccccn2)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748848832 577968183 /nfs/dbraw/zinc/96/81/83/577968183.db2.gz KSOGHLOOHKUBMG-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000739037354 578035995 /nfs/dbraw/zinc/03/59/95/578035995.db2.gz RFKBXRWXQIPDFB-UHFFFAOYSA-N -1 0 335.291 2.194 20 5 EEBDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000739217313 578044296 /nfs/dbraw/zinc/04/42/96/578044296.db2.gz YSKTYAAIIFBOEA-UTCJRWHESA-N -1 0 345.263 2.325 20 5 EEBDRM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)[N-]OCc1ccccc1 ZINC000735846531 578169903 /nfs/dbraw/zinc/16/99/03/578169903.db2.gz IKHCIQWYUZGCKJ-ZDUSSCGKSA-N -1 0 347.375 2.075 20 5 EEBDRM CC(C)N1C[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000736474866 578206687 /nfs/dbraw/zinc/20/66/87/578206687.db2.gz PBFCNRUFNVSHIQ-RNZFLTOJSA-N -1 0 333.344 2.114 20 5 EEBDRM CC1(C)CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000736732346 578220721 /nfs/dbraw/zinc/22/07/21/578220721.db2.gz GAZXSJKMWLSDIC-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000156194155 599864704 /nfs/dbraw/zinc/86/47/04/599864704.db2.gz MSXAHWOLGQJCJH-CYBMUJFWSA-N -1 0 332.287 2.160 20 5 EEBDRM CC(C)[C@@](C)(O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826676053 600802365 /nfs/dbraw/zinc/80/23/65/600802365.db2.gz AODXFAXPRLHUFW-ZDUSSCGKSA-N -1 0 327.293 2.020 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@H](C(=O)[O-])C1 ZINC000829878120 600824732 /nfs/dbraw/zinc/82/47/32/600824732.db2.gz IXRZVRSWZQJEBA-VIFPVBQESA-N -1 0 340.307 2.212 20 5 EEBDRM Cn1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000833045019 601313928 /nfs/dbraw/zinc/31/39/28/601313928.db2.gz IAYSSIBETRVTNS-UHFFFAOYSA-N -1 0 346.343 2.462 20 5 EEBDRM CCCCC[C@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000829341358 601404422 /nfs/dbraw/zinc/40/44/22/601404422.db2.gz XZPVHVXEFNTHJY-NSHDSACASA-N -1 0 344.389 2.215 20 5 EEBDRM C/C(=C\COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC000825775710 601410890 /nfs/dbraw/zinc/41/08/90/601410890.db2.gz YZQJFURNKBSYEE-IZZDOVSWSA-N -1 0 334.328 2.383 20 5 EEBDRM Cn1cnc2c1CCN(c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000833058044 604266199 /nfs/dbraw/zinc/26/61/99/604266199.db2.gz QVWNPMMZWACCSI-UHFFFAOYSA-N -1 0 336.735 2.243 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000826976422 604471429 /nfs/dbraw/zinc/47/14/29/604471429.db2.gz XAUZYGKCAKUFOK-GFCCVEGCSA-N -1 0 335.360 2.177 20 5 EEBDRM CC(C)CSCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833491367 604586499 /nfs/dbraw/zinc/58/64/99/604586499.db2.gz HSDBCTYMPJCSHI-UHFFFAOYSA-N -1 0 326.374 2.412 20 5 EEBDRM O=C([O-])c1ccccc1NC(=O)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000833114058 604807202 /nfs/dbraw/zinc/80/72/02/604807202.db2.gz HDSKSGHXERNACT-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)Nc2ccccc2CC(=O)[O-])c1[N+](=O)[O-] ZINC000817982781 604929919 /nfs/dbraw/zinc/92/99/19/604929919.db2.gz SDPIOGRVLUWWGT-UHFFFAOYSA-N -1 0 332.316 2.321 20 5 EEBDRM CC(C)(NC(=O)c1cncc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000833460760 605115281 /nfs/dbraw/zinc/11/52/81/605115281.db2.gz IUSUJLKWTSZYEL-UHFFFAOYSA-N -1 0 329.312 2.353 20 5 EEBDRM C/C(=C\C(=O)N[C@@]1(C(=O)[O-])CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000833383587 605366531 /nfs/dbraw/zinc/36/65/31/605366531.db2.gz VBNHDNWNXPCEFM-HQPKTYMTSA-N -1 0 336.369 2.075 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nn[nH]n2)s1 ZINC000823387149 606389817 /nfs/dbraw/zinc/38/98/17/606389817.db2.gz DKCFVSULVUTYGO-HNQUOIGGSA-N -1 0 344.312 2.100 20 5 EEBDRM CC(C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)=C1CCCC1 ZINC000161988787 679345138 /nfs/dbraw/zinc/34/51/38/679345138.db2.gz BAUKLOAKJGUORW-UHFFFAOYSA-N -1 0 342.348 2.429 20 5 EEBDRM CCC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262318140 685329853 /nfs/dbraw/zinc/32/98/53/685329853.db2.gz VBKAJHYVQULWHG-WPRPVWTQSA-N -1 0 344.751 2.385 20 5 EEBDRM CN(CC(=O)[N-]OCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000180415872 682001976 /nfs/dbraw/zinc/00/19/76/682001976.db2.gz VOCQDAVAPRGIBW-UHFFFAOYSA-N -1 0 329.356 2.275 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000122299428 682925104 /nfs/dbraw/zinc/92/51/04/682925104.db2.gz HKJLMBNTMMTUJU-LLVKDONJSA-N -1 0 334.353 2.203 20 5 EEBDRM Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000018707258 683071609 /nfs/dbraw/zinc/07/16/09/683071609.db2.gz LKHVWBJVVFTHEU-UHFFFAOYSA-N -1 0 347.274 2.395 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000263367559 689734320 /nfs/dbraw/zinc/73/43/20/689734320.db2.gz UGZIHEKQRGFYGX-WPRPVWTQSA-N -1 0 326.736 2.431 20 5 EEBDRM CCC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000813058068 1201072610 /nfs/dbraw/zinc/07/26/10/1201072610.db2.gz GVFIPNGZWPEXEM-PSASIEDQSA-N -1 0 346.792 2.489 20 5 EEBDRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000131476768 1202045592 /nfs/dbraw/zinc/04/55/92/1202045592.db2.gz LSFRTXVEAUQNEK-UHFFFAOYSA-N -1 0 328.325 2.312 20 5 EEBDRM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000800625827 1234373939 /nfs/dbraw/zinc/37/39/39/1234373939.db2.gz CJOYGVDJGOQNBN-UHFFFAOYSA-N -1 0 339.323 2.361 20 5 EEBDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000815893099 1278290318 /nfs/dbraw/zinc/29/03/18/1278290318.db2.gz QKUKQRPQTXVATM-UHFFFAOYSA-N -1 0 326.374 2.226 20 5 EEBDRM CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850885261 1277380843 /nfs/dbraw/zinc/38/08/43/1277380843.db2.gz BSIOJRYMHSZACN-SECBINFHSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2N)cc1[N+](=O)[O-] ZINC001213670105 1296131203 /nfs/dbraw/zinc/13/12/03/1296131203.db2.gz IHMRPEXGWPXPRJ-UHFFFAOYSA-N -1 0 325.321 2.425 20 5 EEBDRM O=C([O-])C[C@H](O)C(=O)OCc1c2ccccc2nc2ccccc21 ZINC001223334107 1300087662 /nfs/dbraw/zinc/08/76/62/1300087662.db2.gz HIONCSYIAVMFNH-INIZCTEOSA-N -1 0 325.320 2.267 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](C)CCC=C(C)C)c1[N+](=O)[O-] ZINC001226650006 1301493790 /nfs/dbraw/zinc/49/37/90/1301493790.db2.gz MZCVWMHTEHTNSP-SECBINFHSA-N -1 0 325.321 2.391 20 5 EEBDRM CCN(CC)C(=O)[C@@H](Oc1nc[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228141216 1302123217 /nfs/dbraw/zinc/12/32/17/1302123217.db2.gz PHZLPNMXJSJPGE-ZDUSSCGKSA-N -1 0 346.343 2.079 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(O[C@H]4CCOC[C@H]4F)c3nc2cc1C ZINC001228683816 1302379534 /nfs/dbraw/zinc/37/95/34/1302379534.db2.gz DEXGNCVDKCRVEU-MFKMUULPSA-N -1 0 344.346 2.401 20 5 EEBDRM CCOC(=O)[C@H](C)Oc1[n-]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685301 1302379584 /nfs/dbraw/zinc/37/95/84/1302379584.db2.gz DNRMIOCVDRHZEY-JTQLQIEISA-N -1 0 342.355 2.226 20 5 EEBDRM C[C@@](O)(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000780678261 1303684959 /nfs/dbraw/zinc/68/49/59/1303684959.db2.gz MFECLRYWLSXRJR-MRXNPFEDSA-N -1 0 334.303 2.077 20 5 EEBDRM COc1cncc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000799184965 1305179595 /nfs/dbraw/zinc/17/95/95/1305179595.db2.gz RZLCOBJWWDBFLM-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM COC(=O)C12CCC(C(=O)OCc3cc([O-])ccc3[N+](=O)[O-])(CC1)C2 ZINC000837669155 1315101794 /nfs/dbraw/zinc/10/17/94/1315101794.db2.gz AOSPMFGAOSJWDD-UHFFFAOYSA-N -1 0 349.339 2.467 20 5 EEBDRM Cc1cc(=O)c(COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000842339491 1315687083 /nfs/dbraw/zinc/68/70/83/1315687083.db2.gz OQICVGXHFBLBDB-QWHCGFSZSA-N -1 0 329.312 2.246 20 5 EEBDRM CNC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3[O-])n(C)c2c1 ZINC001251009875 1317398026 /nfs/dbraw/zinc/39/80/26/1317398026.db2.gz WUIWHYPQSZLRBK-UHFFFAOYSA-N -1 0 326.312 2.214 20 5 EEBDRM Cc1ccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001607823349 1351565649 /nfs/dbraw/zinc/56/56/49/1351565649.db2.gz SGGCWHQYPLGKKD-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Nc1c(NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc(Cl)cc1[N+](=O)[O-] ZINC001608269888 1351659887 /nfs/dbraw/zinc/65/98/87/1351659887.db2.gz FDDJTWHTTNKXOS-QMMMGPOBSA-N -1 0 340.723 2.125 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001608696415 1351743879 /nfs/dbraw/zinc/74/38/79/1351743879.db2.gz YJFXGRRISWDBBJ-LBPRGKRZSA-N -1 0 344.327 2.064 20 5 EEBDRM CCCC1(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC001319280832 1332674541 /nfs/dbraw/zinc/67/45/41/1332674541.db2.gz WIIDELUVICWMOE-UHFFFAOYSA-N -1 0 326.374 2.370 20 5 EEBDRM C[C@@H]1CC[C@H](CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])O1 ZINC001609847952 1352100461 /nfs/dbraw/zinc/10/04/61/1352100461.db2.gz OYVPVLRVWJICQL-VXNVDRBHSA-N -1 0 325.277 2.181 20 5 EEBDRM C[C@@H]1CCCN1c1nc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H]2C)n1 ZINC001609853966 1352102799 /nfs/dbraw/zinc/10/27/99/1352102799.db2.gz ANWLBIQVJCRHHF-NXEZZACHSA-N -1 0 335.364 2.060 20 5 EEBDRM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(C)o1 ZINC001339495162 1337014909 /nfs/dbraw/zinc/01/49/09/1337014909.db2.gz AETQMEOROZEBNC-SECBINFHSA-N -1 0 325.346 2.239 20 5 EEBDRM CSc1nc(=O)n(Cc2ccc([N+](=O)[O-])cc2Br)[n-]1 ZINC001339651491 1337044263 /nfs/dbraw/zinc/04/42/63/1337044263.db2.gz CRSNKQXGUGRPDN-UHFFFAOYSA-N -1 0 345.178 2.012 20 5 EEBDRM CCNc1nnc(Sc2nc(C(=O)[O-])ccc2[N+](=O)[O-])s1 ZINC001610010274 1352140242 /nfs/dbraw/zinc/14/02/42/1352140242.db2.gz BVRJRGPBIWURDB-UHFFFAOYSA-N -1 0 327.347 2.123 20 5 EEBDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000847892900 1338367376 /nfs/dbraw/zinc/36/73/76/1338367376.db2.gz JYVYONBZFWNURI-SNVBAGLBSA-N -1 0 343.405 2.257 20 5 EEBDRM COc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2N)cc1[N+](=O)[O-] ZINC001610328397 1352206362 /nfs/dbraw/zinc/20/63/62/1352206362.db2.gz VGXUUUNDNRXZQV-UHFFFAOYSA-N -1 0 345.311 2.065 20 5 EEBDRM O=C([O-])c1ccccc1OCCOC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001610675978 1352259626 /nfs/dbraw/zinc/25/96/26/1352259626.db2.gz VZRQTQRHKMKULU-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC001610795425 1352275986 /nfs/dbraw/zinc/27/59/86/1352275986.db2.gz ICVSZHDTABREMC-UHFFFAOYSA-N -1 0 329.312 2.188 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCC1CCOCC1 ZINC001610817894 1352279806 /nfs/dbraw/zinc/27/98/06/1352279806.db2.gz YSDINEJQWHJQRB-UHFFFAOYSA-N -1 0 339.304 2.430 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC001610876742 1352289514 /nfs/dbraw/zinc/28/95/14/1352289514.db2.gz XCEGVWNDMVPMAM-JTQLQIEISA-N -1 0 344.117 2.377 20 5 EEBDRM Cc1c(C(=O)O[C@H](C(=O)[O-])C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001600005663 1349953526 /nfs/dbraw/zinc/95/35/26/1349953526.db2.gz RVCAWELNJDGRFI-LBPRGKRZSA-N -1 0 338.272 2.140 20 5 EEBDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001600005662 1349953819 /nfs/dbraw/zinc/95/38/19/1349953819.db2.gz RVCAWELNJDGRFI-GFCCVEGCSA-N -1 0 338.272 2.140 20 5 EEBDRM Cc1c(NC(=O)COCc2cccnc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600034076 1349958946 /nfs/dbraw/zinc/95/89/46/1349958946.db2.gz UAWUUPIFIFJRJK-UHFFFAOYSA-N -1 0 345.311 2.152 20 5 EEBDRM Cc1c(NC(=O)N[C@H]2COCC2(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600040519 1349960259 /nfs/dbraw/zinc/96/02/59/1349960259.db2.gz KFUPYOXYNSVXKH-LBPRGKRZSA-N -1 0 337.332 2.148 20 5 EEBDRM Cc1cc(C(=O)NCCc2ncc(C(=O)[O-])s2)cc([N+](=O)[O-])c1 ZINC001600094844 1349970145 /nfs/dbraw/zinc/97/01/45/1349970145.db2.gz UCUZNDUTXAAHKA-UHFFFAOYSA-N -1 0 335.341 2.030 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-] ZINC001600164284 1349983381 /nfs/dbraw/zinc/98/33/81/1349983381.db2.gz JXGDFDPETIUMRE-AWEZNQCLSA-N -1 0 338.360 2.162 20 5 EEBDRM Cc1cc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC001600204083 1349992398 /nfs/dbraw/zinc/99/23/98/1349992398.db2.gz BUWNAAWULIEPHO-INIZCTEOSA-N -1 0 330.344 2.091 20 5 EEBDRM Cc1cc(NC(=O)CCCn2ccc(C(=O)[O-])n2)ccc1[N+](=O)[O-] ZINC001600254819 1350002933 /nfs/dbraw/zinc/00/29/33/1350002933.db2.gz UHDDTWMPLZOMSN-UHFFFAOYSA-N -1 0 332.316 2.217 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1ccc(C(=O)[O-])n1C ZINC001600305428 1350016195 /nfs/dbraw/zinc/01/61/95/1350016195.db2.gz XVBVQHSDJYETHJ-UHFFFAOYSA-N -1 0 348.311 2.176 20 5 EEBDRM Cc1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC001600378191 1350034747 /nfs/dbraw/zinc/03/47/47/1350034747.db2.gz WZMSHJSDPDWAAY-LBPRGKRZSA-N -1 0 343.339 2.084 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001600487882 1350063097 /nfs/dbraw/zinc/06/30/97/1350063097.db2.gz CUDRXFGNDXKDJA-HNNXBMFYSA-N -1 0 346.314 2.468 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1 ZINC001600486659 1350063422 /nfs/dbraw/zinc/06/34/22/1350063422.db2.gz BYABTQMGYRGCLI-SDJAHQOYSA-N -1 0 348.355 2.138 20 5 EEBDRM Nc1ccc(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001601215982 1350233662 /nfs/dbraw/zinc/23/36/62/1350233662.db2.gz UBVXSZJHEQQWGR-QGZVFWFLSA-N -1 0 327.340 2.410 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(CC(=O)CCCc2ccccc2)c1=O ZINC001601270453 1350245920 /nfs/dbraw/zinc/24/59/20/1350245920.db2.gz JFPSUMOYHAZXJT-UHFFFAOYSA-N -1 0 344.323 2.047 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC001601359201 1350266007 /nfs/dbraw/zinc/26/60/07/1350266007.db2.gz AIXOMRAUBBWWBA-LLVKDONJSA-N -1 0 340.763 2.408 20 5 EEBDRM O=C([O-])[C@@H](CC1CCOCC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001601646382 1350327339 /nfs/dbraw/zinc/32/73/39/1350327339.db2.gz SUAQMZXZWZSUMC-GFCCVEGCSA-N -1 0 339.304 2.185 20 5 EEBDRM O=C([O-])[C@@H](c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001601691437 1350338800 /nfs/dbraw/zinc/33/88/00/1350338800.db2.gz ORTGBLXFBQLYLH-CYBMUJFWSA-N -1 0 339.300 2.334 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001601860528 1350383278 /nfs/dbraw/zinc/38/32/78/1350383278.db2.gz SLIASSCEWGMLMC-YTKNBERCSA-N -1 0 344.367 2.314 20 5 EEBDRM O=C([O-])C[C@H]1CCCCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC001601949524 1350403824 /nfs/dbraw/zinc/40/38/24/1350403824.db2.gz HRDBGCQJLRZLAU-GFCCVEGCSA-N -1 0 345.359 2.140 20 5 EEBDRM O=C([O-])CN(Cc1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC001602057222 1350428975 /nfs/dbraw/zinc/42/89/75/1350428975.db2.gz OLLMLJZTLMQTAW-UHFFFAOYSA-N -1 0 329.150 2.406 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2CC(N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001602232787 1350471704 /nfs/dbraw/zinc/47/17/04/1350471704.db2.gz NAGBDEXARDTSQD-UHFFFAOYSA-N -1 0 325.752 2.231 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(CCSCc2ccccc2)c1=O ZINC001602300882 1350488608 /nfs/dbraw/zinc/48/86/08/1350488608.db2.gz YBPKGUYNVXGLKI-UHFFFAOYSA-N -1 0 334.353 2.388 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CC3(CO2)CCOCC3)c1 ZINC001602405081 1350512077 /nfs/dbraw/zinc/51/20/77/1350512077.db2.gz KMWSUJMTOOGXBG-GFCCVEGCSA-N -1 0 336.344 2.291 20 5 EEBDRM O=C([O-])c1cccc(OCc2cc(=O)[nH]c(C3CC3)n2)c1[N+](=O)[O-] ZINC001602450641 1350522083 /nfs/dbraw/zinc/52/20/83/1350522083.db2.gz NRJCNEUZWXQZOQ-UHFFFAOYSA-N -1 0 331.284 2.245 20 5 EEBDRM CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)CC(=O)[O-] ZINC001603639501 1350733081 /nfs/dbraw/zinc/73/30/81/1350733081.db2.gz HCRHYMRGLXEVAX-UHFFFAOYSA-N -1 0 346.343 2.011 20 5 EEBDRM CC(C)C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001603781245 1350766548 /nfs/dbraw/zinc/76/65/48/1350766548.db2.gz BWHSJEXGJWTWDZ-NSHDSACASA-N -1 0 344.364 2.442 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603934264 1350805748 /nfs/dbraw/zinc/80/57/48/1350805748.db2.gz NFIQCNJJWKEWBP-VIFPVBQESA-N -1 0 346.286 2.220 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N[C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604315219 1350913872 /nfs/dbraw/zinc/91/38/72/1350913872.db2.gz SHSZHDFEGHHXQI-IXLVHKGHSA-N -1 0 333.344 2.008 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001604449771 1350940392 /nfs/dbraw/zinc/94/03/92/1350940392.db2.gz GBGQDGFQAKEYPT-WHXUTIOJSA-N -1 0 338.385 2.445 20 5 EEBDRM C[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C(=O)[O-])C1 ZINC001604757550 1350998164 /nfs/dbraw/zinc/99/81/64/1350998164.db2.gz VTJUGCVNBIBTMR-GXFFZTMASA-N -1 0 346.343 2.330 20 5 EEBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001605129079 1351082932 /nfs/dbraw/zinc/08/29/32/1351082932.db2.gz VPFCGURXRLXFQA-GFCCVEGCSA-N -1 0 346.343 2.006 20 5 EEBDRM O=c1c(-c2nnn[n-]2)cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12 ZINC001607089687 1351413492 /nfs/dbraw/zinc/41/34/92/1351413492.db2.gz HXTPTVHFASDPKY-UHFFFAOYSA-N -1 0 348.322 2.138 20 5 EEBDRM COc1cc(C)cnc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001607150041 1351438208 /nfs/dbraw/zinc/43/82/08/1351438208.db2.gz RHUAKAGXKVHVTR-UHFFFAOYSA-N -1 0 332.268 2.224 20 5 EEBDRM COc1ccc(C(=O)Cn2cc([N+](=O)[O-])c(C(=O)[O-])n2)cc1Cl ZINC001607202944 1351448097 /nfs/dbraw/zinc/44/80/97/1351448097.db2.gz QAKLINLJRFWYFP-UHFFFAOYSA-N -1 0 339.691 2.034 20 5 EEBDRM COc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1 ZINC001607330227 1351475667 /nfs/dbraw/zinc/47/56/67/1351475667.db2.gz KEYZHPJDFKGINS-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM Cc1c(NC(=O)N2CCO[C@@H](C3CC3)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607544467 1351513603 /nfs/dbraw/zinc/51/36/03/1351513603.db2.gz MZWVQASWVBWAPW-CQSZACIVSA-N -1 0 349.343 2.244 20 5 EEBDRM Cc1nn(CN(CCCC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC001608011115 1351604170 /nfs/dbraw/zinc/60/41/70/1351604170.db2.gz FZUWTLBALJBTGM-UHFFFAOYSA-N -1 0 332.360 2.424 20 5 EEBDRM C[C@H]1CC=C(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CC1 ZINC000835154375 1372597476 /nfs/dbraw/zinc/59/74/76/1372597476.db2.gz DRVZHIUEHUWDQP-QMMMGPOBSA-N -1 0 330.387 2.208 20 5 EEBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000785087914 760104187 /nfs/dbraw/zinc/10/41/87/760104187.db2.gz CUSFSCVXFZVLDT-MRVPVSSYSA-N -1 0 332.403 2.175 20 5 EEBDRM CN(CCOC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000920804102 770867821 /nfs/dbraw/zinc/86/78/21/770867821.db2.gz AIPNZHXNCGAAQJ-UHFFFAOYSA-N -1 0 334.288 2.124 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1 ZINC000112160803 775439827 /nfs/dbraw/zinc/43/98/27/775439827.db2.gz UOYPXGVYCBYABN-UHFFFAOYSA-N -1 0 326.355 2.083 20 5 EEBDRM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000820517026 785951013 /nfs/dbraw/zinc/95/10/13/785951013.db2.gz ZULDZZLXCZYCAS-ZJUUUORDSA-N -1 0 344.364 2.365 20 5 EEBDRM CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC000844158330 788904083 /nfs/dbraw/zinc/90/40/83/788904083.db2.gz MTBZTDZQXYWZNI-NSHDSACASA-N -1 0 335.360 2.036 20 5 EEBDRM O=C([O-])c1cnc(N2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000844214017 788932332 /nfs/dbraw/zinc/93/23/32/788932332.db2.gz CLBUXLKDPLEWJP-UHFFFAOYSA-N -1 0 343.339 2.176 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000844214586 788933749 /nfs/dbraw/zinc/93/37/49/788933749.db2.gz IDRUKTPVBNFNGH-UONOGXRCSA-N -1 0 334.372 2.475 20 5 EEBDRM O=C([O-])C=Cc1ccc(NCc2nnc(C3CC3)[nH]2)c([N+](=O)[O-])c1 ZINC000844216729 788934447 /nfs/dbraw/zinc/93/44/47/788934447.db2.gz VDRAGSXEKKZPPJ-QHHAFSJGSA-N -1 0 329.316 2.300 20 5 EEBDRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000173874344 791916594 /nfs/dbraw/zinc/91/65/94/791916594.db2.gz NLJFZBPWABYIFR-MRVPVSSYSA-N -1 0 334.781 2.489 20 5 EEBDRM O=Nc1c(=O)[nH]c(=S)[nH]c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503762 797785008 /nfs/dbraw/zinc/78/50/08/797785008.db2.gz WVHIADMVRGBHOA-UHFFFAOYSA-N -1 0 337.273 2.219 20 5 EEBDRM CCOC(=O)c1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccn1 ZINC001176671875 798523006 /nfs/dbraw/zinc/52/30/06/798523006.db2.gz CBKKKFQCFXEAFD-UHFFFAOYSA-N -1 0 331.284 2.030 20 5 EEBDRM CN(C)C(=O)c1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1O ZINC001176680309 798525955 /nfs/dbraw/zinc/52/59/55/798525955.db2.gz YEABLVFSDNUSRT-UHFFFAOYSA-N -1 0 345.311 2.444 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[N-]OC[C@H]1CCOC1 ZINC000788121108 807379679 /nfs/dbraw/zinc/37/96/79/807379679.db2.gz YPAJOSHTBFQPSD-ZJUUUORDSA-N -1 0 344.751 2.100 20 5 EEBDRM O=C(NCC(F)(F)Br)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000805248546 811732481 /nfs/dbraw/zinc/73/24/81/811732481.db2.gz IEJNVNXIZZZBFJ-UHFFFAOYSA-N -1 0 325.065 2.018 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000584388651 939797426 /nfs/dbraw/zinc/79/74/26/939797426.db2.gz QBZGKKPQLVLFQR-ZDUSSCGKSA-N -1 0 349.368 2.324 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001595161336 952198271 /nfs/dbraw/zinc/19/82/71/952198271.db2.gz BTHCDGCJGJEBKR-AWEZNQCLSA-N -1 0 344.327 2.064 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001595164677 952204788 /nfs/dbraw/zinc/20/47/88/952204788.db2.gz XVDNMMJFLHUEFC-SNVBAGLBSA-N -1 0 344.327 2.472 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)ccn1 ZINC001595208090 952346300 /nfs/dbraw/zinc/34/63/00/952346300.db2.gz QEMZAWNAUUYGCP-OLZOCXBDSA-N -1 0 327.296 2.430 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC001589271703 953414508 /nfs/dbraw/zinc/41/45/08/953414508.db2.gz FKNFGSUVZCLOBP-NXEZZACHSA-N -1 0 331.328 2.259 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001589303372 953710524 /nfs/dbraw/zinc/71/05/24/953710524.db2.gz REIVWYCXBDPSOF-MMMKDXCPSA-N -1 0 332.356 2.410 20 5 EEBDRM C[C@@](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589095388 955982282 /nfs/dbraw/zinc/98/22/82/955982282.db2.gz CGBWKFCOMWTEFK-KRWDZBQOSA-N -1 0 346.314 2.393 20 5 EEBDRM O=C([O-])C1(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC001594706599 956842630 /nfs/dbraw/zinc/84/26/30/956842630.db2.gz JMUKIWYTYHQYIX-UHFFFAOYSA-N -1 0 326.736 2.304 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC001594716078 956928158 /nfs/dbraw/zinc/92/81/58/956928158.db2.gz JVCPVGDDIHBOQL-CYBMUJFWSA-N -1 0 336.250 2.429 20 5 EEBDRM O=C([O-])c1ccc(CCNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000013442423 957083232 /nfs/dbraw/zinc/08/32/32/957083232.db2.gz KFDWQMDGBBUPJT-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM CC[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001573798160 960793408 /nfs/dbraw/zinc/79/34/08/960793408.db2.gz QPUVNEVNIDJKJF-SECBINFHSA-N -1 0 343.767 2.201 20 5 EEBDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC001340562863 962101310 /nfs/dbraw/zinc/10/13/10/962101310.db2.gz HXWSSFAYFYSMFV-CYBMUJFWSA-N -1 0 343.339 2.431 20 5 EEBDRM C[C@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H]1C(=O)[O-] ZINC001603406755 973066618 /nfs/dbraw/zinc/06/66/18/973066618.db2.gz BUSAPIHCQMACGJ-XPTSAGLGSA-N -1 0 331.328 2.401 20 5 EEBDRM CC(C)Oc1cccc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)c1 ZINC001591797093 976013345 /nfs/dbraw/zinc/01/33/45/976013345.db2.gz WXNWDRYHBDHEKO-UHFFFAOYSA-N -1 0 332.312 2.290 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)c1[N+](=O)[O-] ZINC001591920860 976390988 /nfs/dbraw/zinc/39/09/88/976390988.db2.gz JCDADUPWIQJDCR-UHFFFAOYSA-N -1 0 344.327 2.342 20 5 EEBDRM O=C([O-])CN(Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000692531282 976524648 /nfs/dbraw/zinc/52/46/48/976524648.db2.gz CPMFTXDDSASBHJ-UHFFFAOYSA-N -1 0 328.324 2.251 20 5 EEBDRM C[C@@H](CC1CCC1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001592465278 978204821 /nfs/dbraw/zinc/20/48/21/978204821.db2.gz CHQOOSVPZCUKCL-VIFPVBQESA-N -1 0 342.373 2.150 20 5 EEBDRM C[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC001592693786 979145500 /nfs/dbraw/zinc/14/55/00/979145500.db2.gz CCQGSCPZGSSDEN-SCSAIBSYSA-N -1 0 339.106 2.491 20 5 EEBDRM CC[C@H](COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC001595182831 979809953 /nfs/dbraw/zinc/80/99/53/979809953.db2.gz JQDJTZYYOYYJBY-SNVBAGLBSA-N -1 0 333.300 2.048 20 5 EEBDRM CC[C@@H](COC)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595199163 979935835 /nfs/dbraw/zinc/93/58/35/979935835.db2.gz UUJDXFNXLAOLSV-JTQLQIEISA-N -1 0 325.321 2.148 20 5 EEBDRM C[C@](NC(=O)[C@H]1CC1(Cl)Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593001957 980213383 /nfs/dbraw/zinc/21/33/83/980213383.db2.gz ADAUSDLPKVJHJG-BXKDBHETSA-N -1 0 347.154 2.205 20 5 EEBDRM CO[C@@]1(C(F)(F)F)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000903612290 980992608 /nfs/dbraw/zinc/99/26/08/980992608.db2.gz ZBAQVJZRJCJTBG-ZDUSSCGKSA-N -1 0 348.277 2.446 20 5 EEBDRM CC[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@H]1C ZINC001595464416 981149638 /nfs/dbraw/zinc/14/96/38/981149638.db2.gz MYUOJPRXUNOKGU-VHSXEESVSA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC001595487591 981232809 /nfs/dbraw/zinc/23/28/09/981232809.db2.gz KOSBTGVHPCVAKB-TYNAWKSISA-N -1 0 340.401 2.024 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001594821461 981970580 /nfs/dbraw/zinc/97/05/80/981970580.db2.gz AQXLFPZDMWOZNO-CYBMUJFWSA-N -1 0 329.740 2.204 20 5 EEBDRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC001588939848 984631292 /nfs/dbraw/zinc/63/12/92/984631292.db2.gz UGUXSTNMLRUWQT-SOGBHIHOSA-N -1 0 341.323 2.335 20 5 EEBDRM C[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC001599932303 985336983 /nfs/dbraw/zinc/33/69/83/985336983.db2.gz JGYMXIDHLKOYCI-XVKPBYJWSA-N -1 0 345.149 2.036 20 5 EEBDRM CCO[C@@H]1C[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])[C@@H]1SC ZINC001596979635 986222356 /nfs/dbraw/zinc/22/23/56/986222356.db2.gz GQPDSSGBYGQOKV-IEBDPFPHSA-N -1 0 327.362 2.009 20 5 EEBDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC001589531282 987201335 /nfs/dbraw/zinc/20/13/35/987201335.db2.gz CRCKWYSDSJUNLQ-QMMMGPOBSA-N -1 0 331.284 2.136 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnc(C(=O)[O-])n2)c1 ZINC001599822996 988546832 /nfs/dbraw/zinc/54/68/32/988546832.db2.gz RGKKDNIBXKMUBO-UHFFFAOYSA-N -1 0 334.313 2.057 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001597844394 989557907 /nfs/dbraw/zinc/55/79/07/989557907.db2.gz ONJSVQPNEDVCNE-UHFFFAOYSA-N -1 0 344.331 2.306 20 5 EEBDRM CC(C)(CC(=O)[O-])C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001590625514 990309567 /nfs/dbraw/zinc/30/95/67/990309567.db2.gz NEOHDGUVXJHJFQ-UHFFFAOYSA-N -1 0 339.300 2.005 20 5 EEBDRM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC001598507106 992518906 /nfs/dbraw/zinc/51/89/06/992518906.db2.gz MFESJUOCGXUPOA-MRXNPFEDSA-N -1 0 330.340 2.458 20 5 EEBDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1ncc([N+](=O)[O-])cc1F ZINC001598523851 992693425 /nfs/dbraw/zinc/69/34/25/992693425.db2.gz HVYQXYZFJKUACI-UHFFFAOYSA-N -1 0 335.291 2.229 20 5 EEBDRM COc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC001599592455 993702670 /nfs/dbraw/zinc/70/26/70/993702670.db2.gz AERNRLJKCKPCNW-NWDGAFQWSA-N -1 0 349.343 2.178 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@H](C(=O)[O-])[C@H]3C)c2c1 ZINC001599637938 994316462 /nfs/dbraw/zinc/31/64/62/994316462.db2.gz NCHPSHXEVUDDRH-KOLCDFICSA-N -1 0 331.328 2.451 20 5 EEBDRM COc1cccc(C(=O)NCc2cccc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001599642229 994375567 /nfs/dbraw/zinc/37/55/67/994375567.db2.gz DPFRXBOKFDBWRS-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM C[C@]1(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC001594052717 997760606 /nfs/dbraw/zinc/76/06/06/997760606.db2.gz KGYCDNXUPLIGBQ-BZNIZROVSA-N -1 0 338.335 2.426 20 5 EEBDRM CO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@](C)(C(=O)[O-])C1 ZINC001599135591 998035690 /nfs/dbraw/zinc/03/56/90/998035690.db2.gz VVDMMQFEVKBBOT-SMDDNHRTSA-N -1 0 328.752 2.312 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001598955446 998231979 /nfs/dbraw/zinc/23/19/79/998231979.db2.gz GPRMBTBWWXNCNV-GTNSWQLSSA-N -1 0 348.355 2.381 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001599462059 998290989 /nfs/dbraw/zinc/29/09/89/998290989.db2.gz IBJXMFRPIUPENR-CYBMUJFWSA-N -1 0 336.344 2.367 20 5 EEBDRM CCc1cnc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])s1 ZINC000174019808 529664457 /nfs/dbraw/zinc/66/44/57/529664457.db2.gz GTDZBCHNIIRDAL-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM CCC[C@@](C)(NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000193203572 240059019 /nfs/dbraw/zinc/05/90/19/240059019.db2.gz URZOESXGBUFVMD-MRXNPFEDSA-N -1 0 346.343 2.154 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCSCC(=O)[O-] ZINC000262832051 245201236 /nfs/dbraw/zinc/20/12/36/245201236.db2.gz XUWUVQSOUQSTOB-UHFFFAOYSA-N -1 0 326.374 2.068 20 5 EEBDRM CC(C)(CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262935549 245258877 /nfs/dbraw/zinc/25/88/77/245258877.db2.gz HHJAPDLRDUXKJQ-UHFFFAOYSA-N -1 0 337.376 2.404 20 5 EEBDRM Cc1nc(C)c(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000266229266 248189643 /nfs/dbraw/zinc/18/96/43/248189643.db2.gz UGAJNBNUZQRSRN-UHFFFAOYSA-N -1 0 345.377 2.286 20 5 EEBDRM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000371871111 143672177 /nfs/dbraw/zinc/67/21/77/143672177.db2.gz XKZMSSSWYWZRPR-SNVBAGLBSA-N -1 0 336.250 2.442 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccs1 ZINC000356005828 153240230 /nfs/dbraw/zinc/24/02/30/153240230.db2.gz UNFBAYYIIVXNEH-LBPRGKRZSA-N -1 0 336.325 2.006 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(CCCO)Cc1ccccc1 ZINC000357666275 153276770 /nfs/dbraw/zinc/27/67/70/153276770.db2.gz ALYPLVJBSHLCNC-UHFFFAOYSA-N -1 0 330.340 2.325 20 5 EEBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000131739037 292392753 /nfs/dbraw/zinc/39/27/53/292392753.db2.gz GUJGFIXPCOEBDY-UHFFFAOYSA-N -1 0 335.341 2.302 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(C(=O)NC2CC2)cc1 ZINC000092547529 159222733 /nfs/dbraw/zinc/22/27/33/159222733.db2.gz QQWGBFRZYGMFKZ-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccnc1N(C)C ZINC000105565733 159302220 /nfs/dbraw/zinc/30/22/20/159302220.db2.gz FNWUARBCIMELMS-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM COc1cccc(OC)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000345371795 161296262 /nfs/dbraw/zinc/29/62/62/161296262.db2.gz IMCKBBOIZWMJNN-UHFFFAOYSA-N -1 0 332.312 2.499 20 5 EEBDRM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)c([O-])cc1F ZINC000345620124 161316949 /nfs/dbraw/zinc/31/69/49/161316949.db2.gz IGCCIYUCEYCHHA-UHFFFAOYSA-N -1 0 328.687 2.318 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1O ZINC000351767263 161915922 /nfs/dbraw/zinc/91/59/22/161915922.db2.gz GBACFYWYNNSUKQ-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM COC(=O)C1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCCCC1 ZINC000364941487 165326674 /nfs/dbraw/zinc/32/66/74/165326674.db2.gz PAXADCHHOLIUSK-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000275035977 269086999 /nfs/dbraw/zinc/08/69/99/269086999.db2.gz JGHIYRDYNAMSCD-ZUZCIYMTSA-N -1 0 338.385 2.085 20 5 EEBDRM Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000279384141 269275594 /nfs/dbraw/zinc/27/55/94/269275594.db2.gz UNMJAASUAFAZON-ZDUSSCGKSA-N -1 0 332.316 2.138 20 5 EEBDRM COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274740760 274219932 /nfs/dbraw/zinc/21/99/32/274219932.db2.gz CXYMZWJGHNXWSH-BBRMVZONSA-N -1 0 336.344 2.152 20 5 EEBDRM Cc1cc(COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000277404568 274290716 /nfs/dbraw/zinc/29/07/16/274290716.db2.gz FUAQTZCDDJALEZ-UHFFFAOYSA-N -1 0 348.277 2.404 20 5 EEBDRM CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])Cc2ccccc21 ZINC000364058634 290032181 /nfs/dbraw/zinc/03/21/81/290032181.db2.gz XFTOEQPCMBIJHS-UHFFFAOYSA-N -1 0 327.340 2.393 20 5 EEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)N1CCc2ccccc21 ZINC000158906418 311333881 /nfs/dbraw/zinc/33/38/81/311333881.db2.gz MJCMQAPXJCIWHV-UHFFFAOYSA-N -1 0 334.353 2.360 20 5 EEBDRM COc1ccc(NC(=O)N(CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC000326182980 311602999 /nfs/dbraw/zinc/60/29/99/311602999.db2.gz QXFCTSPUKFOVLL-UHFFFAOYSA-N -1 0 337.332 2.465 20 5 EEBDRM Cc1cccc(N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1[N+](=O)[O-] ZINC000416452154 313226874 /nfs/dbraw/zinc/22/68/74/313226874.db2.gz ZYPVILOHVREGKS-STQMWFEESA-N -1 0 335.360 2.025 20 5 EEBDRM CCC(=O)c1ccc([O-])c(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000436646459 314984161 /nfs/dbraw/zinc/98/41/61/314984161.db2.gz GPXVNNBZDVSINX-UHFFFAOYSA-N -1 0 332.316 2.187 20 5 EEBDRM COC(=O)c1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436789117 314998037 /nfs/dbraw/zinc/99/80/37/314998037.db2.gz CHWJSZIPTOAYMW-UHFFFAOYSA-N -1 0 330.296 2.017 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000436796420 314999090 /nfs/dbraw/zinc/99/90/90/314999090.db2.gz JUWVYJOMYNVGJY-LBPRGKRZSA-N -1 0 338.360 2.397 20 5 EEBDRM COCCN(Cc1cncs1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436811973 315000786 /nfs/dbraw/zinc/00/07/86/315000786.db2.gz WVFHLFODMYFUJY-UHFFFAOYSA-N -1 0 337.357 2.046 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)c([N+](=O)[O-])c1 ZINC000444066616 315271956 /nfs/dbraw/zinc/27/19/56/315271956.db2.gz UQGPYLCUAAPNFX-UHFFFAOYSA-N -1 0 326.334 2.210 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000458314068 315697534 /nfs/dbraw/zinc/69/75/34/315697534.db2.gz OOYYWNMCHJAACC-GOEBONIOSA-N -1 0 334.372 2.314 20 5 EEBDRM O=C([O-])CCC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000538583587 318037792 /nfs/dbraw/zinc/03/77/92/318037792.db2.gz XSPGZFDZIADFRU-UHFFFAOYSA-N -1 0 335.360 2.110 20 5 EEBDRM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000541880563 318115246 /nfs/dbraw/zinc/11/52/46/318115246.db2.gz FYWRVMYMELYQAW-GFCCVEGCSA-N -1 0 330.340 2.324 20 5 EEBDRM CCc1nccn1C[C@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000542810930 318142926 /nfs/dbraw/zinc/14/29/26/318142926.db2.gz VLTMKVBGYAPAMP-CYBMUJFWSA-N -1 0 344.371 2.364 20 5 EEBDRM CN1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000543719486 318168424 /nfs/dbraw/zinc/16/84/24/318168424.db2.gz PTBWSJZJISJQHN-OAHLLOKOSA-N -1 0 327.340 2.217 20 5 EEBDRM CCc1cc(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)on1 ZINC000544654782 318193862 /nfs/dbraw/zinc/19/38/62/318193862.db2.gz MTFNUDLYGWUXDN-UHFFFAOYSA-N -1 0 339.373 2.241 20 5 EEBDRM CC(=O)N1CCc2c1cccc2NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000548467058 318390684 /nfs/dbraw/zinc/39/06/84/318390684.db2.gz UMLIJACIXWNKCP-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](n3ccnc3)C2)n1 ZINC000563205567 318983950 /nfs/dbraw/zinc/98/39/50/318983950.db2.gz LLJIQUQETOGGDN-MFKMUULPSA-N -1 0 345.359 2.280 20 5 EEBDRM Cn1cc([C@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000564099994 319067887 /nfs/dbraw/zinc/06/78/87/319067887.db2.gz RLBCIFQHTSYLCB-CYBMUJFWSA-N -1 0 344.371 2.300 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000564626919 319094962 /nfs/dbraw/zinc/09/49/62/319094962.db2.gz WZTAXZDHLFHTFB-ZDUSSCGKSA-N -1 0 331.284 2.248 20 5 EEBDRM CC(C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000564923673 319128927 /nfs/dbraw/zinc/12/89/27/319128927.db2.gz MNUUAMJJGBLMJE-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM Cc1cc(N2CCC[C@@H](Cn3ccnn3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566293513 319270700 /nfs/dbraw/zinc/27/07/00/319270700.db2.gz VSQUNHBUUOYXAO-GFCCVEGCSA-N -1 0 345.359 2.110 20 5 EEBDRM COc1c(C)cnc(CN(C)c2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1C ZINC000566295022 319270921 /nfs/dbraw/zinc/27/09/21/319270921.db2.gz MABYZSZSERDTPK-UHFFFAOYSA-N -1 0 346.343 2.345 20 5 EEBDRM CCCN(C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H](COC)C(=O)[O-] ZINC000566952446 319334718 /nfs/dbraw/zinc/33/47/18/319334718.db2.gz IQUNKXWLMBTLKI-CYBMUJFWSA-N -1 0 339.348 2.247 20 5 EEBDRM Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000572689520 319867746 /nfs/dbraw/zinc/86/77/46/319867746.db2.gz SSMFZBPMMOVBHJ-LBPRGKRZSA-N -1 0 332.316 2.138 20 5 EEBDRM O=C([O-])c1cnc(N2CCN(c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000573449869 319936070 /nfs/dbraw/zinc/93/60/70/319936070.db2.gz ZWUCWEFYSFQHOX-UHFFFAOYSA-N -1 0 334.357 2.076 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCN(C2CCC2)CC1 ZINC000575047850 320082487 /nfs/dbraw/zinc/08/24/87/320082487.db2.gz DRMQQKFZSGQHNH-UHFFFAOYSA-N -1 0 339.779 2.264 20 5 EEBDRM CCOc1ccc([N-]S(=O)(=O)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000192710713 323481681 /nfs/dbraw/zinc/48/16/81/323481681.db2.gz ODMZNAYUAGPAST-UHFFFAOYSA-N -1 0 341.345 2.399 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000392650034 323549670 /nfs/dbraw/zinc/54/96/70/323549670.db2.gz AHQHITZCBXLGIJ-HNNXBMFYSA-N -1 0 349.387 2.470 20 5 EEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)nc2)c1 ZINC000578506422 323644078 /nfs/dbraw/zinc/64/40/78/323644078.db2.gz IAWSXHNREMULJL-UHFFFAOYSA-N -1 0 348.384 2.391 20 5 EEBDRM O=C([O-])C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCO1 ZINC000582125135 324386864 /nfs/dbraw/zinc/38/68/64/324386864.db2.gz HUIFKTHBHBNFLJ-ZDUSSCGKSA-N -1 0 343.339 2.337 20 5 EEBDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000327120277 465047675 /nfs/dbraw/zinc/04/76/75/465047675.db2.gz OCOCRDKWXSYAKN-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccsc1 ZINC000347868740 465275420 /nfs/dbraw/zinc/27/54/20/465275420.db2.gz GPEKUBGXMIVVIL-GFCCVEGCSA-N -1 0 336.325 2.006 20 5 EEBDRM COc1cc(/C=C\c2cc(C(=O)[O-])ncn2)c([N+](=O)[O-])cc1OC ZINC000535593645 468315369 /nfs/dbraw/zinc/31/53/69/468315369.db2.gz XOEIUZXUXWZHHA-ARJAWSKDSA-N -1 0 331.284 2.271 20 5 EEBDRM CCCc1cc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n(C)n1 ZINC000092866101 462985834 /nfs/dbraw/zinc/98/58/34/462985834.db2.gz KFWLGBHYNAHBLZ-UHFFFAOYSA-N -1 0 338.389 2.390 20 5 EEBDRM CNC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000029162793 463245255 /nfs/dbraw/zinc/24/52/55/463245255.db2.gz KZIHEZZFXCCXLH-UHFFFAOYSA-N -1 0 330.300 2.304 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000568507358 468348437 /nfs/dbraw/zinc/34/84/37/468348437.db2.gz STTGDKDFMRNFFI-UHFFFAOYSA-N -1 0 330.362 2.020 20 5 EEBDRM Cc1ccc(-c2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n[nH]2)o1 ZINC000160239577 463323220 /nfs/dbraw/zinc/32/32/20/463323220.db2.gz YDTYINOFCAEGMN-UHFFFAOYSA-N -1 0 343.299 2.299 20 5 EEBDRM O=C([O-])c1cc(N2CCN(Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000553636501 468375273 /nfs/dbraw/zinc/37/52/73/468375273.db2.gz FDAHBBIRRVUTAO-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000261832559 463872843 /nfs/dbraw/zinc/87/28/43/463872843.db2.gz NFDFHGNXHUFWSR-SNVBAGLBSA-N -1 0 347.352 2.265 20 5 EEBDRM COc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1F ZINC000178288607 463875075 /nfs/dbraw/zinc/87/50/75/463875075.db2.gz UOEBBNNTEIXHRK-UHFFFAOYSA-N -1 0 334.303 2.421 20 5 EEBDRM Cc1nc(C2(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)CCCC2)no1 ZINC000269293325 463943152 /nfs/dbraw/zinc/94/31/52/463943152.db2.gz QMERXZGPOZZJGD-UHFFFAOYSA-N -1 0 332.316 2.191 20 5 EEBDRM CCC[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000262283632 463991562 /nfs/dbraw/zinc/99/15/62/463991562.db2.gz VAADZIHJESDFRM-LLVKDONJSA-N -1 0 346.343 2.011 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000263567990 464131294 /nfs/dbraw/zinc/13/12/94/464131294.db2.gz GWGBGBZTXGMSFA-GFCCVEGCSA-N -1 0 341.751 2.126 20 5 EEBDRM COCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000281129085 464343234 /nfs/dbraw/zinc/34/32/34/464343234.db2.gz ILIAHEKSNUEQDE-SSDOTTSWSA-N -1 0 340.760 2.091 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000281159278 464353596 /nfs/dbraw/zinc/35/35/96/464353596.db2.gz OZQLGURTECTJLL-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM CCN(CC(=O)[O-])C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000190788947 464721693 /nfs/dbraw/zinc/72/16/93/464721693.db2.gz CCEPZDRMEMPNOX-UHFFFAOYSA-N -1 0 338.363 2.088 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC3(CCC(O)CC3)CC2)n1 ZINC000579839501 468421860 /nfs/dbraw/zinc/42/18/60/468421860.db2.gz YOTDXWVCAPDNPL-UHFFFAOYSA-N -1 0 335.360 2.210 20 5 EEBDRM CC[C@@H](COCC(F)(F)F)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000295318537 464787303 /nfs/dbraw/zinc/78/73/03/464787303.db2.gz CYXAOCMOYWJRQD-VIFPVBQESA-N -1 0 336.266 2.388 20 5 EEBDRM CC[C@@H]1C[C@H](C)CN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569007036 468423345 /nfs/dbraw/zinc/42/33/45/468423345.db2.gz CBXODXXKOKMWLI-GXSJLCMTSA-N -1 0 342.373 2.102 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2noc(C3CC3)n2)cc1C ZINC000183400354 464859221 /nfs/dbraw/zinc/85/92/21/464859221.db2.gz OKNNOJJOQFCVEV-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000597159238 468463298 /nfs/dbraw/zinc/46/32/98/468463298.db2.gz JPRJHMUTUCJQSW-UONOGXRCSA-N -1 0 334.328 2.077 20 5 EEBDRM Cc1oc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2N)cc1C(=O)[O-] ZINC000362747957 465996576 /nfs/dbraw/zinc/99/65/76/465996576.db2.gz NQPQVTMLVKYTMI-UHFFFAOYSA-N -1 0 333.300 2.049 20 5 EEBDRM COc1ccc([C@@H](CO)N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000357465977 466059313 /nfs/dbraw/zinc/05/93/13/466059313.db2.gz KHPCBXPKTGDHOR-MRXNPFEDSA-N -1 0 346.339 2.115 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)C=C([O-])c2ccncc2Cl)cc1 ZINC000340708632 466280199 /nfs/dbraw/zinc/28/01/99/466280199.db2.gz BXNNTGMNOMYLAU-UHFFFAOYSA-N -1 0 340.744 2.300 20 5 EEBDRM CCOC(=O)c1ccnc(NCCC(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC000424381357 467035716 /nfs/dbraw/zinc/03/57/16/467035716.db2.gz YRLRZBCCXNJEPF-UHFFFAOYSA-N -1 0 325.321 2.079 20 5 EEBDRM Cc1cn2c(n1)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])CCC2 ZINC000370924639 467046019 /nfs/dbraw/zinc/04/60/19/467046019.db2.gz OQRXFVLWVCPCHR-NSHDSACASA-N -1 0 330.344 2.113 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000432120567 467217403 /nfs/dbraw/zinc/21/74/03/467217403.db2.gz QQNCHPKEEIJGKI-CHWSQXEVSA-N -1 0 332.356 2.371 20 5 EEBDRM CCOC(=O)C[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000436581583 467546032 /nfs/dbraw/zinc/54/60/32/467546032.db2.gz JKKKNZVZUHVDMW-INIZCTEOSA-N -1 0 338.360 2.398 20 5 EEBDRM O=C(NCc1cccc2c1OCCCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436638243 467548229 /nfs/dbraw/zinc/54/82/29/467548229.db2.gz CMFWOSNEPIQPGC-UHFFFAOYSA-N -1 0 344.323 2.392 20 5 EEBDRM Cc1ccc(C[C@@H](CO)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C ZINC000457249621 467786611 /nfs/dbraw/zinc/78/66/11/467786611.db2.gz IKVARVKDWSQRTM-HNNXBMFYSA-N -1 0 344.367 2.251 20 5 EEBDRM Cc1nc(C)c(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])s1 ZINC000577495828 468185221 /nfs/dbraw/zinc/18/52/21/468185221.db2.gz FJPZOQVBZBDTIC-UHFFFAOYSA-N -1 0 336.373 2.724 20 5 EEBDRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590400036 468246823 /nfs/dbraw/zinc/24/68/23/468246823.db2.gz PRPOXALDECGODX-UHFFFAOYSA-N -1 0 341.283 2.043 20 5 EEBDRM Cn1nc2c(c1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])CCCC2 ZINC000567983788 468249227 /nfs/dbraw/zinc/24/92/27/468249227.db2.gz RZHBBSFLIZBXCI-UHFFFAOYSA-N -1 0 344.371 2.446 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnn(CCF)c2)cc1C ZINC000600659604 468613060 /nfs/dbraw/zinc/61/30/60/468613060.db2.gz GYYBIVYPBQULTM-UHFFFAOYSA-N -1 0 342.352 2.178 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nccc(C2CC2)n1 ZINC000600667520 468615205 /nfs/dbraw/zinc/61/52/05/468615205.db2.gz JIXMJEALJFXEPL-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM C[C@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000594528477 468615791 /nfs/dbraw/zinc/61/57/91/468615791.db2.gz LPVUHXHEWRILMV-YPMHNXCESA-N -1 0 335.360 2.205 20 5 EEBDRM CC[C@H](C)CCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000594720027 468663206 /nfs/dbraw/zinc/66/32/06/468663206.db2.gz MYUSRTHEJAPMGB-VIFPVBQESA-N -1 0 330.362 2.008 20 5 EEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)c1 ZINC000592382696 468687762 /nfs/dbraw/zinc/68/77/62/468687762.db2.gz BVHPUQYBWSESCG-UHFFFAOYSA-N -1 0 348.384 2.391 20 5 EEBDRM O=C([O-])c1ccc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000570969720 468721617 /nfs/dbraw/zinc/72/16/17/468721617.db2.gz HZGLNYDFUZKKQK-UHFFFAOYSA-N -1 0 344.327 2.131 20 5 EEBDRM C[C@H](C[C@H]1CCOC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592776138 468782701 /nfs/dbraw/zinc/78/27/01/468782701.db2.gz KJKIEGSSRPEOHM-RKDXNWHRSA-N -1 0 328.752 2.499 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCc2ccc3c(c2)CCO3)n1 ZINC000592972510 468831827 /nfs/dbraw/zinc/83/18/27/468831827.db2.gz QFEHXLSCYHCSGG-UHFFFAOYSA-N -1 0 343.339 2.586 20 5 EEBDRM CC(C)[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccnn1C ZINC000592978412 468832464 /nfs/dbraw/zinc/83/24/64/468832464.db2.gz AVCFNSDNLHATMD-JTQLQIEISA-N -1 0 333.348 2.273 20 5 EEBDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000592981007 468833686 /nfs/dbraw/zinc/83/36/86/468833686.db2.gz OIZLKADYKORVJW-GFCCVEGCSA-N -1 0 342.355 2.403 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000601416942 468865677 /nfs/dbraw/zinc/86/56/77/468865677.db2.gz DVAIANQNUWCLKQ-ZCFIWIBFSA-N -1 0 330.259 2.271 20 5 EEBDRM CC(C)(C)Cc1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000584529702 468893363 /nfs/dbraw/zinc/89/33/63/468893363.db2.gz USFVTWLDOVLXHC-UHFFFAOYSA-N -1 0 340.361 2.367 20 5 EEBDRM Cc1cc(C)cc([C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C(=O)[O-])c1 ZINC000572457864 468934413 /nfs/dbraw/zinc/93/44/13/468934413.db2.gz VYBGNKSYCZRHOG-AWEZNQCLSA-N -1 0 331.328 2.106 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000598660232 468949477 /nfs/dbraw/zinc/94/94/77/468949477.db2.gz PBTMXUDSQVSQDP-KBPBESRZSA-N -1 0 343.339 2.364 20 5 EEBDRM Cc1nn(C)c(C)c1-c1cc(=O)n(-c2cc([N+](=O)[O-])ccc2C)[n-]1 ZINC000601936336 469101135 /nfs/dbraw/zinc/10/11/35/469101135.db2.gz RGVAKOIDLUPMBE-UHFFFAOYSA-N -1 0 327.344 2.395 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C(=O)[O-])O1 ZINC000593755438 469125669 /nfs/dbraw/zinc/12/56/69/469125669.db2.gz IICALONEFQAICV-BXUZGUMPSA-N -1 0 343.339 2.335 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H](C(=O)[O-])O1 ZINC000593755325 469125856 /nfs/dbraw/zinc/12/58/56/469125856.db2.gz BTONRAFBBRNYNZ-RDDDGLTNSA-N -1 0 334.250 2.292 20 5 EEBDRM Cn1nccc1[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000563215210 469202212 /nfs/dbraw/zinc/20/22/12/469202212.db2.gz ZBRJHACNFXKYLN-NHYWBVRUSA-N -1 0 346.343 2.359 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000617742384 469787578 /nfs/dbraw/zinc/78/75/78/469787578.db2.gz LGJGRHHDBVROIW-LLVKDONJSA-N -1 0 335.360 2.261 20 5 EEBDRM COc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000608954380 469887603 /nfs/dbraw/zinc/88/76/03/469887603.db2.gz LCCYZJNXEFFTHS-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCN(CC(F)(F)F)CC1 ZINC000159258160 534719281 /nfs/dbraw/zinc/71/92/81/534719281.db2.gz DCLUUFBMFSUMED-UHFFFAOYSA-N -1 0 347.293 2.011 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCCC[C@H]1c1ncon1 ZINC000189649232 534720414 /nfs/dbraw/zinc/72/04/14/534720414.db2.gz MMQTVTIKDCYCKU-LBPRGKRZSA-N -1 0 332.316 2.441 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000737965408 575974119 /nfs/dbraw/zinc/97/41/19/575974119.db2.gz VADOHZWVKGOXDW-GFCCVEGCSA-N -1 0 336.325 2.221 20 5 EEBDRM COc1cccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000738104142 576514663 /nfs/dbraw/zinc/51/46/63/576514663.db2.gz HFKDFDNGCKNTLY-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000734704665 577322135 /nfs/dbraw/zinc/32/21/35/577322135.db2.gz VOSBYYXBHNJTOT-VIFPVBQESA-N -1 0 344.389 2.091 20 5 EEBDRM CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000774202489 577388712 /nfs/dbraw/zinc/38/87/12/577388712.db2.gz KALHCWNLJGIVRP-JTQLQIEISA-N -1 0 344.364 2.365 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000767075372 577530275 /nfs/dbraw/zinc/53/02/75/577530275.db2.gz RFGVVKWIGRCNGT-CYBMUJFWSA-N -1 0 347.371 2.178 20 5 EEBDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000759107002 577637219 /nfs/dbraw/zinc/63/72/19/577637219.db2.gz YTIRJUMLONUVGV-UHFFFAOYSA-N -1 0 348.277 2.138 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000755979929 577835685 /nfs/dbraw/zinc/83/56/85/577835685.db2.gz BJVRUCJJHAOGCT-UHFFFAOYSA-N -1 0 348.380 2.205 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000738747365 578025600 /nfs/dbraw/zinc/02/56/00/578025600.db2.gz UXKUHTJPCVNGCN-UHFFFAOYSA-N -1 0 333.252 2.234 20 5 EEBDRM NC(=O)C1(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000739156003 578041207 /nfs/dbraw/zinc/04/12/07/578041207.db2.gz YXRQSCMPOXMNFO-XQRVVYSFSA-N -1 0 333.344 2.150 20 5 EEBDRM O=C([O-])[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000739615563 578061024 /nfs/dbraw/zinc/06/10/24/578061024.db2.gz KHHYUGZTHQEQSP-MRXNPFEDSA-N -1 0 344.323 2.326 20 5 EEBDRM O=C([O-])c1cc(OCc2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000740087995 578080340 /nfs/dbraw/zinc/08/03/40/578080340.db2.gz NVVYOQBQZYURIF-UHFFFAOYSA-N -1 0 332.316 2.190 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cccc3c2OCCO3)cc([N+](=O)[O-])c1 ZINC000740089029 578080391 /nfs/dbraw/zinc/08/03/91/578080391.db2.gz OWBNDHUXWGCWFD-UHFFFAOYSA-N -1 0 344.279 2.317 20 5 EEBDRM CC(=O)N1CCC(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736135285 578182549 /nfs/dbraw/zinc/18/25/49/578182549.db2.gz BLOQGHASKHRRSV-HWKANZROSA-N -1 0 347.371 2.363 20 5 EEBDRM C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736219265 578187823 /nfs/dbraw/zinc/18/78/23/578187823.db2.gz MQUFNDNJLSBYTF-NWDGAFQWSA-N -1 0 347.371 2.109 20 5 EEBDRM CN(CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000737394197 578254649 /nfs/dbraw/zinc/25/46/49/578254649.db2.gz BVHXDCGMOGYPOT-UHFFFAOYSA-N -1 0 329.312 2.368 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C(C)(C)NC(=O)[O-] ZINC000737451187 578258517 /nfs/dbraw/zinc/25/85/17/578258517.db2.gz LAYHOFCPEYQNIC-UHFFFAOYSA-N -1 0 329.740 2.253 20 5 EEBDRM O=C([O-])c1ccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000821543275 598157576 /nfs/dbraw/zinc/15/75/76/598157576.db2.gz JIAAIUHTGSJGHP-UHFFFAOYSA-N -1 0 326.308 2.492 20 5 EEBDRM CCCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000829346553 601404964 /nfs/dbraw/zinc/40/49/64/601404964.db2.gz ARYYJARKVZJJRS-LLVKDONJSA-N -1 0 348.352 2.046 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000833234738 601512012 /nfs/dbraw/zinc/51/20/12/601512012.db2.gz SPFKKLWMRMQRRA-UHFFFAOYSA-N -1 0 329.312 2.107 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)CCSCC(=O)[O-])cc1[N+](=O)[O-] ZINC000832922748 601625588 /nfs/dbraw/zinc/62/55/88/601625588.db2.gz ZLPKODHHLWIQQF-JTQLQIEISA-N -1 0 326.374 2.288 20 5 EEBDRM CC(C)(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000826559314 601709110 /nfs/dbraw/zinc/70/91/10/601709110.db2.gz OVKXRHKFGDOFGT-UHFFFAOYSA-N -1 0 349.387 2.038 20 5 EEBDRM CC(=O)N[C@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000825870856 602251177 /nfs/dbraw/zinc/25/11/77/602251177.db2.gz HBHORJLHULGNCG-VIFPVBQESA-N -1 0 341.751 2.051 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000827097320 604904994 /nfs/dbraw/zinc/90/49/94/604904994.db2.gz KHRYKUOOSVJGSK-UHFFFAOYSA-N -1 0 347.331 2.461 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC000827097107 604920217 /nfs/dbraw/zinc/92/02/17/604920217.db2.gz CBDBWFQECZIUFK-LLVKDONJSA-N -1 0 346.343 2.040 20 5 EEBDRM CC(C)C(=O)NC[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833462862 605181643 /nfs/dbraw/zinc/18/16/43/605181643.db2.gz HOTQAELPPXMSDL-LBPRGKRZSA-N -1 0 349.387 2.282 20 5 EEBDRM CC(C)(C(=O)Nc1cccc(CCC(=O)[O-])c1)n1cc([N+](=O)[O-])cn1 ZINC000262391956 677809865 /nfs/dbraw/zinc/80/98/65/677809865.db2.gz MIZUVZZPDAKDBM-UHFFFAOYSA-N -1 0 346.343 2.182 20 5 EEBDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1 ZINC000262407822 677823951 /nfs/dbraw/zinc/82/39/51/677823951.db2.gz NJDXXBQNJNAQAI-LBPRGKRZSA-N -1 0 338.360 2.184 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)n2)cc1[N+](=O)[O-] ZINC000185923232 685373264 /nfs/dbraw/zinc/37/32/64/685373264.db2.gz NKBJEDUNJNGDFO-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237068309 682042773 /nfs/dbraw/zinc/04/27/73/682042773.db2.gz GHNVMLDILLQKJJ-LLVKDONJSA-N -1 0 346.343 2.106 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccsc1 ZINC000122581861 683385806 /nfs/dbraw/zinc/38/58/06/683385806.db2.gz JGKAGEMVTVZOLZ-ZETCQYMHSA-N -1 0 346.411 2.326 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000262125005 683902809 /nfs/dbraw/zinc/90/28/09/683902809.db2.gz LRFKAMVQIPJUMT-UHFFFAOYSA-N -1 0 345.355 2.332 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H](Cc2nccs2)C1 ZINC000890218001 1202229401 /nfs/dbraw/zinc/22/94/01/1202229401.db2.gz RZPBCCFVFMUTBD-JTQLQIEISA-N -1 0 333.369 2.462 20 5 EEBDRM O=C(NC[C@@H]1COc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779645878 1210696262 /nfs/dbraw/zinc/69/62/62/1210696262.db2.gz QAQXKXOKEYNBAC-LLVKDONJSA-N -1 0 328.324 2.282 20 5 EEBDRM Cc1cc(C)cc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000801531102 1235791720 /nfs/dbraw/zinc/79/17/20/1235791720.db2.gz LMQUDQUHWCDOOA-MRXNPFEDSA-N -1 0 330.340 2.381 20 5 EEBDRM Cc1cc(C)cc([C@@H](O)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000801532532 1235792844 /nfs/dbraw/zinc/79/28/44/1235792844.db2.gz BTMPZRKPFKFNIM-INIZCTEOSA-N -1 0 330.340 2.381 20 5 EEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CCCF)cc1[N+](=O)[O-] ZINC000850735606 1277319757 /nfs/dbraw/zinc/31/97/57/1277319757.db2.gz APDWXTAEVCTDKV-UHFFFAOYSA-N -1 0 338.744 2.111 20 5 EEBDRM O=C(CC1=CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850889773 1277382498 /nfs/dbraw/zinc/38/24/98/1277382498.db2.gz YZIHCTVDRGAIPN-UHFFFAOYSA-N -1 0 342.348 2.429 20 5 EEBDRM CCOC(=O)CS(=O)(=O)[N-]c1cc2cccnc2c2ncccc12 ZINC001195974727 1283827811 /nfs/dbraw/zinc/82/78/11/1283827811.db2.gz IQDVOEISVSDSSE-UHFFFAOYSA-N -1 0 345.380 2.088 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@](O)(c2ccccc2)C1 ZINC000862800513 1295967082 /nfs/dbraw/zinc/96/70/82/1295967082.db2.gz GPQOAESOUVXPRK-GOSISDBHSA-N -1 0 342.351 2.424 20 5 EEBDRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000864230536 1296466830 /nfs/dbraw/zinc/46/68/30/1296466830.db2.gz ZIBCGLANKPWCTE-ZDUSSCGKSA-N -1 0 331.328 2.188 20 5 EEBDRM COc1cnc(-c2noc(-c3ccc([N+](=O)[O-])cc3[O-])n2)c(OC)c1 ZINC001216564296 1297215539 /nfs/dbraw/zinc/21/55/39/1297215539.db2.gz XSHQGBODEBLYQK-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM CC(C)(C)OC(=O)N1C[C@H](Oc2cccc([O-])c2[N+](=O)[O-])CC1=O ZINC001225619719 1301096766 /nfs/dbraw/zinc/09/67/66/1301096766.db2.gz HWVITTJSTDJFNZ-SECBINFHSA-N -1 0 338.316 2.215 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC001226650225 1301493325 /nfs/dbraw/zinc/49/33/25/1301493325.db2.gz SSTFXESGNHZNPJ-VROVMSAKSA-N -1 0 325.321 2.081 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](CC(C)C)C(C)C)c1[N+](=O)[O-] ZINC001226650169 1301493365 /nfs/dbraw/zinc/49/33/65/1301493365.db2.gz REJPOVAKMMXNNC-VIFPVBQESA-N -1 0 327.337 2.327 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CCC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC001226650138 1301493429 /nfs/dbraw/zinc/49/34/29/1301493429.db2.gz QKIUGLRTZMESMI-IWSPIJDZSA-N -1 0 325.321 2.081 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1nc(=O)[n-]c(C)c1Cl ZINC001227112358 1301692235 /nfs/dbraw/zinc/69/22/35/1301692235.db2.gz ZVGGHBRVNHQSRI-ZCFIWIBFSA-N -1 0 327.728 2.025 20 5 EEBDRM COCC(=O)c1ccc(O)cc1O[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001227169093 1301719236 /nfs/dbraw/zinc/71/92/36/1301719236.db2.gz PXICVUYHJZZKAT-INIZCTEOSA-N -1 0 332.312 2.013 20 5 EEBDRM C[C@@H](CC(=O)OC(C)(C)C)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228603437 1302332999 /nfs/dbraw/zinc/33/29/99/1302332999.db2.gz JIOXOWNRPQRMDN-QMMMGPOBSA-N -1 0 339.348 2.467 20 5 EEBDRM COc1ccc(OC[C@H](C)Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001229380885 1302754401 /nfs/dbraw/zinc/75/44/01/1302754401.db2.gz MNXBFXIJWUZROP-VIFPVBQESA-N -1 0 335.316 2.254 20 5 EEBDRM CCN1CC(Oc2cc3c4ccc(O)cc4oc(=O)c3cc2O)C1 ZINC001229804170 1302950676 /nfs/dbraw/zinc/95/06/76/1302950676.db2.gz XHNSGKWMUBCXMG-UHFFFAOYSA-N -1 0 327.336 2.440 20 5 EEBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]2C)[n-]1 ZINC001231263824 1303710737 /nfs/dbraw/zinc/71/07/37/1303710737.db2.gz MLYCAQYGHIRODF-GXSJLCMTSA-N -1 0 339.348 2.390 20 5 EEBDRM O=c1ccoc2cc([O-])cc(O[C@@H](C[N+](=O)[O-])c3cccnc3)c12 ZINC001233834658 1304607599 /nfs/dbraw/zinc/60/75/99/1304607599.db2.gz QLKXITPKHOBJLD-HNNXBMFYSA-N -1 0 328.280 2.290 20 5 EEBDRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000797233762 1304676136 /nfs/dbraw/zinc/67/61/36/1304676136.db2.gz MZXDTDFMTFIGNB-SECBINFHSA-N -1 0 332.353 2.365 20 5 EEBDRM COC(=O)c1n[n-]c(C(=O)OC)c1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001234189453 1304789708 /nfs/dbraw/zinc/78/97/08/1304789708.db2.gz MJPTXTOBXXVLNF-MRVPVSSYSA-N -1 0 349.299 2.031 20 5 EEBDRM CCCCC[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000797720086 1304810996 /nfs/dbraw/zinc/81/09/96/1304810996.db2.gz UYBFIEMJQXNYPE-CQSZACIVSA-N -1 0 337.376 2.470 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC001117743024 1306160474 /nfs/dbraw/zinc/16/04/74/1306160474.db2.gz HZUNUWYOEUFNBA-INIZCTEOSA-N -1 0 335.360 2.209 20 5 EEBDRM CN(C[C@H]1CCCCO1)c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C ZINC001123227359 1310494124 /nfs/dbraw/zinc/49/41/24/1310494124.db2.gz STFLGSJOVKJWOD-LLVKDONJSA-N -1 0 347.375 2.101 20 5 EEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000835749141 1314945811 /nfs/dbraw/zinc/94/58/11/1314945811.db2.gz ZEXRBRXSZCIOPA-NTZNESFSSA-N -1 0 338.385 2.151 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)ccc1[N+](=O)[O-] ZINC000835750015 1314946468 /nfs/dbraw/zinc/94/64/68/1314946468.db2.gz ZWPXVQGXXQTWSD-SUNKGSAMSA-N -1 0 338.385 2.151 20 5 EEBDRM Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])nc2)cc1Cl ZINC001203572419 1321914942 /nfs/dbraw/zinc/91/49/42/1321914942.db2.gz WZEKRTNDVUXFLS-UHFFFAOYSA-N -1 0 328.737 2.026 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001601813652 1350370735 /nfs/dbraw/zinc/37/07/35/1350370735.db2.gz BYBARLVOWXSCHC-RYUDHWBXSA-N -1 0 347.320 2.086 20 5 EEBDRM O=C([O-])c1ccc(OCCCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 ZINC001602389207 1350508841 /nfs/dbraw/zinc/50/88/41/1350508841.db2.gz JVBSGPYZNLSHFL-UHFFFAOYSA-N -1 0 336.344 2.465 20 5 EEBDRM O=C([O-])c1cnc(NCCCO[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001602532246 1350540500 /nfs/dbraw/zinc/54/05/00/1350540500.db2.gz NTYLCPWNKKTQTR-LBPRGKRZSA-N -1 0 325.321 2.033 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001608670628 1351738319 /nfs/dbraw/zinc/73/83/19/1351738319.db2.gz NHWLBFOWWHLPBP-CQSZACIVSA-N -1 0 336.344 2.123 20 5 EEBDRM O=C([O-])CC1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001608678880 1351740291 /nfs/dbraw/zinc/74/02/91/1351740291.db2.gz UMQRGTKPBKHGCV-UHFFFAOYSA-N -1 0 336.344 2.125 20 5 EEBDRM O=C([O-])CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC001608721936 1351749068 /nfs/dbraw/zinc/74/90/68/1351749068.db2.gz IDYXJONHBMLHBB-ZDUSSCGKSA-N -1 0 326.324 2.190 20 5 EEBDRM O=C([O-])CN(CCC(F)(F)F)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001608744966 1351754801 /nfs/dbraw/zinc/75/48/01/1351754801.db2.gz JNTPSCVOQCKRIL-UHFFFAOYSA-N -1 0 338.213 2.213 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CSCCO[C@H]2CCOC2)c1 ZINC001608914818 1351793344 /nfs/dbraw/zinc/79/33/44/1351793344.db2.gz LMPOZKAHJBUTJS-LBPRGKRZSA-N -1 0 327.358 2.332 20 5 EEBDRM O=C([O-])c1cnc(NCC(F)(F)C2(O)CCCCC2)c([N+](=O)[O-])c1 ZINC001608976733 1351806513 /nfs/dbraw/zinc/80/65/13/1351806513.db2.gz DFCXISBWPMXCGA-UHFFFAOYSA-N -1 0 345.302 2.430 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H](OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC001609016035 1351815101 /nfs/dbraw/zinc/81/51/01/1351815101.db2.gz SPKHLGKXCGBLFY-IUCAKERBSA-N -1 0 337.284 2.124 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H](OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC001609016033 1351815247 /nfs/dbraw/zinc/81/52/47/1351815247.db2.gz SPKHLGKXCGBLFY-BDAKNGLRSA-N -1 0 337.284 2.124 20 5 EEBDRM CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(C)c1 ZINC001324107102 1333610519 /nfs/dbraw/zinc/61/05/19/1333610519.db2.gz HCTOWJXIEDFCGN-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM Cn1nc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cc1C1CC1 ZINC001328715108 1334505275 /nfs/dbraw/zinc/50/52/75/1334505275.db2.gz VTOAVRFTDYAAHW-UHFFFAOYSA-N -1 0 328.375 2.068 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccoc1CC(=O)[O-] ZINC001610045137 1352148781 /nfs/dbraw/zinc/14/87/81/1352148781.db2.gz RHVGIFSKDSMXLY-UHFFFAOYSA-N -1 0 334.284 2.466 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001610052367 1352150335 /nfs/dbraw/zinc/15/03/35/1352150335.db2.gz KCRLCOHHPKJRDU-NHYWBVRUSA-N -1 0 338.360 2.288 20 5 EEBDRM CCn1nc(C)c(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])n1 ZINC001610084468 1352158742 /nfs/dbraw/zinc/15/87/42/1352158742.db2.gz CYMDYNZLUBBNBS-UHFFFAOYSA-N -1 0 339.739 2.478 20 5 EEBDRM COCC1(C)CN(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001610251430 1352194836 /nfs/dbraw/zinc/19/48/36/1352194836.db2.gz XFNXEHVTMIKXCG-UHFFFAOYSA-N -1 0 337.332 2.102 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001610515163 1352236621 /nfs/dbraw/zinc/23/66/21/1352236621.db2.gz UJBKLKHMRUPRGF-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM O=C([O-])c1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001610819503 1352280350 /nfs/dbraw/zinc/28/03/50/1352280350.db2.gz HYVHKYQVABUQER-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@H](CO)Cc3ccccc32)c1 ZINC001610840375 1352283317 /nfs/dbraw/zinc/28/33/17/1352283317.db2.gz OIKJAVHVAHRSKB-GFCCVEGCSA-N -1 0 342.351 2.464 20 5 EEBDRM CC(C)CCn1ccc([N-]c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])n1 ZINC001589614186 1349010691 /nfs/dbraw/zinc/01/06/91/1349010691.db2.gz PRNOGKGLIXCUAE-UHFFFAOYSA-N -1 0 343.351 2.156 20 5 EEBDRM O=[N+]([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)nc1-c1nnn[n-]1 ZINC001593486558 1349814700 /nfs/dbraw/zinc/81/47/00/1349814700.db2.gz ZXDAUQLNRNCXOX-UHFFFAOYSA-N -1 0 339.237 2.039 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1C ZINC001599992817 1349951021 /nfs/dbraw/zinc/95/10/21/1349951021.db2.gz AVUGPZFCUQOROA-UHFFFAOYSA-N -1 0 332.316 2.262 20 5 EEBDRM Cc1c(NC(=O)C[C@@H](C)n2ccnc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600033514 1349958556 /nfs/dbraw/zinc/95/85/56/1349958556.db2.gz NQJAJJDZOZJMTE-SECBINFHSA-N -1 0 332.316 2.388 20 5 EEBDRM Cc1c(NC(=O)N[C@@]2(C)CCO[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039148 1349960245 /nfs/dbraw/zinc/96/02/45/1349960245.db2.gz IJEQOTZSOMNDAV-VFZGTOFNSA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2CCO[C@@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041190 1349960692 /nfs/dbraw/zinc/96/06/92/1349960692.db2.gz QGOQDMXZOYZXNU-GZMMTYOYSA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc3cnn(C)c3c2)n1 ZINC001600105920 1349972331 /nfs/dbraw/zinc/97/23/31/1349972331.db2.gz NNMKEPVGGUFGNQ-UHFFFAOYSA-N -1 0 341.327 2.495 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC001600302130 1350014935 /nfs/dbraw/zinc/01/49/35/1350014935.db2.gz DXODIHBOBWKBCV-AWEZNQCLSA-N -1 0 326.736 2.493 20 5 EEBDRM Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C(=O)[O-])cc1 ZINC001600378925 1350034491 /nfs/dbraw/zinc/03/44/91/1350034491.db2.gz RCFUWZXIMWRTCQ-AWEZNQCLSA-N -1 0 343.339 2.282 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001600487059 1350063203 /nfs/dbraw/zinc/06/32/03/1350063203.db2.gz OWSRTZPLHMMSFD-NSHDSACASA-N -1 0 344.327 2.063 20 5 EEBDRM Cc1ncc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1C(=O)[O-] ZINC001600740483 1350125670 /nfs/dbraw/zinc/12/56/70/1350125670.db2.gz HFWPSJFKOHMHAY-UHFFFAOYSA-N -1 0 333.275 2.317 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1CC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001600748236 1350127134 /nfs/dbraw/zinc/12/71/34/1350127134.db2.gz GONCJSZGZYFELY-UHFFFAOYSA-N -1 0 347.327 2.068 20 5 EEBDRM O=C(/C=C/c1cc(C(=O)[O-])co1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001601234186 1350237928 /nfs/dbraw/zinc/23/79/28/1350237928.db2.gz SDACOCUNFPSDNR-AATRIKPKSA-N -1 0 330.296 2.258 20 5 EEBDRM O=C([O-])c1c(F)cccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001601618046 1350320949 /nfs/dbraw/zinc/32/09/49/1350320949.db2.gz PEXWLUGIZFDCEE-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM O=C([O-])[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@@H]1CCOC1 ZINC001601654925 1350329083 /nfs/dbraw/zinc/32/90/83/1350329083.db2.gz GGZYVWIAGMHUMW-NEPJUHHUSA-N -1 0 335.360 2.018 20 5 EEBDRM O=C([O-])C1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC2(CCC2)C1 ZINC001601699539 1350341990 /nfs/dbraw/zinc/34/19/90/1350341990.db2.gz KVSATHYHCVSCAA-UHFFFAOYSA-N -1 0 330.340 2.472 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@@H]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC001601807533 1350369042 /nfs/dbraw/zinc/36/90/42/1350369042.db2.gz HPAYMRCQFLZEIY-YPMHNXCESA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001601817279 1350371756 /nfs/dbraw/zinc/37/17/56/1350371756.db2.gz YXGUCPLITWXNKL-ZDUSSCGKSA-N -1 0 346.343 2.474 20 5 EEBDRM O=C([O-])CCSCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001602029334 1350421589 /nfs/dbraw/zinc/42/15/89/1350421589.db2.gz BDNDCKGOFGZTRI-UHFFFAOYSA-N -1 0 325.390 2.488 20 5 EEBDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001602109183 1350440226 /nfs/dbraw/zinc/44/02/26/1350440226.db2.gz MSFBWXRRRQRTCT-KOLCDFICSA-N -1 0 342.298 2.446 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C1CC1 ZINC001602186025 1350460414 /nfs/dbraw/zinc/46/04/14/1350460414.db2.gz ZZZLJRLNXSWLIT-WDEREUQCSA-N -1 0 338.747 2.431 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@@H](O)Cc3ccccc32)c1 ZINC001602404975 1350512080 /nfs/dbraw/zinc/51/20/80/1350512080.db2.gz LBEAPWARIQIJSN-AWEZNQCLSA-N -1 0 328.324 2.217 20 5 EEBDRM O=C([O-])c1csc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC001602560189 1350546684 /nfs/dbraw/zinc/54/66/84/1350546684.db2.gz HCTHEQNWNYYPPM-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM C/C(=C/CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001602968759 1350614078 /nfs/dbraw/zinc/61/40/78/1350614078.db2.gz WDVHJRKSTYQLON-CLFYSBASSA-N -1 0 326.736 2.328 20 5 EEBDRM CC(C)(C(=O)NCc1ncc(C(=O)[O-])s1)c1ccccc1[N+](=O)[O-] ZINC001603238102 1350668210 /nfs/dbraw/zinc/66/82/10/1350668210.db2.gz NDIPGJUVMKQYPD-UHFFFAOYSA-N -1 0 349.368 2.344 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@H](CC(F)F)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603934263 1350805741 /nfs/dbraw/zinc/80/57/41/1350805741.db2.gz NFIQCNJJWKEWBP-SECBINFHSA-N -1 0 346.286 2.220 20 5 EEBDRM CCC[C@@](C)(NC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001605197493 1351100920 /nfs/dbraw/zinc/10/09/20/1351100920.db2.gz AQDQUBFDHQHTQE-CQSZACIVSA-N -1 0 326.374 2.447 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1C ZINC001605570347 1351191865 /nfs/dbraw/zinc/19/18/65/1351191865.db2.gz WPEJPMRTQTVKNK-QWRGUYRKSA-N -1 0 336.344 2.379 20 5 EEBDRM CCOCCCN(C[C@H](C)C(=O)[O-])c1ncc(C)cc1[N+](=O)[O-] ZINC001605632058 1351206137 /nfs/dbraw/zinc/20/61/37/1351206137.db2.gz BJQLXSGJWPKBFK-LBPRGKRZSA-N -1 0 325.365 2.252 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001605707385 1351216718 /nfs/dbraw/zinc/21/67/18/1351216718.db2.gz IKGKUTFURMOUIH-KXNHARMFSA-N -1 0 348.355 2.223 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)OCc2cc(C(=O)[O-])ccc2C)n1 ZINC001605925515 1351254937 /nfs/dbraw/zinc/25/49/37/1351254937.db2.gz GKTGQDWFNZUWPZ-UHFFFAOYSA-N -1 0 333.300 2.175 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001606139546 1351278312 /nfs/dbraw/zinc/27/83/12/1351278312.db2.gz IZVWPTQGQJSQQO-IGCXYCKISA-N -1 0 347.371 2.032 20 5 EEBDRM COC(=O)c1cnc(Oc2cccc(CC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001606628763 1351333830 /nfs/dbraw/zinc/33/38/30/1351333830.db2.gz WFJYPLLMUZGEPB-UHFFFAOYSA-N -1 0 332.268 2.196 20 5 EEBDRM COC[C@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)[C@H]1CCCOC1 ZINC001606819636 1351360811 /nfs/dbraw/zinc/36/08/11/1351360811.db2.gz UYNALNKFLYLWCN-FZMZJTMJSA-N -1 0 338.360 2.455 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@]1(C)C(=O)[O-] ZINC001607474608 1351499626 /nfs/dbraw/zinc/49/96/26/1351499626.db2.gz UIMNTQWIWRPJJK-RTHLEPHNSA-N -1 0 326.736 2.431 20 5 EEBDRM Cc1c(NC(=O)COCc2ccccn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607540665 1351512755 /nfs/dbraw/zinc/51/27/55/1351512755.db2.gz LHRJCZFNONPVEW-UHFFFAOYSA-N -1 0 345.311 2.152 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001607654847 1351533919 /nfs/dbraw/zinc/53/39/19/1351533919.db2.gz GXOMRLDOOZEOGY-VHSXEESVSA-N -1 0 329.692 2.094 20 5 EEBDRM Cc1cncc(CCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC001607910041 1351584300 /nfs/dbraw/zinc/58/43/00/1351584300.db2.gz ROEHVTAWCPHBPD-HWKANZROSA-N -1 0 328.328 2.446 20 5 EEBDRM O=C([O-])c1ccn(CC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)n1 ZINC001608378716 1351681893 /nfs/dbraw/zinc/68/18/93/1351681893.db2.gz YQMJWFVMRQDTAE-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC1 ZINC001608384856 1351683144 /nfs/dbraw/zinc/68/31/44/1351683144.db2.gz WCZGCGNCYWIIJB-CQSZACIVSA-N -1 0 341.323 2.250 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000838804802 1372865309 /nfs/dbraw/zinc/86/53/09/1372865309.db2.gz BIEQDLJWOYUHLH-JTQLQIEISA-N -1 0 326.374 2.144 20 5 EEBDRM CN(C)c1nc2c(s1)CN(c1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC001606078503 1404763479 /nfs/dbraw/zinc/76/34/79/1404763479.db2.gz DEQUGZMQCYVZMS-UHFFFAOYSA-N -1 0 348.384 2.378 20 5 EEBDRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000920322856 770675270 /nfs/dbraw/zinc/67/52/70/770675270.db2.gz AQNWANVYIGCXMO-NTMALXAHSA-N -1 0 326.374 2.455 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CCC1CCC1 ZINC000175123667 773466871 /nfs/dbraw/zinc/46/68/71/773466871.db2.gz FLSJLPCYSGNSPH-UHFFFAOYSA-N -1 0 326.374 2.288 20 5 EEBDRM Cc1c(C(=O)NCCC(C)(C)C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818324804 785243309 /nfs/dbraw/zinc/24/33/09/785243309.db2.gz PKVCVNCBDBZOIC-UHFFFAOYSA-N -1 0 339.304 2.042 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000844218412 788907502 /nfs/dbraw/zinc/90/75/02/788907502.db2.gz NKVVLRFRYSREQQ-MRXNPFEDSA-N -1 0 336.344 2.115 20 5 EEBDRM COc1ccc([C@H](O)CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000844208029 788926146 /nfs/dbraw/zinc/92/61/46/788926146.db2.gz MCIIUEMOEBMHBP-CYBMUJFWSA-N -1 0 347.327 2.151 20 5 EEBDRM Cc1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000170657838 797933778 /nfs/dbraw/zinc/93/37/78/797933778.db2.gz PRVREGHCHNCREC-UHFFFAOYSA-N -1 0 347.805 2.492 20 5 EEBDRM Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000444674298 798434485 /nfs/dbraw/zinc/43/44/85/798434485.db2.gz KHFUZPGLDZRZOS-LLVKDONJSA-N -1 0 330.344 2.054 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc3c(c2)NC(=O)CO3)cc([N+](=O)[O-])c1 ZINC001176677110 798524825 /nfs/dbraw/zinc/52/48/25/798524825.db2.gz MHIPPLNMCYHMAY-UHFFFAOYSA-N -1 0 329.268 2.368 20 5 EEBDRM Cc1cc(Cl)nc(NCC[N-]C(=O)C(F)(F)F)c1[N+](=O)[O-] ZINC001156198991 803388755 /nfs/dbraw/zinc/38/87/55/803388755.db2.gz AMCJQIJSZNKQFJ-UHFFFAOYSA-N -1 0 326.662 2.042 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000809065943 812954578 /nfs/dbraw/zinc/95/45/78/812954578.db2.gz VFSNJVWBTKFKNO-UHFFFAOYSA-N -1 0 334.353 2.163 20 5 EEBDRM O=C([O-])c1ccc(/C=C\C(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC001595226591 949303019 /nfs/dbraw/zinc/30/30/19/949303019.db2.gz MESAEFNFZRCEMR-UTCJRWHESA-N -1 0 328.280 2.489 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001595264026 949727911 /nfs/dbraw/zinc/72/79/11/949727911.db2.gz VQFDWCZFYYJIPU-QWHCGFSZSA-N -1 0 327.296 2.430 20 5 EEBDRM C[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC001589366220 954197467 /nfs/dbraw/zinc/19/74/67/954197467.db2.gz KOKLMWMCBHMRRY-SMDDNHRTSA-N -1 0 334.372 2.442 20 5 EEBDRM O=C([O-])C1(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)CCC1 ZINC001594872052 954364528 /nfs/dbraw/zinc/36/45/28/954364528.db2.gz ONMDDRDBNXVXGP-UHFFFAOYSA-N -1 0 330.300 2.178 20 5 EEBDRM O=C([O-])C1(CCn2cc(Br)cc([N+](=O)[O-])c2=O)CCC1 ZINC001594879830 954415463 /nfs/dbraw/zinc/41/54/63/954415463.db2.gz XVAMBUZZBBUGSR-UHFFFAOYSA-N -1 0 345.149 2.164 20 5 EEBDRM Cn1cc(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c([N+](=O)[O-])n1 ZINC001594542641 955664863 /nfs/dbraw/zinc/66/48/63/955664863.db2.gz FPJQLPDIFOZICI-LBPRGKRZSA-N -1 0 344.371 2.372 20 5 EEBDRM O=C([O-])[C@@]1(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC=CCC1 ZINC001594698551 956797210 /nfs/dbraw/zinc/79/72/10/956797210.db2.gz ITZAYUNVTNYFPC-MRXNPFEDSA-N -1 0 333.296 2.132 20 5 EEBDRM Cc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])c(N)c1[N+](=O)[O-] ZINC001594369960 958538399 /nfs/dbraw/zinc/53/83/99/958538399.db2.gz TXDQKQQCKFPDKD-UHFFFAOYSA-N -1 0 329.312 2.365 20 5 EEBDRM Cc1c(C(=O)N(C)CCCC(=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001594255553 959645116 /nfs/dbraw/zinc/64/51/16/959645116.db2.gz JGJUZQNRBMPTCV-UHFFFAOYSA-N -1 0 339.304 2.057 20 5 EEBDRM CCOC(=O)c1ccnc(NCc2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC001573903519 961438632 /nfs/dbraw/zinc/43/86/32/961438632.db2.gz SUBDCUJCDXONTG-UHFFFAOYSA-N -1 0 345.311 2.477 20 5 EEBDRM CN(C)c1cc(F)c(C(=O)NCCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC001573991254 961829928 /nfs/dbraw/zinc/82/99/28/961829928.db2.gz DWBBGAMGLUTKEM-UHFFFAOYSA-N -1 0 341.339 2.175 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001574592343 962134570 /nfs/dbraw/zinc/13/45/70/962134570.db2.gz TZJQDWYPXZPGDD-TXEJJXNPSA-N -1 0 333.344 2.132 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001588963373 962639060 /nfs/dbraw/zinc/63/90/60/962639060.db2.gz QPGMKYGPUKEICC-MRXNPFEDSA-N -1 0 346.343 2.171 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001605005018 972607830 /nfs/dbraw/zinc/60/78/30/972607830.db2.gz JTEDGOVQIWYZOT-LDYMZIIASA-N -1 0 326.736 2.255 20 5 EEBDRM C[C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001603417568 973129536 /nfs/dbraw/zinc/12/95/36/973129536.db2.gz UFRRTDYIRKENRZ-GXSJLCMTSA-N -1 0 340.763 2.360 20 5 EEBDRM O=C([O-])CC[C@@H]1Cc2ccccc2N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001606135866 973385611 /nfs/dbraw/zinc/38/56/11/973385611.db2.gz WYTSYNPNRMCDDH-CYBMUJFWSA-N -1 0 344.371 2.335 20 5 EEBDRM CC(C)c1nc(CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])n(C)n1 ZINC001592020118 976709024 /nfs/dbraw/zinc/70/90/24/976709024.db2.gz PKUWPRNIJDNARI-UHFFFAOYSA-N -1 0 347.375 2.128 20 5 EEBDRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001592220151 977392046 /nfs/dbraw/zinc/39/20/46/977392046.db2.gz WQGPQHAXAPADAO-WEMAUNJASA-N -1 0 347.352 2.477 20 5 EEBDRM O=C([O-])[C@@H]1OCC[C@@H]1CNc1c(Br)cccc1[N+](=O)[O-] ZINC000716281682 977827273 /nfs/dbraw/zinc/82/72/73/977827273.db2.gz UBMHPWSDFHVKIJ-RDDDGLTNSA-N -1 0 345.149 2.259 20 5 EEBDRM C/C(=C/COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000833382088 979176382 /nfs/dbraw/zinc/17/63/82/979176382.db2.gz GGHTVHXSJQYYOR-TWGQIWQCSA-N -1 0 338.272 2.010 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000871867834 979976382 /nfs/dbraw/zinc/97/63/82/979976382.db2.gz TUTFSCBZOCGXOK-NSHDSACASA-N -1 0 334.250 2.451 20 5 EEBDRM CC[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@@H]1C ZINC001595464684 981151660 /nfs/dbraw/zinc/15/16/60/981151660.db2.gz SYWMBOIJVGAMBJ-ZJUUUORDSA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594901814 982358809 /nfs/dbraw/zinc/35/88/09/982358809.db2.gz JSINPFJYNXUOBA-AMIZOPFISA-N -1 0 344.751 2.243 20 5 EEBDRM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC001589378525 986445157 /nfs/dbraw/zinc/44/51/57/986445157.db2.gz MIWJTAYEZSGVMG-AMIZOPFISA-N -1 0 330.287 2.302 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001597142908 986894324 /nfs/dbraw/zinc/89/43/24/986894324.db2.gz PNGVHXYYGRKWCK-ZJUUUORDSA-N -1 0 337.332 2.368 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001599877271 989435408 /nfs/dbraw/zinc/43/54/08/989435408.db2.gz HLPJZVATBFMYBO-PZTHBURQSA-N -1 0 332.356 2.410 20 5 EEBDRM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001598073090 990375394 /nfs/dbraw/zinc/37/53/94/990375394.db2.gz QSWKJMHSLXFYFT-VHSXEESVSA-N -1 0 347.352 2.402 20 5 EEBDRM CC(C)(NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001590855132 990739395 /nfs/dbraw/zinc/73/93/95/990739395.db2.gz XGQJJIGOEYBTNT-RLFDGXBXSA-N -1 0 347.371 2.382 20 5 EEBDRM CC(C)[C@]1(C)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001591061863 991505144 /nfs/dbraw/zinc/50/51/44/991505144.db2.gz PHWCKWATDVFXNC-OCCSQVGLSA-N -1 0 342.373 2.006 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001599622359 994102154 /nfs/dbraw/zinc/10/21/54/994102154.db2.gz IGCHUSNKKHDNMA-UHFFFAOYSA-N -1 0 346.299 2.018 20 5 EEBDRM COc1cccc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)c1[N+](=O)[O-] ZINC001599640345 994349148 /nfs/dbraw/zinc/34/91/48/994349148.db2.gz FXABLNWHBOPMLJ-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM CC1(C(=O)CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCC1 ZINC001593742616 996361186 /nfs/dbraw/zinc/36/11/86/996361186.db2.gz BSMMJQGMAOLTSK-UHFFFAOYSA-N -1 0 334.328 2.172 20 5 EEBDRM COc1ccc(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1O ZINC001599548606 997966744 /nfs/dbraw/zinc/96/67/44/997966744.db2.gz KINUTNJRAGKGLH-UHFFFAOYSA-N -1 0 346.295 2.188 20 5 EEBDRM CC1=C(C(=O)[O-])[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1 ZINC001594098649 998085180 /nfs/dbraw/zinc/08/51/80/998085180.db2.gz XQCNPZVQBAAFKV-JTQLQIEISA-N -1 0 327.749 2.126 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(C(=O)[O-])c(OC)c2)n1 ZINC001598987759 998709782 /nfs/dbraw/zinc/70/97/82/998709782.db2.gz JAJRVUCFNJDWKK-UHFFFAOYSA-N -1 0 348.267 2.276 20 5 EEBDRM C[C@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001594359245 999357318 /nfs/dbraw/zinc/35/73/18/999357318.db2.gz CONLPQYZQREVJD-VHSXEESVSA-N -1 0 342.373 2.008 20 5 EEBDRM C[C@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1F ZINC001594431992 999607805 /nfs/dbraw/zinc/60/78/05/999607805.db2.gz PABOEMLTLQQFHV-OIBJUYFYSA-N -1 0 327.268 2.386 20 5 EEBDRM COCCn1nc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000179539859 233146294 /nfs/dbraw/zinc/14/62/94/233146294.db2.gz OQPZZEKAMMSXEF-UHFFFAOYSA-N -1 0 334.332 2.012 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000038107675 213202830 /nfs/dbraw/zinc/20/28/30/213202830.db2.gz MIRZQQLLYWQZCQ-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM Cc1cnc(CCN(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000191632477 239223009 /nfs/dbraw/zinc/22/30/09/239223009.db2.gz IQZYYQYWLXCBBK-UHFFFAOYSA-N -1 0 349.368 2.373 20 5 EEBDRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000191808966 239310813 /nfs/dbraw/zinc/31/08/13/239310813.db2.gz BTGUAPVXPDFXFX-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM CCCCCC[C@](C)(NC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-] ZINC000236729387 242337233 /nfs/dbraw/zinc/33/72/33/242337233.db2.gz HGYPNKXKUHAEJI-HNNXBMFYSA-N -1 0 340.380 2.180 20 5 EEBDRM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CCC(=O)[O-])CC1 ZINC000236731423 242337798 /nfs/dbraw/zinc/33/77/98/242337798.db2.gz SNNBDYNDGHWBID-UHFFFAOYSA-N -1 0 349.387 2.378 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000237557798 296104965 /nfs/dbraw/zinc/10/49/65/296104965.db2.gz SGFOFDGHIUFTJX-SDDRHHMPSA-N -1 0 349.387 2.280 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000347621247 296105052 /nfs/dbraw/zinc/10/50/52/296105052.db2.gz OKDFMQRCLARXIO-WDEREUQCSA-N -1 0 335.360 2.034 20 5 EEBDRM CCC(CC)(CNC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000236834223 242376998 /nfs/dbraw/zinc/37/69/98/242376998.db2.gz NWOFDXKIXRHSNF-UHFFFAOYSA-N -1 0 337.376 2.404 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263421761 245415122 /nfs/dbraw/zinc/41/51/22/245415122.db2.gz IYSMKZORXJOAHX-MRXNPFEDSA-N -1 0 335.360 2.253 20 5 EEBDRM CC(C)Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000080093845 217278591 /nfs/dbraw/zinc/27/85/91/217278591.db2.gz XEGQABMBVZJJLS-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM CC(C)Cn1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000266648302 248397612 /nfs/dbraw/zinc/39/76/12/248397612.db2.gz XZZWNJXQHNBAIQ-UHFFFAOYSA-N -1 0 342.352 2.387 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000095352027 218285997 /nfs/dbraw/zinc/28/59/97/218285997.db2.gz QGNKTAUPORMBPX-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](OCc2ccccn2)C1 ZINC000269094866 255528123 /nfs/dbraw/zinc/52/81/23/255528123.db2.gz IPUZQMXVXZOFMH-CYBMUJFWSA-N -1 0 343.339 2.127 20 5 EEBDRM COCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000271290641 256229740 /nfs/dbraw/zinc/22/97/40/256229740.db2.gz BMZRCODTTZRWAX-UHFFFAOYSA-N -1 0 347.327 2.363 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000272941109 256250767 /nfs/dbraw/zinc/25/07/67/256250767.db2.gz VJFIAVMIZUQXII-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM O=C(Nc1cccc(-n2ccnn2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000120475457 142391125 /nfs/dbraw/zinc/39/11/25/142391125.db2.gz SXKSQXVYNYFVTI-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000262932176 152340247 /nfs/dbraw/zinc/34/02/47/152340247.db2.gz KFAPSKLCCNCPNX-SECBINFHSA-N -1 0 326.374 2.500 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2cccnc2)[nH]n1 ZINC000131364306 292386694 /nfs/dbraw/zinc/38/66/94/292386694.db2.gz IGMLZDIUPVIOPO-UHFFFAOYSA-N -1 0 345.340 2.181 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCOc2cc(O)ccc2C1 ZINC000342795442 161091666 /nfs/dbraw/zinc/09/16/66/161091666.db2.gz NFIYRSNDDIXBOA-UHFFFAOYSA-N -1 0 330.296 2.041 20 5 EEBDRM COc1ccc(Cn2cc([N-]c3ncc([N+](=O)[O-])cn3)cn2)cc1 ZINC000343659760 161155788 /nfs/dbraw/zinc/15/57/88/161155788.db2.gz BMGBRXWGWOXPDF-UHFFFAOYSA-N -1 0 326.316 2.382 20 5 EEBDRM CO[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000350077635 161689072 /nfs/dbraw/zinc/68/90/72/161689072.db2.gz QKPMBQLQUZRIEG-HNNXBMFYSA-N -1 0 344.323 2.411 20 5 EEBDRM CCc1ncc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000359091663 164056732 /nfs/dbraw/zinc/05/67/32/164056732.db2.gz VRFOFLVLOIKTQT-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccco3)o2)cc1 ZINC000153768060 292510977 /nfs/dbraw/zinc/51/09/77/292510977.db2.gz GPMUMMFNQKGDGA-UHFFFAOYSA-N -1 0 336.285 2.039 20 5 EEBDRM O=C(NCc1ccc(OCC2CC2)nc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164448608 226073396 /nfs/dbraw/zinc/07/33/96/226073396.db2.gz GVZFBKTZASFBGH-UHFFFAOYSA-N -1 0 343.339 2.414 20 5 EEBDRM O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000275035970 269087163 /nfs/dbraw/zinc/08/71/63/269087163.db2.gz JGHIYRDYNAMSCD-MEBBXXQBSA-N -1 0 338.385 2.085 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-] ZINC000275054840 269089879 /nfs/dbraw/zinc/08/98/79/269089879.db2.gz HKXICLSAVCHTGK-JTQLQIEISA-N -1 0 344.389 2.071 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000179155352 274003225 /nfs/dbraw/zinc/00/32/25/274003225.db2.gz KOOSADAEOVYMFC-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM COCc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000285041010 274669713 /nfs/dbraw/zinc/66/97/13/274669713.db2.gz JBPBIDMCOQLPRT-UHFFFAOYSA-N -1 0 343.386 2.307 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c1[N+](=O)[O-] ZINC000288726393 275082591 /nfs/dbraw/zinc/08/25/91/275082591.db2.gz ZIFPMEHNNZVIMJ-MRVPVSSYSA-N -1 0 326.296 2.441 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000164498002 311389320 /nfs/dbraw/zinc/38/93/20/311389320.db2.gz BZQFMGYYENMJGA-UHFFFAOYSA-N -1 0 342.764 2.335 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)cc1 ZINC000171014326 311399983 /nfs/dbraw/zinc/39/99/83/311399983.db2.gz LFIGUJXWFMWXJL-UHFFFAOYSA-N -1 0 346.324 2.446 20 5 EEBDRM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000332449233 312009208 /nfs/dbraw/zinc/00/92/08/312009208.db2.gz LXLAOUUZZKIEAY-ZEGGKSINSA-N -1 0 346.380 2.072 20 5 EEBDRM O=C(NC1(CO)C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000413964339 312943760 /nfs/dbraw/zinc/94/37/60/312943760.db2.gz ZSYMGHDRBBABDH-UHFFFAOYSA-N -1 0 346.383 2.217 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000416440332 313223957 /nfs/dbraw/zinc/22/39/57/313223957.db2.gz CWGVGGLVQXOJTL-SMDDNHRTSA-N -1 0 335.360 2.025 20 5 EEBDRM CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000431188553 314618839 /nfs/dbraw/zinc/61/88/39/314618839.db2.gz WPIFRYNRQITJTP-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM CNC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000436599119 314979700 /nfs/dbraw/zinc/97/97/00/314979700.db2.gz CDWAIWNNEHXMFL-UHFFFAOYSA-N -1 0 348.290 2.443 20 5 EEBDRM Cn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2c1=O ZINC000436728918 314992961 /nfs/dbraw/zinc/99/29/61/314992961.db2.gz DKKMLZCLQFGSSG-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000436791509 314998951 /nfs/dbraw/zinc/99/89/51/314998951.db2.gz JUWVYJOMYNVGJY-GFCCVEGCSA-N -1 0 338.360 2.397 20 5 EEBDRM CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000436873044 315008112 /nfs/dbraw/zinc/00/81/12/315008112.db2.gz YRCMVIAQRJUROB-UHFFFAOYSA-N -1 0 344.371 2.472 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])CC2 ZINC000436891719 315010233 /nfs/dbraw/zinc/01/02/33/315010233.db2.gz YMPRAROKROFRIY-LBPRGKRZSA-N -1 0 344.371 2.365 20 5 EEBDRM COC(=O)Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436945413 315014920 /nfs/dbraw/zinc/01/49/20/315014920.db2.gz FVLIQVUJRXQOET-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM COc1cccc(COCCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436958139 315016410 /nfs/dbraw/zinc/01/64/10/315016410.db2.gz ZQCQBVAYDGIGCK-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C(=O)[O-])cc1F ZINC000439713236 315092799 /nfs/dbraw/zinc/09/27/99/315092799.db2.gz HYECJIGFSDREDO-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000078491378 441937075 /nfs/dbraw/zinc/93/70/75/441937075.db2.gz VVEOKLMLRQUTGE-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM CNC(=O)Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000495699378 316060976 /nfs/dbraw/zinc/06/09/76/316060976.db2.gz BAUVURCAFYMHCM-UHFFFAOYSA-N -1 0 331.284 2.271 20 5 EEBDRM CCc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000525459367 317059674 /nfs/dbraw/zinc/05/96/74/317059674.db2.gz BQTHTKSBZVPLQR-UHFFFAOYSA-N -1 0 345.764 2.277 20 5 EEBDRM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)c([O-])c(F)c1 ZINC000545147094 318203871 /nfs/dbraw/zinc/20/38/71/318203871.db2.gz IUELTMAAEPCZBX-UHFFFAOYSA-N -1 0 338.266 2.387 20 5 EEBDRM COC(=O)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000547800170 318324235 /nfs/dbraw/zinc/32/42/35/318324235.db2.gz ZAVYCLNOGMMFCN-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM O=C([O-])c1cc(N2CCN(Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000557221834 318675495 /nfs/dbraw/zinc/67/54/95/318675495.db2.gz DZLCYLXGPQPVSF-UHFFFAOYSA-N -1 0 331.328 2.208 20 5 EEBDRM CC(C)OC(=O)[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566680198 319311665 /nfs/dbraw/zinc/31/16/65/319311665.db2.gz AEXRMGGWNFZQIX-ZETCQYMHSA-N -1 0 330.724 2.024 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(C(=O)[O-])c(OC)c1 ZINC000570635560 319683186 /nfs/dbraw/zinc/68/31/86/319683186.db2.gz MWOPGZBXVUXESP-UHFFFAOYSA-N -1 0 334.332 2.439 20 5 EEBDRM Cc1cc(N2CCC[C@@H](n3ccnn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572647272 319865362 /nfs/dbraw/zinc/86/53/62/319865362.db2.gz HFWMPHQCKGIJSU-LLVKDONJSA-N -1 0 331.332 2.034 20 5 EEBDRM C[C@H](N1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000573123426 319907060 /nfs/dbraw/zinc/90/70/60/319907060.db2.gz FXXRKVLQMGYHBL-VIFPVBQESA-N -1 0 347.293 2.366 20 5 EEBDRM COc1ccc2c(c1)OC[C@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000574281025 320012239 /nfs/dbraw/zinc/01/22/39/320012239.db2.gz SYBBSQAVNAYPIJ-LLVKDONJSA-N -1 0 345.311 2.112 20 5 EEBDRM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cn3)CC2)c1[N+](=O)[O-] ZINC000575319959 320100583 /nfs/dbraw/zinc/10/05/83/320100583.db2.gz JAZBFCLIZLXHLP-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)[C@@H](O)Cc2ccccc2)n1 ZINC000576351161 320164050 /nfs/dbraw/zinc/16/40/50/320164050.db2.gz RXGVMOWMSOCYKO-RISCZKNCSA-N -1 0 345.355 2.400 20 5 EEBDRM O=C([O-])c1cc(NC[C@@H]2CCCN2c2cccnn2)ccc1[N+](=O)[O-] ZINC000577399370 320253810 /nfs/dbraw/zinc/25/38/10/320253810.db2.gz JMKCMPLFFDMKDG-LBPRGKRZSA-N -1 0 343.343 2.164 20 5 EEBDRM Cn1nccc1C1=CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000580894250 324148994 /nfs/dbraw/zinc/14/89/94/324148994.db2.gz DBJGXOPPZAUOTN-UHFFFAOYSA-N -1 0 328.328 2.320 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@H](CO)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000583937398 324763183 /nfs/dbraw/zinc/76/31/83/324763183.db2.gz LSLHVZVSUIVIHF-LLVKDONJSA-N -1 0 349.318 2.090 20 5 EEBDRM C[C@@H](c1ccccc1)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(N)=O ZINC000339210548 465144205 /nfs/dbraw/zinc/14/42/05/465144205.db2.gz MHYNIRYEFPZHFW-MEDUHNTESA-N -1 0 329.356 2.048 20 5 EEBDRM O=C(Nc1cccc(N2CCNC2=O)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356329254 465315413 /nfs/dbraw/zinc/31/54/13/465315413.db2.gz RWTZVKILYFEPJS-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)on1 ZINC000114499176 462657183 /nfs/dbraw/zinc/65/71/83/462657183.db2.gz DNIWFBYBWRMBQF-UHFFFAOYSA-N -1 0 343.336 2.324 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000579106516 468310939 /nfs/dbraw/zinc/31/09/39/468310939.db2.gz VRGWCRHVHVIARM-AWEZNQCLSA-N -1 0 344.389 2.071 20 5 EEBDRM Cn1cnnc1-c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000130393561 462753098 /nfs/dbraw/zinc/75/30/98/462753098.db2.gz JNUNQVYEBAMCRG-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000013225133 462887666 /nfs/dbraw/zinc/88/76/66/462887666.db2.gz CNHOVHMGPSBIPW-OBJOEFQTSA-N -1 0 348.355 2.218 20 5 EEBDRM C[C@@H]1Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2NC1=O ZINC000029770913 463272808 /nfs/dbraw/zinc/27/28/08/463272808.db2.gz NLJLTFLOKMNDDN-QMMMGPOBSA-N -1 0 343.295 2.272 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(C)n1 ZINC000160663434 463360473 /nfs/dbraw/zinc/36/04/73/463360473.db2.gz UVRMIZXHDRUNMK-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000568586578 468357715 /nfs/dbraw/zinc/35/77/15/468357715.db2.gz CHWRLDFHRODXEB-ZDUSSCGKSA-N -1 0 349.368 2.324 20 5 EEBDRM Cc1nscc1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000170072903 463674231 /nfs/dbraw/zinc/67/42/31/463674231.db2.gz DJQHMJXGDWJIRO-UHFFFAOYSA-N -1 0 330.329 2.397 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n(C)n1 ZINC000127257038 463691988 /nfs/dbraw/zinc/69/19/88/463691988.db2.gz AFOQVNISWLIFFJ-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM Cc1cc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000261751626 463848319 /nfs/dbraw/zinc/84/83/19/463848319.db2.gz UWIBHOQZLPYTNN-ZDUSSCGKSA-N -1 0 346.261 2.382 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)o1 ZINC000194795478 463929883 /nfs/dbraw/zinc/92/98/83/463929883.db2.gz TWMBPRLNQUIJIG-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM CCC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262106766 463948270 /nfs/dbraw/zinc/94/82/70/463948270.db2.gz GFCYOVXSGWXWBZ-VIFPVBQESA-N -1 0 345.149 2.340 20 5 EEBDRM CCC[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262198930 463971399 /nfs/dbraw/zinc/97/13/99/463971399.db2.gz VRVJBXRUEKBJNF-CABZTGNLSA-N -1 0 326.374 2.445 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])CC2 ZINC000262483640 464030412 /nfs/dbraw/zinc/03/04/12/464030412.db2.gz VAPKMDIZTLKDMN-LBPRGKRZSA-N -1 0 347.371 2.110 20 5 EEBDRM CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](c2ccccc2)C1 ZINC000179406836 464130747 /nfs/dbraw/zinc/13/07/47/464130747.db2.gz NIZWDGWHOGFASU-MRXNPFEDSA-N -1 0 341.367 2.429 20 5 EEBDRM Cc1ccc2[nH]c(CNC(=O)c3ccc([N+](=O)[O-])cc3[O-])nc2c1 ZINC000187563790 464141422 /nfs/dbraw/zinc/14/14/22/464141422.db2.gz WOXWBCYOYVVANC-UHFFFAOYSA-N -1 0 326.312 2.415 20 5 EEBDRM O=C(Nc1cnn(CC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179506943 464148459 /nfs/dbraw/zinc/14/84/59/464148459.db2.gz URFLPANCYMBQFN-UHFFFAOYSA-N -1 0 330.222 2.312 20 5 EEBDRM CC(C)(NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000236690096 464220105 /nfs/dbraw/zinc/22/01/05/464220105.db2.gz QRLUAZVAPRIBDA-UHFFFAOYSA-N -1 0 335.341 2.311 20 5 EEBDRM COC(=O)CSCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272225759 464525991 /nfs/dbraw/zinc/52/59/91/464525991.db2.gz LHPDNGMICKIWIJ-UHFFFAOYSA-N -1 0 348.764 2.189 20 5 EEBDRM CCn1cc([C@@H](C)NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000295239713 464757896 /nfs/dbraw/zinc/75/78/96/464757896.db2.gz DKQMBUKGDGQQDP-LLVKDONJSA-N -1 0 338.389 2.159 20 5 EEBDRM O=C(Nc1cnn(Cc2ccncc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356506083 465422920 /nfs/dbraw/zinc/42/29/20/465422920.db2.gz QMSZNRFLEZSZRX-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593921670 468435647 /nfs/dbraw/zinc/43/56/47/468435647.db2.gz GMNIVOLQXKMHDT-VIFPVBQESA-N -1 0 345.149 2.293 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000597159239 468463576 /nfs/dbraw/zinc/46/35/76/468463576.db2.gz JPRJHMUTUCJQSW-ZIAGYGMSSA-N -1 0 334.328 2.077 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000597159235 468463640 /nfs/dbraw/zinc/46/36/40/468463640.db2.gz JPRJHMUTUCJQSW-KBPBESRZSA-N -1 0 334.328 2.077 20 5 EEBDRM Cc1nc(C=Cc2ccc([N+](=O)[O-])cc2F)[nH]c(=O)c1CC(=O)[O-] ZINC000349115906 465978569 /nfs/dbraw/zinc/97/85/69/465978569.db2.gz XZXTZIPUWAQLMQ-HWKANZROSA-N -1 0 333.275 2.335 20 5 EEBDRM O=c1nc(CCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)[nH][n-]1 ZINC000301557801 465985990 /nfs/dbraw/zinc/98/59/90/465985990.db2.gz SVMJFWVTPPQDOB-UHFFFAOYSA-N -1 0 331.254 2.070 20 5 EEBDRM CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c[nH]1 ZINC000591532892 468480197 /nfs/dbraw/zinc/48/01/97/468480197.db2.gz JHPAEOGPLNNBJV-UHFFFAOYSA-N -1 0 332.316 2.364 20 5 EEBDRM COC[C@](C)(NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000340684969 466262800 /nfs/dbraw/zinc/26/28/00/466262800.db2.gz UNISZSSAVHLGEN-INIZCTEOSA-N -1 0 334.328 2.434 20 5 EEBDRM CCN(CC(=O)N1CCCCCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000331910642 466300764 /nfs/dbraw/zinc/30/07/64/466300764.db2.gz ATBOZPYHFFGMSU-UHFFFAOYSA-N -1 0 349.387 2.165 20 5 EEBDRM COCCc1nc(=NCCc2ccc(Cl)cc2[N+](=O)[O-])s[n-]1 ZINC000349918939 466308468 /nfs/dbraw/zinc/30/84/68/466308468.db2.gz VUHBDTPPLKALSN-UHFFFAOYSA-N -1 0 342.808 2.365 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccon1 ZINC000340834499 466371720 /nfs/dbraw/zinc/37/17/20/466371720.db2.gz WVSUJJHMSCWOLR-SSDOTTSWSA-N -1 0 331.737 2.276 20 5 EEBDRM Cc1nc(=NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])s[n-]1 ZINC000362140440 466584102 /nfs/dbraw/zinc/58/41/02/466584102.db2.gz SNLFDRNOGLHLLD-LURJTMIESA-N -1 0 342.764 2.236 20 5 EEBDRM Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000321053525 466617157 /nfs/dbraw/zinc/61/71/57/466617157.db2.gz WGZIFVRISAABQB-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM C[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000424252027 467013136 /nfs/dbraw/zinc/01/31/36/467013136.db2.gz JWNJACSUQKOMEW-IAQYHMDHSA-N -1 0 336.344 2.075 20 5 EEBDRM Nc1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000378474404 467314818 /nfs/dbraw/zinc/31/48/18/467314818.db2.gz MYERYFRPGFTOAV-CYBMUJFWSA-N -1 0 341.323 2.001 20 5 EEBDRM CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000436675936 467550336 /nfs/dbraw/zinc/55/03/36/467550336.db2.gz YSHDPEDDPUMCHF-UHFFFAOYSA-N -1 0 344.371 2.472 20 5 EEBDRM COC(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436774578 467554143 /nfs/dbraw/zinc/55/41/43/467554143.db2.gz TZZZOIJJJWBBDO-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM CC(C)[C@@H](CO)[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(C)C ZINC000515655535 468000370 /nfs/dbraw/zinc/00/03/70/468000370.db2.gz KHAHCRPADFLZMV-VXGBXAGGSA-N -1 0 325.365 2.389 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)CC2 ZINC000488358246 468082633 /nfs/dbraw/zinc/08/26/33/468082633.db2.gz RBNDLEADVSGBAV-ZDUSSCGKSA-N -1 0 344.371 2.365 20 5 EEBDRM CC(C)(C)OC(=O)N[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000496311615 468158539 /nfs/dbraw/zinc/15/85/39/468158539.db2.gz UFNTXWPWWOKYOD-KYZUINATSA-N -1 0 325.321 2.135 20 5 EEBDRM CCc1nc(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cs1 ZINC000567739505 468200448 /nfs/dbraw/zinc/20/04/48/468200448.db2.gz SHRJLAGJEMBINZ-UHFFFAOYSA-N -1 0 336.373 2.670 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1noc(C(F)F)n1 ZINC000591782593 468520514 /nfs/dbraw/zinc/52/05/14/468520514.db2.gz BGWKWRQHXFDMNU-RXMQYKEDSA-N -1 0 328.231 2.112 20 5 EEBDRM COC(=O)C[C@@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000582787614 468595682 /nfs/dbraw/zinc/59/56/82/468595682.db2.gz NOXFDTSUVBIOLN-VIFPVBQESA-N -1 0 342.735 2.122 20 5 EEBDRM CCC(C)(C)CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000600655452 468611503 /nfs/dbraw/zinc/61/15/03/468611503.db2.gz PESLSRCOOROYFX-UHFFFAOYSA-N -1 0 330.362 2.471 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nccc(C2CC2)n1 ZINC000600667177 468614785 /nfs/dbraw/zinc/61/47/85/468614785.db2.gz BEELJTTZWWLWOU-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1N1CCN(c2ncc(C(=O)[O-])s2)CC1 ZINC000583027613 468632216 /nfs/dbraw/zinc/63/22/16/468632216.db2.gz VVQOYFIPJLIHOE-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM C[C@H]1[C@H](C(F)(F)F)OCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000594735681 468668262 /nfs/dbraw/zinc/66/82/62/468668262.db2.gz MZDHVDOOOSDPPI-WRWORJQWSA-N -1 0 334.250 2.449 20 5 EEBDRM O=C(NCc1cccnc1N1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000597939923 468718120 /nfs/dbraw/zinc/71/81/20/468718120.db2.gz DMXVYIITDUGQME-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000595252264 468793375 /nfs/dbraw/zinc/79/33/75/468793375.db2.gz WHNYAKJCGBUDOB-CJNGLKHVSA-N -1 0 335.360 2.156 20 5 EEBDRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000595252485 468793771 /nfs/dbraw/zinc/79/37/71/468793771.db2.gz ZWAABXCWIUOECB-LRDDRELGSA-N -1 0 331.328 2.449 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(Cc3ccccn3)CC2)c1 ZINC000592967862 468829907 /nfs/dbraw/zinc/82/99/07/468829907.db2.gz LZNLWKQDNYJCST-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM COc1ccc(CN(C)c2nc(C(=O)[O-])ccc2[N+](=O)[O-])c(OC)c1 ZINC000592966663 468830002 /nfs/dbraw/zinc/83/00/02/468830002.db2.gz LBZMQMFAOFZEPL-UHFFFAOYSA-N -1 0 347.327 2.342 20 5 EEBDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccncc1[N+](=O)[O-] ZINC000592980983 468833701 /nfs/dbraw/zinc/83/37/01/468833701.db2.gz JQRKPOKVMZFIRV-GFCCVEGCSA-N -1 0 342.355 2.403 20 5 EEBDRM CNC(=O)CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCCC1 ZINC000598386366 468850366 /nfs/dbraw/zinc/85/03/66/468850366.db2.gz QIXLDPLITCAVLR-UHFFFAOYSA-N -1 0 349.387 2.117 20 5 EEBDRM Cc1cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)c2cccc([N+](=O)[O-])c2n1 ZINC000595977790 469105268 /nfs/dbraw/zinc/10/52/68/469105268.db2.gz IEXIZIBTZJCDRQ-GAJTVXKRSA-N -1 0 331.328 2.087 20 5 EEBDRM CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](C)C(=O)[O-] ZINC000596002438 469112772 /nfs/dbraw/zinc/11/27/72/469112772.db2.gz ZCEONGZMHVBKQA-GFCCVEGCSA-N -1 0 349.387 2.133 20 5 EEBDRM CC(C)OC(=O)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000573494494 469146285 /nfs/dbraw/zinc/14/62/85/469146285.db2.gz SLDBEUXHDDURDY-UHFFFAOYSA-N -1 0 330.724 2.025 20 5 EEBDRM C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000573569277 469163442 /nfs/dbraw/zinc/16/34/42/469163442.db2.gz PQZDZNAYJQBULT-GXSJLCMTSA-N -1 0 342.373 2.150 20 5 EEBDRM CO[C@H]1C[C@@H](CC(=O)[O-])N(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000563213504 469199899 /nfs/dbraw/zinc/19/98/99/469199899.db2.gz ZPOZRIWTRNEIQU-QWRGUYRKSA-N -1 0 331.328 2.211 20 5 EEBDRM CO[C@H](C)c1nc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cs1 ZINC000573971837 469238933 /nfs/dbraw/zinc/23/89/33/469238933.db2.gz XEBKBEJDQGVKJU-SSDOTTSWSA-N -1 0 338.345 2.464 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C)c1O ZINC000619467732 469616614 /nfs/dbraw/zinc/61/66/14/469616614.db2.gz ZJJUQZJRZFYJIL-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM C[C@@](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC000619644354 469656554 /nfs/dbraw/zinc/65/65/54/469656554.db2.gz MOTNCCGKDVSIKS-SFHVURJKSA-N -1 0 342.351 2.296 20 5 EEBDRM O=C(NC[C@@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613954414 469821839 /nfs/dbraw/zinc/82/18/39/469821839.db2.gz MFUQRSRLBKXKEX-INIZCTEOSA-N -1 0 328.324 2.344 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000613978562 469826698 /nfs/dbraw/zinc/82/66/98/469826698.db2.gz NLRDJLNQYNPLJA-CPCISQLKSA-N -1 0 334.250 2.092 20 5 EEBDRM O=C([O-])c1cccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000534903053 485551729 /nfs/dbraw/zinc/55/17/29/485551729.db2.gz OALPTLTWHJTMOK-UHFFFAOYSA-N -1 0 330.296 2.102 20 5 EEBDRM Cc1noc([C@@H]2CCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)n1 ZINC000164314504 534448255 /nfs/dbraw/zinc/44/82/55/534448255.db2.gz VWAHQHSJOXMTRR-LLVKDONJSA-N -1 0 332.316 2.012 20 5 EEBDRM CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160177583 528541533 /nfs/dbraw/zinc/54/15/33/528541533.db2.gz CXSRFBCACKQFBV-ZDUSSCGKSA-N -1 0 349.387 2.069 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000236859376 535664247 /nfs/dbraw/zinc/66/42/47/535664247.db2.gz IVCFQRIQVQSDQI-QMTHXVAHSA-N -1 0 346.343 2.010 20 5 EEBDRM Cc1nccc([C@H]2CCCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C2)n1 ZINC000738372161 578011433 /nfs/dbraw/zinc/01/14/33/578011433.db2.gz XXZFKQLTIBBVKF-NSHDSACASA-N -1 0 343.343 2.170 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000739370043 576009313 /nfs/dbraw/zinc/00/93/13/576009313.db2.gz CKEMQDBFRPFSBW-GFCCVEGCSA-N -1 0 335.703 2.199 20 5 EEBDRM Cc1nn(CCC(=O)O[C@H](C(=O)[O-])c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000738922471 576130882 /nfs/dbraw/zinc/13/08/82/576130882.db2.gz JAEOVHQPECDBSD-HNNXBMFYSA-N -1 0 347.327 2.167 20 5 EEBDRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000731577812 577108858 /nfs/dbraw/zinc/10/88/58/577108858.db2.gz OGGNPUDTURYKIL-UHFFFAOYSA-N -1 0 344.258 2.330 20 5 EEBDRM O=C([N-]S(=O)(=O)CC1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000733704110 577254456 /nfs/dbraw/zinc/25/44/56/577254456.db2.gz XDICOMGGHWSLNT-UHFFFAOYSA-N -1 0 340.382 2.279 20 5 EEBDRM CC(C)(C)OC(=O)N1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773521056 577347887 /nfs/dbraw/zinc/34/78/87/577347887.db2.gz JIXYWPMOOHTBQC-UHFFFAOYSA-N -1 0 337.332 2.298 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000769103802 577569725 /nfs/dbraw/zinc/56/97/25/577569725.db2.gz BSTPBMBCCHHFGJ-CYBMUJFWSA-N -1 0 328.328 2.206 20 5 EEBDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000759579176 577645834 /nfs/dbraw/zinc/64/58/34/577645834.db2.gz JRYKATUIKFFEJJ-UHFFFAOYSA-N -1 0 348.277 2.138 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC23CCC3)cc([N+](=O)[O-])c1C ZINC000759814817 577650998 /nfs/dbraw/zinc/65/09/98/577650998.db2.gz FGOWPPUYIPJXRA-GFCCVEGCSA-N -1 0 338.385 2.207 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCNc1ccccc1 ZINC000760596558 577666542 /nfs/dbraw/zinc/66/65/42/577666542.db2.gz OHCDJUUYNLXCKN-UHFFFAOYSA-N -1 0 339.348 2.124 20 5 EEBDRM C/C=C(/C)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000760964022 577673191 /nfs/dbraw/zinc/67/31/91/577673191.db2.gz OWGOFLBRFFQGCT-DAXSKMNVSA-N -1 0 332.765 2.328 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000761426627 577683628 /nfs/dbraw/zinc/68/36/28/577683628.db2.gz CDBRNQXSHSDFHV-SECBINFHSA-N -1 0 344.389 2.091 20 5 EEBDRM C[C@@H](CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000762736040 577706764 /nfs/dbraw/zinc/70/67/64/577706764.db2.gz NOAUIYYCZZVNHP-NSHDSACASA-N -1 0 340.401 2.020 20 5 EEBDRM O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755100007 577819546 /nfs/dbraw/zinc/81/95/46/577819546.db2.gz UAEZFSDDWDTOKO-UHFFFAOYSA-N -1 0 340.295 2.444 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000755968629 577835446 /nfs/dbraw/zinc/83/54/46/577835446.db2.gz CUEYAEWIVWHWJZ-UHFFFAOYSA-N -1 0 348.380 2.205 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000757426226 577859554 /nfs/dbraw/zinc/85/95/54/577859554.db2.gz RDAVQQIZDHTJGP-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM Cc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000738560937 578019393 /nfs/dbraw/zinc/01/93/93/578019393.db2.gz NWCVGXAKXUZOTC-MRXNPFEDSA-N -1 0 342.351 2.430 20 5 EEBDRM Cc1sc(C(=O)N(C)c2nc(CC(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC000738989137 578033754 /nfs/dbraw/zinc/03/37/54/578033754.db2.gz CHEOOKJDYSZLIZ-UHFFFAOYSA-N -1 0 341.370 2.325 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000739425732 578053035 /nfs/dbraw/zinc/05/30/35/578053035.db2.gz GYJRKNFUIJAPIV-UHFFFAOYSA-N -1 0 345.311 2.494 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cnc3ccccc3n2)cc([N+](=O)[O-])c1 ZINC000740089474 578080414 /nfs/dbraw/zinc/08/04/14/578080414.db2.gz YNCSGXUONSTTCA-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM CC(C)N1C[C@@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000736474414 578206608 /nfs/dbraw/zinc/20/66/08/578206608.db2.gz MDCKBYZZPZBSII-QMMMGPOBSA-N -1 0 341.751 2.368 20 5 EEBDRM CS[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737179870 578242505 /nfs/dbraw/zinc/24/25/05/578242505.db2.gz NRGAOUWCVAILMB-WCBMZHEXSA-N -1 0 335.393 2.256 20 5 EEBDRM CCOc1ccc(C[C@H](CNc2c([N+](=O)[O-])ncn2C)C(=O)[O-])cc1 ZINC000737206081 578243610 /nfs/dbraw/zinc/24/36/10/578243610.db2.gz XVIBOOLKNOMPRV-GFCCVEGCSA-N -1 0 348.359 2.082 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738887529 578263319 /nfs/dbraw/zinc/26/33/19/578263319.db2.gz BXXZQZVYMCMIKB-UHFFFAOYSA-N -1 0 330.300 2.318 20 5 EEBDRM O=C([O-])[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000821512147 598124253 /nfs/dbraw/zinc/12/42/53/598124253.db2.gz BMJPYMQKAWIEPS-OAHLLOKOSA-N -1 0 332.312 2.140 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1 ZINC000833126686 600976346 /nfs/dbraw/zinc/97/63/46/600976346.db2.gz OUARTQPOOIQZOL-LBPRGKRZSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([O-])CN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000833244897 601141834 /nfs/dbraw/zinc/14/18/34/601141834.db2.gz KJCRWILGDMRLBR-UHFFFAOYSA-N -1 0 348.286 2.231 20 5 EEBDRM CC1(C)CCC[C@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000828065038 601410129 /nfs/dbraw/zinc/41/01/29/601410129.db2.gz JPSRCQRLVCBIRV-CYBMUJFWSA-N -1 0 335.360 2.400 20 5 EEBDRM C[C@@]1(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000828107120 601560834 /nfs/dbraw/zinc/56/08/34/601560834.db2.gz PDUMRVNSGKDDAW-ZDUSSCGKSA-N -1 0 325.277 2.182 20 5 EEBDRM CC[C@H]1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829133820 601562949 /nfs/dbraw/zinc/56/29/49/601562949.db2.gz FRIAMLSVFKCUKG-MNOVXSKESA-N -1 0 335.360 2.034 20 5 EEBDRM CCN(Cc1ccccn1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000829727877 601665006 /nfs/dbraw/zinc/66/50/06/601665006.db2.gz IPVXTNBUVQDUKB-UHFFFAOYSA-N -1 0 329.312 2.350 20 5 EEBDRM O=C([O-])c1coc(C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000833340141 604718508 /nfs/dbraw/zinc/71/85/08/604718508.db2.gz SZMNCCDMEMIUBO-UHFFFAOYSA-N -1 0 342.267 2.027 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC000827097584 604904908 /nfs/dbraw/zinc/90/49/08/604904908.db2.gz RRQYNGXQKSSLAB-CYBMUJFWSA-N -1 0 346.343 2.339 20 5 EEBDRM CCc1ccc(OCC(=O)CC[N-]C(=O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000865357260 1198183450 /nfs/dbraw/zinc/18/34/50/1198183450.db2.gz IFZZHPAYXVWUCI-UHFFFAOYSA-N -1 0 348.277 2.174 20 5 EEBDRM O=c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c[nH]1 ZINC000811725244 1200266000 /nfs/dbraw/zinc/26/60/00/1200266000.db2.gz LMSYNVWRXPZCQN-UHFFFAOYSA-N -1 0 347.711 2.289 20 5 EEBDRM O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-])OCc1ccccc1 ZINC000779676450 1210751385 /nfs/dbraw/zinc/75/13/85/1210751385.db2.gz XQJBYXXRYWFBEN-UHFFFAOYSA-N -1 0 344.323 2.164 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](O)c1cccc(F)c1 ZINC000779675890 1210751956 /nfs/dbraw/zinc/75/19/56/1210751956.db2.gz OEJOPQYJGLOBHH-PSLIRLAXSA-N -1 0 334.303 2.291 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)[N-]OCc1ccccc1 ZINC000193963124 1211045092 /nfs/dbraw/zinc/04/50/92/1211045092.db2.gz RNFJJWNKDMGABH-UHFFFAOYSA-N -1 0 329.312 2.090 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000195081225 1211311533 /nfs/dbraw/zinc/31/15/33/1211311533.db2.gz HNTIDMCABGAFHG-UHFFFAOYSA-N -1 0 348.380 2.206 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000795397496 1212094224 /nfs/dbraw/zinc/09/42/24/1212094224.db2.gz QADRPCCSWOOOTK-UHFFFAOYSA-N -1 0 347.283 2.147 20 5 EEBDRM COCCN(CCC(=O)[O-])c1cc(Br)ccc1[N+](=O)[O-] ZINC000900979471 1235073149 /nfs/dbraw/zinc/07/31/49/1235073149.db2.gz KLWRQFXKBMRVRB-UHFFFAOYSA-N -1 0 347.165 2.285 20 5 EEBDRM C[C@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885549 1277380358 /nfs/dbraw/zinc/38/03/58/1277380358.db2.gz HRUXNNCYBWRJLL-VHSXEESVSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000853030263 1292259730 /nfs/dbraw/zinc/25/97/30/1292259730.db2.gz UHZAAFWULBWXOV-RFAUZJTJSA-N -1 0 344.314 2.471 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001226020804 1301236148 /nfs/dbraw/zinc/23/61/48/1301236148.db2.gz LRVFCGKARHDZLA-RKDXNWHRSA-N -1 0 325.321 2.225 20 5 EEBDRM Cc1nc(O[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)c(F)c(=O)[n-]1 ZINC001226420555 1301402276 /nfs/dbraw/zinc/40/22/76/1301402276.db2.gz KSMULBUUIYWMAN-ZCFIWIBFSA-N -1 0 337.263 2.407 20 5 EEBDRM O=c1ncc(Cl)c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[n-]1 ZINC001228483181 1302283696 /nfs/dbraw/zinc/28/36/96/1302283696.db2.gz SCUYUXACRJPLDK-VIFPVBQESA-N -1 0 336.735 2.402 20 5 EEBDRM CCCCOC(=O)[C@@H](C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231225356 1303690575 /nfs/dbraw/zinc/69/05/75/1303690575.db2.gz XTSMVBLNGVXKBH-MRVPVSSYSA-N -1 0 328.277 2.319 20 5 EEBDRM O=C1COc2cc3nc(-c4cccc([N+](=O)[O-])c4[O-])[nH]c3cc2N1 ZINC001251271974 1317442762 /nfs/dbraw/zinc/44/27/62/1317442762.db2.gz OLXVHKGTZAHTPM-UHFFFAOYSA-N -1 0 326.268 2.175 20 5 EEBDRM Cn1ccc(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)n1 ZINC001259944286 1319749325 /nfs/dbraw/zinc/74/93/25/1319749325.db2.gz NQAXLAJSGLPRIY-UHFFFAOYSA-N -1 0 339.380 2.317 20 5 EEBDRM CCc1ccc(C(=O)NCCc2ncc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC001605804853 1351225676 /nfs/dbraw/zinc/22/56/76/1351225676.db2.gz NUPCCIHOIIIVNP-UHFFFAOYSA-N -1 0 349.368 2.284 20 5 EEBDRM Cc1cc(OS(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC001607702517 1351542727 /nfs/dbraw/zinc/54/27/27/1351542727.db2.gz XHHHBCGYQAZZOH-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1cc(OS(=O)(=O)c2ccc(C(=O)[O-])o2)c(F)cc1[N+](=O)[O-] ZINC001607702307 1351543027 /nfs/dbraw/zinc/54/30/27/1351543027.db2.gz IVNHIRGGUXUPKK-UHFFFAOYSA-N -1 0 345.260 2.101 20 5 EEBDRM O=C([O-])C1=CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001608587302 1351721171 /nfs/dbraw/zinc/72/11/71/1351721171.db2.gz QYDZSEVRJRFWLE-CYBMUJFWSA-N -1 0 345.355 2.442 20 5 EEBDRM CC[C@@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])c1noc(C)n1 ZINC001309275290 1331624366 /nfs/dbraw/zinc/62/43/66/1331624366.db2.gz QZOBQYXJFBTFPQ-MRVPVSSYSA-N -1 0 346.390 2.086 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@H]1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001608628241 1351729164 /nfs/dbraw/zinc/72/91/64/1351729164.db2.gz ZOSLAFKTKLZQSF-QWRGUYRKSA-N -1 0 331.332 2.139 20 5 EEBDRM CC(C)[C@@H]1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001609689860 1352060328 /nfs/dbraw/zinc/06/03/28/1352060328.db2.gz GQKAUYNLYBFBMA-CYBMUJFWSA-N -1 0 349.387 2.282 20 5 EEBDRM C[C@@H](CC(=O)[O-])Sc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001609735525 1352072430 /nfs/dbraw/zinc/07/24/30/1352072430.db2.gz HTLSWRIEHGYJTO-YFKPBYRVSA-N -1 0 325.389 2.015 20 5 EEBDRM Cn1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001339286271 1336985441 /nfs/dbraw/zinc/98/54/41/1336985441.db2.gz AYFNMUZFQPRMTK-UHFFFAOYSA-N -1 0 348.340 2.389 20 5 EEBDRM CC[C@@H]1CN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2C)C[C@@H](C)O1 ZINC001344234369 1337385005 /nfs/dbraw/zinc/38/50/05/1337385005.db2.gz LNTXRAKTTLKOGA-ZYHUDNBSSA-N -1 0 347.375 2.100 20 5 EEBDRM O=[N+]([O-])c1sccc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC001348542067 1337559431 /nfs/dbraw/zinc/55/94/31/1337559431.db2.gz DESCWADVEUWMOK-UHFFFAOYSA-N -1 0 328.375 2.064 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC001610214099 1352187222 /nfs/dbraw/zinc/18/72/22/1352187222.db2.gz FTPHHYPXSJTILP-INIZCTEOSA-N -1 0 336.344 2.068 20 5 EEBDRM COc1ncccc1COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610370821 1352212756 /nfs/dbraw/zinc/21/27/56/1352212756.db2.gz FJHAKFUPMUBEJU-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC001610526133 1352238816 /nfs/dbraw/zinc/23/88/16/1352238816.db2.gz HPKWXISXKBNFJE-MFKMUULPSA-N -1 0 335.360 2.027 20 5 EEBDRM Cc1ccccc1OCCCn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O ZINC001610533602 1352240423 /nfs/dbraw/zinc/24/04/23/1352240423.db2.gz ZEFYIJMHRKVLDB-UHFFFAOYSA-N -1 0 332.312 2.232 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001610785184 1352274017 /nfs/dbraw/zinc/27/40/17/1352274017.db2.gz KKRFGBKFRYRWLR-UHFFFAOYSA-N -1 0 342.307 2.214 20 5 EEBDRM O=C([O-])COc1ccc(CN2CCNc3ccccc32)cc1[N+](=O)[O-] ZINC001610786192 1352274467 /nfs/dbraw/zinc/27/44/67/1352274467.db2.gz AIQMCKFJLJBHHH-UHFFFAOYSA-N -1 0 343.339 2.490 20 5 EEBDRM O=C([O-])c1ccc(CS(=O)(=O)Oc2ccccc2[N+](=O)[O-])cc1 ZINC001610829513 1352281967 /nfs/dbraw/zinc/28/19/67/1352281967.db2.gz CBJVDAOBHDSOJN-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM O=C([O-])c1cnc(Oc2cccc(-n3cncn3)c2)c([N+](=O)[O-])c1 ZINC001610862621 1352287118 /nfs/dbraw/zinc/28/71/18/1352287118.db2.gz HDTPBFMWEWAXDA-UHFFFAOYSA-N -1 0 327.256 2.061 20 5 EEBDRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001610881459 1352290016 /nfs/dbraw/zinc/29/00/16/1352290016.db2.gz JMQIRTPUWUIIQT-GOSISDBHSA-N -1 0 340.335 2.463 20 5 EEBDRM Cc1c(CC(=O)NC(C)(C)c2nocc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001600011392 1349955049 /nfs/dbraw/zinc/95/50/49/1349955049.db2.gz OVIIEJJCTJLHJN-UHFFFAOYSA-N -1 0 347.327 2.183 20 5 EEBDRM Cc1c(NC(=O)NC[C@H](C)C[C@H](C)O)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600038773 1349959834 /nfs/dbraw/zinc/95/98/34/1349959834.db2.gz CVFKXAYIOAFWEM-BDAKNGLRSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2nn(C)cc2C(F)F)n1 ZINC001600105718 1349972169 /nfs/dbraw/zinc/97/21/69/1349972169.db2.gz JHDLSMPGFQPTFS-UHFFFAOYSA-N -1 0 341.274 2.280 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001600217677 1349995283 /nfs/dbraw/zinc/99/52/83/1349995283.db2.gz AEZMRVBMCKHPHR-OCAPTIKFSA-N -1 0 349.748 2.128 20 5 EEBDRM Cc1cc(N(C)[C@@H](C)C(=O)NC(C)(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600234896 1349998756 /nfs/dbraw/zinc/99/87/56/1349998756.db2.gz QJCOGMTZZWCJMV-JTQLQIEISA-N -1 0 337.376 2.341 20 5 EEBDRM Cc1cc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])ccc1OCCO ZINC001600285125 1350011348 /nfs/dbraw/zinc/01/13/48/1350011348.db2.gz VURZLQGHCDRBPG-UHFFFAOYSA-N -1 0 333.300 2.111 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1Cl ZINC001600302487 1350014963 /nfs/dbraw/zinc/01/49/63/1350014963.db2.gz MKMYGDNYYDVQMU-RKDXNWHRSA-N -1 0 326.736 2.492 20 5 EEBDRM Cc1cccc(C(=O)NCCc2ncc(C(=O)[O-])s2)c1[N+](=O)[O-] ZINC001600511937 1350070072 /nfs/dbraw/zinc/07/00/72/1350070072.db2.gz KYAQEVDSAMLHEY-UHFFFAOYSA-N -1 0 335.341 2.030 20 5 EEBDRM Cn1nc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC001601011299 1350189244 /nfs/dbraw/zinc/18/92/44/1350189244.db2.gz HWKZZIXHWQZATQ-UHFFFAOYSA-N -1 0 327.300 2.187 20 5 EEBDRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001601237301 1350238659 /nfs/dbraw/zinc/23/86/59/1350238659.db2.gz PZQKWKXUBGMXQZ-VURMDHGXSA-N -1 0 346.295 2.094 20 5 EEBDRM O=C([O-])c1cccc(OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC001601390831 1350272210 /nfs/dbraw/zinc/27/22/10/1350272210.db2.gz DQKCFJLVUMFYNL-UHFFFAOYSA-N -1 0 341.279 2.248 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001601753750 1350356755 /nfs/dbraw/zinc/35/67/55/1350356755.db2.gz GUBNHYPSSCVDSM-JZYAIQKZSA-N -1 0 344.367 2.410 20 5 EEBDRM O=C([O-])[C@H]1CSCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001601857909 1350382438 /nfs/dbraw/zinc/38/24/38/1350382438.db2.gz NNDROTKJTCZRSC-CQSZACIVSA-N -1 0 346.364 2.390 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001601889466 1350390949 /nfs/dbraw/zinc/39/09/49/1350390949.db2.gz DYAZSQNSFUJCKI-LBPRGKRZSA-N -1 0 333.344 2.121 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001601932012 1350400051 /nfs/dbraw/zinc/40/00/51/1350400051.db2.gz HJLDBNNWGWQYBX-UHFFFAOYSA-N -1 0 332.234 2.351 20 5 EEBDRM O=C([O-])C[C@]1(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCCOC1 ZINC001601932222 1350400210 /nfs/dbraw/zinc/40/02/10/1350400210.db2.gz KLMZNJMTZSUIJW-CQSZACIVSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001602074921 1350431282 /nfs/dbraw/zinc/43/12/82/1350431282.db2.gz WZVYHNLMNRGUKC-WZRBSPASSA-N -1 0 347.371 2.257 20 5 EEBDRM O=C([O-])Cc1ccccc1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC001602148605 1350451713 /nfs/dbraw/zinc/45/17/13/1350451713.db2.gz YSOOKSAXLUJWME-UHFFFAOYSA-N -1 0 342.351 2.311 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc([N+](=O)[O-])c1 ZINC001602245072 1350474994 /nfs/dbraw/zinc/47/49/94/1350474994.db2.gz KTCDSZQLPXLMBJ-GUDFOSOFSA-N -1 0 326.255 2.067 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)on1 ZINC001602251056 1350477018 /nfs/dbraw/zinc/47/70/18/1350477018.db2.gz QPSRJSQKZWDRBE-UHFFFAOYSA-N -1 0 326.648 2.291 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCC1(CO)CCOCC1 ZINC001602298952 1350488257 /nfs/dbraw/zinc/48/82/57/1350488257.db2.gz QEACGEXUPUGVMV-UHFFFAOYSA-N -1 0 344.751 2.147 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2occ3c2CCOC3)cc1[N+](=O)[O-] ZINC001602387350 1350508286 /nfs/dbraw/zinc/50/82/86/1350508286.db2.gz ZXFDGNWQDBKVMK-UHFFFAOYSA-N -1 0 333.252 2.178 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCN2CCCCCC2=O)c1 ZINC001602405179 1350511817 /nfs/dbraw/zinc/51/18/17/1350511817.db2.gz NAQWNMQMVGTOSS-UHFFFAOYSA-N -1 0 335.360 2.498 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2nnc(C3CC3)n2C2CC2)n1 ZINC001602405847 1350512054 /nfs/dbraw/zinc/51/20/54/1350512054.db2.gz RAGWHOKMTRUUHX-UHFFFAOYSA-N -1 0 344.331 2.104 20 5 EEBDRM O=C([O-])c1cnc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC001602523029 1350537931 /nfs/dbraw/zinc/53/79/31/1350537931.db2.gz TVPVQWMVTLVHOJ-UHFFFAOYSA-N -1 0 346.324 2.161 20 5 EEBDRM O=C([O-])C12CC(C1)CN2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001602624308 1350560376 /nfs/dbraw/zinc/56/03/76/1350560376.db2.gz YKPOLPAFXJVVIZ-UHFFFAOYSA-N -1 0 344.245 2.303 20 5 EEBDRM C/C(=C/C(=O)N[C@]1(CC(=O)[O-])CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001602953560 1350609717 /nfs/dbraw/zinc/60/97/17/1350609717.db2.gz SEECOCYYLHFISR-GKUQOKNUSA-N -1 0 348.355 2.138 20 5 EEBDRM CC(C)(CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)CC(=O)[O-] ZINC001603627081 1350730918 /nfs/dbraw/zinc/73/09/18/1350730918.db2.gz COKPEASMKQOWLP-UHFFFAOYSA-N -1 0 333.344 2.167 20 5 EEBDRM C[C@@]12COC[C@H]1CN(c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC001604606935 1350968695 /nfs/dbraw/zinc/96/86/95/1350968695.db2.gz VJJBNRBDQKFQLL-XLKFXECMSA-N -1 0 326.736 2.419 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001604635698 1350973928 /nfs/dbraw/zinc/97/39/28/1350973928.db2.gz CSFNCOVAWAQPKW-IONNQARKSA-N -1 0 336.735 2.491 20 5 EEBDRM CN(C)c1ccc(Nc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])cn1 ZINC001604703901 1350988049 /nfs/dbraw/zinc/98/80/49/1350988049.db2.gz DUFKCUYREGZZLY-UHFFFAOYSA-N -1 0 332.349 2.041 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001604961153 1351040111 /nfs/dbraw/zinc/04/01/11/1351040111.db2.gz WGBBNKCOGMQYCA-SNVBAGLBSA-N -1 0 326.324 2.378 20 5 EEBDRM CCCc1[nH]nc(C(=O)OCc2ccccc2CC(=O)[O-])c1[N+](=O)[O-] ZINC001605363710 1351144410 /nfs/dbraw/zinc/14/44/10/1351144410.db2.gz BNTNTEZRDJJREB-UHFFFAOYSA-N -1 0 347.327 2.255 20 5 EEBDRM CCOC(=O)c1cc(Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cn1C ZINC001605566025 1351191375 /nfs/dbraw/zinc/19/13/75/1351191375.db2.gz MXCPETZVWKEFKH-UHFFFAOYSA-N -1 0 348.315 2.255 20 5 EEBDRM CCOC[C@H]1CCCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001605623521 1351203110 /nfs/dbraw/zinc/20/31/10/1351203110.db2.gz JJKWBQNDKPENOQ-CYBMUJFWSA-N -1 0 336.344 2.324 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC001605775790 1351222366 /nfs/dbraw/zinc/22/23/66/1351222366.db2.gz MAEQNWHBYNDHJN-GFCCVEGCSA-N -1 0 346.343 2.053 20 5 EEBDRM CCc1ncsc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001605864883 1351240383 /nfs/dbraw/zinc/24/03/83/1351240383.db2.gz JAMSHXYCJOFKKX-OAHLLOKOSA-N -1 0 349.368 2.344 20 5 EEBDRM COC(=O)c1cccc(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001606616772 1351332667 /nfs/dbraw/zinc/33/26/67/1351332667.db2.gz QXRVXXOFUAGLSJ-UHFFFAOYSA-N -1 0 345.311 2.129 20 5 EEBDRM O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(-c2nnn[n-]2)o1 ZINC001606939544 1351380441 /nfs/dbraw/zinc/38/04/41/1351380441.db2.gz YJOJASRIRLSUJX-UHFFFAOYSA-N -1 0 334.679 2.274 20 5 EEBDRM COc1ccc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1O ZINC001607260905 1351460853 /nfs/dbraw/zinc/46/08/53/1351460853.db2.gz WCFNDSGNNUNKKM-UHFFFAOYSA-N -1 0 333.300 2.323 20 5 EEBDRM COc1cccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001607304422 1351469094 /nfs/dbraw/zinc/46/90/94/1351469094.db2.gz AADCJGQMNYJKCT-ZBEGNZNMSA-N -1 0 336.344 2.367 20 5 EEBDRM Cc1c(NC(=O)c2cc(Cl)n(C)n2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607548708 1351514080 /nfs/dbraw/zinc/51/40/80/1351514080.db2.gz FROPYFWBEVYSOL-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM Cc1cc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c(N)c([N+](=O)[O-])c1 ZINC001607573622 1351517927 /nfs/dbraw/zinc/51/79/27/1351517927.db2.gz UBCMFMJNVPTNGX-PIGZYNQJSA-N -1 0 347.371 2.202 20 5 EEBDRM Cc1nccc([C@H]2CCCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC001607986647 1351598601 /nfs/dbraw/zinc/59/86/01/1351598601.db2.gz HNGGDQJRYLWDDR-NSHDSACASA-N -1 0 343.343 2.170 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001608273487 1351660854 /nfs/dbraw/zinc/66/08/54/1351660854.db2.gz NYWCKSZWHWAPTI-UHFFFAOYSA-N -1 0 341.323 2.074 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001608274512 1351661385 /nfs/dbraw/zinc/66/13/85/1351661385.db2.gz INKPIFHFXTZFER-UHFFFAOYSA-N -1 0 327.296 2.078 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC001608315982 1351669043 /nfs/dbraw/zinc/66/90/43/1351669043.db2.gz ACUBIBLTHRGKHC-UHFFFAOYSA-N -1 0 333.275 2.398 20 5 EEBDRM O=C([O-])c1cccc(OCC(=O)NCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001608351371 1351676837 /nfs/dbraw/zinc/67/68/37/1351676837.db2.gz MWQLJACTZIBAJW-UHFFFAOYSA-N -1 0 348.286 2.127 20 5 EEBDRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001608393681 1351685872 /nfs/dbraw/zinc/68/58/72/1351685872.db2.gz ZUNGHCBVJPZLNI-KOLCDFICSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237926354 774405089 /nfs/dbraw/zinc/40/50/89/774405089.db2.gz LZNUYTVEIOURCY-LBPRGKRZSA-N -1 0 335.360 2.253 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c(C)s1 ZINC000112160934 775424657 /nfs/dbraw/zinc/42/46/57/775424657.db2.gz HXKPKFDFNVHZMT-UHFFFAOYSA-N -1 0 346.411 2.453 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000112493604 786064839 /nfs/dbraw/zinc/06/48/39/786064839.db2.gz MXUCRDWNUMAYAD-SNVBAGLBSA-N -1 0 328.390 2.399 20 5 EEBDRM CCOc1cccc(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC000844212739 788931227 /nfs/dbraw/zinc/93/12/27/788931227.db2.gz NGGXOCRBAIFDKN-UHFFFAOYSA-N -1 0 332.316 2.136 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CC1 ZINC000845468294 789800342 /nfs/dbraw/zinc/80/03/42/789800342.db2.gz PMCSTGLOJIINDI-KYZUINATSA-N -1 0 332.403 2.288 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000174336591 792074255 /nfs/dbraw/zinc/07/42/55/792074255.db2.gz UOPFWKRXEJGNFW-UHFFFAOYSA-N -1 0 340.279 2.051 20 5 EEBDRM O=C(/C=C\c1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000916651897 797732166 /nfs/dbraw/zinc/73/21/66/797732166.db2.gz WEEWQCROVHDUCE-KHPPLWFESA-N -1 0 332.337 2.113 20 5 EEBDRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cnc1OC ZINC001174503893 797784896 /nfs/dbraw/zinc/78/48/96/797784896.db2.gz MWOXBQVEVIGDFQ-UHFFFAOYSA-N -1 0 347.283 2.227 20 5 EEBDRM Nc1cnc(N(c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C2CCC2)nc1 ZINC001176677884 798525319 /nfs/dbraw/zinc/52/53/19/798525319.db2.gz GCGCAVTVROVKGD-UHFFFAOYSA-N -1 0 329.316 2.356 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)ccc1[N+](=O)[O-] ZINC000808125542 812445964 /nfs/dbraw/zinc/44/59/64/812445964.db2.gz DJUMHAVWBMDIRY-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM CC[C@](NC(=O)c1cc([N+](=O)[O-])cnc1C)(C(=O)[O-])c1ccccc1 ZINC000431446510 939151573 /nfs/dbraw/zinc/15/15/73/939151573.db2.gz RAIQXZZBYGBPAI-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccn(CC(=O)[O-])n2)cc1Cl ZINC001600302122 970795777 /nfs/dbraw/zinc/79/57/77/970795777.db2.gz DKBSAPVRUBMJIK-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC001594909146 954699500 /nfs/dbraw/zinc/69/95/00/954699500.db2.gz BTZLMRBMJJSIHG-CXTZMWEQSA-N -1 0 332.356 2.458 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001594925676 954814780 /nfs/dbraw/zinc/81/47/80/954814780.db2.gz FWRRWPATZVROOH-VIFPVBQESA-N -1 0 330.300 2.081 20 5 EEBDRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC001594536121 955574275 /nfs/dbraw/zinc/57/42/75/955574275.db2.gz LSVWUTXXIJZIAF-GHMZBOCLSA-N -1 0 348.334 2.162 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001589196217 956609785 /nfs/dbraw/zinc/60/97/85/956609785.db2.gz NTSFOWFEWSQKDO-CYBMUJFWSA-N -1 0 330.699 2.324 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001594708844 956864942 /nfs/dbraw/zinc/86/49/42/956864942.db2.gz XNZHZSRULOZDLN-HNNXBMFYSA-N -1 0 332.287 2.219 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)C1CCC1 ZINC001594735821 957068987 /nfs/dbraw/zinc/06/89/87/957068987.db2.gz GONWFMNJWHOGHC-SNVBAGLBSA-N -1 0 326.736 2.479 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)nc1 ZINC001574802348 957839793 /nfs/dbraw/zinc/83/97/93/957839793.db2.gz FPHDLCAWXPCTBS-UHFFFAOYSA-N -1 0 337.238 2.419 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001573645189 959633686 /nfs/dbraw/zinc/63/36/86/959633686.db2.gz AXNPWBPMYUNDMY-CYBMUJFWSA-N -1 0 330.699 2.467 20 5 EEBDRM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574306337 960737696 /nfs/dbraw/zinc/73/76/96/960737696.db2.gz GEHBKYFXFWKYJC-NXEZZACHSA-N -1 0 340.307 2.251 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001574016152 961948963 /nfs/dbraw/zinc/94/89/63/961948963.db2.gz ZHMNZXADKNJXGN-UHFFFAOYSA-N -1 0 344.327 2.394 20 5 EEBDRM Cc1cccc([C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC001605328129 973178104 /nfs/dbraw/zinc/17/81/04/973178104.db2.gz KUYMVHWWQZLDKT-INIZCTEOSA-N -1 0 328.324 2.388 20 5 EEBDRM Cn1ncc(C(=O)[O-])c1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001605549610 973760797 /nfs/dbraw/zinc/76/07/97/973760797.db2.gz CDNHBOCAGPANIT-UHFFFAOYSA-N -1 0 330.344 2.191 20 5 EEBDRM CC(C)Oc1nc(N2CCSC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001591809231 976034292 /nfs/dbraw/zinc/03/42/92/976034292.db2.gz BLWXXRCAFSERMD-JTQLQIEISA-N -1 0 341.389 2.031 20 5 EEBDRM C[C@H](CC(=O)[O-])CC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001592402764 977970291 /nfs/dbraw/zinc/97/02/91/977970291.db2.gz QCVZFUOLZQTVDX-SECBINFHSA-N -1 0 349.299 2.189 20 5 EEBDRM CC[C@@H](C[C@H](C)O)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595036603 979198117 /nfs/dbraw/zinc/19/81/17/979198117.db2.gz WCVHWXXRZDEKBP-KWQFWETISA-N -1 0 339.348 2.272 20 5 EEBDRM CC(C)(CCC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-])[N+](=O)[O-] ZINC001592845685 979614910 /nfs/dbraw/zinc/61/49/10/979614910.db2.gz DPKAKDISRDMGPL-INIZCTEOSA-N -1 0 340.351 2.163 20 5 EEBDRM CC[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001595175822 979761783 /nfs/dbraw/zinc/76/17/83/979761783.db2.gz GNHACGWAMNZTPP-SECBINFHSA-N -1 0 339.348 2.468 20 5 EEBDRM CC[C@@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCS1 ZINC001595488142 981235054 /nfs/dbraw/zinc/23/50/54/981235054.db2.gz NPKBGFVHYJVQBJ-GFCCVEGCSA-N -1 0 340.401 2.386 20 5 EEBDRM CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596242135 983641242 /nfs/dbraw/zinc/64/12/42/983641242.db2.gz SPNLPLNWEMJZGF-OAHLLOKOSA-N -1 0 349.387 2.126 20 5 EEBDRM C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC001594563055 986341004 /nfs/dbraw/zinc/34/10/04/986341004.db2.gz XTLIJVPUFNWBDC-RDDDGLTNSA-N -1 0 334.250 2.449 20 5 EEBDRM C[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1C(=O)[O-] ZINC001599859276 989141112 /nfs/dbraw/zinc/14/11/12/989141112.db2.gz BKNYPCAPMPZVDJ-HTRCEHHLSA-N -1 0 342.739 2.015 20 5 EEBDRM CC(C)(/C=C/Cl)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001590615568 990290983 /nfs/dbraw/zinc/29/09/83/990290983.db2.gz XWTPJPZJBRBPNC-AATRIKPKSA-N -1 0 348.764 2.102 20 5 EEBDRM CN(CC(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1[N+](=O)[O-] ZINC001598392429 991645582 /nfs/dbraw/zinc/64/55/82/991645582.db2.gz GWDKAAKODZWFSO-UHFFFAOYSA-N -1 0 349.368 2.107 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001598501791 992445211 /nfs/dbraw/zinc/44/52/11/992445211.db2.gz HCTMYTDXRYFWMK-UHFFFAOYSA-N -1 0 344.327 2.394 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001598501830 992445346 /nfs/dbraw/zinc/44/53/46/992445346.db2.gz MDZIAFNIMPHPGJ-UHFFFAOYSA-N -1 0 344.327 2.394 20 5 EEBDRM CC(C)C[C@@H]1C[C@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001591449006 992555193 /nfs/dbraw/zinc/55/51/93/992555193.db2.gz XLFPOOGUHUXENX-DGCLKSJQSA-N -1 0 335.360 2.256 20 5 EEBDRM COc1ccc(NC(=O)c2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001599596023 993749438 /nfs/dbraw/zinc/74/94/38/993749438.db2.gz VUDABDIGTNPJDE-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM COC(=O)C(C)(C)n1cc(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1 ZINC001598686380 995006582 /nfs/dbraw/zinc/00/65/82/995006582.db2.gz WLFFBZHOEARXTA-UHFFFAOYSA-N -1 0 348.315 2.141 20 5 EEBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)[C@@H]1CN(C)CCO1 ZINC001593365700 995042510 /nfs/dbraw/zinc/04/25/10/995042510.db2.gz GUTHLHJUYJLMAN-KWQFWETISA-N -1 0 343.767 2.077 20 5 EEBDRM C[C@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc(C2CC2)no1 ZINC001593556620 995645378 /nfs/dbraw/zinc/64/53/78/995645378.db2.gz ROOCUESXDWUQLW-ZETCQYMHSA-N -1 0 347.283 2.471 20 5 EEBDRM COc1c(NCc2cc([N+](=O)[O-])ccc2Cl)ncnc1C(=O)[O-] ZINC001599345392 997995288 /nfs/dbraw/zinc/99/52/88/997995288.db2.gz ZASAWGJQLWAMNC-UHFFFAOYSA-N -1 0 338.707 2.357 20 5 EEBDRM CO[C@@H]1COCC[C@@H]1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001599137979 998075939 /nfs/dbraw/zinc/07/59/39/998075939.db2.gz FIRXUHLLHXLWLU-AMIZOPFISA-N -1 0 344.751 2.410 20 5 EEBDRM C[C@@H]1C[C@@H](CO)CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594243250 998924575 /nfs/dbraw/zinc/92/45/75/998924575.db2.gz NFVFPFACTWYICG-RKDXNWHRSA-N -1 0 328.752 2.401 20 5 EEBDRM CN(c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C)[C@@H]1CCSC1 ZINC001519970209 1119117629 /nfs/dbraw/zinc/11/76/29/1119117629.db2.gz DFNKSFIUYCIHCH-SNVBAGLBSA-N -1 0 335.389 2.038 20 5 EEBDRM Cc1nc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])CCCC2)no1 ZINC000179447026 233040464 /nfs/dbraw/zinc/04/04/64/233040464.db2.gz PFQAQLDTHWBHEQ-UHFFFAOYSA-N -1 0 332.316 2.191 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000255188576 244046699 /nfs/dbraw/zinc/04/66/99/244046699.db2.gz KLRSOZUIWGNQHM-HNNXBMFYSA-N -1 0 343.339 2.062 20 5 EEBDRM COC[C@@](C)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)[O-] ZINC000262159506 244833030 /nfs/dbraw/zinc/83/30/30/244833030.db2.gz MTTXKXCMUMLVJO-CQSZACIVSA-N -1 0 338.341 2.029 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000262883321 245232135 /nfs/dbraw/zinc/23/21/35/245232135.db2.gz HGFURLAKCXOFSR-GFCCVEGCSA-N -1 0 331.328 2.015 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000263017118 245299068 /nfs/dbraw/zinc/29/90/68/245299068.db2.gz XNZXXWWBKFYHFS-MRVPVSSYSA-N -1 0 344.776 2.273 20 5 EEBDRM O=C(/C=C/C1CCCC1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000493654602 246752730 /nfs/dbraw/zinc/75/27/30/246752730.db2.gz HJPDZSWBOAHKEH-AATRIKPKSA-N -1 0 342.348 2.285 20 5 EEBDRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000192838799 304207134 /nfs/dbraw/zinc/20/71/34/304207134.db2.gz QJAZABRNGGHLFS-LLVKDONJSA-N -1 0 332.337 2.308 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000119419002 221315760 /nfs/dbraw/zinc/31/57/60/221315760.db2.gz PWZWNAYWRSTVNH-VIFPVBQESA-N -1 0 347.293 2.009 20 5 EEBDRM COC[C@H](Cc1ccccc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356616095 141026760 /nfs/dbraw/zinc/02/67/60/141026760.db2.gz FQNQHKYIBKAMEE-AWEZNQCLSA-N -1 0 330.340 2.288 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000375067623 143711234 /nfs/dbraw/zinc/71/12/34/143711234.db2.gz YOCFCHINNBQPOC-QGZVFWFLSA-N -1 0 346.314 2.173 20 5 EEBDRM C[S@@](=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000115724186 152037551 /nfs/dbraw/zinc/03/75/51/152037551.db2.gz NZZJCAFOHNCPDO-QHCPKHFHSA-N -1 0 334.353 2.431 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000262838254 152325306 /nfs/dbraw/zinc/32/53/06/152325306.db2.gz CUINGLHTMWRZJV-ZWNOBZJWSA-N -1 0 347.371 2.352 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000262951312 152345188 /nfs/dbraw/zinc/34/51/88/152345188.db2.gz IDUDIOJRXZWGMQ-QGZVFWFLSA-N -1 0 343.339 2.470 20 5 EEBDRM CCOC(=O)c1cc(N2C[C@H](C)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000263189987 152398489 /nfs/dbraw/zinc/39/84/89/152398489.db2.gz LCTYDBUZGSDLRV-MNOVXSKESA-N -1 0 336.344 2.319 20 5 EEBDRM Cc1ccc(CN(CCO)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000121936306 292269091 /nfs/dbraw/zinc/26/90/91/292269091.db2.gz IKUQLVXMGAUUCC-UHFFFAOYSA-N -1 0 330.340 2.244 20 5 EEBDRM C[C@H](NC(=O)c1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000126239093 292307936 /nfs/dbraw/zinc/30/79/36/292307936.db2.gz LDXXMGUYYFLWAD-QMMMGPOBSA-N -1 0 335.341 2.119 20 5 EEBDRM O=c1nc(CN2CCc3ccc([N+](=O)[O-])cc3C2)[n-]c2ccsc21 ZINC000131427930 292387981 /nfs/dbraw/zinc/38/79/81/292387981.db2.gz LUDIOIPGFKRLCC-UHFFFAOYSA-N -1 0 342.380 2.451 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000319529592 160534434 /nfs/dbraw/zinc/53/44/34/160534434.db2.gz OPSXQCQHDDDIPB-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c([N+](=O)[O-])n1 ZINC000339688110 160861937 /nfs/dbraw/zinc/86/19/37/160861937.db2.gz LOMZIDBUHGRZDV-UHFFFAOYSA-N -1 0 335.345 2.093 20 5 EEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000354218559 162797845 /nfs/dbraw/zinc/79/78/45/162797845.db2.gz COGUSZGGCVYASO-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM C[C@@](CO)(CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000355171457 163101606 /nfs/dbraw/zinc/10/16/06/163101606.db2.gz GOFJDSPNEYINND-SFHVURJKSA-N -1 0 344.367 2.272 20 5 EEBDRM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356302159 163398140 /nfs/dbraw/zinc/39/81/40/163398140.db2.gz ZECPOTSLMFFVBM-VFZGTOFNSA-N -1 0 330.296 2.467 20 5 EEBDRM CCc1ncc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)s1 ZINC000359102345 164059273 /nfs/dbraw/zinc/05/92/73/164059273.db2.gz LJJZJQFKKUJPQW-UHFFFAOYSA-N -1 0 329.359 2.120 20 5 EEBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cncc(F)c2)c2cccnc21 ZINC000360527715 164330310 /nfs/dbraw/zinc/33/03/10/164330310.db2.gz DFGIBGOBBLZYBZ-UHFFFAOYSA-N -1 0 348.315 2.478 20 5 EEBDRM COc1cccc2c1OC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000368314920 166087125 /nfs/dbraw/zinc/08/71/25/166087125.db2.gz GJCPDPKGRHCNNK-LBPRGKRZSA-N -1 0 344.323 2.043 20 5 EEBDRM CO[C@H](C)c1nc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cs1 ZINC000272657478 269005122 /nfs/dbraw/zinc/00/51/22/269005122.db2.gz GLNHCBJZNAAXEU-MRVPVSSYSA-N -1 0 337.357 2.394 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-] ZINC000275027358 269086051 /nfs/dbraw/zinc/08/60/51/269086051.db2.gz BZVSCHFQQJKJPR-JTQLQIEISA-N -1 0 344.389 2.071 20 5 EEBDRM O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000280148884 269332503 /nfs/dbraw/zinc/33/25/03/269332503.db2.gz UHGWXSZCERZFBF-JTQLQIEISA-N -1 0 332.316 2.170 20 5 EEBDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000431637803 314647547 /nfs/dbraw/zinc/64/75/47/314647547.db2.gz DIOCHSCGIVFVPS-UHFFFAOYSA-N -1 0 345.311 2.322 20 5 EEBDRM O=C(N[C@H](CO)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436960936 315016358 /nfs/dbraw/zinc/01/63/58/315016358.db2.gz SHYYLYWLUQKPMR-GFCCVEGCSA-N -1 0 338.266 2.042 20 5 EEBDRM O=C(NCc1ccn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436959343 315016876 /nfs/dbraw/zinc/01/68/76/315016876.db2.gz MSLIFUPIABGKPX-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM C[C@](CO)(CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])Cc1ccccc1 ZINC000436999444 315022148 /nfs/dbraw/zinc/02/21/48/315022148.db2.gz LRLJNMZJXCMSQO-GOSISDBHSA-N -1 0 344.367 2.272 20 5 EEBDRM CNC(=O)Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000495704530 316063708 /nfs/dbraw/zinc/06/37/08/316063708.db2.gz XUXUIYCWZQDUGA-UHFFFAOYSA-N -1 0 331.284 2.271 20 5 EEBDRM C[C@@H](CN(C)C(=O)OC(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000496833643 316289670 /nfs/dbraw/zinc/28/96/70/316289670.db2.gz JZBILKCHTLKXLF-VIFPVBQESA-N -1 0 327.337 2.335 20 5 EEBDRM CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000547922545 318334135 /nfs/dbraw/zinc/33/41/35/318334135.db2.gz GCPFDLUDHUCQGC-GWCFXTLKSA-N -1 0 344.389 2.023 20 5 EEBDRM Cn1cc([C@@H]2N(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2(C)C)cn1 ZINC000560568305 318802981 /nfs/dbraw/zinc/80/29/81/318802981.db2.gz WYPNMRBHEQEEJJ-AWEZNQCLSA-N -1 0 330.344 2.257 20 5 EEBDRM CC(C)(C)c1nnc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])s1 ZINC000563206273 318984239 /nfs/dbraw/zinc/98/42/39/318984239.db2.gz HLGKHXIXRTVHFH-UHFFFAOYSA-N -1 0 337.361 2.449 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000563624054 319031630 /nfs/dbraw/zinc/03/16/30/319031630.db2.gz LMBGPRIRFKVEQH-ZCFIWIBFSA-N -1 0 325.350 2.447 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCO[C@H](CF)C1 ZINC000565025451 319140161 /nfs/dbraw/zinc/14/01/61/319140161.db2.gz RPSDVBPHMUMSSE-SECBINFHSA-N -1 0 332.715 2.154 20 5 EEBDRM Cc1n[nH]cc1CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565034449 319141551 /nfs/dbraw/zinc/14/15/51/319141551.db2.gz INHDOWOESGZIBP-UHFFFAOYSA-N -1 0 338.751 2.348 20 5 EEBDRM C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000566179248 319256817 /nfs/dbraw/zinc/25/68/17/319256817.db2.gz KLABXSSVUZBQML-JOYOIKCWSA-N -1 0 342.373 2.150 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000566298029 319271293 /nfs/dbraw/zinc/27/12/93/319271293.db2.gz SALBWSDVSXNMQX-KBPBESRZSA-N -1 0 335.360 2.004 20 5 EEBDRM C/C=C\C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000567063818 319345329 /nfs/dbraw/zinc/34/53/29/319345329.db2.gz QHINWSXZHJJWCJ-DLGQBQFBSA-N -1 0 326.736 2.326 20 5 EEBDRM CCC(CC)(NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000567810425 319421912 /nfs/dbraw/zinc/42/19/12/319421912.db2.gz XAUSNPSLEGBYSI-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](CC(=O)[O-])C1 ZINC000573331000 319924763 /nfs/dbraw/zinc/92/47/63/319924763.db2.gz IGOVCABMEFEDSQ-CQSZACIVSA-N -1 0 338.360 2.058 20 5 EEBDRM C[C@@H]1OCC[C@@]12CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C[C@@H](C)O2 ZINC000574280330 320012191 /nfs/dbraw/zinc/01/21/91/320012191.db2.gz FGAQRDCSEYUNLC-OHUAYANFSA-N -1 0 336.344 2.066 20 5 EEBDRM O=C([O-])CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1 ZINC000575197021 320095579 /nfs/dbraw/zinc/09/55/79/320095579.db2.gz BXESJCRSJZFJFN-UHFFFAOYSA-N -1 0 346.343 2.474 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)[C@H](O)Cc2ccccc2)n1 ZINC000576351162 320164164 /nfs/dbraw/zinc/16/41/64/320164164.db2.gz RXGVMOWMSOCYKO-SMDDNHRTSA-N -1 0 345.355 2.400 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000576878365 320212094 /nfs/dbraw/zinc/21/20/94/320212094.db2.gz ACGKIGUHBANLBT-QGZVFWFLSA-N -1 0 344.371 2.352 20 5 EEBDRM CC(C)N1CC[C@H]([N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1=O ZINC000486983950 447826811 /nfs/dbraw/zinc/82/68/11/447826811.db2.gz RWYWKGOHPQSZKX-LBPRGKRZSA-N -1 0 331.332 2.066 20 5 EEBDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000358588123 465207921 /nfs/dbraw/zinc/20/79/21/465207921.db2.gz IXGHWWWQGGVZPG-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM Cn1nccc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000520818642 468272646 /nfs/dbraw/zinc/27/26/46/468272646.db2.gz WXEFDPKMCHMKRJ-LLVKDONJSA-N -1 0 330.344 2.411 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000091021942 462821129 /nfs/dbraw/zinc/82/11/29/462821129.db2.gz WJFMPZQNOKSWSH-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM CCC[C@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000136680191 463253018 /nfs/dbraw/zinc/25/30/18/463253018.db2.gz GMKSJPUIQBVAEX-VIFPVBQESA-N -1 0 336.377 2.101 20 5 EEBDRM CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000255274593 463713763 /nfs/dbraw/zinc/71/37/63/463713763.db2.gz LMBKUAZIFMVYKI-PLNGDYQASA-N -1 0 330.337 2.141 20 5 EEBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000261786809 463860022 /nfs/dbraw/zinc/86/00/22/463860022.db2.gz SQSPKFFWVHQJCU-GFCCVEGCSA-N -1 0 332.234 2.074 20 5 EEBDRM O=C(COc1cccc([N+](=O)[O-])c1)NC1(C(=O)[O-])CCCCCC1 ZINC000261968919 463914135 /nfs/dbraw/zinc/91/41/35/463914135.db2.gz YRCKKIHAKLAURM-UHFFFAOYSA-N -1 0 336.344 2.267 20 5 EEBDRM CCCCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000194806198 463932453 /nfs/dbraw/zinc/93/24/53/463932453.db2.gz PLWQSUBWIYMOIS-UHFFFAOYSA-N -1 0 344.324 2.260 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])cc1SC ZINC000263367105 464092488 /nfs/dbraw/zinc/09/24/88/464092488.db2.gz AJEKVEHLTVENCZ-JGVFFNPUSA-N -1 0 342.373 2.164 20 5 EEBDRM CC[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1CC(F)F ZINC000568887947 468402615 /nfs/dbraw/zinc/40/26/15/468402615.db2.gz RSCIZYPXDQBGMF-LLVKDONJSA-N -1 0 343.330 2.459 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1CC(F)(F)F ZINC000182170153 464588038 /nfs/dbraw/zinc/58/80/38/464588038.db2.gz SIBSFINKLCLGEL-SECBINFHSA-N -1 0 347.293 2.009 20 5 EEBDRM CC(C)(C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1)C(N)=O ZINC000295614539 464902200 /nfs/dbraw/zinc/90/22/00/464902200.db2.gz JCAWPKUIWSSMIX-LLVKDONJSA-N -1 0 349.387 2.054 20 5 EEBDRM O=C(NCCc1ccc2c[nH]nc2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356648342 465470333 /nfs/dbraw/zinc/47/03/33/465470333.db2.gz UHPLYDYAAUBYEE-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356803377 465549693 /nfs/dbraw/zinc/54/96/93/465549693.db2.gz MCNLPFFIAOIMND-XMMPIXPASA-N -1 0 348.380 2.310 20 5 EEBDRM COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1 ZINC000337792955 465585144 /nfs/dbraw/zinc/58/51/44/465585144.db2.gz UOPPLTFVBUTJAT-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM CC[C@@H](C)[C@H](NC(C)=O)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000354536493 466634323 /nfs/dbraw/zinc/63/43/23/466634323.db2.gz IYDSSGWXDNNHMT-KRTXAFLBSA-N -1 0 343.767 2.443 20 5 EEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000323977532 466642373 /nfs/dbraw/zinc/64/23/73/466642373.db2.gz BOAGUPVUTNZTMZ-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM Cc1nc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])no1 ZINC000374798984 466747319 /nfs/dbraw/zinc/74/73/19/466747319.db2.gz IRSDQRZSMMOMMW-GFCCVEGCSA-N -1 0 332.316 2.359 20 5 EEBDRM Cn1ccnc1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000376096269 466891383 /nfs/dbraw/zinc/89/13/83/466891383.db2.gz KUVHFSAKSUJBRX-LLVKDONJSA-N -1 0 330.344 2.054 20 5 EEBDRM C[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C(=O)[O-] ZINC000424256549 467014452 /nfs/dbraw/zinc/01/44/52/467014452.db2.gz AOMIRXBQALOBCJ-QMTHXVAHSA-N -1 0 346.343 2.330 20 5 EEBDRM C[C@H](CC(=O)[O-])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000427731437 467175453 /nfs/dbraw/zinc/17/54/53/467175453.db2.gz OEWAFAAIUBLKIF-GFCCVEGCSA-N -1 0 338.363 2.134 20 5 EEBDRM COc1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000432134906 467218492 /nfs/dbraw/zinc/21/84/92/467218492.db2.gz WXFVOBUDHSPJJR-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1nnn[n-]1 ZINC000413597989 467274967 /nfs/dbraw/zinc/27/49/67/467274967.db2.gz YCPZXKDCNNXKCH-NSHDSACASA-N -1 0 348.363 2.166 20 5 EEBDRM COC(=O)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436737557 467552472 /nfs/dbraw/zinc/55/24/72/467552472.db2.gz JLXRKKHVDFDHJR-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000458393745 467822871 /nfs/dbraw/zinc/82/28/71/467822871.db2.gz OUPDGTTXNSOMAA-JTQLQIEISA-N -1 0 338.360 2.350 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000532711686 468133602 /nfs/dbraw/zinc/13/36/02/468133602.db2.gz HTRNLZOUYVXBPH-GFCCVEGCSA-N -1 0 335.360 2.028 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC(Oc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000519536958 468168692 /nfs/dbraw/zinc/16/86/92/468168692.db2.gz FEKFPMUBTPWYQB-UHFFFAOYSA-N -1 0 344.327 2.131 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC000519549632 468170456 /nfs/dbraw/zinc/17/04/56/468170456.db2.gz XJFRYEXUEROPEJ-VXGBXAGGSA-N -1 0 335.360 2.249 20 5 EEBDRM CC(C)[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C ZINC000578752375 468251659 /nfs/dbraw/zinc/25/16/59/468251659.db2.gz LQCWNQYPRMGKMG-CYBMUJFWSA-N -1 0 341.795 2.366 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1noc(C(F)F)n1 ZINC000591784935 468521805 /nfs/dbraw/zinc/52/18/05/468521805.db2.gz YOYQJFSXIGIIRB-RXMQYKEDSA-N -1 0 328.231 2.112 20 5 EEBDRM CC(C)OC(=O)C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000594406592 468575537 /nfs/dbraw/zinc/57/55/37/468575537.db2.gz CVGADGQIEJXXSJ-GFCCVEGCSA-N -1 0 338.360 2.397 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000583027440 468632472 /nfs/dbraw/zinc/63/24/72/468632472.db2.gz OGPKGLACNPOSSD-QGZVFWFLSA-N -1 0 345.355 2.461 20 5 EEBDRM CO[C@@H]1[C@H]2C[C@H]3CN(c4cc(C)c([N+](=O)[O-])c(C(=O)[O-])c4)[C@H]1[C@H]3C2 ZINC000571287141 468765937 /nfs/dbraw/zinc/76/59/37/468765937.db2.gz CQPZKXOKJYSSHV-SQNBZCGUSA-N -1 0 332.356 2.461 20 5 EEBDRM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595280675 468799349 /nfs/dbraw/zinc/79/93/49/468799349.db2.gz UXTHRKOFRTXNGX-SFYZADRCSA-N -1 0 349.265 2.234 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2C2CCOCC2)n1 ZINC000592978370 468832952 /nfs/dbraw/zinc/83/29/52/468832952.db2.gz SHZILLCQIZLQAL-CYBMUJFWSA-N -1 0 335.360 2.392 20 5 EEBDRM O=C([O-])c1ccc(N2CCCN(c3sccc3[N+](=O)[O-])CC2)nc1 ZINC000592980974 468833136 /nfs/dbraw/zinc/83/31/36/468833136.db2.gz DBNDTFRDJCUNFJ-UHFFFAOYSA-N -1 0 348.384 2.466 20 5 EEBDRM C[C@@H]1CCCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000584294658 468839393 /nfs/dbraw/zinc/83/93/93/468839393.db2.gz BIPZMMXRDSNOSH-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@@H]2Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572606063 468956766 /nfs/dbraw/zinc/95/67/66/468956766.db2.gz CNKZHGSLRXCTBH-JTQLQIEISA-N -1 0 346.347 2.350 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC(=O)[O-])CC(C)(C)C ZINC000595886387 469064138 /nfs/dbraw/zinc/06/41/38/469064138.db2.gz MUVXTHWACKUKQO-UHFFFAOYSA-N -1 0 337.376 2.274 20 5 EEBDRM CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000595999494 469111781 /nfs/dbraw/zinc/11/17/81/469111781.db2.gz BSHJHKAXFNXIKF-IUCAKERBSA-N -1 0 344.751 2.337 20 5 EEBDRM CC(C)n1cnnc1C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596181071 469189175 /nfs/dbraw/zinc/18/91/75/469189175.db2.gz XCRCYZCLWGDEPF-UHFFFAOYSA-N -1 0 332.364 2.252 20 5 EEBDRM O=C([O-])C1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCCC1 ZINC000563214306 469202006 /nfs/dbraw/zinc/20/20/06/469202006.db2.gz UPESEUJJWYCODV-UHFFFAOYSA-N -1 0 346.343 2.691 20 5 EEBDRM C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@H]1C ZINC000574036476 469249566 /nfs/dbraw/zinc/24/95/66/469249566.db2.gz RZMCJCQGUNLJLB-UWVGGRQHSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C(NCCN1CCCc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612530024 469488555 /nfs/dbraw/zinc/48/85/55/469488555.db2.gz SAKHTKPNLJLNLC-UHFFFAOYSA-N -1 0 341.367 2.483 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C)cc1O ZINC000619466338 469615904 /nfs/dbraw/zinc/61/59/04/469615904.db2.gz QMNFJBXIKMULSH-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000618249809 469939586 /nfs/dbraw/zinc/93/95/86/469939586.db2.gz FNXLLMUAHXNACB-GFCCVEGCSA-N -1 0 328.324 2.293 20 5 EEBDRM CCC(=O)N1CC[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000186058856 528366858 /nfs/dbraw/zinc/36/68/58/528366858.db2.gz XKKCUFSQOMIYMD-QMMMGPOBSA-N -1 0 341.751 2.151 20 5 EEBDRM CCCC[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000236877059 535055640 /nfs/dbraw/zinc/05/56/40/535055640.db2.gz DCORDPNATFCCBC-AWEZNQCLSA-N -1 0 346.343 2.154 20 5 EEBDRM CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(=O)[O-] ZINC000237048604 535868272 /nfs/dbraw/zinc/86/82/72/535868272.db2.gz BUNUGUBUBYTZSU-AWEZNQCLSA-N -1 0 349.387 2.424 20 5 EEBDRM Cc1cc(C(=O)Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)cc(C)c1F ZINC000738318711 578009183 /nfs/dbraw/zinc/00/91/83/578009183.db2.gz DHQYNDMZCWDVAC-UHFFFAOYSA-N -1 0 348.286 2.094 20 5 EEBDRM C[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000737696202 576249331 /nfs/dbraw/zinc/24/93/31/576249331.db2.gz UITYFKZIAXYKPK-AMIZOPFISA-N -1 0 335.291 2.361 20 5 EEBDRM O=[N+]([O-])c1ccc(CNc2ccc(Cl)c(-c3nn[nH]n3)n2)cc1 ZINC000738361683 576345864 /nfs/dbraw/zinc/34/58/64/576345864.db2.gz XZDSMKUAVPOHGJ-UHFFFAOYSA-N -1 0 331.723 2.435 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000734876529 577333042 /nfs/dbraw/zinc/33/30/42/577333042.db2.gz DEXXXWUXVOZMPD-CYBMUJFWSA-N -1 0 328.328 2.206 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000777286965 577476057 /nfs/dbraw/zinc/47/60/57/577476057.db2.gz MONZDABWGXFDEM-UHFFFAOYSA-N -1 0 340.382 2.012 20 5 EEBDRM CSc1cccc(C(=O)[N-]S(=O)(=O)CC2CCC2)c1[N+](=O)[O-] ZINC000777343824 577476995 /nfs/dbraw/zinc/47/69/95/577476995.db2.gz HUOZKTVSUZNGES-UHFFFAOYSA-N -1 0 344.414 2.176 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000765604828 577503836 /nfs/dbraw/zinc/50/38/36/577503836.db2.gz ONSYKLXFJHRNCM-CYBMUJFWSA-N -1 0 340.401 2.020 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000767051478 577529760 /nfs/dbraw/zinc/52/97/60/577529760.db2.gz KTVNAAWLQGWZDI-INIZCTEOSA-N -1 0 347.327 2.222 20 5 EEBDRM O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])[N-]OCc1ccccc1 ZINC000758115028 577616095 /nfs/dbraw/zinc/61/60/95/577616095.db2.gz WPEVRIOQDVNXNC-UHFFFAOYSA-N -1 0 348.286 2.139 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000755778240 577831015 /nfs/dbraw/zinc/83/10/15/577831015.db2.gz IJVVKMHFCPQKAR-UHFFFAOYSA-N -1 0 344.389 2.099 20 5 EEBDRM CN(Cc1ccc(O)cc1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000746335428 577926265 /nfs/dbraw/zinc/92/62/65/577926265.db2.gz MLKFMTWPYZREAE-UHFFFAOYSA-N -1 0 330.296 2.271 20 5 EEBDRM CC1(C)C(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1(C)C ZINC000747119149 577939587 /nfs/dbraw/zinc/93/95/87/577939587.db2.gz QXIOLWJDTUWFIL-UHFFFAOYSA-N -1 0 332.403 2.143 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738887936 578030023 /nfs/dbraw/zinc/03/00/23/578030023.db2.gz IGGILLYAJVLVRH-UHFFFAOYSA-N -1 0 334.259 2.493 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2COc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000740081489 578080155 /nfs/dbraw/zinc/08/01/55/578080155.db2.gz PLKXBSDYHPFDLC-LBPRGKRZSA-N -1 0 342.307 2.483 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc3[nH]c(=O)oc3c2)cc([N+](=O)[O-])c1 ZINC000740088439 578080323 /nfs/dbraw/zinc/08/03/23/578080323.db2.gz HZQVOQFCOWWICC-UHFFFAOYSA-N -1 0 343.251 2.392 20 5 EEBDRM O=C([O-])c1cc(OS(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000740087837 578080329 /nfs/dbraw/zinc/08/03/29/578080329.db2.gz QEKYMUPZCUQKRX-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC000736644901 578216145 /nfs/dbraw/zinc/21/61/45/578216145.db2.gz AEGZSYUQBTYCKI-SECBINFHSA-N -1 0 333.300 2.446 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)CC(=O)[O-] ZINC000736712923 578219548 /nfs/dbraw/zinc/21/95/48/578219548.db2.gz RSMCDYXIZDQJQQ-VIFPVBQESA-N -1 0 326.374 2.445 20 5 EEBDRM Cc1c(Oc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000737217325 578244032 /nfs/dbraw/zinc/24/40/32/578244032.db2.gz BQYHUVOPCLEEEX-UHFFFAOYSA-N -1 0 343.259 2.179 20 5 EEBDRM CN(Cc1ccccn1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000737493455 578260899 /nfs/dbraw/zinc/26/08/99/578260899.db2.gz AFJSDNACYYCWCU-UHFFFAOYSA-N -1 0 332.272 2.233 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737963658 578274701 /nfs/dbraw/zinc/27/47/01/578274701.db2.gz ZSIQDLLDQKZCLF-CQSZACIVSA-N -1 0 348.286 2.298 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000818778445 597038884 /nfs/dbraw/zinc/03/88/84/597038884.db2.gz IRCQEQUDMRJZHG-SNVBAGLBSA-N -1 0 339.304 2.041 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000820449268 597407033 /nfs/dbraw/zinc/40/70/33/597407033.db2.gz XYXJOLMQPQPNON-MADCSZMMSA-N -1 0 339.304 2.041 20 5 EEBDRM O=C([O-])C1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821508640 598207666 /nfs/dbraw/zinc/20/76/66/598207666.db2.gz CPLQPBBDASJTAV-UHFFFAOYSA-N -1 0 328.271 2.010 20 5 EEBDRM CCC(CC)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000828838675 600976633 /nfs/dbraw/zinc/97/66/33/600976633.db2.gz YXFRMUIUFUSNOV-UHFFFAOYSA-N -1 0 339.304 2.185 20 5 EEBDRM COc1cc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000831865928 601142823 /nfs/dbraw/zinc/14/28/23/601142823.db2.gz BJDJOAMCONDHGB-UHFFFAOYSA-N -1 0 348.286 2.474 20 5 EEBDRM CO[C@H]1C[C@@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000831532628 601830278 /nfs/dbraw/zinc/83/02/78/601830278.db2.gz WHDUXODMCLBJKQ-MNOVXSKESA-N -1 0 339.304 2.427 20 5 EEBDRM CCc1nnc2n1C[C@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)CC2 ZINC000830338822 602316079 /nfs/dbraw/zinc/31/60/79/602316079.db2.gz CHIKHVCSHDWTCH-SNVBAGLBSA-N -1 0 345.359 2.182 20 5 EEBDRM O=C([O-])Nc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000833288013 602350252 /nfs/dbraw/zinc/35/02/52/602350252.db2.gz SDOBTRIGYZKGDH-UHFFFAOYSA-N -1 0 330.300 2.052 20 5 EEBDRM O=C([O-])C=Cc1ccc(N[C@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])c1 ZINC000833196822 604810749 /nfs/dbraw/zinc/81/07/49/604810749.db2.gz FCJMMDIHRQZSKA-ZYVOWACSSA-N -1 0 328.328 2.385 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000833623783 604876908 /nfs/dbraw/zinc/87/69/08/604876908.db2.gz QVQRPPPDDHRMPL-RDDDGLTNSA-N -1 0 346.261 2.406 20 5 EEBDRM CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120589868 675247726 /nfs/dbraw/zinc/24/77/26/675247726.db2.gz QOAAXOIEHYNCFV-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cnn1C ZINC000177830784 676393059 /nfs/dbraw/zinc/39/30/59/676393059.db2.gz NGOGMMHOZAIPRD-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM CCCn1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000174744010 683586340 /nfs/dbraw/zinc/58/63/40/683586340.db2.gz DXQMIOYQDFFPCN-UHFFFAOYSA-N -1 0 328.325 2.141 20 5 EEBDRM CCCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cn1 ZINC000174746215 683591219 /nfs/dbraw/zinc/59/12/19/683591219.db2.gz ARFSQQUSBYIKER-UHFFFAOYSA-N -1 0 342.352 2.450 20 5 EEBDRM COc1cccc(N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000866283936 1201483175 /nfs/dbraw/zinc/48/31/75/1201483175.db2.gz GPHZVSQNDNQRLO-ZDUSSCGKSA-N -1 0 347.293 2.251 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H](Cc2nccs2)C1 ZINC000890227541 1204810001 /nfs/dbraw/zinc/81/00/01/1204810001.db2.gz MIARWVRSQSUZKF-JTQLQIEISA-N -1 0 333.369 2.462 20 5 EEBDRM O=C(OCc1ccc(Br)cn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000778329223 1208142637 /nfs/dbraw/zinc/14/26/37/1208142637.db2.gz SSGCRGUIMNIMGF-UHFFFAOYSA-N -1 0 326.106 2.437 20 5 EEBDRM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779663433 1210723799 /nfs/dbraw/zinc/72/37/99/1210723799.db2.gz GFHCRNIHVNDLAG-UHFFFAOYSA-N -1 0 347.283 2.017 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000194722554 1211259995 /nfs/dbraw/zinc/25/99/95/1211259995.db2.gz GAQSGQZEZNXDNI-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000120017698 1229652992 /nfs/dbraw/zinc/65/29/92/1229652992.db2.gz IFNNMBBFFTZLGR-UHFFFAOYSA-N -1 0 346.299 2.051 20 5 EEBDRM O=C(NC[C@H]1COc2ccccc2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780325528 1258780120 /nfs/dbraw/zinc/78/01/20/1258780120.db2.gz GQBYXMFGPNRWDQ-NSHDSACASA-N -1 0 328.324 2.282 20 5 EEBDRM CCc1occc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000797557336 1290572728 /nfs/dbraw/zinc/57/27/28/1290572728.db2.gz TZSKUXPZDYHQPS-UHFFFAOYSA-N -1 0 342.304 2.008 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2[N+](=O)[O-])cc1N ZINC001210953779 1295596520 /nfs/dbraw/zinc/59/65/20/1295596520.db2.gz PXYLISMWXWHKLY-UHFFFAOYSA-N -1 0 325.321 2.425 20 5 EEBDRM CCOC(=O)c1cc(Nc2cc(=O)[n-]c(OC)n2)cc([N+](=O)[O-])c1 ZINC001211367049 1295847720 /nfs/dbraw/zinc/84/77/20/1295847720.db2.gz CEEOJALGKXMBEI-UHFFFAOYSA-N -1 0 334.288 2.019 20 5 EEBDRM COc1ccc(OC(C)C)c(COc2[n-]c(=O)ncc2[N+](=O)[O-])c1 ZINC001226332187 1301362234 /nfs/dbraw/zinc/36/22/34/1301362234.db2.gz TUUFSRPUPHAHGO-UHFFFAOYSA-N -1 0 335.316 2.465 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2cccc(OC)c2)c1[N+](=O)[O-] ZINC001226648951 1301494054 /nfs/dbraw/zinc/49/40/54/1301494054.db2.gz GQUGJOUSUGDPIW-QMMMGPOBSA-N -1 0 349.299 2.026 20 5 EEBDRM COC(=O)[C@H]1CCC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228604400 1302333936 /nfs/dbraw/zinc/33/39/36/1302333936.db2.gz RKSVUJSOPOLMER-VHSXEESVSA-N -1 0 337.332 2.078 20 5 EEBDRM COC(=O)[C@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001231261240 1303709549 /nfs/dbraw/zinc/70/95/49/1303709549.db2.gz ZPKWQQBJJXHMRE-CYBMUJFWSA-N -1 0 336.275 2.436 20 5 EEBDRM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000782261316 1304011255 /nfs/dbraw/zinc/01/12/55/1304011255.db2.gz NKWVAFMLJGXEOU-UHFFFAOYSA-N -1 0 334.309 2.066 20 5 EEBDRM CC[C@H](C)CCC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000797233765 1304676091 /nfs/dbraw/zinc/67/60/91/1304676091.db2.gz MZXDTDFMTFIGNB-VIFPVBQESA-N -1 0 332.353 2.365 20 5 EEBDRM CC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000835232478 1314906182 /nfs/dbraw/zinc/90/61/82/1314906182.db2.gz VLEHJAOWZHLARW-MWLCHTKSSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000835276165 1314908699 /nfs/dbraw/zinc/90/86/99/1314908699.db2.gz KXBQHDPZWBRGMP-XPTSAGLGSA-N -1 0 344.364 2.365 20 5 EEBDRM CC(C)[C@@H](CO)O[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000836897656 1315040257 /nfs/dbraw/zinc/04/02/57/1315040257.db2.gz HYGYCNDFIHLJHD-TVQRCGJNSA-N -1 0 346.767 2.080 20 5 EEBDRM CN(CCC(=O)[O-])c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841505856 1315566936 /nfs/dbraw/zinc/56/69/36/1315566936.db2.gz IIUSSCFUZXNPAY-UHFFFAOYSA-N -1 0 337.210 2.433 20 5 EEBDRM CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842407839 1315699000 /nfs/dbraw/zinc/69/90/00/1315699000.db2.gz ZLKUVSGMMOWDON-UHFFFAOYSA-N -1 0 328.390 2.285 20 5 EEBDRM Cn1cnc(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)c1 ZINC001258999375 1319408848 /nfs/dbraw/zinc/40/88/48/1319408848.db2.gz FUYRJXTXQRHECQ-UHFFFAOYSA-N -1 0 339.380 2.317 20 5 EEBDRM Cc1ccc(Cl)cc1NC(=O)Cn1cc([N+](=O)[O-])c(C(=O)[O-])n1 ZINC001600426331 1350048182 /nfs/dbraw/zinc/04/81/82/1350048182.db2.gz QUVSCJCUUIUMJD-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM CCc1ccc(C(=O)NCc2ccc(C(=O)[O-])nc2)cc1[N+](=O)[O-] ZINC001605804575 1351225930 /nfs/dbraw/zinc/22/59/30/1351225930.db2.gz JIUBXMAZIZRFMC-UHFFFAOYSA-N -1 0 329.312 2.180 20 5 EEBDRM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001608595446 1351722155 /nfs/dbraw/zinc/72/21/55/1351722155.db2.gz OBTWJCQSQWWLRG-ZBFHGGJFSA-N -1 0 346.339 2.265 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001608600223 1351724060 /nfs/dbraw/zinc/72/40/60/1351724060.db2.gz XKQHEEMRCWWTJY-WMFXKJRFSA-N -1 0 343.339 2.401 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001608754699 1351756004 /nfs/dbraw/zinc/75/60/04/1351756004.db2.gz ZBIWMAUVAJZUSX-AAEUAGOBSA-N -1 0 347.371 2.178 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc([N+](=O)[O-])c1 ZINC001608836601 1351774885 /nfs/dbraw/zinc/77/48/85/1351774885.db2.gz KQLCUPOQJCWRKR-ADEWGFFLSA-N -1 0 340.282 2.457 20 5 EEBDRM O=C([O-])c1ccoc1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001608956326 1351802675 /nfs/dbraw/zinc/80/26/75/1351802675.db2.gz OJHSGUIKIWLBPD-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001320513659 1332900703 /nfs/dbraw/zinc/90/07/03/1332900703.db2.gz OWNOVAININLPJP-GFCCVEGCSA-N -1 0 326.374 2.226 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)ccn1 ZINC001609025537 1351818111 /nfs/dbraw/zinc/81/81/11/1351818111.db2.gz FSOBIFWRFFOUEM-UHFFFAOYSA-N -1 0 343.251 2.186 20 5 EEBDRM Cc1ccc(COC(=O)CCc2c(C)nc[nH]c2=O)cc1[N+](=O)[O-] ZINC001329452401 1334654176 /nfs/dbraw/zinc/65/41/76/1334654176.db2.gz IMCWJMXMJMCCTE-UHFFFAOYSA-N -1 0 331.328 2.383 20 5 EEBDRM CC[C@](CNc1c([N+](=O)[O-])c(C)nn1C)(C(=O)[O-])c1ccccc1 ZINC001609921866 1352120273 /nfs/dbraw/zinc/12/02/73/1352120273.db2.gz ZWPZWUCOBCEVBT-MRXNPFEDSA-N -1 0 332.360 2.481 20 5 EEBDRM CN(C)c1cc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccn1 ZINC001610104117 1352163004 /nfs/dbraw/zinc/16/30/04/1352163004.db2.gz BEZXZWNNFOOJQU-UHFFFAOYSA-N -1 0 345.311 2.111 20 5 EEBDRM CN(c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001610126069 1352167819 /nfs/dbraw/zinc/16/78/19/1352167819.db2.gz JDACVGKHAJOPFX-UHFFFAOYSA-N -1 0 335.360 2.034 20 5 EEBDRM Cc1c(NC(=O)N[C@@]2(C)CCCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610426593 1352221127 /nfs/dbraw/zinc/22/11/27/1352221127.db2.gz VSWYOIIVELXGQT-HNNXBMFYSA-N -1 0 337.332 2.292 20 5 EEBDRM Cc1c(NC(=O)/C=C/c2cnccn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610422671 1352220215 /nfs/dbraw/zinc/22/02/15/1352220215.db2.gz PJFOXAKXRRCREF-NSCUHMNNSA-N -1 0 328.284 2.043 20 5 EEBDRM Cc1cc(C)cc([C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C(=O)[O-])c1 ZINC001610456881 1352225514 /nfs/dbraw/zinc/22/55/14/1352225514.db2.gz ORGGXEXVACXKEM-AWEZNQCLSA-N -1 0 329.312 2.162 20 5 EEBDRM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001610649106 1352257432 /nfs/dbraw/zinc/25/74/32/1352257432.db2.gz WMUBYXWREDKHFH-UHFFFAOYSA-N -1 0 336.691 2.176 20 5 EEBDRM O=C([O-])c1ccccc1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001610670764 1352259333 /nfs/dbraw/zinc/25/93/33/1352259333.db2.gz FQRGJRDMHKNPBJ-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM O=C([O-])c1cccc2[nH]c(NC(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC001610712444 1352263322 /nfs/dbraw/zinc/26/33/22/1352263322.db2.gz AHDBSHGXQHXYSN-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])c1cnc(Nc2ccc(OCCCO)cc2)c([N+](=O)[O-])c1 ZINC001610862537 1352286963 /nfs/dbraw/zinc/28/69/63/1352286963.db2.gz FQQHLFVTHALQJA-UHFFFAOYSA-N -1 0 333.300 2.193 20 5 EEBDRM O=C([O-])c1ccc(Oc2nccn(C(F)F)c2=O)cc1[N+](=O)[O-] ZINC001610838991 1352283319 /nfs/dbraw/zinc/28/33/19/1352283319.db2.gz QMSYGGOZGADSTH-UHFFFAOYSA-N -1 0 327.199 2.037 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2Cc3ccccc3N(C)C2)n1 ZINC001600106454 1349972112 /nfs/dbraw/zinc/97/21/12/1349972112.db2.gz CSDOSRVJRJKPNP-LBPRGKRZSA-N -1 0 342.355 2.469 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)C(=O)OC(C)(C)C)n1 ZINC001600105177 1349972129 /nfs/dbraw/zinc/97/21/29/1349972129.db2.gz BFEROGDPLDKROB-QMMMGPOBSA-N -1 0 325.321 2.139 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Oc2ccc(C(N)=O)c(C)c2)n1 ZINC001600106370 1349972219 /nfs/dbraw/zinc/97/22/19/1349972219.db2.gz NFTYUBFIGWHYAI-UHFFFAOYSA-N -1 0 331.284 2.196 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCc1cnc(C(=O)[O-])cn1 ZINC001600164066 1349983464 /nfs/dbraw/zinc/98/34/64/1349983464.db2.gz CMNZTKHRJUTQBX-UHFFFAOYSA-N -1 0 331.284 2.057 20 5 EEBDRM Cc1cc(OCC(=O)Nc2cccc(C(=O)[O-])n2)ccc1[N+](=O)[O-] ZINC001600290666 1350012660 /nfs/dbraw/zinc/01/26/60/1350012660.db2.gz YLNFEZHSCUMZMO-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(C(=O)[O-])cc2F)n1 ZINC001600304544 1350015643 /nfs/dbraw/zinc/01/56/43/1350015643.db2.gz XYMDTUDGORTNPA-UHFFFAOYSA-N -1 0 333.275 2.066 20 5 EEBDRM Cc1nc(N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)ncc1[N+](=O)[O-] ZINC001600714344 1350120019 /nfs/dbraw/zinc/12/00/19/1350120019.db2.gz NUBKISDXRYEPKK-VIFPVBQESA-N -1 0 332.316 2.330 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC001601214962 1350233157 /nfs/dbraw/zinc/23/31/57/1350233157.db2.gz UJASBQVBJMKEHU-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cn1 ZINC001601386653 1350271778 /nfs/dbraw/zinc/27/17/78/1350271778.db2.gz GIKJWMDSBUPSPE-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccnc1 ZINC001601402922 1350275530 /nfs/dbraw/zinc/27/55/30/1350275530.db2.gz BIPZAUDANAZCNH-GFCCVEGCSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([O-])C(=O)CCCOC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001601636864 1350325522 /nfs/dbraw/zinc/32/55/22/1350325522.db2.gz QGGCKQFBMPVGAD-UHFFFAOYSA-N -1 0 349.217 2.204 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](O)CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001601770023 1350359977 /nfs/dbraw/zinc/35/99/77/1350359977.db2.gz SIRIQBMKNPDEQU-NKWVEPMBSA-N -1 0 335.143 2.173 20 5 EEBDRM O=C([O-])Cc1ccc(NCCOc2ncccc2F)c([N+](=O)[O-])c1 ZINC001602138747 1350448236 /nfs/dbraw/zinc/44/82/36/1350448236.db2.gz SLGCKKLJQSIMKO-UHFFFAOYSA-N -1 0 335.291 2.247 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccc3n[nH]cc3c2)cc([N+](=O)[O-])c1 ZINC001602247869 1350476021 /nfs/dbraw/zinc/47/60/21/1350476021.db2.gz KTLRPJSLELEJMT-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cccc3c2OCC3)cc([N+](=O)[O-])c1 ZINC001602285564 1350485765 /nfs/dbraw/zinc/48/57/65/1350485765.db2.gz SDJUALOJXPSAAQ-UHFFFAOYSA-N -1 0 328.280 2.480 20 5 EEBDRM O=C([O-])c1cnc(COc2cc(Cl)c([N+](=O)[O-])cc2F)cn1 ZINC001602522131 1350538116 /nfs/dbraw/zinc/53/81/16/1350538116.db2.gz ZERQUTPQHMMWJC-UHFFFAOYSA-N -1 0 327.655 2.455 20 5 EEBDRM CC(=O)N1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC001603021253 1350623008 /nfs/dbraw/zinc/62/30/08/1350623008.db2.gz YQCJNNMOTVKIIF-GFCCVEGCSA-N -1 0 335.360 2.272 20 5 EEBDRM CC(C)(C(=O)OCCc1ccccc1C(=O)[O-])n1cc([N+](=O)[O-])cn1 ZINC001603293565 1350681878 /nfs/dbraw/zinc/68/18/78/1350681878.db2.gz KSUMNVMQRLFPLU-UHFFFAOYSA-N -1 0 347.327 2.011 20 5 EEBDRM CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)[O-] ZINC001603744423 1350756723 /nfs/dbraw/zinc/75/67/23/1350756723.db2.gz QWXHTADKFJKCRU-CYBMUJFWSA-N -1 0 333.300 2.047 20 5 EEBDRM CC(C)[C@@]1(C)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001603744836 1350756742 /nfs/dbraw/zinc/75/67/42/1350756742.db2.gz CJJQVGPZKZKOHG-TZMCWYRMSA-N -1 0 342.373 2.006 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001603933994 1350804869 /nfs/dbraw/zinc/80/48/69/1350804869.db2.gz ASOVYEGDCOIRSP-LBPRGKRZSA-N -1 0 336.344 2.461 20 5 EEBDRM C[C@H](CNC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccccc1[N+](=O)[O-] ZINC001604178365 1350885119 /nfs/dbraw/zinc/88/51/19/1350885119.db2.gz YXFPLFRTGAFAMV-DGCLKSJQSA-N -1 0 349.387 2.498 20 5 EEBDRM C[C@@](NC(=O)c1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001604312502 1350913296 /nfs/dbraw/zinc/91/32/96/1350913296.db2.gz CLWQRDNEGNQFSZ-INIZCTEOSA-N -1 0 332.287 2.464 20 5 EEBDRM C[C@@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC001604363569 1350923841 /nfs/dbraw/zinc/92/38/41/1350923841.db2.gz JPOJEULQQIKAJI-LLVKDONJSA-N -1 0 343.339 2.410 20 5 EEBDRM C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)C(=O)[O-] ZINC001604457611 1350941778 /nfs/dbraw/zinc/94/17/78/1350941778.db2.gz NQOHFOFZLVKZPQ-SECBINFHSA-N -1 0 342.376 2.221 20 5 EEBDRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001604657322 1350978880 /nfs/dbraw/zinc/97/88/80/1350978880.db2.gz LLOJUTIYGAKGMP-RYUDHWBXSA-N -1 0 349.387 2.131 20 5 EEBDRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC001604741501 1350995219 /nfs/dbraw/zinc/99/52/19/1350995219.db2.gz KBCVWNBDDPMCEP-AQNFWKISSA-N -1 0 332.356 2.410 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001604899486 1351027623 /nfs/dbraw/zinc/02/76/23/1351027623.db2.gz HBBJAQGDCFRBRY-OAHLLOKOSA-N -1 0 326.324 2.426 20 5 EEBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CF)C(=O)[O-] ZINC001605348595 1351143024 /nfs/dbraw/zinc/14/30/24/1351143024.db2.gz VEWCHJJCIMGOGP-SNVBAGLBSA-N -1 0 330.337 2.249 20 5 EEBDRM COc1cc(C(=O)OCc2ccc(C(=O)[O-])cn2)ccc1[N+](=O)[O-] ZINC001607146082 1351437902 /nfs/dbraw/zinc/43/79/02/1351437902.db2.gz WHCNUWWSQULIEP-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1cc(C(=O)OCC2(CC(=O)[O-])CC2)c([N+](=O)[O-])cc1F ZINC001607146142 1351437968 /nfs/dbraw/zinc/43/79/68/1351437968.db2.gz XTFYNDYVPCOLNY-UHFFFAOYSA-N -1 0 327.264 2.154 20 5 EEBDRM COc1cccc(C(=O)OCc2cccc(C(=O)[O-])n2)c1[N+](=O)[O-] ZINC001607307704 1351470047 /nfs/dbraw/zinc/47/00/47/1351470047.db2.gz ZSYVPPJWKVKZKS-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@]1(C)C(=O)[O-] ZINC001607471074 1351498763 /nfs/dbraw/zinc/49/87/63/1351498763.db2.gz JIVHRKVKMYCZHH-BONVTDFDSA-N -1 0 338.385 2.256 20 5 EEBDRM Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cnn1CC(=O)[O-] ZINC001607547709 1351514096 /nfs/dbraw/zinc/51/40/96/1351514096.db2.gz CAPZTHSGATWZSD-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1cc(OCC(=O)Nc2cccc(C(=O)[O-])c2O)ccc1[N+](=O)[O-] ZINC001607701368 1351542531 /nfs/dbraw/zinc/54/25/31/1351542531.db2.gz FLIWOQLWBJRIRR-UHFFFAOYSA-N -1 0 346.295 2.325 20 5 EEBDRM Cn1c(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])nnc1C1CCC1 ZINC001608087878 1351622679 /nfs/dbraw/zinc/62/26/79/1351622679.db2.gz HSOIQZZKJIZETO-UHFFFAOYSA-N -1 0 345.359 2.230 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCC1 ZINC000835275173 1372608783 /nfs/dbraw/zinc/60/87/83/1372608783.db2.gz BALJMMHGHNCVLC-UHFFFAOYSA-N -1 0 344.364 2.365 20 5 EEBDRM COc1ccccc1OCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436950653 783704882 /nfs/dbraw/zinc/70/48/82/783704882.db2.gz PVMOKBWABJHWTP-UHFFFAOYSA-N -1 0 346.339 2.460 20 5 EEBDRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000821124330 786609816 /nfs/dbraw/zinc/60/98/16/786609816.db2.gz SJLLAPTYZATPJJ-GFCCVEGCSA-N -1 0 348.352 2.207 20 5 EEBDRM CC(C)C(=O)N1CCC(CN(C)c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001062204746 787614417 /nfs/dbraw/zinc/61/44/17/787614417.db2.gz OUODANKVVSGNAH-UHFFFAOYSA-N -1 0 336.392 2.026 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(c2cccc(F)n2)CC1 ZINC000824811239 788311935 /nfs/dbraw/zinc/31/19/35/788311935.db2.gz YCFIFRKLXRNEIT-UHFFFAOYSA-N -1 0 332.335 2.157 20 5 EEBDRM CN(C[C@]1(O)CCc2ccccc21)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000843950265 788750427 /nfs/dbraw/zinc/75/04/27/788750427.db2.gz DXMUEPWIOIVIKB-GOSISDBHSA-N -1 0 342.351 2.206 20 5 EEBDRM O=C([N-]S(=O)(=O)CC1CCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000165083970 789373696 /nfs/dbraw/zinc/37/36/96/789373696.db2.gz XEHBVZGLGYDPOV-UHFFFAOYSA-N -1 0 332.765 2.108 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000176508431 795183371 /nfs/dbraw/zinc/18/33/71/795183371.db2.gz CDSMHGAZQBMYKQ-ZETCQYMHSA-N -1 0 332.765 2.099 20 5 EEBDRM CNC(=O)Cc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001174505218 797784929 /nfs/dbraw/zinc/78/49/29/797784929.db2.gz UYFWPWAGSWRFDY-UHFFFAOYSA-N -1 0 329.312 2.325 20 5 EEBDRM O=C([O-])c1cc(Nc2cccc3c2CCNC3=O)cc([N+](=O)[O-])c1 ZINC001176680234 798526045 /nfs/dbraw/zinc/52/60/45/798526045.db2.gz VRGPHTKWBVNDLK-UHFFFAOYSA-N -1 0 327.296 2.323 20 5 EEBDRM Cc1c(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cccc1[N+](=O)[O-] ZINC000791019298 809035226 /nfs/dbraw/zinc/03/52/26/809035226.db2.gz XOPLPZJNHGEUBC-UHFFFAOYSA-N -1 0 331.284 2.447 20 5 EEBDRM CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000791815215 809430817 /nfs/dbraw/zinc/43/08/17/809430817.db2.gz APPDJNIPWPCTQW-SSDOTTSWSA-N -1 0 349.796 2.072 20 5 EEBDRM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000804476086 810876332 /nfs/dbraw/zinc/87/63/32/810876332.db2.gz JPXHKCFOQPLBEL-ZBEGNZNMSA-N -1 0 330.340 2.461 20 5 EEBDRM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000804492600 810899538 /nfs/dbraw/zinc/89/95/38/810899538.db2.gz XKSNTZTVOHUIAF-NHYWBVRUSA-N -1 0 330.340 2.461 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1COC2=O ZINC000808126583 812447574 /nfs/dbraw/zinc/44/75/74/812447574.db2.gz AVOOKBHMTSMLDP-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM O=C([O-])C1(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000836716317 939223726 /nfs/dbraw/zinc/22/37/26/939223726.db2.gz IUDNETVEFARDMJ-UHFFFAOYSA-N -1 0 344.726 2.443 20 5 EEBDRM O=C([O-])[C@]1(NC(=O)c2ccc([N+](=O)[O-])s2)CCc2ccccc21 ZINC000610846279 939807946 /nfs/dbraw/zinc/80/79/46/939807946.db2.gz YXHTWDTXHLPCGP-HNNXBMFYSA-N -1 0 332.337 2.312 20 5 EEBDRM CC[C@H](OC(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001589578734 948991954 /nfs/dbraw/zinc/99/19/54/948991954.db2.gz NLWCHOVIYFBUMY-QMMMGPOBSA-N -1 0 332.106 2.377 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001595271850 949839609 /nfs/dbraw/zinc/83/96/09/949839609.db2.gz RNWMAKOZTXXRGU-UHFFFAOYSA-N -1 0 328.284 2.236 20 5 EEBDRM O=C([O-])c1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cn1 ZINC001595214601 952369489 /nfs/dbraw/zinc/36/94/89/952369489.db2.gz QMIMYZVLHMLGHK-UHFFFAOYSA-N -1 0 326.268 2.329 20 5 EEBDRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)O2 ZINC001594749809 953412535 /nfs/dbraw/zinc/41/25/35/953412535.db2.gz QSROECJCJNKLOH-XNVJVGRKSA-N -1 0 349.343 2.129 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001589271725 953414514 /nfs/dbraw/zinc/41/45/14/953414514.db2.gz GBGTVZCKVJRUCS-VHSXEESVSA-N -1 0 331.328 2.259 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001594919272 954794667 /nfs/dbraw/zinc/79/46/67/954794667.db2.gz NUOUKDWVNHFJKK-VIFPVBQESA-N -1 0 326.736 2.114 20 5 EEBDRM O=C([O-])/C=C\c1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)co1 ZINC001594968654 955081989 /nfs/dbraw/zinc/08/19/89/955081989.db2.gz AKMMTKCAETWTIK-PLNGDYQASA-N -1 0 330.296 2.258 20 5 EEBDRM C[C@@H](NC(=O)C1(C(=O)[O-])CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC001589090955 955938902 /nfs/dbraw/zinc/93/89/02/955938902.db2.gz MGSGQWKIIRDPRJ-SNVBAGLBSA-N -1 0 338.385 2.370 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001589183693 956547460 /nfs/dbraw/zinc/54/74/60/956547460.db2.gz HSPKEXNSZNSAQT-ZDUSSCGKSA-N -1 0 328.271 2.152 20 5 EEBDRM C[C@@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001594200690 959247583 /nfs/dbraw/zinc/24/75/83/959247583.db2.gz JSNRWNPRZUNUPG-SCDSUCTJSA-N -1 0 336.344 2.042 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001594217390 959340073 /nfs/dbraw/zinc/34/00/73/959340073.db2.gz QKYFHGUSZAJURU-ZWNOBZJWSA-N -1 0 334.328 2.022 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001574226384 960398039 /nfs/dbraw/zinc/39/80/39/960398039.db2.gz VYDPSGUDHOSXGD-CQSZACIVSA-N -1 0 348.286 2.298 20 5 EEBDRM C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001573725249 960398361 /nfs/dbraw/zinc/39/83/61/960398361.db2.gz BIDCOHIRMCRUKP-GWCFXTLKSA-N -1 0 338.335 2.236 20 5 EEBDRM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574306340 960738243 /nfs/dbraw/zinc/73/82/43/960738243.db2.gz GEHBKYFXFWKYJC-ZJUUUORDSA-N -1 0 340.307 2.251 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001604180445 972601773 /nfs/dbraw/zinc/60/17/73/972601773.db2.gz KIWPVDMXUXYLDZ-HNNXBMFYSA-N -1 0 334.372 2.487 20 5 EEBDRM C[C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC001603417572 973129545 /nfs/dbraw/zinc/12/95/45/973129545.db2.gz UFRRTDYIRKENRZ-ONGXEEELSA-N -1 0 340.763 2.360 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1cc(C(=O)[O-])nn1C ZINC001605309932 973130686 /nfs/dbraw/zinc/13/06/86/973130686.db2.gz WALBHONQUQAHIH-UHFFFAOYSA-N -1 0 333.300 2.000 20 5 EEBDRM CC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001603587104 973777393 /nfs/dbraw/zinc/77/73/93/973777393.db2.gz GULJOWCODXULNT-VIFPVBQESA-N -1 0 332.106 2.377 20 5 EEBDRM COc1ccc(NC(=O)[C@@H](C)SCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001604809615 974047805 /nfs/dbraw/zinc/04/78/05/974047805.db2.gz LXEVNQAVUAHFNF-MRVPVSSYSA-N -1 0 328.346 2.138 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccnc1 ZINC001592303439 977657315 /nfs/dbraw/zinc/65/73/15/977657315.db2.gz KBHLZJRUUBMQAJ-MRXNPFEDSA-N -1 0 347.302 2.249 20 5 EEBDRM CC[C@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001595317266 980490170 /nfs/dbraw/zinc/49/01/70/980490170.db2.gz POWPDTBBHNIYFS-CABZTGNLSA-N -1 0 335.360 2.398 20 5 EEBDRM Nc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC001574805863 983277710 /nfs/dbraw/zinc/27/77/10/983277710.db2.gz ACBQANUAOHQWBW-LBPRGKRZSA-N -1 0 344.327 2.167 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC001574813036 983281610 /nfs/dbraw/zinc/28/16/10/983281610.db2.gz VJJZUQHSPZOKAO-NSHDSACASA-N -1 0 332.287 2.332 20 5 EEBDRM C[C@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001599893876 984729024 /nfs/dbraw/zinc/72/90/24/984729024.db2.gz HHRLOYPBKYIODN-LZFBMIIGSA-N -1 0 347.371 2.454 20 5 EEBDRM C[C@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)C1O ZINC001594560949 986309201 /nfs/dbraw/zinc/30/92/01/986309201.db2.gz CWIYKYRDSHDNQX-YUMQZZPRSA-N -1 0 328.752 2.400 20 5 EEBDRM C[C@H]1c2cccn2CCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594671485 986983755 /nfs/dbraw/zinc/98/37/55/986983755.db2.gz ONRCJSMOITYKGE-JTQLQIEISA-N -1 0 329.312 2.312 20 5 EEBDRM C[C@H]1c2cccn2CCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594671556 986985154 /nfs/dbraw/zinc/98/51/54/986985154.db2.gz RKTZRAJAJPICGQ-LBPRGKRZSA-N -1 0 345.355 2.437 20 5 EEBDRM C[C@@H](C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCOCC1 ZINC001589549338 987284163 /nfs/dbraw/zinc/28/41/63/987284163.db2.gz ZWVDVAHVGQYTEB-SNVBAGLBSA-N -1 0 337.328 2.399 20 5 EEBDRM CC[C@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)c1cccc([N+](=O)[O-])c1 ZINC001597335715 987471643 /nfs/dbraw/zinc/47/16/43/987471643.db2.gz BJLYFTSXLMIQKX-LBPRGKRZSA-N -1 0 347.331 2.299 20 5 EEBDRM CCc1cccnc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597621797 988552942 /nfs/dbraw/zinc/55/29/42/988552942.db2.gz SKFPFLDUQNHMEY-KRWDZBQOSA-N -1 0 343.339 2.282 20 5 EEBDRM CCc1ncncc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001597708929 988955275 /nfs/dbraw/zinc/95/52/75/988955275.db2.gz CBOGJDSYPXTLAQ-UHFFFAOYSA-N -1 0 330.300 2.206 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)OCc2cc(C(=O)[O-])ccc2F)n1 ZINC001597899693 989771696 /nfs/dbraw/zinc/77/16/96/989771696.db2.gz PKLSRDPNFOOHCJ-UHFFFAOYSA-N -1 0 337.263 2.006 20 5 EEBDRM CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598007006 990162648 /nfs/dbraw/zinc/16/26/48/990162648.db2.gz RVFOZXUHZCBSAC-VSGCLNPGSA-N -1 0 348.355 2.089 20 5 EEBDRM CC(C)(CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)CC(=O)[O-] ZINC001590757381 990556757 /nfs/dbraw/zinc/55/67/57/990556757.db2.gz QQICIGNPVWQFMP-UHFFFAOYSA-N -1 0 346.343 2.011 20 5 EEBDRM CN(CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])CC(F)F ZINC001598495599 992355395 /nfs/dbraw/zinc/35/53/95/992355395.db2.gz KPXSJRDMBVVQNV-HYXAFXHYSA-N -1 0 329.303 2.301 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CC[C@H](C(=O)[O-])[C@@H]2C)c([N+](=O)[O-])c1 ZINC001591657273 992989783 /nfs/dbraw/zinc/98/97/83/992989783.db2.gz LGLDLZDLOYRKBI-JQWIXIFHSA-N -1 0 335.360 2.032 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171698 994033428 /nfs/dbraw/zinc/03/34/28/994033428.db2.gz YMYGIJVIMXTINA-GXFFZTMASA-N -1 0 347.371 2.034 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001599621991 994096684 /nfs/dbraw/zinc/09/66/84/994096684.db2.gz JHSMLCMYFFVSFQ-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM COC(=O)c1cc(C(=O)Oc2cccc(C(=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC001598926963 997665793 /nfs/dbraw/zinc/66/57/93/997665793.db2.gz WTWSOKDLZUVFPS-UHFFFAOYSA-N -1 0 345.263 2.299 20 5 EEBDRM COc1c(F)nccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599328651 997709253 /nfs/dbraw/zinc/70/92/53/997709253.db2.gz VSBUHECEWPBJIA-UHFFFAOYSA-N -1 0 335.247 2.088 20 5 EEBDRM COc1c(O)ccc(CNCc2cc(C)c(C(=O)[O-])o2)c1[N+](=O)[O-] ZINC001599344096 997971725 /nfs/dbraw/zinc/97/17/25/997971725.db2.gz BWQHDHSQXUGPDP-UHFFFAOYSA-N -1 0 336.300 2.198 20 5 EEBDRM COCC(C)(C)CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599145176 998200625 /nfs/dbraw/zinc/20/06/25/998200625.db2.gz HGVALWZXEVWWNS-UHFFFAOYSA-N -1 0 339.348 2.396 20 5 EEBDRM C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001594396892 999496191 /nfs/dbraw/zinc/49/61/91/999496191.db2.gz SGCGYCKZTFCGPK-AAEUAGOBSA-N -1 0 336.344 2.075 20 5 EEBDRM C[C@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1F ZINC001594431995 999607840 /nfs/dbraw/zinc/60/78/40/999607840.db2.gz PABOEMLTLQQFHV-XVKPBYJWSA-N -1 0 327.268 2.386 20 5 EEBDRM CCC[C@](C)(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000236845334 242380100 /nfs/dbraw/zinc/38/01/00/242380100.db2.gz DAZBIHQDRCEHMP-INIZCTEOSA-N -1 0 346.343 2.154 20 5 EEBDRM Cc1nc(C)c(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000237604556 242712077 /nfs/dbraw/zinc/71/20/77/242712077.db2.gz OYOWOMCIABSTLO-UHFFFAOYSA-N -1 0 349.368 2.339 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)/C=C\C(C)(C)C)c([N+](=O)[O-])c1 ZINC000491837602 246175179 /nfs/dbraw/zinc/17/51/79/246175179.db2.gz HZJPPBCKCPYURL-FPLPWBNLSA-N -1 0 342.373 2.011 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492212913 246349646 /nfs/dbraw/zinc/34/96/46/246349646.db2.gz DYBUCAWHHJOXII-QZPNVGJNSA-N -1 0 336.319 2.460 20 5 EEBDRM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000273605354 256311195 /nfs/dbraw/zinc/31/11/95/256311195.db2.gz SEACIHLMIUPTDV-WDEREUQCSA-N -1 0 346.380 2.217 20 5 EEBDRM CCO[C@@H](CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000173521733 286200183 /nfs/dbraw/zinc/20/01/83/286200183.db2.gz JWVUBLYRRZEPOK-ZDUSSCGKSA-N -1 0 348.396 2.463 20 5 EEBDRM CCCC[C@@H](NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000262666460 152303662 /nfs/dbraw/zinc/30/36/62/152303662.db2.gz NLZVJKGEMIJMDU-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263118964 152379307 /nfs/dbraw/zinc/37/93/07/152379307.db2.gz LTQLCLHXOCPZCK-UWVGGRQHSA-N -1 0 337.332 2.178 20 5 EEBDRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263171383 152394586 /nfs/dbraw/zinc/39/45/86/152394586.db2.gz FZLJZAQNUHYMQO-AOOOYVTPSA-N -1 0 347.352 2.311 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cn(Cc2ccccc2)nn1 ZINC000092547218 159222786 /nfs/dbraw/zinc/22/27/86/159222786.db2.gz ZQLJOEKRJIXBRP-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CC(=O)Nc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000103531256 159278976 /nfs/dbraw/zinc/27/89/76/159278976.db2.gz XBWVEWRAFSAQHU-UHFFFAOYSA-N -1 0 343.339 2.231 20 5 EEBDRM Cn1cnc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])c2)n1 ZINC000180868815 159944557 /nfs/dbraw/zinc/94/45/57/159944557.db2.gz UYZWXCTVQCXISL-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM CN1CCOc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21 ZINC000183002893 159968512 /nfs/dbraw/zinc/96/85/12/159968512.db2.gz IRKQNADTKAPRRB-UHFFFAOYSA-N -1 0 329.312 2.381 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000238039617 160227520 /nfs/dbraw/zinc/22/75/20/160227520.db2.gz AIVUZGRMRXFNRA-UHFFFAOYSA-N -1 0 329.312 2.135 20 5 EEBDRM O=C([O-])c1cccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000238135301 160228713 /nfs/dbraw/zinc/22/87/13/160228713.db2.gz LHQOZKGLBVRYLQ-UHFFFAOYSA-N -1 0 329.312 2.021 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000341892883 161021999 /nfs/dbraw/zinc/02/19/99/161021999.db2.gz BOPLGHDSQMZRDI-RXMQYKEDSA-N -1 0 332.687 2.477 20 5 EEBDRM COC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000343766241 161166443 /nfs/dbraw/zinc/16/64/43/161166443.db2.gz DPBYRTRIQHIBMR-UHFFFAOYSA-N -1 0 330.296 2.017 20 5 EEBDRM Nc1c(C(=O)Nc2cccc(CCC(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000344040931 161192912 /nfs/dbraw/zinc/19/29/12/161192912.db2.gz FHAZYZNPSYQUEE-UHFFFAOYSA-N -1 0 329.312 2.447 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2noc(C(C)(C)C)n2)c([N+](=O)[O-])c1 ZINC000355251240 163123268 /nfs/dbraw/zinc/12/32/68/163123268.db2.gz GCGZFNIKSBTCIR-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM CCC[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000355459528 163197764 /nfs/dbraw/zinc/19/77/64/163197764.db2.gz VJLRNWCTJFJBNU-SECBINFHSA-N -1 0 344.389 2.411 20 5 EEBDRM O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182071008 268510524 /nfs/dbraw/zinc/51/05/24/268510524.db2.gz DACVGSSFLJOEAB-KGLIPLIRSA-N -1 0 330.344 2.411 20 5 EEBDRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000275194741 269102264 /nfs/dbraw/zinc/10/22/64/269102264.db2.gz AHHNOFBXEBCLBB-JTQLQIEISA-N -1 0 344.389 2.085 20 5 EEBDRM CC(C)c1ncc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000280335627 269352716 /nfs/dbraw/zinc/35/27/16/269352716.db2.gz QVYQBDGFSGSORF-UHFFFAOYSA-N -1 0 336.373 2.450 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000288127711 275026901 /nfs/dbraw/zinc/02/69/01/275026901.db2.gz MEBCHRARWMIJSY-UHFFFAOYSA-N -1 0 348.388 2.466 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1NCCCNC(=O)c1cccc(O)c1 ZINC000289020271 275095802 /nfs/dbraw/zinc/09/58/02/275095802.db2.gz XZDGUVWSUDMZGV-UHFFFAOYSA-N -1 0 347.375 2.057 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)ccc1[N+](=O)[O-] ZINC000290492571 275212245 /nfs/dbraw/zinc/21/22/45/275212245.db2.gz JLNQHAUHTJETOU-UHFFFAOYSA-N -1 0 336.373 2.315 20 5 EEBDRM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000364365795 302799103 /nfs/dbraw/zinc/79/91/03/302799103.db2.gz SKJAXKLBROXYFA-AWEZNQCLSA-N -1 0 330.344 2.320 20 5 EEBDRM Cn1cnc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2)n1 ZINC000183543627 303012696 /nfs/dbraw/zinc/01/26/96/303012696.db2.gz CXDYUSUHESMHAL-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM O=C([O-])C[C@@H]1CSCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000320638691 311595420 /nfs/dbraw/zinc/59/54/20/311595420.db2.gz HQRJSZLEQGHKMJ-FOQNGQEVSA-N -1 0 336.369 2.027 20 5 EEBDRM COCCN(Cc1cncs1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436811511 315000591 /nfs/dbraw/zinc/00/05/91/315000591.db2.gz VCWIIQUYGORQEB-UHFFFAOYSA-N -1 0 337.357 2.046 20 5 EEBDRM COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1NC(N)=O ZINC000436823009 315002472 /nfs/dbraw/zinc/00/24/72/315002472.db2.gz RWCSCALSIASSIF-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000436876781 315008610 /nfs/dbraw/zinc/00/86/10/315008610.db2.gz KPMPGRWALHGMGP-UHFFFAOYSA-N -1 0 333.275 2.477 20 5 EEBDRM O=C(NCc1cc(F)cc2c1OCOC2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436988937 315019995 /nfs/dbraw/zinc/01/99/95/315019995.db2.gz QPHQVHCGWVAPHB-UHFFFAOYSA-N -1 0 348.286 2.236 20 5 EEBDRM C[C@](CO)(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])Cc1ccccc1 ZINC000436999810 315022233 /nfs/dbraw/zinc/02/22/33/315022233.db2.gz RSZSYTAJIORBHH-GOSISDBHSA-N -1 0 344.367 2.272 20 5 EEBDRM CN1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])Cc2ccccc21 ZINC000444538695 315306827 /nfs/dbraw/zinc/30/68/27/315306827.db2.gz CMFAKRYICRVSCH-GFCCVEGCSA-N -1 0 341.367 2.339 20 5 EEBDRM CNC(=O)Oc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000495704974 316063574 /nfs/dbraw/zinc/06/35/74/316063574.db2.gz ZWCUAXRJYBHNFO-UHFFFAOYSA-N -1 0 331.284 2.271 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CCCCC1 ZINC000516463045 316559726 /nfs/dbraw/zinc/55/97/26/316559726.db2.gz DPALUTJZSWKYPX-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000519066432 316760178 /nfs/dbraw/zinc/76/01/78/316760178.db2.gz CAEMYGGUZRKRIO-BXUZGUMPSA-N -1 0 335.360 2.032 20 5 EEBDRM Cc1cc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000538585084 318038060 /nfs/dbraw/zinc/03/80/60/318038060.db2.gz BWQZPEIWZQIHEF-UHFFFAOYSA-N -1 0 344.323 2.410 20 5 EEBDRM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000540924953 318083969 /nfs/dbraw/zinc/08/39/69/318083969.db2.gz NQLDPSXHDICFTF-UHFFFAOYSA-N -1 0 344.323 2.344 20 5 EEBDRM COc1ccccc1OCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000540947936 318087005 /nfs/dbraw/zinc/08/70/05/318087005.db2.gz QPDXHPVCOYPXHQ-UHFFFAOYSA-N -1 0 332.312 2.118 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(Cc2ccsc2)CC1 ZINC000543731834 318170042 /nfs/dbraw/zinc/17/00/42/318170042.db2.gz ZZRKXEYCIAPBAO-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM CCC[C@H](C)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000547936586 318335212 /nfs/dbraw/zinc/33/52/12/318335212.db2.gz NYMSOIQZYPHKLC-GWCFXTLKSA-N -1 0 344.389 2.153 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000563214167 318984875 /nfs/dbraw/zinc/98/48/75/318984875.db2.gz PSDSQFMCUWNAEZ-LLVKDONJSA-N -1 0 333.369 2.397 20 5 EEBDRM O=C([O-])c1cc(N2CCC(O[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000563813535 319045693 /nfs/dbraw/zinc/04/56/93/319045693.db2.gz NNSQQEHUFMDSPL-CYBMUJFWSA-N -1 0 336.344 2.067 20 5 EEBDRM COc1ccc2c(c1)OC[C@@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000563959276 319059388 /nfs/dbraw/zinc/05/93/88/319059388.db2.gz FRVLFVPVNYPNIN-JTQLQIEISA-N -1 0 345.311 2.112 20 5 EEBDRM O=C([O-])c1ccnc(NCc2ccnc(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000564800524 319111173 /nfs/dbraw/zinc/11/11/73/319111173.db2.gz JXJJBNURJCOTIE-UHFFFAOYSA-N -1 0 343.343 2.295 20 5 EEBDRM CC[C@H](C)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000565831524 319218822 /nfs/dbraw/zinc/21/88/22/319218822.db2.gz VIEFEHOKCXGQBA-WCBMZHEXSA-N -1 0 344.389 2.314 20 5 EEBDRM O=C([O-])c1ccnc(NC2CCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000566976717 319337905 /nfs/dbraw/zinc/33/79/05/319337905.db2.gz UTYRGPKIFQEYJH-UHFFFAOYSA-N -1 0 348.281 2.127 20 5 EEBDRM CC1(C)[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]2CCO[C@@H]21 ZINC000567050192 319343676 /nfs/dbraw/zinc/34/36/76/319343676.db2.gz FYMGLCJBHAWVKE-WQHBLYJGSA-N -1 0 340.763 2.497 20 5 EEBDRM Cc1cnc(N2CCC(n3cc(C(=O)[O-])cn3)CC2)c([N+](=O)[O-])c1 ZINC000567356541 319373055 /nfs/dbraw/zinc/37/30/55/319373055.db2.gz OVKOJJRNDSWQBP-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000569579490 319590396 /nfs/dbraw/zinc/59/03/96/319590396.db2.gz NOIWKSYRMIXUQI-QPUJVOFHSA-N -1 0 328.752 2.187 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000573094960 319904579 /nfs/dbraw/zinc/90/45/79/319904579.db2.gz TYOVDRMGTQCIBZ-LBPRGKRZSA-N -1 0 328.328 2.467 20 5 EEBDRM Cc1nn(C)c(C)c1C[C@@H](C)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000574328956 320015904 /nfs/dbraw/zinc/01/59/04/320015904.db2.gz VAKURJAKJJXRDU-MRVPVSSYSA-N -1 0 333.348 2.081 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000575045790 320082667 /nfs/dbraw/zinc/08/26/67/320082667.db2.gz QUDDOUZVACHJQN-VXGBXAGGSA-N -1 0 335.360 2.027 20 5 EEBDRM Cc1nnc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1C1CC1 ZINC000575991283 320131916 /nfs/dbraw/zinc/13/19/16/320131916.db2.gz PFQOQNXXPYWNBG-UHFFFAOYSA-N -1 0 337.723 2.441 20 5 EEBDRM CCC(CC)(NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000391286942 323546917 /nfs/dbraw/zinc/54/69/17/323546917.db2.gz NEQIHVCASOAYGP-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000325751631 465029716 /nfs/dbraw/zinc/02/97/16/465029716.db2.gz FFKOVERZZVEBMH-UHFFFAOYSA-N -1 0 326.308 2.492 20 5 EEBDRM COCc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000351187483 465088797 /nfs/dbraw/zinc/08/87/97/465088797.db2.gz ZDAAUIZPAUPILJ-UHFFFAOYSA-N -1 0 347.349 2.138 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000339192162 465132831 /nfs/dbraw/zinc/13/28/31/465132831.db2.gz MMQZTVZAGFIIEE-CMPLNLGQSA-N -1 0 334.294 2.293 20 5 EEBDRM CN(C)C(=O)c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356309406 465305294 /nfs/dbraw/zinc/30/52/94/465305294.db2.gz GLHVFQWNDOVUMA-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000089531099 462690609 /nfs/dbraw/zinc/69/06/09/462690609.db2.gz ATRCQHVQPOQYCP-UHFFFAOYSA-N -1 0 327.296 2.437 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000013443604 462892737 /nfs/dbraw/zinc/89/27/37/462892737.db2.gz TYBBLCLWJHIUOA-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000134767080 463080255 /nfs/dbraw/zinc/08/02/55/463080255.db2.gz BGZVZUGHRXDLQJ-UHFFFAOYSA-N -1 0 341.345 2.263 20 5 EEBDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000135040520 463110500 /nfs/dbraw/zinc/11/05/00/463110500.db2.gz SKKRIYFUTBMWHR-UHFFFAOYSA-N -1 0 330.753 2.389 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)cc1[N+](=O)[O-] ZINC000160646739 463358464 /nfs/dbraw/zinc/35/84/64/463358464.db2.gz DVBKIWKMSYLSCR-UHFFFAOYSA-N -1 0 340.361 2.251 20 5 EEBDRM CC(C)Cc1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000059132372 463640636 /nfs/dbraw/zinc/64/06/36/463640636.db2.gz LNHBBAGYGUVNIF-UHFFFAOYSA-N -1 0 342.402 2.446 20 5 EEBDRM O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000152152610 463653453 /nfs/dbraw/zinc/65/34/53/463653453.db2.gz YTBHTLKWMHPGAF-CQDKDKBSSA-N -1 0 332.356 2.378 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000184899209 463714677 /nfs/dbraw/zinc/71/46/77/463714677.db2.gz XPSCSDDVPZYHFL-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000276828358 463771270 /nfs/dbraw/zinc/77/12/70/463771270.db2.gz APDXRULZQJHOOP-LLVKDONJSA-N -1 0 344.389 2.085 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000194739728 463920967 /nfs/dbraw/zinc/92/09/67/463920967.db2.gz FCLNCJOPKJBEKO-UHFFFAOYSA-N -1 0 340.361 2.348 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)o2)cc1[N+](=O)[O-] ZINC000194792537 463928316 /nfs/dbraw/zinc/92/83/16/463928316.db2.gz STYASLLRRWIWKB-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM CCCCc1nnc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000194802835 463931340 /nfs/dbraw/zinc/93/13/40/463931340.db2.gz DDPCPZMHHSLSKW-UHFFFAOYSA-N -1 0 340.361 2.262 20 5 EEBDRM O=C(NCc1ccc2c(c1)OCCCO2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356520856 465433005 /nfs/dbraw/zinc/43/30/05/465433005.db2.gz ZKIUDPLGBYXPGU-UHFFFAOYSA-N -1 0 344.323 2.392 20 5 EEBDRM O=c1[nH]nc(S/C=C/c2ccc([N+](=O)[O-])o2)n1C[C@@H]1CCCO1 ZINC000283807865 464017948 /nfs/dbraw/zinc/01/79/48/464017948.db2.gz IPDDPWLMYITDKC-STUBTGCMSA-N -1 0 338.345 2.015 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263095876 464057923 /nfs/dbraw/zinc/05/79/23/464057923.db2.gz JKABQMXTNMDBNL-NXEZZACHSA-N -1 0 337.332 2.178 20 5 EEBDRM O=C([O-])CCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000263476834 464111686 /nfs/dbraw/zinc/11/16/86/464111686.db2.gz MWMFGHUTZPAWAM-ZDUSSCGKSA-N -1 0 335.360 2.349 20 5 EEBDRM CCCC[C@H](Nc1nccc(C(=O)OCC)c1[N+](=O)[O-])C(=O)[O-] ZINC000263552586 464127508 /nfs/dbraw/zinc/12/75/08/464127508.db2.gz LZLGWNSQHKMLSA-JTQLQIEISA-N -1 0 325.321 2.222 20 5 EEBDRM Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])nc1 ZINC000179534819 464153595 /nfs/dbraw/zinc/15/35/95/464153595.db2.gz NDBZJWDGUVQVJX-UHFFFAOYSA-N -1 0 330.344 2.236 20 5 EEBDRM CCCc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n(C)n1 ZINC000179839203 464197260 /nfs/dbraw/zinc/19/72/60/464197260.db2.gz WWKXGDGDVDTFGU-UHFFFAOYSA-N -1 0 342.352 2.221 20 5 EEBDRM Cc1csc([C@@H]2COCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000189023424 464417102 /nfs/dbraw/zinc/41/71/02/464417102.db2.gz DQMRGUTXEILSFO-LBPRGKRZSA-N -1 0 349.368 2.279 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000238095581 464431444 /nfs/dbraw/zinc/43/14/44/464431444.db2.gz SMQSWQBFVSMZHO-LBPRGKRZSA-N -1 0 347.371 2.132 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000294463330 464508023 /nfs/dbraw/zinc/50/80/23/464508023.db2.gz BLVMNKOYVCIMBT-VDIMJTJOSA-N -1 0 330.340 2.320 20 5 EEBDRM C[S@@](=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000175908401 464656440 /nfs/dbraw/zinc/65/64/40/464656440.db2.gz MSVIFRIROROTQI-YEBMWUKDSA-N -1 0 348.380 2.150 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CCSC2)c1 ZINC000286156395 464821992 /nfs/dbraw/zinc/82/19/92/464821992.db2.gz XSUUPXOMVQPHLT-ZCFIWIBFSA-N -1 0 340.785 2.171 20 5 EEBDRM Cc1noc([C@H]2CCCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000286442183 464919625 /nfs/dbraw/zinc/91/96/25/464919625.db2.gz OGTHCAIAUFTMBX-LLVKDONJSA-N -1 0 332.316 2.359 20 5 EEBDRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1 ZINC000192517399 464940523 /nfs/dbraw/zinc/94/05/23/464940523.db2.gz IAOQBPLDUDFQQN-UHFFFAOYSA-N -1 0 349.368 2.097 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1O ZINC000351753103 465339545 /nfs/dbraw/zinc/33/95/45/465339545.db2.gz CVJSIYVVJCGGGK-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000299396296 465731777 /nfs/dbraw/zinc/73/17/77/465731777.db2.gz KXQHRZQYNJZPGV-UHFFFAOYSA-N -1 0 348.299 2.265 20 5 EEBDRM COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C(=O)[O-] ZINC000338082101 465805939 /nfs/dbraw/zinc/80/59/39/465805939.db2.gz KGULFEOMHFTVHR-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000338220761 465913842 /nfs/dbraw/zinc/91/38/42/465913842.db2.gz GLSVCNQPUMJJLM-UHFFFAOYSA-N -1 0 336.325 2.118 20 5 EEBDRM CC(C)C[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC(=O)N1 ZINC000361664045 466186914 /nfs/dbraw/zinc/18/69/14/466186914.db2.gz ZGQPPNWPXJJYKB-CMPLNLGQSA-N -1 0 335.360 2.180 20 5 EEBDRM CCc1oc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1C(=O)OC ZINC000338543002 466210574 /nfs/dbraw/zinc/21/05/74/466210574.db2.gz ISRPOOJNFWVHLU-UHFFFAOYSA-N -1 0 334.284 2.495 20 5 EEBDRM O=C(NCCc1c[nH]c2ncccc12)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354340446 466488912 /nfs/dbraw/zinc/48/89/12/466488912.db2.gz PLMWIWTWNNRBOZ-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(Cl)cc2)ccc1[O-] ZINC000314438648 466549959 /nfs/dbraw/zinc/54/99/59/466549959.db2.gz ZRCREGBTBBHFSP-UHFFFAOYSA-N -1 0 342.760 2.432 20 5 EEBDRM CC1CCC(N(C)S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000314830102 466555457 /nfs/dbraw/zinc/55/54/57/466555457.db2.gz STZNSXIBPDBLCE-UHFFFAOYSA-N -1 0 328.390 2.500 20 5 EEBDRM COc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000347374980 466596523 /nfs/dbraw/zinc/59/65/23/466596523.db2.gz RNUZAXXEBDMFEH-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCCCc2ccccc2)ccc1[O-] ZINC000319942035 466601590 /nfs/dbraw/zinc/60/15/90/466601590.db2.gz FBMWDGHFJXWYOZ-UHFFFAOYSA-N -1 0 336.369 2.212 20 5 EEBDRM Cc1nc([C@H]2CCCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)no1 ZINC000363798883 466622133 /nfs/dbraw/zinc/62/21/33/466622133.db2.gz JVAGXOUJUNBKLO-LLVKDONJSA-N -1 0 332.316 2.359 20 5 EEBDRM CC(=O)N1Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2C1 ZINC000370268861 466818762 /nfs/dbraw/zinc/81/87/62/466818762.db2.gz NLEAKAYXALTKSS-UHFFFAOYSA-N -1 0 341.323 2.415 20 5 EEBDRM CCOC(=O)c1ccnc(NC[C@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000424375364 467035163 /nfs/dbraw/zinc/03/51/63/467035163.db2.gz MYDJBZSDMAZXCH-JTQLQIEISA-N -1 0 339.348 2.325 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCCC(=O)[O-] ZINC000427748318 467175854 /nfs/dbraw/zinc/17/58/54/467175854.db2.gz NMZQOYRBPMPUOE-VIFPVBQESA-N -1 0 344.751 2.339 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CC2 ZINC000405425521 467481986 /nfs/dbraw/zinc/48/19/86/467481986.db2.gz VEUHWRIFUVSFHB-JHAQOBCDSA-N -1 0 330.340 2.321 20 5 EEBDRM O=C(c1c([O-])cccc1F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436607383 467546842 /nfs/dbraw/zinc/54/68/42/467546842.db2.gz IPWFGWRCBLHBOR-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM C[S@@](=O)Cc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436715586 467551888 /nfs/dbraw/zinc/55/18/88/467551888.db2.gz YAFOMBKFJSUMSP-XMMPIXPASA-N -1 0 348.380 2.109 20 5 EEBDRM C[C@H](O)[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000514731742 467952000 /nfs/dbraw/zinc/95/20/00/467952000.db2.gz SFDKZFRBFLQFLU-KWQFWETISA-N -1 0 328.752 2.329 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]([C@H](CO)C2CC2)C2CC2)n1 ZINC000515302421 467983883 /nfs/dbraw/zinc/98/38/83/467983883.db2.gz SMKXKHDNAABZLC-CHWSQXEVSA-N -1 0 335.360 2.205 20 5 EEBDRM C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCOC1 ZINC000520587047 468260641 /nfs/dbraw/zinc/26/06/41/468260641.db2.gz RTPMSVLRVBINEY-DTWKUNHWSA-N -1 0 328.752 2.499 20 5 EEBDRM CC(C)(C)OCCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594850631 468703972 /nfs/dbraw/zinc/70/39/72/468703972.db2.gz XDJGUQIQZBWZEU-UHFFFAOYSA-N -1 0 334.369 2.217 20 5 EEBDRM CC(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cc1[N+](=O)[O-] ZINC000592468193 468704766 /nfs/dbraw/zinc/70/47/66/468704766.db2.gz HGWQWWXINYIMHH-CQSZACIVSA-N -1 0 346.343 2.007 20 5 EEBDRM Cc1cccc(N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c1[N+](=O)[O-] ZINC000583568019 468717915 /nfs/dbraw/zinc/71/79/15/468717915.db2.gz UFSUQJMNZDNJGZ-NSHDSACASA-N -1 0 331.332 2.034 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)cnn1C ZINC000583651551 468735584 /nfs/dbraw/zinc/73/55/84/468735584.db2.gz OZBNBTBMWBLHPA-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000571083989 468737853 /nfs/dbraw/zinc/73/78/53/468737853.db2.gz YLHHKXLSSIYLHI-CMPLNLGQSA-N -1 0 346.343 2.330 20 5 EEBDRM Cc1cnc(N(C)Cc2ccc(OCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000583755702 468751270 /nfs/dbraw/zinc/75/12/70/468751270.db2.gz BLHDBTRRTKLMNR-UHFFFAOYSA-N -1 0 331.328 2.398 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N=c1nc(CC(C)C)[n-]s1 ZINC000598191756 468791275 /nfs/dbraw/zinc/79/12/75/468791275.db2.gz RXWVFKJSVSDIHU-UHFFFAOYSA-N -1 0 336.373 2.328 20 5 EEBDRM COc1ccc(CC(=O)N(CC(=O)[O-])CC(C)(C)C)cc1[N+](=O)[O-] ZINC000595277215 468798897 /nfs/dbraw/zinc/79/88/97/468798897.db2.gz AFDXGWFFGNOIDP-UHFFFAOYSA-N -1 0 338.360 2.105 20 5 EEBDRM C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000573377563 469119582 /nfs/dbraw/zinc/11/95/82/469119582.db2.gz QZUFOXPNJMMWNW-VHSXEESVSA-N -1 0 342.373 2.150 20 5 EEBDRM C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C(=O)[O-])C1 ZINC000563287728 469220606 /nfs/dbraw/zinc/22/06/06/469220606.db2.gz CTTZABVZIFDWQM-GWCFXTLKSA-N -1 0 346.343 2.330 20 5 EEBDRM CCCn1ccc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000603316941 469346677 /nfs/dbraw/zinc/34/66/77/469346677.db2.gz DKGBQDOASAHUIU-UHFFFAOYSA-N -1 0 341.364 2.424 20 5 EEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000612528956 469487388 /nfs/dbraw/zinc/48/73/88/469487388.db2.gz UASCJLQBCYHVCA-QMMMGPOBSA-N -1 0 342.311 2.373 20 5 EEBDRM Cc1nc([C@H]2CCCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)no1 ZINC000613970258 469824841 /nfs/dbraw/zinc/82/48/41/469824841.db2.gz MRFRUHKCDLLLDC-CYBMUJFWSA-N -1 0 332.316 2.359 20 5 EEBDRM CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180839882 526840549 /nfs/dbraw/zinc/84/05/49/526840549.db2.gz XABHIUPCSKEVPC-NSHDSACASA-N -1 0 343.767 2.443 20 5 EEBDRM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000155040030 527713702 /nfs/dbraw/zinc/71/37/02/527713702.db2.gz HCPNFJWDGZYLKW-ZDUSSCGKSA-N -1 0 348.396 2.055 20 5 EEBDRM CC(C)CN(CC(=O)[O-])C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000190718549 527923865 /nfs/dbraw/zinc/92/38/65/527923865.db2.gz QQWYPMDQEWGSCZ-UHFFFAOYSA-N -1 0 328.752 2.360 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738478137 578016540 /nfs/dbraw/zinc/01/65/40/578016540.db2.gz BMEGMUCYEXVDAH-ZDUSSCGKSA-N -1 0 347.371 2.028 20 5 EEBDRM C[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000737696205 576249921 /nfs/dbraw/zinc/24/99/21/576249921.db2.gz UITYFKZIAXYKPK-OQPBUACISA-N -1 0 335.291 2.361 20 5 EEBDRM COC(=O)c1cc(C(=O)OCc2cc(C(=O)[O-])co2)cc([N+](=O)[O-])c1 ZINC000737654498 576254712 /nfs/dbraw/zinc/25/47/12/576254712.db2.gz PCUMMLUXWUKQHB-UHFFFAOYSA-N -1 0 349.251 2.030 20 5 EEBDRM CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000726857052 576304733 /nfs/dbraw/zinc/30/47/33/576304733.db2.gz QTCKEIJJRGQXCY-UHFFFAOYSA-N -1 0 334.781 2.489 20 5 EEBDRM COc1cc(-c2noc(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)n2)ccn1 ZINC000737846419 577041434 /nfs/dbraw/zinc/04/14/34/577041434.db2.gz YLXDPFLJXIZCSG-UHFFFAOYSA-N -1 0 342.267 2.414 20 5 EEBDRM CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000773922390 577373230 /nfs/dbraw/zinc/37/32/30/577373230.db2.gz OCVADYYCOXMGMG-SNVBAGLBSA-N -1 0 326.374 2.226 20 5 EEBDRM CCc1ccc(CS(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000774547509 577403155 /nfs/dbraw/zinc/40/31/55/577403155.db2.gz GUSZWYWIGSSBSM-UHFFFAOYSA-N -1 0 348.380 2.417 20 5 EEBDRM CCCCC[C@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000776665041 577465655 /nfs/dbraw/zinc/46/56/55/577465655.db2.gz YEUNWYQXCLDAFE-LBPRGKRZSA-N -1 0 338.360 2.296 20 5 EEBDRM COc1cccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000768201436 577552053 /nfs/dbraw/zinc/55/20/53/577552053.db2.gz BGBJIBUIPLKOAR-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM CC1(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000759404626 577642257 /nfs/dbraw/zinc/64/22/57/577642257.db2.gz TUDTUXHIOWYYOR-UHFFFAOYSA-N -1 0 332.765 2.243 20 5 EEBDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000763976794 577728951 /nfs/dbraw/zinc/72/89/51/577728951.db2.gz HHYPLZDMUSPMTQ-SNVBAGLBSA-N -1 0 328.390 2.333 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)/C=C1\CC[C@H](C)C1 ZINC000753803542 577793926 /nfs/dbraw/zinc/79/39/26/577793926.db2.gz ULEDVAITEZNTFT-LZAIMSLLSA-N -1 0 338.385 2.455 20 5 EEBDRM O=C([O-])[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000739615777 578061068 /nfs/dbraw/zinc/06/10/68/578061068.db2.gz NLFPYKWKGDYDPF-INIZCTEOSA-N -1 0 344.323 2.326 20 5 EEBDRM O=C([O-])CCSCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000739752804 578066602 /nfs/dbraw/zinc/06/66/02/578066602.db2.gz XGICNFUOHCABHC-UHFFFAOYSA-N -1 0 339.373 2.099 20 5 EEBDRM O=C([O-])NCc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000739989244 578076691 /nfs/dbraw/zinc/07/66/91/578076691.db2.gz SUQBNKSIHVPPPC-UHFFFAOYSA-N -1 0 345.311 2.380 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)CCNC(=O)[O-] ZINC000736494195 578207734 /nfs/dbraw/zinc/20/77/34/578207734.db2.gz IWEXGLLJSYWJCA-UHFFFAOYSA-N -1 0 326.305 2.083 20 5 EEBDRM CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737339214 578251376 /nfs/dbraw/zinc/25/13/76/578251376.db2.gz TUMTWPIWWJMFTH-CQSZACIVSA-N -1 0 329.312 2.075 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCC(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000833253011 600825080 /nfs/dbraw/zinc/82/50/80/600825080.db2.gz DIGGMSGRNPJHDB-UHFFFAOYSA-N -1 0 347.371 2.257 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000833252383 600826204 /nfs/dbraw/zinc/82/62/04/600826204.db2.gz MMPUXCOTEDVJEQ-UHFFFAOYSA-N -1 0 347.371 2.180 20 5 EEBDRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1[N+](=O)[O-] ZINC000830232328 601060266 /nfs/dbraw/zinc/06/02/66/601060266.db2.gz ODMQEOQXORETLW-AWEZNQCLSA-N -1 0 329.312 2.108 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c[nH]1 ZINC000833306092 601257634 /nfs/dbraw/zinc/25/76/34/601257634.db2.gz CWIRCROCSXUAJU-UHFFFAOYSA-N -1 0 346.704 2.042 20 5 EEBDRM Cn1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1C(=O)[O-] ZINC000833051743 601312442 /nfs/dbraw/zinc/31/24/42/601312442.db2.gz ILYYXSHKZXKEHV-UHFFFAOYSA-N -1 0 328.284 2.365 20 5 EEBDRM C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000828360900 601680077 /nfs/dbraw/zinc/68/00/77/601680077.db2.gz DDWPPDZEJHFXGP-KCJUWKMLSA-N -1 0 341.751 2.110 20 5 EEBDRM O=C([O-])c1c2c(sc1NC(=O)c1ccc([N+](=O)[O-])cn1)CCC2 ZINC000833163922 602396576 /nfs/dbraw/zinc/39/65/76/602396576.db2.gz ZXTHLJFIOCNWBH-UHFFFAOYSA-N -1 0 333.325 2.491 20 5 EEBDRM O=C([O-])CCN(C[C@@H]1CCCO1)c1ncc([N+](=O)[O-])cc1Cl ZINC000833232917 604351663 /nfs/dbraw/zinc/35/16/63/604351663.db2.gz RRNXNZWGSNSRDB-JTQLQIEISA-N -1 0 329.740 2.103 20 5 EEBDRM CC[C@@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000820411592 605147432 /nfs/dbraw/zinc/14/74/32/605147432.db2.gz UOGNSNKPDACSFK-SECBINFHSA-N -1 0 345.149 2.259 20 5 EEBDRM CC1([C@H]2CCCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)OCCO1 ZINC000833563449 605386850 /nfs/dbraw/zinc/38/68/50/605386850.db2.gz FMALWMXEAJSVTQ-LBPRGKRZSA-N -1 0 336.344 2.272 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1=CCCCC1 ZINC000123487442 684797888 /nfs/dbraw/zinc/79/78/88/684797888.db2.gz YFGHGAZRFZSMOD-UHFFFAOYSA-N -1 0 328.321 2.039 20 5 EEBDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000842334316 1188641593 /nfs/dbraw/zinc/64/15/93/1188641593.db2.gz UWALGVAMGAVBKS-JTQLQIEISA-N -1 0 344.389 2.240 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[C@@H]1C(=O)[O-] ZINC000863732988 1197842904 /nfs/dbraw/zinc/84/29/04/1197842904.db2.gz FILKKGCXIHPVBQ-PWSUYJOCSA-N -1 0 349.343 2.098 20 5 EEBDRM C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[C@@H]1C(=O)[O-] ZINC000863734195 1197843601 /nfs/dbraw/zinc/84/36/01/1197843601.db2.gz LNIOOTZMHDSLPZ-KOLCDFICSA-N -1 0 333.344 2.027 20 5 EEBDRM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120558352 1198208763 /nfs/dbraw/zinc/20/87/63/1198208763.db2.gz LPDFJCHVRLDPRQ-UWVGGRQHSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C2(F)CCCCC2)ccc1[N+](=O)[O-] ZINC000810588596 1199610059 /nfs/dbraw/zinc/61/00/59/1199610059.db2.gz SDAGNPAFUQYARM-UHFFFAOYSA-N -1 0 344.364 2.381 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000812318257 1200637287 /nfs/dbraw/zinc/63/72/87/1200637287.db2.gz WPJACDZBWCBWLR-UHFFFAOYSA-N -1 0 333.369 2.091 20 5 EEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866284395 1201483875 /nfs/dbraw/zinc/48/38/75/1201483875.db2.gz BYGZFNXFHRWDCD-GFCCVEGCSA-N -1 0 335.257 2.381 20 5 EEBDRM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779674962 1210750961 /nfs/dbraw/zinc/75/09/61/1210750961.db2.gz NALXAYHQYYYHKO-WXHSDQCUSA-N -1 0 340.426 2.410 20 5 EEBDRM COc1ccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000795399673 1212095599 /nfs/dbraw/zinc/09/55/99/1212095599.db2.gz FOUMNJBNCPWDMO-UHFFFAOYSA-N -1 0 347.283 2.147 20 5 EEBDRM O=C(NC[C@@H]1COc2ccccc2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780325524 1258779947 /nfs/dbraw/zinc/77/99/47/1258779947.db2.gz GQBYXMFGPNRWDQ-LLVKDONJSA-N -1 0 328.324 2.282 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C2CC3(CC3)C2)cc([N+](=O)[O-])c1C ZINC000850733808 1277319234 /nfs/dbraw/zinc/31/92/34/1277319234.db2.gz VMODQQASZYROJE-UHFFFAOYSA-N -1 0 338.385 2.207 20 5 EEBDRM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])o1 ZINC000815021023 1278033751 /nfs/dbraw/zinc/03/37/51/1278033751.db2.gz AUFWLXQNRXQLFV-UHFFFAOYSA-N -1 0 349.727 2.162 20 5 EEBDRM CC(F)(F)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000815066035 1278047722 /nfs/dbraw/zinc/04/77/22/1278047722.db2.gz CVIYEWRQUAEYOY-UHFFFAOYSA-N -1 0 332.687 2.321 20 5 EEBDRM O=C(NCC1SCCS1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000856158845 1293427327 /nfs/dbraw/zinc/42/73/27/1293427327.db2.gz DJUCKRZWKHZUMT-UHFFFAOYSA-N -1 0 334.806 2.490 20 5 EEBDRM C[C@H](Oc1[n-]c(=O)nnc1Br)c1ccccc1[N+](=O)[O-] ZINC001227065226 1301670024 /nfs/dbraw/zinc/67/00/24/1301670024.db2.gz YCTNDBLALSJGSI-LURJTMIESA-N -1 0 341.121 2.388 20 5 EEBDRM CCC[C@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OCC ZINC001231223948 1303689510 /nfs/dbraw/zinc/68/95/10/1303689510.db2.gz LGIUVXMRZOKXQG-NSHDSACASA-N -1 0 328.277 2.319 20 5 EEBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[n-]1 ZINC001231260004 1303707952 /nfs/dbraw/zinc/70/79/52/1303707952.db2.gz QQFAXBBNOYSTAA-GFCCVEGCSA-N -1 0 331.284 2.458 20 5 EEBDRM CCc1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])co1 ZINC000832473244 1314677783 /nfs/dbraw/zinc/67/77/83/1314677783.db2.gz LSONJAOGVQEOSL-UHFFFAOYSA-N -1 0 345.764 2.277 20 5 EEBDRM O=C([O-])C1(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC001601286505 1350249313 /nfs/dbraw/zinc/24/93/13/1350249313.db2.gz YEDLIBANFUCQNR-UHFFFAOYSA-N -1 0 326.736 2.304 20 5 EEBDRM Cc1cc(Cn2cc([N+](=O)[O-])nc2Br)oc1C(=O)[O-] ZINC001607657979 1351534922 /nfs/dbraw/zinc/53/49/22/1351534922.db2.gz LUYXUPUWDVIIEE-UHFFFAOYSA-N -1 0 330.094 2.202 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001608577599 1351719191 /nfs/dbraw/zinc/71/91/91/1351719191.db2.gz NNPLTXSIGLDUHL-LLVKDONJSA-N -1 0 333.113 2.360 20 5 EEBDRM CN(OCc1ccccc1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001309348849 1331626767 /nfs/dbraw/zinc/62/67/67/1331626767.db2.gz YQDTXQTVIMJFLU-UHFFFAOYSA-N -1 0 338.341 2.053 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(C[C@@H]2CCCC23CCOCC3)c1 ZINC001608862762 1351780896 /nfs/dbraw/zinc/78/08/96/1351780896.db2.gz DMDOOZXBOONTMR-LBPRGKRZSA-N -1 0 336.344 2.052 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2cccc(Cl)c2F)c1=O ZINC001608863750 1351780938 /nfs/dbraw/zinc/78/09/38/1351780938.db2.gz SBJGIDJRTUAJJW-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001609013652 1351814221 /nfs/dbraw/zinc/81/42/21/1351814221.db2.gz JHDRQVJQIFMRNQ-AWEZNQCLSA-N -1 0 349.270 2.292 20 5 EEBDRM CC(C)(C)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001324276249 1333648219 /nfs/dbraw/zinc/64/82/19/1333648219.db2.gz WPUGDORSNVXSDI-UHFFFAOYSA-N -1 0 328.390 2.117 20 5 EEBDRM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001324530239 1333702576 /nfs/dbraw/zinc/70/25/76/1333702576.db2.gz MFKCUOSGYYGNBD-UHFFFAOYSA-N -1 0 349.368 2.096 20 5 EEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cc1 ZINC001327455339 1334295884 /nfs/dbraw/zinc/29/58/84/1334295884.db2.gz LDPIBPDXCRKYAJ-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1oncc1C(=O)[O-] ZINC001609549018 1352012395 /nfs/dbraw/zinc/01/23/95/1352012395.db2.gz AOYRVEQPMVGZIF-TWGQIWQCSA-N -1 0 332.268 2.428 20 5 EEBDRM CC(C)(CCC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2)[N+](=O)[O-] ZINC001609673806 1352055673 /nfs/dbraw/zinc/05/56/73/1352055673.db2.gz IDNNVXFCWHQERI-QMMMGPOBSA-N -1 0 341.389 2.107 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609773907 1352082389 /nfs/dbraw/zinc/08/23/89/1352082389.db2.gz ZOGLNWSFRHLOBF-CMPLNLGQSA-N -1 0 332.312 2.250 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)[O-] ZINC001609899273 1352114250 /nfs/dbraw/zinc/11/42/50/1352114250.db2.gz BMOPNBKKHCWCBN-IINYFYTJSA-N -1 0 346.343 2.010 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001610308083 1352203163 /nfs/dbraw/zinc/20/31/63/1352203163.db2.gz QEZFDSOJZQLRQC-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM CSc1cccc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1[N+](=O)[O-] ZINC001610386802 1352214518 /nfs/dbraw/zinc/21/45/18/1352214518.db2.gz JKFHVRYFBVGYFI-ZETCQYMHSA-N -1 0 334.300 2.155 20 5 EEBDRM Cc1cc(NC(=O)C[C@@H](C)CC(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC001610470689 1352227777 /nfs/dbraw/zinc/22/77/77/1352227777.db2.gz JPIQVLWBHKTIRM-SECBINFHSA-N -1 0 331.328 2.313 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Oc2ccc3c(=O)cc[nH]c3c2)n1 ZINC001610841802 1352283582 /nfs/dbraw/zinc/28/35/82/1352283582.db2.gz ZKSAHMYWJODRAW-UHFFFAOYSA-N -1 0 327.252 2.322 20 5 EEBDRM O=c1c(-c2nnn[n-]2)cn(CCCCCF)c2ccc([N+](=O)[O-])cc12 ZINC001593494998 1349819693 /nfs/dbraw/zinc/81/96/93/1349819693.db2.gz OUYBCQGQNUATRV-UHFFFAOYSA-N -1 0 346.322 2.230 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC001600106675 1349972206 /nfs/dbraw/zinc/97/22/06/1349972206.db2.gz JDTNWGYIMXYSGL-OLZOCXBDSA-N -1 0 334.376 2.425 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC3(C[C@@H]2C)CCOCC3)n1 ZINC001600104885 1349972271 /nfs/dbraw/zinc/97/22/71/1349972271.db2.gz CFTJCCBRZQHVRX-NSHDSACASA-N -1 0 335.360 2.392 20 5 EEBDRM Cc1cc(C)cc(OCCn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c1 ZINC001600175680 1349985958 /nfs/dbraw/zinc/98/59/58/1349985958.db2.gz SSAPYZUJAHWULW-UHFFFAOYSA-N -1 0 332.312 2.151 20 5 EEBDRM Cc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001600445498 1350053489 /nfs/dbraw/zinc/05/34/89/1350053489.db2.gz MLVUVWAVMXVHCC-CQSZACIVSA-N -1 0 330.296 2.274 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(Br)n1Cc1ncccc1C(=O)[O-] ZINC001600720239 1350120698 /nfs/dbraw/zinc/12/06/98/1350120698.db2.gz LNYXEDPSOCSDBB-UHFFFAOYSA-N -1 0 341.121 2.004 20 5 EEBDRM Cc1nn(CC(=O)c2ccc(C(=O)[O-])cc2)c2ncc([N+](=O)[O-])cc12 ZINC001600781901 1350134909 /nfs/dbraw/zinc/13/49/09/1350134909.db2.gz JINBTOQPAIKKPM-UHFFFAOYSA-N -1 0 340.295 2.229 20 5 EEBDRM Cn1cnc(CCCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC001600989700 1350184095 /nfs/dbraw/zinc/18/40/95/1350184095.db2.gz CYRAFVYBWHBVTR-UHFFFAOYSA-N -1 0 339.739 2.120 20 5 EEBDRM Cn1ncc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1C(F)F ZINC001601025553 1350192802 /nfs/dbraw/zinc/19/28/02/1350192802.db2.gz VKYCVLLNERHVHV-UHFFFAOYSA-N -1 0 341.226 2.183 20 5 EEBDRM NC(=O)c1cccc(Sc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001601169226 1350224334 /nfs/dbraw/zinc/22/43/34/1350224334.db2.gz VANGTYMRUBJKBS-UHFFFAOYSA-N -1 0 332.337 2.472 20 5 EEBDRM O=C([O-])C1(NC(=O)CNc2cc([N+](=O)[O-])ccc2F)CCCCC1 ZINC001601329186 1350258851 /nfs/dbraw/zinc/25/88/51/1350258851.db2.gz DUXPLCIVCPHMNW-UHFFFAOYSA-N -1 0 339.323 2.050 20 5 EEBDRM O=C([O-])c1ccccc1CCOC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001601342459 1350262161 /nfs/dbraw/zinc/26/21/61/1350262161.db2.gz ADZNBXWBZAVQSJ-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])[C@]1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCSC1 ZINC001601431831 1350282993 /nfs/dbraw/zinc/28/29/93/1350282993.db2.gz UTWAPXOSMHGFOB-AWEZNQCLSA-N -1 0 336.325 2.031 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001601570668 1350309680 /nfs/dbraw/zinc/30/96/80/1350309680.db2.gz BKSPNECLPOKBCO-SFYZADRCSA-N -1 0 344.270 2.179 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)ccc1F ZINC001601603892 1350317521 /nfs/dbraw/zinc/31/75/21/1350317521.db2.gz CWKLEWBEFSRXKH-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c[nH]1 ZINC001601633116 1350324108 /nfs/dbraw/zinc/32/41/08/1350324108.db2.gz FYCTUHYMZRRSQA-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])C[C@@]1(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCOC1 ZINC001601928503 1350399230 /nfs/dbraw/zinc/39/92/30/1350399230.db2.gz RFTWODHKQQYWLE-ZDUSSCGKSA-N -1 0 343.723 2.004 20 5 EEBDRM O=C([O-])CCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001601969876 1350407410 /nfs/dbraw/zinc/40/74/10/1350407410.db2.gz RDPOASINUQVBNN-LLVKDONJSA-N -1 0 338.213 2.318 20 5 EEBDRM O=C([O-])CCCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001601993944 1350413205 /nfs/dbraw/zinc/41/32/05/1350413205.db2.gz ZAUIZYFRLJGXMA-UHFFFAOYSA-N -1 0 332.106 2.379 20 5 EEBDRM O=C([O-])Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC001602119937 1350443638 /nfs/dbraw/zinc/44/36/38/1350443638.db2.gz OIXILIDSBAEFRL-UHFFFAOYSA-N -1 0 332.287 2.291 20 5 EEBDRM O=C([O-])Cn1ncc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC001602168469 1350456363 /nfs/dbraw/zinc/45/63/63/1350456363.db2.gz KOGJITFTPWKPSF-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCc3ccc(O)cc32)cc([N+](=O)[O-])c1 ZINC001602246517 1350475528 /nfs/dbraw/zinc/47/55/28/1350475528.db2.gz CSRWSOUGPIRPOR-OAHLLOKOSA-N -1 0 342.307 2.416 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2nccnc2C2CC2)cc([N+](=O)[O-])c1 ZINC001602249006 1350476564 /nfs/dbraw/zinc/47/65/64/1350476564.db2.gz GEYMXKCSEXCJPG-UHFFFAOYSA-N -1 0 328.284 2.213 20 5 EEBDRM O=C([O-])c1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)ccn1 ZINC001602258629 1350480078 /nfs/dbraw/zinc/48/00/78/1350480078.db2.gz IZWUHRXZESIFHK-UONOGXRCSA-N -1 0 341.323 2.108 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cncc3[nH]ccc32)cc1[N+](=O)[O-] ZINC001602386270 1350508122 /nfs/dbraw/zinc/50/81/22/1350508122.db2.gz HNJCGCPIXWXACI-UHFFFAOYSA-N -1 0 327.252 2.389 20 5 EEBDRM CCc1noc(C)c1CNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001604586698 1350965275 /nfs/dbraw/zinc/96/52/75/1350965275.db2.gz SMUWXYGEYQROOQ-UHFFFAOYSA-N -1 0 335.349 2.307 20 5 EEBDRM C[C@@H]1[C@H](C)SCCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001604841171 1351018087 /nfs/dbraw/zinc/01/80/87/1351018087.db2.gz DSHDCEXRDAUNLV-MNOVXSKESA-N -1 0 340.401 2.384 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@](F)(C(=O)[O-])C2)cc1C ZINC001605569254 1351192114 /nfs/dbraw/zinc/19/21/14/1351192114.db2.gz CCMZECKJPKPABA-HNNXBMFYSA-N -1 0 340.307 2.083 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1COc1ccc(F)nc1-c1nnn[n-]1 ZINC001607084553 1351411924 /nfs/dbraw/zinc/41/19/24/1351411924.db2.gz MJQKDJOECZWMDE-UHFFFAOYSA-N -1 0 334.242 2.027 20 5 EEBDRM Cc1c(NC(=O)c2cnn(C)c2Cl)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607550244 1351514720 /nfs/dbraw/zinc/51/47/20/1351514720.db2.gz OCKYSFFEDGEPHF-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](CO)c2ccc(F)cc2)n1 ZINC001607588877 1351520546 /nfs/dbraw/zinc/52/05/46/1351520546.db2.gz FJPGJWWWFNHBPO-GFCCVEGCSA-N -1 0 335.291 2.281 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(CCCO)CC(C)(C)C)n1 ZINC001607588922 1351520691 /nfs/dbraw/zinc/52/06/91/1351520691.db2.gz IJDBMFYEAPOERZ-UHFFFAOYSA-N -1 0 325.365 2.231 20 5 EEBDRM Cc1cc(C)n(CCCC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001607630322 1351529279 /nfs/dbraw/zinc/52/92/79/1351529279.db2.gz FVFKTEDSUATKJJ-UHFFFAOYSA-N -1 0 347.327 2.492 20 5 EEBDRM Cc1noc([C@@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C(C)C)n1 ZINC001608024267 1351608938 /nfs/dbraw/zinc/60/89/38/1351608938.db2.gz QNQQSLQHGGWSTK-ZDUSSCGKSA-N -1 0 334.332 2.471 20 5 EEBDRM Cn1c(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)nnc1C1CCC1 ZINC001608089608 1351622905 /nfs/dbraw/zinc/62/29/05/1351622905.db2.gz HXHLMDNFWCZSQL-UHFFFAOYSA-N -1 0 332.316 2.268 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001608462200 1351699694 /nfs/dbraw/zinc/69/96/94/1351699694.db2.gz UPFIMZONLPJOHZ-MWLCHTKSSA-N -1 0 347.352 2.169 20 5 EEBDRM CNc1nccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001606313958 1404788628 /nfs/dbraw/zinc/78/86/28/1404788628.db2.gz DZVSYOCWYINNQH-VIFPVBQESA-N -1 0 344.327 2.472 20 5 EEBDRM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606371847 1404805063 /nfs/dbraw/zinc/80/50/63/1404805063.db2.gz PNAMMBOKQLBTSI-KYOSRNDESA-N -1 0 348.355 2.067 20 5 EEBDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160835 775388830 /nfs/dbraw/zinc/38/88/30/775388830.db2.gz XUIWPHDECUEAGZ-UHFFFAOYSA-N -1 0 346.411 2.399 20 5 EEBDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1 ZINC000112160827 775439889 /nfs/dbraw/zinc/43/98/89/775439889.db2.gz SRHDFLORPVYCCP-UHFFFAOYSA-N -1 0 340.382 2.012 20 5 EEBDRM CC(C)([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000785397274 781308923 /nfs/dbraw/zinc/30/89/23/781308923.db2.gz LTWKYDSNDWUEKB-UHFFFAOYSA-N -1 0 346.380 2.217 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCN(Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000844206944 788924864 /nfs/dbraw/zinc/92/48/64/788924864.db2.gz QCVUSDTVYBYYAS-UHFFFAOYSA-N -1 0 345.355 2.137 20 5 EEBDRM O=C([O-])c1cc(Nc2cccc3c2CNC(=O)C3)cc([N+](=O)[O-])c1 ZINC001176680332 798525783 /nfs/dbraw/zinc/52/57/83/798525783.db2.gz YWCSSJSRUZJAFJ-UHFFFAOYSA-N -1 0 327.296 2.209 20 5 EEBDRM Cc1cc(=O)c(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n[n-]1 ZINC000788044415 807345385 /nfs/dbraw/zinc/34/53/85/807345385.db2.gz RLSHQRMPZULMRW-UHFFFAOYSA-N -1 0 328.284 2.237 20 5 EEBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)C1 ZINC001589604645 949231527 /nfs/dbraw/zinc/23/15/27/949231527.db2.gz XBIOWBWHBHPSEM-INIZCTEOSA-N -1 0 335.360 2.354 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001594307905 957985866 /nfs/dbraw/zinc/98/58/66/957985866.db2.gz COSWDNZBJSXUSA-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001594192846 959172509 /nfs/dbraw/zinc/17/25/09/959172509.db2.gz IJUCLOSBSZCINP-MWLCHTKSSA-N -1 0 338.385 2.500 20 5 EEBDRM O=C([O-])c1nn(Cc2ccc(F)c(Br)c2)cc1[N+](=O)[O-] ZINC000229735362 960091057 /nfs/dbraw/zinc/09/10/57/960091057.db2.gz LBFVSKXCQCDOTF-UHFFFAOYSA-N -1 0 344.096 2.439 20 5 EEBDRM Cc1sc(C(=O)[O-])cc1Cn1nc([N+](=O)[O-])nc1Br ZINC000231801314 960205854 /nfs/dbraw/zinc/20/58/54/960205854.db2.gz CFSDLISXMOHHST-UHFFFAOYSA-N -1 0 347.150 2.065 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001604929171 972493711 /nfs/dbraw/zinc/49/37/11/972493711.db2.gz BXASHZQMLUBINF-RVBZMBCESA-N -1 0 326.324 2.453 20 5 EEBDRM O=C([O-])[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000236433830 967774510 /nfs/dbraw/zinc/77/45/10/967774510.db2.gz SRLUYAFXJFIVIF-SECBINFHSA-N -1 0 329.150 2.264 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001603360008 972820047 /nfs/dbraw/zinc/82/00/47/972820047.db2.gz HXXXNFLGTTWMPN-UEEZHKSASA-N -1 0 332.356 2.268 20 5 EEBDRM C[C@](NC(=O)Cc1cccs1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593043291 980329108 /nfs/dbraw/zinc/32/91/08/980329108.db2.gz DPOWVKCNKASUMG-OAHLLOKOSA-N -1 0 334.353 2.315 20 5 EEBDRM CCCC[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001595636309 981915793 /nfs/dbraw/zinc/91/57/93/981915793.db2.gz LKYGYQANJHABLZ-VIFPVBQESA-N -1 0 329.740 2.204 20 5 EEBDRM CC[C@](C)(NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594840166 982047084 /nfs/dbraw/zinc/04/70/84/982047084.db2.gz ADZSVKQMZVTHOS-ZDUSSCGKSA-N -1 0 332.715 2.299 20 5 EEBDRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001595832709 982728929 /nfs/dbraw/zinc/72/89/29/982728929.db2.gz KHUUGWMMAZDYDK-NSHDSACASA-N -1 0 344.389 2.085 20 5 EEBDRM CCCNC(=O)C1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001595919850 983026784 /nfs/dbraw/zinc/02/67/84/983026784.db2.gz AYFOGDVCVONTEH-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM CCOC(=O)c1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001596718876 984954277 /nfs/dbraw/zinc/95/42/77/984954277.db2.gz DVVIANMICFKROU-UHFFFAOYSA-N -1 0 345.311 2.477 20 5 EEBDRM CC(=O)N(C)c1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001589046127 985117996 /nfs/dbraw/zinc/11/79/96/985117996.db2.gz JFEKSQNFKUQERR-UHFFFAOYSA-N -1 0 344.327 2.283 20 5 EEBDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001597024612 986429157 /nfs/dbraw/zinc/42/91/57/986429157.db2.gz BASVYOORDCGAJK-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM C[C@H](C(=O)N[C@](C)(CCF)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589380925 986461253 /nfs/dbraw/zinc/46/12/53/986461253.db2.gz JOSSGFFBDNIUCS-RMLUDKJBSA-N -1 0 330.287 2.157 20 5 EEBDRM CCOc1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)nc1 ZINC001597100791 986708914 /nfs/dbraw/zinc/70/89/14/986708914.db2.gz HZYHITYUZWFYQJ-KRWDZBQOSA-N -1 0 345.355 2.478 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001599877053 989432563 /nfs/dbraw/zinc/43/25/63/989432563.db2.gz CCQNQPRCGITDLO-CHWSQXEVSA-N -1 0 349.387 2.499 20 5 EEBDRM CN(C)c1nccc2c1CN(c1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC001598358741 991480772 /nfs/dbraw/zinc/48/07/72/991480772.db2.gz LRMGTBDUAOUTNQ-UHFFFAOYSA-N -1 0 342.355 2.317 20 5 EEBDRM CN1C[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])Cc2ccccc21 ZINC001598570729 993191991 /nfs/dbraw/zinc/19/19/91/993191991.db2.gz VFNPXPPGXISIJG-LBPRGKRZSA-N -1 0 328.328 2.161 20 5 EEBDRM COc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1[N+](=O)[O-] ZINC001599640639 994353470 /nfs/dbraw/zinc/35/34/70/994353470.db2.gz GCKULBDYSSIKOL-CYBMUJFWSA-N -1 0 348.286 2.298 20 5 EEBDRM COC(=O)[C@](C)(NCc1ccoc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598689062 995036089 /nfs/dbraw/zinc/03/60/89/995036089.db2.gz SCBPXSFWYDXPJC-MRXNPFEDSA-N -1 0 348.311 2.064 20 5 EEBDRM CC1(C(=O)[O-])CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001593802985 996532350 /nfs/dbraw/zinc/53/23/50/996532350.db2.gz UEOPOMYQRXPTRB-UHFFFAOYSA-N -1 0 344.776 2.273 20 5 EEBDRM COC(=O)N1CCC(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001598880596 996805545 /nfs/dbraw/zinc/80/55/45/996805545.db2.gz UGRAMZCTBDYPBE-HYXAFXHYSA-N -1 0 349.343 2.335 20 5 EEBDRM COc1ccc(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001599487168 996871930 /nfs/dbraw/zinc/87/19/30/996871930.db2.gz LBYSZUPZHKMINL-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COCc1nc(OC)cc(Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])n1 ZINC001599303226 997268627 /nfs/dbraw/zinc/26/86/27/997268627.db2.gz UBBGNPQGVPJXJI-UHFFFAOYSA-N -1 0 335.272 2.030 20 5 EEBDRM COCCC(C)(C)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599209322 997469358 /nfs/dbraw/zinc/46/93/58/997469358.db2.gz SZWBERSQCPXQLD-UHFFFAOYSA-N -1 0 325.317 2.399 20 5 EEBDRM C[C@]1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC001594027171 997571080 /nfs/dbraw/zinc/57/10/80/997571080.db2.gz NYCIWVNSLQYNJP-RHSMWYFYSA-N -1 0 348.355 2.228 20 5 EEBDRM COc1c(C(=O)OCc2cccc(C(=O)[O-])n2)cccc1[N+](=O)[O-] ZINC001599331344 997754193 /nfs/dbraw/zinc/75/41/93/997754193.db2.gz MCOYXDAXXKFHOT-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)[O-])c1 ZINC001598947719 998086698 /nfs/dbraw/zinc/08/66/98/998086698.db2.gz MLLWTQXGICIIMN-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM COc1ccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599569396 998340592 /nfs/dbraw/zinc/34/05/92/998340592.db2.gz LQGADCDNHFIIOS-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001594158724 998588584 /nfs/dbraw/zinc/58/85/84/998588584.db2.gz LOWXCCAVDKPENT-POYBYMJQSA-N -1 0 330.699 2.323 20 5 EEBDRM COC(=O)c1cnc(NCC2(CC(=O)[O-])CCCC2)c([N+](=O)[O-])c1 ZINC001599010607 998894862 /nfs/dbraw/zinc/89/48/62/998894862.db2.gz YMPGQGMBIBNDDN-UHFFFAOYSA-N -1 0 337.332 2.223 20 5 EEBDRM C[C@H]1CCn2ncc(C(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c2C1 ZINC001594452141 999651769 /nfs/dbraw/zinc/65/17/69/999651769.db2.gz KUGYLHUMZUFFBL-VIFPVBQESA-N -1 0 345.311 2.291 20 5 EEBDRM Cc1ccc([C@@H]2COCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000179505497 233112281 /nfs/dbraw/zinc/11/22/81/233112281.db2.gz WXVRFEDZSJSELM-ZDUSSCGKSA-N -1 0 332.312 2.416 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000040882525 213397243 /nfs/dbraw/zinc/39/72/43/213397243.db2.gz RINPGLOGRNAUBY-UHFFFAOYSA-N -1 0 328.375 2.200 20 5 EEBDRM O=C(NC1CCN(CC(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181934624 234385786 /nfs/dbraw/zinc/38/57/86/234385786.db2.gz MZISQRHITGWJIW-UHFFFAOYSA-N -1 0 347.293 2.057 20 5 EEBDRM Cc1ccc(NCCCNC(=O)c2cc(C(=O)[O-])co2)c([N+](=O)[O-])c1 ZINC000183797320 235228964 /nfs/dbraw/zinc/22/89/64/235228964.db2.gz LICCLHVBJULMOC-UHFFFAOYSA-N -1 0 347.327 2.426 20 5 EEBDRM C[C@@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000263343980 296073436 /nfs/dbraw/zinc/07/34/36/296073436.db2.gz OCKXXFCNJOJOGH-UTUOFQBUSA-N -1 0 335.360 2.408 20 5 EEBDRM COc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000262110536 244809786 /nfs/dbraw/zinc/80/97/86/244809786.db2.gz AUUXGKDOLLARRB-JKOKRWQUSA-N -1 0 348.355 2.461 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000262725131 245147594 /nfs/dbraw/zinc/14/75/94/245147594.db2.gz RZMOMEQYPLUWAH-ZJUUUORDSA-N -1 0 329.312 2.126 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000739556331 578058220 /nfs/dbraw/zinc/05/82/20/578058220.db2.gz HEBRDFYIAUKSIZ-BDAKNGLRSA-N -1 0 344.117 2.121 20 5 EEBDRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492156073 246329286 /nfs/dbraw/zinc/32/92/86/246329286.db2.gz OJYGKZHWGQPOLD-PXTSUWAFSA-N -1 0 348.355 2.090 20 5 EEBDRM CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273303755 256285333 /nfs/dbraw/zinc/28/53/33/256285333.db2.gz GCMWZYAXIOSBSJ-LLVKDONJSA-N -1 0 336.344 2.247 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262796461 152318323 /nfs/dbraw/zinc/31/83/23/152318323.db2.gz CHSZTFJHEXNFJV-PWSUYJOCSA-N -1 0 326.736 2.160 20 5 EEBDRM Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000262369911 160452320 /nfs/dbraw/zinc/45/23/20/160452320.db2.gz WAHVDPDBDPNCTB-NXEZZACHSA-N -1 0 346.261 2.238 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)c(C)c1 ZINC000103425855 159278012 /nfs/dbraw/zinc/27/80/12/159278012.db2.gz NVXIOIOKNJKHOB-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM O=C(Nc1cccnc1-n1cccn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184643532 160012638 /nfs/dbraw/zinc/01/26/38/160012638.db2.gz HXOPZRDILJGSOQ-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([O-])CN(Cc1ccccc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000238144201 160228687 /nfs/dbraw/zinc/22/86/87/160228687.db2.gz TWGAVWIPLXLWPO-UHFFFAOYSA-N -1 0 343.339 2.120 20 5 EEBDRM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000136257923 292456055 /nfs/dbraw/zinc/45/60/55/292456055.db2.gz YPCRVYHXZZHARO-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM CCCNC(=O)C1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCCC1 ZINC000136831969 292458272 /nfs/dbraw/zinc/45/82/72/292458272.db2.gz ULZKDKAUNIPSTR-UHFFFAOYSA-N -1 0 349.387 2.259 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)Nc1ccccc1 ZINC000151259639 292471071 /nfs/dbraw/zinc/47/10/71/292471071.db2.gz UGADVOCXESKGGX-JTQLQIEISA-N -1 0 329.312 2.057 20 5 EEBDRM O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356299306 163396597 /nfs/dbraw/zinc/39/65/97/163396597.db2.gz ULROFMFDZQNYFV-AWEZNQCLSA-N -1 0 343.295 2.029 20 5 EEBDRM CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000275077040 269092084 /nfs/dbraw/zinc/09/20/84/269092084.db2.gz HYVQIMSEQQSSJJ-NOZJJQNGSA-N -1 0 344.389 2.023 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000236940293 287655302 /nfs/dbraw/zinc/65/53/02/287655302.db2.gz AUKGOEMFQWCCNG-BJOHPYRUSA-N -1 0 333.344 2.234 20 5 EEBDRM O=C(/C=C/c1ccco1)NCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166123271 311391211 /nfs/dbraw/zinc/39/12/11/311391211.db2.gz QQJQHYLBLBTEND-GQCTYLIASA-N -1 0 345.311 2.052 20 5 EEBDRM CC1(C)CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[S@@]1=O ZINC000321720466 311597215 /nfs/dbraw/zinc/59/72/15/311597215.db2.gz ZKYDGXINNUNQSM-QFIPXVFZSA-N -1 0 326.374 2.030 20 5 EEBDRM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000332455979 312010192 /nfs/dbraw/zinc/01/01/92/312010192.db2.gz NPTDKNGIXACBDI-SMDDNHRTSA-N -1 0 346.380 2.216 20 5 EEBDRM NC(=O)c1cccc(Cc2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)c1 ZINC000350636902 312335627 /nfs/dbraw/zinc/33/56/27/312335627.db2.gz QPFOARFTVGPBQR-UHFFFAOYSA-N -1 0 340.295 2.040 20 5 EEBDRM O=C(NCc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436751718 314995326 /nfs/dbraw/zinc/99/53/26/314995326.db2.gz NKFGHLPCPKBENZ-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM COCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436820521 315001761 /nfs/dbraw/zinc/00/17/61/315001761.db2.gz RMYWXPZFGBOWIG-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1OC ZINC000436915390 315011695 /nfs/dbraw/zinc/01/16/95/315011695.db2.gz OJCQWZSDZOXRKI-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM O=C(N[C@@H](CO)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436960937 315016799 /nfs/dbraw/zinc/01/67/99/315016799.db2.gz SHYYLYWLUQKPMR-LBPRGKRZSA-N -1 0 338.266 2.042 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436969808 315017820 /nfs/dbraw/zinc/01/78/20/315017820.db2.gz ANETUKJHFFURFI-VXGBXAGGSA-N -1 0 349.387 2.114 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000436974231 315018930 /nfs/dbraw/zinc/01/89/30/315018930.db2.gz XDJVWULCGCNBKL-CYBMUJFWSA-N -1 0 338.360 2.397 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(OC)c1 ZINC000444376717 315297782 /nfs/dbraw/zinc/29/77/82/315297782.db2.gz PGQBNZQSXWMDGP-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM CCc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])s1 ZINC000525086317 317038578 /nfs/dbraw/zinc/03/85/78/317038578.db2.gz ITCMTLVJPLMYMF-UHFFFAOYSA-N -1 0 327.387 2.092 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnn2cccnc12 ZINC000540848510 318079491 /nfs/dbraw/zinc/07/94/91/318079491.db2.gz VLOJDPNXONNHRD-UHFFFAOYSA-N -1 0 333.691 2.249 20 5 EEBDRM CC[C@@H]1C[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC(=O)N1 ZINC000542638644 318134458 /nfs/dbraw/zinc/13/44/58/318134458.db2.gz PANRTAXIIDUDSU-IONNQARKSA-N -1 0 341.751 2.197 20 5 EEBDRM CCC[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000563076008 318968688 /nfs/dbraw/zinc/96/86/88/318968688.db2.gz XVJVUVUYIOUMAG-VIFPVBQESA-N -1 0 344.389 2.411 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000563195627 318982245 /nfs/dbraw/zinc/98/22/45/318982245.db2.gz SBPBBQNBRXHFMR-NXEZZACHSA-N -1 0 340.763 2.452 20 5 EEBDRM C[C@H]1CCC[C@]1(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563194568 318982328 /nfs/dbraw/zinc/98/23/28/318982328.db2.gz MWZPJGBJZMWZNE-RTHLEPHNSA-N -1 0 328.752 2.235 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)ccc1[N+](=O)[O-] ZINC000565990188 319232671 /nfs/dbraw/zinc/23/26/71/319232671.db2.gz POPHHMLYPIDANR-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM CCn1cc(CN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000566268266 319266935 /nfs/dbraw/zinc/26/69/35/319266935.db2.gz QZZUXCVTDVEMRI-UHFFFAOYSA-N -1 0 338.751 2.442 20 5 EEBDRM C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000567616595 319397564 /nfs/dbraw/zinc/39/75/64/319397564.db2.gz FOBGQUDDUZHKHA-LLVKDONJSA-N -1 0 336.344 2.067 20 5 EEBDRM CCn1nccc1C1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000568987382 319536282 /nfs/dbraw/zinc/53/62/82/319536282.db2.gz ZCGVUGCGXYAYCG-UHFFFAOYSA-N -1 0 345.359 2.288 20 5 EEBDRM CCOCCO[C@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000570165269 319641888 /nfs/dbraw/zinc/64/18/88/319641888.db2.gz REKRHUWGGIKYJK-ZDUSSCGKSA-N -1 0 338.360 2.233 20 5 EEBDRM Cc1sc([C@H]2CCCN2c2ncc([N+](=O)[O-])cn2)nc1C(=O)[O-] ZINC000582727218 324514848 /nfs/dbraw/zinc/51/48/48/324514848.db2.gz DFIZLMRVKQBMHA-SECBINFHSA-N -1 0 335.345 2.189 20 5 EEBDRM CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000583140830 324602097 /nfs/dbraw/zinc/60/20/97/324602097.db2.gz OGDNSNSIPFHWAS-ZJUUUORDSA-N -1 0 342.373 2.102 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000327321453 465051131 /nfs/dbraw/zinc/05/11/31/465051131.db2.gz BXWAVFMETCDYQB-AWEZNQCLSA-N -1 0 344.323 2.202 20 5 EEBDRM O=C([O-])Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000347742260 465201088 /nfs/dbraw/zinc/20/10/88/465201088.db2.gz SMOMDURSQOPGNA-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000006316161 462682108 /nfs/dbraw/zinc/68/21/08/462682108.db2.gz NQYNHKYHEMIEIJ-UHFFFAOYSA-N -1 0 338.341 2.500 20 5 EEBDRM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089530894 462691249 /nfs/dbraw/zinc/69/12/49/462691249.db2.gz BSMZOCVOQOCQFG-VIFPVBQESA-N -1 0 332.360 2.468 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000130717774 462772047 /nfs/dbraw/zinc/77/20/47/462772047.db2.gz MIRXWLXWCRSEGA-UHFFFAOYSA-N -1 0 347.356 2.001 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1[N+](=O)[O-] ZINC000121343145 463119339 /nfs/dbraw/zinc/11/93/39/463119339.db2.gz CKOLGUNTHCVNQD-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164412105 463622253 /nfs/dbraw/zinc/62/22/53/463622253.db2.gz SCCRLHVZUFSXEO-GFCCVEGCSA-N -1 0 341.367 2.481 20 5 EEBDRM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164832335 463633838 /nfs/dbraw/zinc/63/38/38/463633838.db2.gz SRYGWCARYHKQLH-UHFFFAOYSA-N -1 0 344.302 2.288 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N(CCCO)Cc1ccccc1 ZINC000164976753 463637131 /nfs/dbraw/zinc/63/71/31/463637131.db2.gz PFSBWEGPRUHLAU-UHFFFAOYSA-N -1 0 330.340 2.325 20 5 EEBDRM CN(C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-])C1CCCC1 ZINC000283086206 463757935 /nfs/dbraw/zinc/75/79/35/463757935.db2.gz WCGOEXBJNTUMEI-AWEZNQCLSA-N -1 0 335.360 2.175 20 5 EEBDRM O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000590942924 468377764 /nfs/dbraw/zinc/37/77/64/468377764.db2.gz RGFHYPRPVPWFTC-UHFFFAOYSA-N -1 0 343.339 2.364 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000261626403 463807175 /nfs/dbraw/zinc/80/71/75/463807175.db2.gz GUVBMKOUSQLUKU-INIZCTEOSA-N -1 0 336.344 2.176 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000261783274 463858983 /nfs/dbraw/zinc/85/89/83/463858983.db2.gz YDSCYYXLZIGURK-UHFFFAOYSA-N -1 0 346.343 2.106 20 5 EEBDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000277179500 463900071 /nfs/dbraw/zinc/90/00/71/463900071.db2.gz GQWXYHNGJNZOLQ-UHFFFAOYSA-N -1 0 334.250 2.095 20 5 EEBDRM CC[C@@](C)(NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262415781 464021309 /nfs/dbraw/zinc/02/13/09/464021309.db2.gz JXVYJUPOQQFTLC-LKFCYVNXSA-N -1 0 326.374 2.445 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000263266896 464074491 /nfs/dbraw/zinc/07/44/91/464074491.db2.gz VOKTXJWXEJIOFM-NWDGAFQWSA-N -1 0 335.360 2.109 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000263447445 464106449 /nfs/dbraw/zinc/10/64/49/464106449.db2.gz NNOZBMMKOBMFEB-UHFFFAOYSA-N -1 0 347.352 2.313 20 5 EEBDRM O=C([O-])c1cccc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000263467243 464110034 /nfs/dbraw/zinc/11/00/34/464110034.db2.gz CVJJCDNBBQWFRP-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000294304351 464460791 /nfs/dbraw/zinc/46/07/91/464460791.db2.gz SKZYQKFMFBIOKS-HNNXBMFYSA-N -1 0 332.356 2.332 20 5 EEBDRM C[C@@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C(=O)[O-] ZINC000568887922 468402649 /nfs/dbraw/zinc/40/26/49/468402649.db2.gz QGQTZRRUIQIXGU-NSHDSACASA-N -1 0 331.328 2.701 20 5 EEBDRM O=C(Nc1nnc(-c2ccccn2)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181913507 464537521 /nfs/dbraw/zinc/53/75/21/464537521.db2.gz KWPIPBALNBYXOH-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM CCCc1[nH]nc(C(=O)[N-]c2nc(SC)ns2)c1[N+](=O)[O-] ZINC000175530663 464568725 /nfs/dbraw/zinc/56/87/25/464568725.db2.gz ZACPXAQJNORLPB-UHFFFAOYSA-N -1 0 328.379 2.096 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@@H](Cc2ccccc2)C1 ZINC000182187358 464593023 /nfs/dbraw/zinc/59/30/23/464593023.db2.gz YWEYDBARSLHQKG-HNNXBMFYSA-N -1 0 342.351 2.384 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cnn1C ZINC000176969636 464895073 /nfs/dbraw/zinc/89/50/73/464895073.db2.gz QQMHAIXIPJYAAS-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ccncc2)CC1 ZINC000192292964 464900306 /nfs/dbraw/zinc/90/03/06/464900306.db2.gz SSEDGXLSJHZMFP-UHFFFAOYSA-N -1 0 328.328 2.110 20 5 EEBDRM O=C([O-])[C@H]1CCCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000282775070 464944173 /nfs/dbraw/zinc/94/41/73/464944173.db2.gz ICFMTSKDHKHCHQ-CYBMUJFWSA-N -1 0 342.373 2.003 20 5 EEBDRM CC[C@H](C)n1nc([N-]c2nc(C(=O)OC)ccc2[N+](=O)[O-])cc1C ZINC000342916258 465386052 /nfs/dbraw/zinc/38/60/52/465386052.db2.gz IYRKKQMNTRZDMJ-VIFPVBQESA-N -1 0 333.348 2.996 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nc(C(F)(F)F)no1 ZINC000600032599 468440381 /nfs/dbraw/zinc/44/03/81/468440381.db2.gz WQJPRRIYXZPDJJ-YFKPBYRVSA-N -1 0 346.221 2.193 20 5 EEBDRM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccco1 ZINC000353554608 465973503 /nfs/dbraw/zinc/97/35/03/465973503.db2.gz VHXXIEDWTFJNDU-LLVKDONJSA-N -1 0 340.357 2.162 20 5 EEBDRM Cc1[nH]nc(C(=O)[N-]c2nc(-c3cccs3)ns2)c1[N+](=O)[O-] ZINC000353603067 466006118 /nfs/dbraw/zinc/00/61/18/466006118.db2.gz ISNHMHDJFJWTPS-UHFFFAOYSA-N -1 0 336.358 2.459 20 5 EEBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000357548002 466123066 /nfs/dbraw/zinc/12/30/66/466123066.db2.gz IEQWKDJZYFCXQU-UHFFFAOYSA-N -1 0 336.325 2.167 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1-c1nc[nH]n1 ZINC000372323342 466303740 /nfs/dbraw/zinc/30/37/40/466303740.db2.gz DPTROMHALWTDLT-UHFFFAOYSA-N -1 0 345.340 2.181 20 5 EEBDRM O=C(NCc1cc(F)cc2c1OCOC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000338765770 466365986 /nfs/dbraw/zinc/36/59/86/466365986.db2.gz IMPSRFZLKXGXCC-UHFFFAOYSA-N -1 0 348.286 2.236 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000332292454 466492894 /nfs/dbraw/zinc/49/28/94/466492894.db2.gz JMKQNVWIVHPKKB-XHDPSFHLSA-N -1 0 330.344 2.220 20 5 EEBDRM C[C@@H](CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000322187534 466630222 /nfs/dbraw/zinc/63/02/22/466630222.db2.gz BYXUVCGHNWVWBA-NSHDSACASA-N -1 0 336.369 2.382 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc[nH]n2)cc1 ZINC000373086488 466687440 /nfs/dbraw/zinc/68/74/40/466687440.db2.gz CRSFQLJSNOZURC-UHFFFAOYSA-N -1 0 345.340 2.181 20 5 EEBDRM Cc1cn2c(n1)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])CCC2 ZINC000370366601 466850663 /nfs/dbraw/zinc/85/06/63/466850663.db2.gz LEIHEWXQWKZFKA-NSHDSACASA-N -1 0 330.344 2.113 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccoc1C1(O)CCOCC1 ZINC000370473693 466892440 /nfs/dbraw/zinc/89/24/40/466892440.db2.gz ZRESQXNUZKAXFU-UHFFFAOYSA-N -1 0 348.311 2.144 20 5 EEBDRM COc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000424259811 467015295 /nfs/dbraw/zinc/01/52/95/467015295.db2.gz ZDLOSIYHAAUBSU-YMTOWFKASA-N -1 0 336.344 2.237 20 5 EEBDRM CCOc1ccc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1 ZINC000435726206 467491650 /nfs/dbraw/zinc/49/16/50/467491650.db2.gz NBOWQKQXBLXTAR-UHFFFAOYSA-N -1 0 340.361 2.011 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000493357827 467894751 /nfs/dbraw/zinc/89/47/51/467894751.db2.gz SYNRKJNKTXMDGG-RNZFLTOJSA-N -1 0 336.319 2.364 20 5 EEBDRM CCCN(C(C)C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000519176928 468147215 /nfs/dbraw/zinc/14/72/15/468147215.db2.gz NUUWKUPRYCHAFG-UHFFFAOYSA-N -1 0 330.362 2.102 20 5 EEBDRM CCc1cnc(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])s1 ZINC000566292191 468149034 /nfs/dbraw/zinc/14/90/34/468149034.db2.gz YNQHSVHGLWYALQ-UHFFFAOYSA-N -1 0 336.373 2.670 20 5 EEBDRM CC(C)[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C ZINC000578752376 468251238 /nfs/dbraw/zinc/25/12/38/468251238.db2.gz LQCWNQYPRMGKMG-ZDUSSCGKSA-N -1 0 341.795 2.366 20 5 EEBDRM CCO[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000582488431 468548153 /nfs/dbraw/zinc/54/81/53/468548153.db2.gz FOGSMMLZJBPGAT-BPLDGKMQSA-N -1 0 346.343 2.320 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000592204449 468654061 /nfs/dbraw/zinc/65/40/61/468654061.db2.gz DKDGZOGVJUKIMX-COPLHBTASA-N -1 0 335.360 2.408 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2noc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000570632701 468669196 /nfs/dbraw/zinc/66/91/96/468669196.db2.gz XUEYIKUPROZGNC-UHFFFAOYSA-N -1 0 338.345 2.218 20 5 EEBDRM CC1(C)CCC[C@](NC(=O)c2cccc([N+](=O)[O-])c2N)(C(=O)[O-])C1 ZINC000600869963 468671242 /nfs/dbraw/zinc/67/12/42/468671242.db2.gz OTZXCZJLVOLOMM-MRXNPFEDSA-N -1 0 335.360 2.330 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000592982548 468833853 /nfs/dbraw/zinc/83/38/53/468833853.db2.gz HZCZHCNZZIRWBA-KRWDZBQOSA-N -1 0 345.355 2.461 20 5 EEBDRM COc1cc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000584415675 468866633 /nfs/dbraw/zinc/86/66/33/468866633.db2.gz SIFWGSJDANQAPK-LBPRGKRZSA-N -1 0 336.344 2.143 20 5 EEBDRM C[C@H](CC(C)(C)C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000593312242 468935446 /nfs/dbraw/zinc/93/54/46/468935446.db2.gz RZWYZNTYUUWQQW-SECBINFHSA-N -1 0 344.389 2.396 20 5 EEBDRM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000614897814 469087176 /nfs/dbraw/zinc/08/71/76/469087176.db2.gz BJYOHOSBGVVHBI-ZDUSSCGKSA-N -1 0 348.277 2.484 20 5 EEBDRM CC(C)(C)C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000593696428 469097799 /nfs/dbraw/zinc/09/77/99/469097799.db2.gz HHROZLWWJCAFRJ-LLVKDONJSA-N -1 0 334.332 2.090 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000593703156 469102313 /nfs/dbraw/zinc/10/23/13/469102313.db2.gz YZRXXNBVXIIEIQ-UONOGXRCSA-N -1 0 332.356 2.394 20 5 EEBDRM CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000596002336 469112359 /nfs/dbraw/zinc/11/23/59/469112359.db2.gz XWROBQBRORENAW-SECBINFHSA-N -1 0 344.751 2.339 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H]([C@H]2CCOC2)C1 ZINC000563195628 469194018 /nfs/dbraw/zinc/19/40/18/469194018.db2.gz SBPBBQNBRXHFMR-UWVGGRQHSA-N -1 0 340.763 2.452 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000611463948 469255751 /nfs/dbraw/zinc/25/57/51/469255751.db2.gz JMESVYNNHHTNOT-OAHLLOKOSA-N -1 0 347.302 2.088 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000611558006 469278418 /nfs/dbraw/zinc/27/84/18/469278418.db2.gz QMGMFDRFETXTRG-HQJQHLMTSA-N -1 0 334.250 2.092 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccn2)C2CC2)ccc1[O-] ZINC000604480017 469482732 /nfs/dbraw/zinc/48/27/32/469482732.db2.gz MRPUFQOINZSEHN-UHFFFAOYSA-N -1 0 349.368 2.049 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000619466691 469615970 /nfs/dbraw/zinc/61/59/70/469615970.db2.gz KETPFFKAKNIHHV-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000617686021 469759017 /nfs/dbraw/zinc/75/90/17/469759017.db2.gz UEIWNMHSBLHZPT-UHFFFAOYSA-N -1 0 329.312 2.107 20 5 EEBDRM COc1cccc2c1OC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C2 ZINC000613930877 469818535 /nfs/dbraw/zinc/81/85/35/469818535.db2.gz JKLHJISROIKMLU-GFCCVEGCSA-N -1 0 344.323 2.043 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H](C(F)(F)F)O1 ZINC000613978565 469826552 /nfs/dbraw/zinc/82/65/52/469826552.db2.gz NLRDJLNQYNPLJA-WRWORJQWSA-N -1 0 334.250 2.092 20 5 EEBDRM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000614270318 469896348 /nfs/dbraw/zinc/89/63/48/469896348.db2.gz JHPCVWJWLRNCKF-FZMZJTMJSA-N -1 0 330.340 2.195 20 5 EEBDRM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000610227496 469989024 /nfs/dbraw/zinc/98/90/24/469989024.db2.gz XDBPMXDVVLJBLR-UHFFFAOYSA-N -1 0 340.295 2.119 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000263552254 536891827 /nfs/dbraw/zinc/89/18/27/536891827.db2.gz XBAHAKZQLGQJJI-NVBFEUDRSA-N -1 0 348.355 2.237 20 5 EEBDRM Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc(C)c1F ZINC000738320102 578009327 /nfs/dbraw/zinc/00/93/27/578009327.db2.gz OKEVVXJPIYVIQC-UHFFFAOYSA-N -1 0 348.286 2.094 20 5 EEBDRM O=c1c(-c2nnn[n-]2)cn(Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000738372767 578011502 /nfs/dbraw/zinc/01/15/02/578011502.db2.gz VAWZMVQJJHLYQX-UHFFFAOYSA-N -1 0 348.322 2.138 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC000773367111 577337109 /nfs/dbraw/zinc/33/71/09/577337109.db2.gz TWTLKYWZIPNNLA-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cncnc2)cc1[N+](=O)[O-] ZINC000767047471 577529643 /nfs/dbraw/zinc/52/96/43/577529643.db2.gz QHCRUDHXHDCTDV-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000760616833 577666952 /nfs/dbraw/zinc/66/69/52/577666952.db2.gz OWTWIOPTLMYQDH-UHFFFAOYSA-N -1 0 342.270 2.497 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2ccc(O)c(F)c2)cc([N+](=O)[O-])c1 ZINC000738672940 578023395 /nfs/dbraw/zinc/02/33/95/578023395.db2.gz NSFMYNYMDZIEQD-UHFFFAOYSA-N -1 0 334.259 2.068 20 5 EEBDRM O=C([O-])c1cccc(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000740225953 578086286 /nfs/dbraw/zinc/08/62/86/578086286.db2.gz RRLGKMSOYKPQCQ-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM CC(=O)N1CCC(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736135287 578182496 /nfs/dbraw/zinc/18/24/96/578182496.db2.gz BLOQGHASKHRRSV-HYXAFXHYSA-N -1 0 347.371 2.363 20 5 EEBDRM C[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])CN1CCOCC1 ZINC000736606719 578214530 /nfs/dbraw/zinc/21/45/30/578214530.db2.gz JKNWINGIYUSDRT-DXTPNHAXSA-N -1 0 349.387 2.073 20 5 EEBDRM CC[C@@H](C)CN(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736880597 578228264 /nfs/dbraw/zinc/22/82/64/578228264.db2.gz SBRXZTJVHVAZEE-MNOVXSKESA-N -1 0 337.376 2.280 20 5 EEBDRM CCC[C@@](C)(NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)[O-] ZINC000736959984 578230861 /nfs/dbraw/zinc/23/08/61/578230861.db2.gz STMFWOLULILHFN-OAHLLOKOSA-N -1 0 334.332 2.378 20 5 EEBDRM CC(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000817973098 597040329 /nfs/dbraw/zinc/04/03/29/597040329.db2.gz SSBREEOUKKXKOQ-JTQLQIEISA-N -1 0 334.250 2.453 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000819370744 597094265 /nfs/dbraw/zinc/09/42/65/597094265.db2.gz PCQYTFBMQQXSBI-SNVBAGLBSA-N -1 0 331.328 2.403 20 5 EEBDRM O=C([O-])c1ccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc1 ZINC000821545583 597394587 /nfs/dbraw/zinc/39/45/87/597394587.db2.gz HCBPRYGMXORUQX-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000820006511 597711183 /nfs/dbraw/zinc/71/11/83/597711183.db2.gz KJECVBPNANDXKH-UHFFFAOYSA-N -1 0 332.259 2.131 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821488330 598202633 /nfs/dbraw/zinc/20/26/33/598202633.db2.gz ZKZPNTVCWVLGJS-UHFFFAOYSA-N -1 0 342.298 2.446 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000830390506 601458903 /nfs/dbraw/zinc/45/89/03/601458903.db2.gz KVPFTAUMDGLABD-UHFFFAOYSA-N -1 0 334.284 2.388 20 5 EEBDRM CCNc1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000829809189 601601593 /nfs/dbraw/zinc/60/15/93/601601593.db2.gz UDKMXGYXZHEDRG-UHFFFAOYSA-N -1 0 335.360 2.401 20 5 EEBDRM CC[C@H]1CCC[C@@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000829118539 601688289 /nfs/dbraw/zinc/68/82/89/601688289.db2.gz JEEUZUHTZYPWOE-JQWIXIFHSA-N -1 0 335.360 2.400 20 5 EEBDRM O=C([O-])c1cccc(OCc2noc(-c3ccc([N+](=O)[O-])cn3)n2)c1 ZINC000833331633 602310148 /nfs/dbraw/zinc/31/01/48/602310148.db2.gz BBCVRWVDWQFIIA-UHFFFAOYSA-N -1 0 342.267 2.317 20 5 EEBDRM Cc1cc(NC2CCN(C(=O)C3CC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896307 602312987 /nfs/dbraw/zinc/31/29/87/602312987.db2.gz FKBSYUOCNPGIDS-UHFFFAOYSA-N -1 0 347.371 2.414 20 5 EEBDRM Cc1cc(NC[C@@H](O)COc2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896438 602314027 /nfs/dbraw/zinc/31/40/27/602314027.db2.gz JWAAGOUPFCYBNE-CYBMUJFWSA-N -1 0 346.339 2.453 20 5 EEBDRM COc1ccc(C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000832162470 602330799 /nfs/dbraw/zinc/33/07/99/602330799.db2.gz MRURUAOJSGTYHN-UHFFFAOYSA-N -1 0 337.313 2.035 20 5 EEBDRM CC(C)(C)OC(=O)NCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000230016132 605178877 /nfs/dbraw/zinc/17/88/77/605178877.db2.gz SNGINTCLBRYTRT-UHFFFAOYSA-N -1 0 325.321 2.230 20 5 EEBDRM CCC[C@](C)(NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000833647917 605288778 /nfs/dbraw/zinc/28/87/78/605288778.db2.gz LPCOQJYVOGMZSS-ZDUSSCGKSA-N -1 0 330.287 2.446 20 5 EEBDRM Cc1nc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)cn1C ZINC000134062906 676009606 /nfs/dbraw/zinc/00/96/06/676009606.db2.gz VEWYJRHEFQGQTL-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000262198196 676396122 /nfs/dbraw/zinc/39/61/22/676396122.db2.gz UKVMIWYYIYKCSG-NSHDSACASA-N -1 0 336.344 2.320 20 5 EEBDRM C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000177712527 681470069 /nfs/dbraw/zinc/47/00/69/681470069.db2.gz PRWUYZLGZHZPPO-GHMZBOCLSA-N -1 0 326.374 2.226 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237029270 681682040 /nfs/dbraw/zinc/68/20/40/681682040.db2.gz PNTKTMOVQDPPTN-GFCCVEGCSA-N -1 0 337.376 2.499 20 5 EEBDRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262153986 684108583 /nfs/dbraw/zinc/10/85/83/684108583.db2.gz BZMLLCOYQXGMNE-CYBMUJFWSA-N -1 0 333.344 2.152 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1=CCCCC1 ZINC000124921225 686238955 /nfs/dbraw/zinc/23/89/55/686238955.db2.gz ROVJFRZNTDWPLM-UHFFFAOYSA-N -1 0 328.321 2.039 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000263416155 689816168 /nfs/dbraw/zinc/81/61/68/689816168.db2.gz HWFJTLMIIIPWDK-MRXNPFEDSA-N -1 0 331.328 2.084 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[C@H]1C(=O)[O-] ZINC000863732985 1197842775 /nfs/dbraw/zinc/84/27/75/1197842775.db2.gz FILKKGCXIHPVBQ-CMPLNLGQSA-N -1 0 349.343 2.098 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)C=Cc1cccc(Cl)c1 ZINC000812317469 1200637835 /nfs/dbraw/zinc/63/78/35/1200637835.db2.gz HMIVBINOEGRXKZ-ALCCZGGFSA-N -1 0 339.760 2.478 20 5 EEBDRM CCC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000813076630 1201101134 /nfs/dbraw/zinc/10/11/34/1201101134.db2.gz NMHALBPADVCZDB-TZMCWYRMSA-N -1 0 340.401 2.020 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000850151373 1277065210 /nfs/dbraw/zinc/06/52/10/1277065210.db2.gz UIVVOESEJJAAEI-IHRRRGAJSA-N -1 0 348.355 2.039 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000850889187 1277381387 /nfs/dbraw/zinc/38/13/87/1277381387.db2.gz TWIJSXSOSUSMPT-VIFPVBQESA-N -1 0 344.364 2.365 20 5 EEBDRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001213665625 1296129699 /nfs/dbraw/zinc/12/96/99/1296129699.db2.gz CCICRGMXPXTXJC-UHFFFAOYSA-N -1 0 349.368 2.472 20 5 EEBDRM COC(=O)c1ncc2n1CCC[C@@H]2Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225624962 1301098095 /nfs/dbraw/zinc/09/80/95/1301098095.db2.gz FXUNIDKTBFTSCK-NSHDSACASA-N -1 0 333.300 2.197 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CCc3c2cccc3C)c1[N+](=O)[O-] ZINC001226651202 1301494895 /nfs/dbraw/zinc/49/48/95/1301494895.db2.gz DGZVIKBWOGLENL-LLVKDONJSA-N -1 0 345.311 2.252 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1[n-]c(=O)nc2cccc(F)c21 ZINC001231073778 1303613032 /nfs/dbraw/zinc/61/30/32/1303613032.db2.gz JDLRDTOIPQSFEN-QMMMGPOBSA-N -1 0 347.306 2.355 20 5 EEBDRM CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000781827119 1303874051 /nfs/dbraw/zinc/87/40/51/1303874051.db2.gz ZQVRDQYMFAQQID-VIFPVBQESA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](F)C(C)C)cc([N+](=O)[O-])c1C ZINC000784482480 1304487993 /nfs/dbraw/zinc/48/79/93/1304487993.db2.gz QIPUJPZHZMLDKN-GFCCVEGCSA-N -1 0 332.353 2.011 20 5 EEBDRM O=C(OCc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC001122624393 1310359835 /nfs/dbraw/zinc/35/98/35/1310359835.db2.gz BFLOVXPQLYZZKN-UHFFFAOYSA-N -1 0 331.328 2.117 20 5 EEBDRM CC(C)[C@H](CO)O[N-]C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000836891666 1315038670 /nfs/dbraw/zinc/03/86/70/1315038670.db2.gz NXSDZXKMLUPCIO-NSHDSACASA-N -1 0 348.808 2.405 20 5 EEBDRM CN(C)S(=O)(=O)c1cccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210401178 1325266295 /nfs/dbraw/zinc/26/62/95/1325266295.db2.gz QWYJJFMVDVZNGT-UHFFFAOYSA-N -1 0 337.357 2.294 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC1(C(=O)[O-])CCCC1 ZINC001601007477 1350187968 /nfs/dbraw/zinc/18/79/68/1350187968.db2.gz SRGZSKRJVPSQRJ-UHFFFAOYSA-N -1 0 336.270 2.404 20 5 EEBDRM O=C([O-])C1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC001601281526 1350247864 /nfs/dbraw/zinc/24/78/64/1350247864.db2.gz DJHRWAZPWRQCPJ-UHFFFAOYSA-N -1 0 342.735 2.141 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001602234235 1350472184 /nfs/dbraw/zinc/47/21/84/1350472184.db2.gz XHDURXHJPNSVQY-UHFFFAOYSA-N -1 0 325.752 2.231 20 5 EEBDRM O=C([O-])c1ccc(OCCn2cc([N+](=O)[O-])ccc2=O)c(Cl)c1 ZINC001602391348 1350509628 /nfs/dbraw/zinc/50/96/28/1350509628.db2.gz KKLIWPNCCFKBST-UHFFFAOYSA-N -1 0 338.703 2.187 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001607708931 1351543709 /nfs/dbraw/zinc/54/37/09/1351543709.db2.gz BHOVXCOREAHOQH-UHFFFAOYSA-N -1 0 334.284 2.165 20 5 EEBDRM Cc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001607725617 1351547004 /nfs/dbraw/zinc/54/70/04/1351547004.db2.gz AKVHTUYRGFILRB-UHFFFAOYSA-N -1 0 329.312 2.269 20 5 EEBDRM O=C([O-])[C@@H]1CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001608639115 1351731505 /nfs/dbraw/zinc/73/15/05/1351731505.db2.gz PYZVJUWTKDEWQE-LURJTMIESA-N -1 0 337.090 2.340 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CCO1 ZINC001608643592 1351731799 /nfs/dbraw/zinc/73/17/99/1351731799.db2.gz IPZCSJZDOAIDIT-CQSZACIVSA-N -1 0 345.311 2.065 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001608648613 1351733335 /nfs/dbraw/zinc/73/33/35/1351733335.db2.gz FYEPXXIVGKGXJG-QMMMGPOBSA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCCC1 ZINC001608670917 1351738488 /nfs/dbraw/zinc/73/84/88/1351738488.db2.gz ZWVRCPWTQNAIDJ-CYBMUJFWSA-N -1 0 338.335 2.426 20 5 EEBDRM O=C([O-])COc1ccc(CNCc2ccccc2F)cc1[N+](=O)[O-] ZINC001608759593 1351756881 /nfs/dbraw/zinc/75/68/81/1351756881.db2.gz RHFGWUBHRMDJCM-UHFFFAOYSA-N -1 0 334.303 2.487 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@H](O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001608780911 1351762221 /nfs/dbraw/zinc/76/22/21/1351762221.db2.gz XFQMLEFNGSHXBA-AWEZNQCLSA-N -1 0 348.330 2.377 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2nccc3cccnc32)cc([N+](=O)[O-])c1 ZINC001608856288 1351779785 /nfs/dbraw/zinc/77/97/85/1351779785.db2.gz RLUNYWYEVJWXKB-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2cccc(N3CCOC3=O)c2)n1 ZINC001608915685 1351793488 /nfs/dbraw/zinc/79/34/88/1351793488.db2.gz LUZCHEWQMDRGJQ-UHFFFAOYSA-N -1 0 344.283 2.388 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC001609011586 1351813714 /nfs/dbraw/zinc/81/37/14/1351813714.db2.gz XYTVQTOTROEIJR-JTQLQIEISA-N -1 0 344.117 2.377 20 5 EEBDRM C[C@@H](NC(=O)C(=O)[N-]OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001323395422 1333455023 /nfs/dbraw/zinc/45/50/23/1333455023.db2.gz HVWYSXSCJCCDSE-GFCCVEGCSA-N -1 0 343.339 2.020 20 5 EEBDRM CCC(CC)(NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001609916223 1352118937 /nfs/dbraw/zinc/11/89/37/1352118937.db2.gz XTDDHPIVCVTTFU-UHFFFAOYSA-N -1 0 330.287 2.175 20 5 EEBDRM CC[C@@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC001609948400 1352127108 /nfs/dbraw/zinc/12/71/08/1352127108.db2.gz QPZNDYOUCPGHGC-DGCLKSJQSA-N -1 0 338.360 2.058 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001610045149 1352148608 /nfs/dbraw/zinc/14/86/08/1352148608.db2.gz SIPPOPFULOKKKE-NSHDSACASA-N -1 0 337.332 2.368 20 5 EEBDRM CO[C@@H]1CCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC001610238958 1352192651 /nfs/dbraw/zinc/19/26/51/1352192651.db2.gz KCEPBQMKCPJRHN-OVNLOREASA-N -1 0 348.355 2.089 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1COC(=O)c1ccncc1C(=O)[O-] ZINC001610306473 1352203035 /nfs/dbraw/zinc/20/30/35/1352203035.db2.gz BVSTZJCAMZKFCF-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC001610347821 1352209005 /nfs/dbraw/zinc/20/90/05/1352209005.db2.gz KGWPAPDZCWLXJZ-GFCCVEGCSA-N -1 0 336.325 2.221 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001610392395 1352215252 /nfs/dbraw/zinc/21/52/52/1352215252.db2.gz GKVYRRWXIZAVSV-GMSGAONNSA-N -1 0 346.261 2.406 20 5 EEBDRM Cc1c(NC(=O)COCc2ccncc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610420066 1352219863 /nfs/dbraw/zinc/21/98/63/1352219863.db2.gz RDYVKKQKALOMKI-UHFFFAOYSA-N -1 0 345.311 2.152 20 5 EEBDRM Cc1c(NC(=O)N[C@H]2CSC[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610423691 1352220256 /nfs/dbraw/zinc/22/02/56/1352220256.db2.gz CPHZEJHHJWPWBA-HQJQHLMTSA-N -1 0 339.373 2.474 20 5 EEBDRM Cc1cc([C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])ccc1F ZINC001610448142 1352223757 /nfs/dbraw/zinc/22/37/57/1352223757.db2.gz UNKMCHZPRGZYMO-CQSZACIVSA-N -1 0 347.302 2.180 20 5 EEBDRM Cc1nc2c(cnn2C)c(Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001610561188 1352244794 /nfs/dbraw/zinc/24/47/94/1352244794.db2.gz XKTDUOPODLZICC-UHFFFAOYSA-N -1 0 329.272 2.070 20 5 EEBDRM Cc1nccn1CCCOC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610565269 1352246035 /nfs/dbraw/zinc/24/60/35/1352246035.db2.gz LKDLZPJREJFESA-UHFFFAOYSA-N -1 0 333.300 2.045 20 5 EEBDRM O=C([O-])COc1ccc(CN[C@@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC001610786798 1352274326 /nfs/dbraw/zinc/27/43/26/1352274326.db2.gz PFIIUOMFWQSUHS-ZDUSSCGKSA-N -1 0 348.277 2.489 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC001610791990 1352275479 /nfs/dbraw/zinc/27/54/79/1352275479.db2.gz ZHOSSXWCNCJJFX-UHFFFAOYSA-N -1 0 330.344 2.329 20 5 EEBDRM CC(C)(C)CN(CCCO)c1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001589128898 1348963236 /nfs/dbraw/zinc/96/32/36/1348963236.db2.gz LKIRIQDWLQLYFZ-UHFFFAOYSA-N -1 0 334.380 2.010 20 5 EEBDRM O=[N+]([O-])c1cn(Cc2cccc(C(F)(F)F)c2)nc1-c1nnn[n-]1 ZINC001593485693 1349814714 /nfs/dbraw/zinc/81/47/14/1349814714.db2.gz FTHWTFSPUKMZMC-UHFFFAOYSA-N -1 0 339.237 2.039 20 5 EEBDRM Cc1c(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC001600011408 1349955097 /nfs/dbraw/zinc/95/50/97/1349955097.db2.gz PUFGRQYLMTUQME-MRXNPFEDSA-N -1 0 328.324 2.388 20 5 EEBDRM Cc1c(NC(=O)[C@@H](C)Oc2ccccn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600031022 1349958133 /nfs/dbraw/zinc/95/81/33/1349958133.db2.gz PQHUYHLNXMXMMR-SNVBAGLBSA-N -1 0 345.311 2.402 20 5 EEBDRM Cc1c(NCC(=O)NCc2ccccc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600048166 1349961976 /nfs/dbraw/zinc/96/19/76/1349961976.db2.gz CDWUHMYGQCWENU-UHFFFAOYSA-N -1 0 343.339 2.330 20 5 EEBDRM Cc1cc(COC(=O)CCc2ocnc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600213900 1349994422 /nfs/dbraw/zinc/99/44/22/1349994422.db2.gz BCNKESKWMLMMGC-UHFFFAOYSA-N -1 0 334.284 2.265 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600216475 1349995090 /nfs/dbraw/zinc/99/50/90/1349995090.db2.gz TXEMQJDZICSNOS-CYBMUJFWSA-N -1 0 330.699 2.195 20 5 EEBDRM Cc1ccc(NCCCNc2nccnc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001600460541 1350057359 /nfs/dbraw/zinc/05/73/59/1350057359.db2.gz YSQTUQGWNGLXAJ-UHFFFAOYSA-N -1 0 331.332 2.306 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001600552190 1350080370 /nfs/dbraw/zinc/08/03/70/1350080370.db2.gz QSLOKPNZCQNTCH-UHFFFAOYSA-N -1 0 335.341 2.030 20 5 EEBDRM Cn1cc(C(=O)O[C@@H](C(=O)[O-])C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001600941199 1350173081 /nfs/dbraw/zinc/17/30/81/1350173081.db2.gz MHPMHILDJDZPNY-CQSZACIVSA-N -1 0 345.311 2.015 20 5 EEBDRM Cn1cnc2cc(CNc3nccc(C(=O)[O-])c3[N+](=O)[O-])ccc21 ZINC001600991156 1350184273 /nfs/dbraw/zinc/18/42/73/1350184273.db2.gz NCSMRLWHAYNSAU-UHFFFAOYSA-N -1 0 327.300 2.187 20 5 EEBDRM NC(=O)[C@H]1CC[C@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001601160268 1350222267 /nfs/dbraw/zinc/22/22/67/1350222267.db2.gz HMMKXNWPJAUZGA-BHWBJWSYSA-N -1 0 347.371 2.396 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001601261042 1350243853 /nfs/dbraw/zinc/24/38/53/1350243853.db2.gz KZRVDZMUKROLEG-AWEZNQCLSA-N -1 0 348.355 2.414 20 5 EEBDRM O=C([O-])[C@]12CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]1CCCC2 ZINC001601362068 1350266531 /nfs/dbraw/zinc/26/65/31/1350266531.db2.gz OHONHYVKTOYAMD-CXAGYDPISA-N -1 0 332.356 2.241 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc2ccccc21 ZINC001601582325 1350312654 /nfs/dbraw/zinc/31/26/54/1350312654.db2.gz CAWZTCCVRAPZSR-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])C1=NO[C@@]2(CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001601743521 1350353575 /nfs/dbraw/zinc/35/35/75/1350353575.db2.gz JFETZJLBXKQULX-ZDUSSCGKSA-N -1 0 325.708 2.058 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001601895403 1350392473 /nfs/dbraw/zinc/39/24/73/1350392473.db2.gz QDMFACHBRVIBLN-NSHDSACASA-N -1 0 338.385 2.304 20 5 EEBDRM O=C([O-])COc1ccc(CNCc2cc(C3CC3)no2)cc1[N+](=O)[O-] ZINC001602085114 1350433113 /nfs/dbraw/zinc/43/31/13/1350433113.db2.gz WFIFZBAZZZTDCQ-UHFFFAOYSA-N -1 0 347.327 2.213 20 5 EEBDRM O=C([O-])Cc1ccc(NCc2cn(C3CCC3)nn2)c([N+](=O)[O-])c1 ZINC001602138792 1350448310 /nfs/dbraw/zinc/44/83/10/1350448310.db2.gz WBBIVSZFVYCGSN-UHFFFAOYSA-N -1 0 331.332 2.151 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1c1ccccc1 ZINC001602185744 1350460139 /nfs/dbraw/zinc/46/01/39/1350460139.db2.gz HEFVPKWLPHNPQZ-VXGBXAGGSA-N -1 0 330.296 2.128 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2nncc3ccccc32)cc([N+](=O)[O-])c1 ZINC001602286190 1350486181 /nfs/dbraw/zinc/48/61/81/1350486181.db2.gz KNQFWMKRKNWVMU-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM O=C([O-])c1ccc(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)cc1 ZINC001602360530 1350503338 /nfs/dbraw/zinc/50/33/38/1350503338.db2.gz BANHCMPXDQIBKK-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM O=C([O-])c1ccc2[nH]c(CNC(=O)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC001602406207 1350512361 /nfs/dbraw/zinc/51/23/61/1350512361.db2.gz GJZMFVHHHDESFB-UHFFFAOYSA-N -1 0 340.295 2.099 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC001602446277 1350521312 /nfs/dbraw/zinc/52/13/12/1350521312.db2.gz SOPUWNQOJGHQQB-NWDGAFQWSA-N -1 0 327.296 2.430 20 5 EEBDRM O=C([O-])c1ccnc(NCC2(O)CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC001602483361 1350529700 /nfs/dbraw/zinc/52/97/00/1350529700.db2.gz JAZBDUYIIZRDLG-UHFFFAOYSA-N -1 0 331.275 2.040 20 5 EEBDRM O=C([O-])c1ccnc(NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC001602484167 1350529879 /nfs/dbraw/zinc/52/98/79/1350529879.db2.gz XCFPEHYSWNWBKB-UHFFFAOYSA-N -1 0 342.315 2.004 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001602526404 1350538915 /nfs/dbraw/zinc/53/89/15/1350538915.db2.gz KTVADPOBQZOTBE-LLVKDONJSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1sccc1S(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC001602598857 1350553966 /nfs/dbraw/zinc/55/39/66/1350553966.db2.gz WZTOODITAPGIJD-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001602605579 1350555329 /nfs/dbraw/zinc/55/53/29/1350555329.db2.gz GKRXOYIAQXQCOL-UTLUCORTSA-N -1 0 333.218 2.462 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2NC(=O)C[C@H]2c2ccccc2)c1 ZINC001602634626 1350562739 /nfs/dbraw/zinc/56/27/39/1350562739.db2.gz GNHZNHIRXLVJTM-HNNXBMFYSA-N -1 0 341.323 2.271 20 5 EEBDRM O=C([O-])/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)CN1CCC(=O)CC1 ZINC001602647258 1350565382 /nfs/dbraw/zinc/56/53/82/1350565382.db2.gz ZJKIWFDKYQVCBF-YRNVUSSQSA-N -1 0 338.747 2.381 20 5 EEBDRM CC1(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCC(=O)CC1 ZINC001604503220 1350950351 /nfs/dbraw/zinc/95/03/51/1350950351.db2.gz MAWWTDMSHUHXRI-UHFFFAOYSA-N -1 0 335.312 2.486 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(-c2nn[nH]n2)cc1F ZINC001604618021 1350971305 /nfs/dbraw/zinc/97/13/05/1350971305.db2.gz VUATZOXIQBMAQI-UHFFFAOYSA-N -1 0 333.283 2.231 20 5 EEBDRM CC1CC(CS(=O)(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001604670248 1350981272 /nfs/dbraw/zinc/98/12/72/1350981272.db2.gz ZOVNXKVVGSEWLZ-UHFFFAOYSA-N -1 0 329.330 2.048 20 5 EEBDRM CC[C@H](OC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001605115969 1351080769 /nfs/dbraw/zinc/08/07/69/1351080769.db2.gz JPCHMYYPJQOXOD-HQJQHLMTSA-N -1 0 329.280 2.399 20 5 EEBDRM CCC[C@@](C)(NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001605198400 1351100677 /nfs/dbraw/zinc/10/06/77/1351100677.db2.gz OKNKAIIHRGPKDN-OAHLLOKOSA-N -1 0 326.324 2.426 20 5 EEBDRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001606581677 1351325639 /nfs/dbraw/zinc/32/56/39/1351325639.db2.gz YNSJNUFEZSYVGB-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM COc1nc(C)cc(C)c1CN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607356010 1351481527 /nfs/dbraw/zinc/48/15/27/1351481527.db2.gz VQBFMHPSQSSWNA-UHFFFAOYSA-N -1 0 346.343 2.345 20 5 EEBDRM C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C1CCCC1 ZINC001607422614 1351492279 /nfs/dbraw/zinc/49/22/79/1351492279.db2.gz JGWLCHJJQSCPQQ-SECBINFHSA-N -1 0 342.373 2.150 20 5 EEBDRM Cc1c(NC(=O)NC[C@@H](C)CCCO)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607542573 1351513225 /nfs/dbraw/zinc/51/32/25/1351513225.db2.gz PAUJONUACWBRDA-VIFPVBQESA-N -1 0 339.348 2.132 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](CO)CC(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607547249 1351514104 /nfs/dbraw/zinc/51/41/04/1351514104.db2.gz ZQQWHHNFCCQPAI-LLVKDONJSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1cc(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)ccc1[N+](=O)[O-] ZINC001607577720 1351518727 /nfs/dbraw/zinc/51/87/27/1351518727.db2.gz RKSRDCSTPVQBGZ-LLVKDONJSA-N -1 0 344.327 2.063 20 5 EEBDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001607842678 1351569977 /nfs/dbraw/zinc/56/99/77/1351569977.db2.gz NZQYOEGSUKABLT-CQSZACIVSA-N -1 0 343.339 2.431 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001608072158 1351619193 /nfs/dbraw/zinc/61/91/93/1351619193.db2.gz DVGUSMUXXJVPJN-UHFFFAOYSA-N -1 0 338.345 2.115 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC001608363838 1351679325 /nfs/dbraw/zinc/67/93/25/1351679325.db2.gz HECWLFYXTFNNQR-UHFFFAOYSA-N -1 0 349.730 2.200 20 5 EEBDRM O=C(C[C@@H]1C=CCCC1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886284 1367163480 /nfs/dbraw/zinc/16/34/80/1367163480.db2.gz SJWRDMLKZODOST-SNVBAGLBSA-N -1 0 342.348 2.285 20 5 EEBDRM O=C([N-]OCCC1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000815792306 1368061692 /nfs/dbraw/zinc/06/16/92/1368061692.db2.gz XHXRCCSZLUVSPY-UHFFFAOYSA-N -1 0 327.724 2.035 20 5 EEBDRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)s1 ZINC000112160624 775439806 /nfs/dbraw/zinc/43/98/06/775439806.db2.gz SCXSHKDZUKZJDP-UHFFFAOYSA-N -1 0 346.411 2.399 20 5 EEBDRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151430208 788957783 /nfs/dbraw/zinc/95/77/83/788957783.db2.gz GDONDCNGSSJIRN-GFCCVEGCSA-N -1 0 342.417 2.410 20 5 EEBDRM CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000172017284 791519337 /nfs/dbraw/zinc/51/93/37/791519337.db2.gz WGXFQLZXYZOORT-MRVPVSSYSA-N -1 0 334.781 2.345 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000261939838 794826042 /nfs/dbraw/zinc/82/60/42/794826042.db2.gz UOCOGCPYFOFIBB-LBPRGKRZSA-N -1 0 336.344 2.077 20 5 EEBDRM CNC(=O)Cc1ccccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174507600 797785840 /nfs/dbraw/zinc/78/58/40/797785840.db2.gz NJHLPDUGQMLUFQ-UHFFFAOYSA-N -1 0 329.312 2.325 20 5 EEBDRM Cc1c(Br)c(=NOC[C@@H]2CCOC2)[n-]cc1[N+](=O)[O-] ZINC000788084046 807370094 /nfs/dbraw/zinc/37/00/94/807370094.db2.gz WRYBNJHKCRRFJO-MRVPVSSYSA-N -1 0 332.154 2.441 20 5 EEBDRM Cc1coc(C)c1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000793179763 810176236 /nfs/dbraw/zinc/17/62/36/810176236.db2.gz LUNFSOLZBIFCPU-UHFFFAOYSA-N -1 0 342.304 2.062 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001594988153 951032534 /nfs/dbraw/zinc/03/25/34/951032534.db2.gz VHJABHBOGRBAJM-NILFDRSVSA-N -1 0 332.356 2.412 20 5 EEBDRM O=C([O-])CN(CC1CC1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001595070144 951591791 /nfs/dbraw/zinc/59/17/91/951591791.db2.gz OHLYHJSONRIZTR-UHFFFAOYSA-N -1 0 332.356 2.340 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)C1 ZINC001594818806 953890882 /nfs/dbraw/zinc/89/08/82/953890882.db2.gz VGXLYXRFGOBIEB-WDEREUQCSA-N -1 0 344.327 2.424 20 5 EEBDRM O=C([O-])C[C@H]1COCCN1c1ccc([N+](=O)[O-])cc1Br ZINC000129533222 958711226 /nfs/dbraw/zinc/71/12/26/958711226.db2.gz MAGYRGXDNKAURO-VIFPVBQESA-N -1 0 345.149 2.037 20 5 EEBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC001573820376 960947666 /nfs/dbraw/zinc/94/76/66/960947666.db2.gz JSJMUWBWHZHZIR-OAHLLOKOSA-N -1 0 339.323 2.033 20 5 EEBDRM CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)CC(=O)[O-] ZINC001331048932 961360785 /nfs/dbraw/zinc/36/07/85/961360785.db2.gz HXTPIJCJECDHPJ-UHFFFAOYSA-N -1 0 333.344 2.330 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001574507244 961788693 /nfs/dbraw/zinc/78/86/93/961788693.db2.gz RIXPGCCFPXISIP-CQSZACIVSA-N -1 0 341.323 2.001 20 5 EEBDRM COC(=O)/C=C/c1ccc(N[C@H]2CCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001574054775 962166890 /nfs/dbraw/zinc/16/68/90/962166890.db2.gz LOMCSKFVZHHQRK-OWVOXGNYSA-N -1 0 334.328 2.446 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H](C(=O)[O-])C1 ZINC000841491766 969221841 /nfs/dbraw/zinc/22/18/41/969221841.db2.gz XQGHYCUUFZRDHD-MRVPVSSYSA-N -1 0 342.735 2.336 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000852911818 969291472 /nfs/dbraw/zinc/29/14/72/969291472.db2.gz FLBOBIPXTFDNBW-MWLCHTKSSA-N -1 0 333.344 2.169 20 5 EEBDRM O=C([O-])C1(C(=O)OCc2ccc([N+](=O)[O-])cc2F)CCSCC1 ZINC001605952068 972919012 /nfs/dbraw/zinc/91/90/12/972919012.db2.gz POBDDOFPWXHPBZ-UHFFFAOYSA-N -1 0 343.332 2.375 20 5 EEBDRM O=C([O-])C1(C(=O)OCCc2ccc([N+](=O)[O-])cc2)CCSCC1 ZINC001605952514 972922395 /nfs/dbraw/zinc/92/23/95/972922395.db2.gz ZDDFIMDYFZPOBN-UHFFFAOYSA-N -1 0 339.369 2.279 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001605654818 974039560 /nfs/dbraw/zinc/03/95/60/974039560.db2.gz RWMOXHHVRRFKDO-VIFPVBQESA-N -1 0 339.323 2.033 20 5 EEBDRM O=C([O-])c1ccccc1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001605699303 974125282 /nfs/dbraw/zinc/12/52/82/974125282.db2.gz SDUMEWORYNVWMF-UHFFFAOYSA-N -1 0 329.312 2.021 20 5 EEBDRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000692403447 976446972 /nfs/dbraw/zinc/44/69/72/976446972.db2.gz NATMXAVWESXLND-UHFFFAOYSA-N -1 0 332.287 2.461 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC001592289572 977606437 /nfs/dbraw/zinc/60/64/37/977606437.db2.gz ICDFZFIVHKENQW-QGZVFWFLSA-N -1 0 343.339 2.039 20 5 EEBDRM CC(C)OC(=O)CC[C@H](C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001592470000 978216460 /nfs/dbraw/zinc/21/64/60/978216460.db2.gz DPIYYXYBHPZOMC-VIFPVBQESA-N -1 0 325.321 2.220 20 5 EEBDRM C[C@H](CN(C)C(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001592574517 978472235 /nfs/dbraw/zinc/47/22/35/978472235.db2.gz XAKNSDLYLSZKGI-SSDOTTSWSA-N -1 0 345.149 2.150 20 5 EEBDRM C[C@H](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1)C(=O)[O-] ZINC001592872619 979731025 /nfs/dbraw/zinc/73/10/25/979731025.db2.gz LGOHDHITZJGVPD-SNVBAGLBSA-N -1 0 331.328 2.449 20 5 EEBDRM CC[C@@](NC(=O)c1cc([N+](=O)[O-])ccc1N)(C(=O)[O-])c1ccccc1 ZINC001595266555 980281069 /nfs/dbraw/zinc/28/10/69/980281069.db2.gz ZGQPAUHAFHGGPS-KRWDZBQOSA-N -1 0 343.339 2.297 20 5 EEBDRM CCC1=C(C(=O)[O-])[C@H](c2c(C)ccc([N+](=O)[O-])c2C)NC(=S)N1 ZINC001595399424 980971493 /nfs/dbraw/zinc/97/14/93/980971493.db2.gz OMVYCOUERVNSPV-ZDUSSCGKSA-N -1 0 335.385 2.479 20 5 EEBDRM CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001594841659 982057527 /nfs/dbraw/zinc/05/75/27/982057527.db2.gz GCXFQBGBBRDJBH-ZDUSSCGKSA-N -1 0 332.259 2.179 20 5 EEBDRM CC(=O)NC1CCC(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001589120297 985386938 /nfs/dbraw/zinc/38/69/38/985386938.db2.gz VSCNMEDFBAXISD-UHFFFAOYSA-N -1 0 335.360 2.081 20 5 EEBDRM CC(=O)Nc1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001589194841 985613219 /nfs/dbraw/zinc/61/32/19/985613219.db2.gz LPZPOTIXOICLJA-UHFFFAOYSA-N -1 0 330.300 2.259 20 5 EEBDRM C[C@@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)C1O ZINC001594560947 986309247 /nfs/dbraw/zinc/30/92/47/986309247.db2.gz CWIYKYRDSHDNQX-HTQZYQBOSA-N -1 0 328.752 2.400 20 5 EEBDRM C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC001594563054 986341766 /nfs/dbraw/zinc/34/17/66/986341766.db2.gz XTLIJVPUFNWBDC-HQJQHLMTSA-N -1 0 334.250 2.449 20 5 EEBDRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])nc1)c1ccc([N+](=O)[O-])cc1F ZINC001589415119 986640798 /nfs/dbraw/zinc/64/07/98/986640798.db2.gz ODJOTFXEMAUNMH-SECBINFHSA-N -1 0 347.302 2.247 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1 ZINC001599822029 988531228 /nfs/dbraw/zinc/53/12/28/988531228.db2.gz BMIJVKPGDLRAHK-OLBFVZFUSA-N -1 0 336.369 2.300 20 5 EEBDRM C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1CC(=O)[O-] ZINC001599853312 989048126 /nfs/dbraw/zinc/04/81/26/989048126.db2.gz HRUORMWMVLYENT-ZYHUDNBSSA-N -1 0 338.335 2.236 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC001597772706 989240230 /nfs/dbraw/zinc/24/02/30/989240230.db2.gz APXCKLPDRBNFOQ-UHFFFAOYSA-N -1 0 349.324 2.268 20 5 EEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598079029 990391314 /nfs/dbraw/zinc/39/13/14/990391314.db2.gz QAGROXGUPINZNK-CQSZACIVSA-N -1 0 329.312 2.075 20 5 EEBDRM CC(C)(CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)CC(=O)[O-] ZINC001590757033 990555158 /nfs/dbraw/zinc/55/51/58/990555158.db2.gz KSQIJJYQNBPVFA-UHFFFAOYSA-N -1 0 346.343 2.011 20 5 EEBDRM CN(C)c1cc(F)c(C(=O)N(C)C(C)(C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598305520 991259669 /nfs/dbraw/zinc/25/96/69/991259669.db2.gz JNGOUBVEVRAZBS-UHFFFAOYSA-N -1 0 341.339 2.125 20 5 EEBDRM COc1cnc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c(F)c1 ZINC001599723338 991576187 /nfs/dbraw/zinc/57/61/87/991576187.db2.gz JXYWWRZOSGZMAK-UHFFFAOYSA-N -1 0 349.274 2.396 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001591582146 992791793 /nfs/dbraw/zinc/79/17/93/992791793.db2.gz OELOEOSKBDABHP-UHFFFAOYSA-N -1 0 347.730 2.295 20 5 EEBDRM CN(Cc1cccnc1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001598532189 992795829 /nfs/dbraw/zinc/79/58/29/992795829.db2.gz VQWUHOYKHODUSG-UHFFFAOYSA-N -1 0 332.272 2.233 20 5 EEBDRM CN(c1ccccc1)[C@@H]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001598545175 992937741 /nfs/dbraw/zinc/93/77/41/992937741.db2.gz VLSMWBSTSUSOLZ-CYBMUJFWSA-N -1 0 342.355 2.403 20 5 EEBDRM COc1ccc(NC(=O)NCc2ccoc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599594439 993731429 /nfs/dbraw/zinc/73/14/29/993731429.db2.gz QZRMGEZTPXURTM-UHFFFAOYSA-N -1 0 335.272 2.216 20 5 EEBDRM C[C@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001593108581 993765876 /nfs/dbraw/zinc/76/58/76/993765876.db2.gz FXXWIGABSJCJFK-VLMXXORWSA-N -1 0 347.371 2.454 20 5 EEBDRM CNc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001598677242 994867277 /nfs/dbraw/zinc/86/72/77/994867277.db2.gz JZCJTLAYBMVEGB-ZDUSSCGKSA-N -1 0 343.339 2.062 20 5 EEBDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001593689857 996134411 /nfs/dbraw/zinc/13/44/11/996134411.db2.gz LFYWOWAFVSKJRG-NSHDSACASA-N -1 0 346.343 2.164 20 5 EEBDRM C[C@H](c1ccccc1)[C@@H](O)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001593706262 996195356 /nfs/dbraw/zinc/19/53/56/996195356.db2.gz ORIYBHMFBHGIKE-YGRLFVJLSA-N -1 0 331.328 2.265 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001593771257 996463687 /nfs/dbraw/zinc/46/36/87/996463687.db2.gz NGKYJOGFWMEYQM-CQSZACIVSA-N -1 0 325.296 2.453 20 5 EEBDRM CC1(C)CCC[C@@](NC(=O)c2ccc([N+](=O)[O-])cc2N)(C(=O)[O-])C1 ZINC001593892806 996743371 /nfs/dbraw/zinc/74/33/71/996743371.db2.gz SKUZCMNNEJBJAA-INIZCTEOSA-N -1 0 335.360 2.330 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001599186604 997036767 /nfs/dbraw/zinc/03/67/67/997036767.db2.gz FWHKYMJILJHYML-SKHCZCESSA-N -1 0 348.355 2.090 20 5 EEBDRM COc1c(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cccc1[N+](=O)[O-] ZINC001599328878 997712707 /nfs/dbraw/zinc/71/27/07/997712707.db2.gz MMBRRNWDLBLNQR-LBPRGKRZSA-N -1 0 336.344 2.367 20 5 EEBDRM COC(=O)c1cc(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cn1C ZINC001598949689 998126077 /nfs/dbraw/zinc/12/60/77/998126077.db2.gz DJNKQCKFOHVVMD-UHFFFAOYSA-N -1 0 333.300 2.091 20 5 EEBDRM COc1ccc(CN(C)c2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1F ZINC001599559179 998156257 /nfs/dbraw/zinc/15/62/57/998156257.db2.gz YROCZEJPJSPSGY-UHFFFAOYSA-N -1 0 335.291 2.472 20 5 EEBDRM COc1ccc(CNC(=O)c2oc(C(=O)[O-])cc2C)cc1[N+](=O)[O-] ZINC001599572079 998381317 /nfs/dbraw/zinc/38/13/17/998381317.db2.gz QANCZMYMIGESLH-UHFFFAOYSA-N -1 0 334.284 2.133 20 5 EEBDRM COC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C(C)C ZINC001599171621 998616546 /nfs/dbraw/zinc/61/65/46/998616546.db2.gz VDNYSHMAXODWDC-GFCCVEGCSA-N -1 0 339.348 2.394 20 5 EEBDRM C[C@@H]1C[C@H]1c1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC001594277724 999074466 /nfs/dbraw/zinc/07/44/66/999074466.db2.gz RQJHYNPOCRVPDA-RDDDGLTNSA-N -1 0 330.300 2.392 20 5 EEBDRM CC1CCC(NC(=O)COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001594313122 999203828 /nfs/dbraw/zinc/20/38/28/999203828.db2.gz HHCALSISFGUZJD-UHFFFAOYSA-N -1 0 336.344 2.367 20 5 EEBDRM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175030345 231370654 /nfs/dbraw/zinc/37/06/54/231370654.db2.gz XEGHNIKSCGXILC-UHFFFAOYSA-N -1 0 344.371 2.214 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000190481698 238523687 /nfs/dbraw/zinc/52/36/87/238523687.db2.gz YHQGUWKDHKLQGJ-JTQLQIEISA-N -1 0 329.312 2.080 20 5 EEBDRM COc1cccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000450521098 242840957 /nfs/dbraw/zinc/84/09/57/242840957.db2.gz SIWHCKQEWGSNEU-NSHDSACASA-N -1 0 336.344 2.320 20 5 EEBDRM Cc1oc(CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000262482967 244996685 /nfs/dbraw/zinc/99/66/85/244996685.db2.gz KSAQOSKGSGTUJZ-UHFFFAOYSA-N -1 0 332.312 2.396 20 5 EEBDRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262506969 245007825 /nfs/dbraw/zinc/00/78/25/245007825.db2.gz MPEZRCFGYMSVGH-ZETCQYMHSA-N -1 0 340.641 2.384 20 5 EEBDRM CCC[C@@](C)(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000262576537 245040340 /nfs/dbraw/zinc/04/03/40/245040340.db2.gz DOEUAGYHENGYNG-MRXNPFEDSA-N -1 0 347.327 2.222 20 5 EEBDRM C[C@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCCC[C@H]1C(=O)[O-] ZINC000262790457 245180778 /nfs/dbraw/zinc/18/07/78/245180778.db2.gz NCLCBEQLTCFSQE-BBRMVZONSA-N -1 0 336.344 2.123 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262970413 245276255 /nfs/dbraw/zinc/27/62/55/245276255.db2.gz MQRPRHQTTGKMDL-HSMVNMDESA-N -1 0 347.371 2.109 20 5 EEBDRM O=C(/C=C\C1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000491947844 246226413 /nfs/dbraw/zinc/22/64/13/246226413.db2.gz GITQAMXQDOWJNB-SREVYHEPSA-N -1 0 330.749 2.019 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000181892111 255928847 /nfs/dbraw/zinc/92/88/47/255928847.db2.gz DEBROUIXDMIYGD-VIFPVBQESA-N -1 0 341.323 2.286 20 5 EEBDRM CCOC(=O)CC1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000273277080 256283392 /nfs/dbraw/zinc/28/33/92/256283392.db2.gz HWIHCJAHSZQNOR-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM COC(=O)N(C)CCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000273592421 256309896 /nfs/dbraw/zinc/30/98/96/256309896.db2.gz LWMNVLWUHHOWEK-UHFFFAOYSA-N -1 0 345.739 2.371 20 5 EEBDRM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000273604836 256311102 /nfs/dbraw/zinc/31/11/02/256311102.db2.gz SEACIHLMIUPTDV-GHMZBOCLSA-N -1 0 346.380 2.217 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000160195835 533479887 /nfs/dbraw/zinc/47/98/87/533479887.db2.gz ZBHWARJCYHZYMM-SECBINFHSA-N -1 0 340.332 2.479 20 5 EEBDRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000191807640 152274600 /nfs/dbraw/zinc/27/46/00/152274600.db2.gz JVPHVHZMAIJSDK-UHFFFAOYSA-N -1 0 340.386 2.433 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000262900344 152337039 /nfs/dbraw/zinc/33/70/39/152337039.db2.gz CUILCKRHTWNLQK-MRXNPFEDSA-N -1 0 336.344 2.320 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2)c2ncccc12 ZINC000185612297 160042707 /nfs/dbraw/zinc/04/27/07/160042707.db2.gz WTMHOBUGDQGTME-UHFFFAOYSA-N -1 0 330.325 2.339 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cn2)c2ncccc12 ZINC000185615309 160042990 /nfs/dbraw/zinc/04/29/90/160042990.db2.gz WSBHHKHATOFERC-UHFFFAOYSA-N -1 0 348.315 2.478 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)s[n-]1 ZINC000338926945 160812677 /nfs/dbraw/zinc/81/26/77/160812677.db2.gz FMSCZXDRAHSHJL-ZETCQYMHSA-N -1 0 347.356 2.309 20 5 EEBDRM CCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000355454563 163196109 /nfs/dbraw/zinc/19/61/09/163196109.db2.gz JNHYULRZDQIYMD-UHFFFAOYSA-N -1 0 330.362 2.020 20 5 EEBDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)o1 ZINC000360856076 164391043 /nfs/dbraw/zinc/39/10/43/164391043.db2.gz GHDJLESIGYRFFH-UHFFFAOYSA-N -1 0 340.313 2.165 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)ccc1[N+](=O)[O-] ZINC000361770963 164500076 /nfs/dbraw/zinc/50/00/76/164500076.db2.gz HOVHXBKNHXVTCQ-UHFFFAOYSA-N -1 0 332.288 2.296 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCOc2c(F)cccc2C1 ZINC000375920677 167226514 /nfs/dbraw/zinc/22/65/14/167226514.db2.gz SFQOJGRSKZHTCY-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000247413977 292626134 /nfs/dbraw/zinc/62/61/34/292626134.db2.gz JROBJSWENQWIQD-JQLIAFOBSA-N -1 0 340.401 2.110 20 5 EEBDRM CCCOc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000272561836 268992346 /nfs/dbraw/zinc/99/23/46/268992346.db2.gz QTRCGBRMCAAFMZ-UHFFFAOYSA-N -1 0 331.328 2.414 20 5 EEBDRM O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272643063 269003050 /nfs/dbraw/zinc/00/30/50/269003050.db2.gz XXMPQWBJWLNKJA-CQSZACIVSA-N -1 0 329.312 2.208 20 5 EEBDRM COC(=O)C1(N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000274822040 269058551 /nfs/dbraw/zinc/05/85/51/269058551.db2.gz QHXLWTCRJIIGMU-UHFFFAOYSA-N -1 0 336.344 2.248 20 5 EEBDRM CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274958307 269079100 /nfs/dbraw/zinc/07/91/00/269079100.db2.gz BEXAKJASDGFLKH-NOZJJQNGSA-N -1 0 344.389 2.023 20 5 EEBDRM Cc1c(NC(=O)CCC(=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000280439538 269362654 /nfs/dbraw/zinc/36/26/54/269362654.db2.gz UAIYYXKPCGQEGS-UHFFFAOYSA-N -1 0 331.122 2.469 20 5 EEBDRM CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000181815055 274008551 /nfs/dbraw/zinc/00/85/51/274008551.db2.gz OZUGMZFGGAIRET-BQYQJAHWSA-N -1 0 330.337 2.141 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000355475012 301012515 /nfs/dbraw/zinc/01/25/15/301012515.db2.gz SUJMGPFQXLNFBF-SECBINFHSA-N -1 0 342.373 2.165 20 5 EEBDRM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000152154262 303917490 /nfs/dbraw/zinc/91/74/90/303917490.db2.gz YPUKSBKRLZGTRF-GLQYFDAESA-N -1 0 332.356 2.378 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)n1 ZINC000160663027 311357388 /nfs/dbraw/zinc/35/73/88/311357388.db2.gz LRJFOUAPSFRZOI-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C(NC1(CO)C2CC3CC(C2)CC1C3)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000413948789 312941420 /nfs/dbraw/zinc/94/14/20/312941420.db2.gz DJWRORUJEFFDAK-UHFFFAOYSA-N -1 0 346.383 2.217 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000414380613 313006949 /nfs/dbraw/zinc/00/69/49/313006949.db2.gz GSKXPACCNPMFDJ-UHFFFAOYSA-N -1 0 339.329 2.270 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000416440329 313224114 /nfs/dbraw/zinc/22/41/14/313224114.db2.gz CWGVGGLVQXOJTL-BXUZGUMPSA-N -1 0 335.360 2.025 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421140800 314050949 /nfs/dbraw/zinc/05/09/49/314050949.db2.gz NTFKBKXYTSDFBR-GFCCVEGCSA-N -1 0 346.405 2.406 20 5 EEBDRM O=C(Nc1cccc(N2CCC2=O)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436808694 315000827 /nfs/dbraw/zinc/00/08/27/315000827.db2.gz QBBIBXKBURVSQU-UHFFFAOYSA-N -1 0 327.296 2.289 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCOc2ccc(F)cc2C1 ZINC000436834102 315003849 /nfs/dbraw/zinc/00/38/49/315003849.db2.gz YEXCUJOMIXDBAV-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436892026 315010020 /nfs/dbraw/zinc/01/00/20/315010020.db2.gz JZRYHXHQEWRKGU-LRDDRELGSA-N -1 0 336.344 2.152 20 5 EEBDRM COC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCCCC1 ZINC000436948903 315015492 /nfs/dbraw/zinc/01/54/92/315015492.db2.gz ILNRIVBZMAFIAO-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM O=C(NCc1ccn(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966610 315017554 /nfs/dbraw/zinc/01/75/54/315017554.db2.gz NVTSEBMNKVDAHP-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C\C2CCCC2)ccc1[N+](=O)[O-] ZINC000493189793 315907121 /nfs/dbraw/zinc/90/71/21/315907121.db2.gz RCPSSGPPLNOFLH-TWGQIWQCSA-N -1 0 338.385 2.455 20 5 EEBDRM C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000515383726 316488620 /nfs/dbraw/zinc/48/86/20/316488620.db2.gz UQPIBSQUYIKNLD-FZMZJTMJSA-N -1 0 334.372 2.442 20 5 EEBDRM COc1cc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC000515845754 316521186 /nfs/dbraw/zinc/52/11/86/316521186.db2.gz ROCCCIZEMMFPKY-BXKDBHETSA-N -1 0 336.344 2.095 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2cnc(C3CC3)nc2)n1 ZINC000518985130 316755894 /nfs/dbraw/zinc/75/58/94/316755894.db2.gz OCUPVRCDVGYNOH-UHFFFAOYSA-N -1 0 329.316 2.010 20 5 EEBDRM CNc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000539603376 318057558 /nfs/dbraw/zinc/05/75/58/318057558.db2.gz BVUCPEIKRNBSKK-CYBMUJFWSA-N -1 0 343.339 2.235 20 5 EEBDRM CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000545558658 318222852 /nfs/dbraw/zinc/22/28/52/318222852.db2.gz VVJUZXKCJRZTGD-MWLCHTKSSA-N -1 0 342.373 2.102 20 5 EEBDRM Cc1cc(NC[C@@H](O)COCC(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566294093 319271058 /nfs/dbraw/zinc/27/10/58/319271058.db2.gz RPJSCOSIBBMMTP-LLVKDONJSA-N -1 0 326.349 2.047 20 5 EEBDRM O=C([O-])c1cnoc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000566361275 319278716 /nfs/dbraw/zinc/27/87/16/319278716.db2.gz GGAVYBRAQKVCEH-UHFFFAOYSA-N -1 0 347.327 2.324 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000567902645 319433100 /nfs/dbraw/zinc/43/31/00/319433100.db2.gz UUPOILYSEXTQFL-GOSISDBHSA-N -1 0 342.351 2.433 20 5 EEBDRM C[C@]1(CO)CCC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000569974260 319625411 /nfs/dbraw/zinc/62/54/11/319625411.db2.gz FCENIHSIYLNXNI-BXUZGUMPSA-N -1 0 328.752 2.235 20 5 EEBDRM Cc1cc(N2CCC[C@@H](Cn3cncn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570847218 319704085 /nfs/dbraw/zinc/70/40/85/319704085.db2.gz FTTPDQYPLKPWFW-GFCCVEGCSA-N -1 0 345.359 2.110 20 5 EEBDRM C[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000573255105 319918009 /nfs/dbraw/zinc/91/80/09/319918009.db2.gz LFOQPAWPGBMFDK-UWVGGRQHSA-N -1 0 342.373 2.150 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000574163216 320001811 /nfs/dbraw/zinc/00/18/11/320001811.db2.gz ZTHWOADYTNWDND-LLVKDONJSA-N -1 0 331.332 2.034 20 5 EEBDRM CCCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H](CC)C(=O)[O-] ZINC000575978222 320130219 /nfs/dbraw/zinc/13/02/19/320130219.db2.gz VLEALSOFJRUSGQ-CYBMUJFWSA-N -1 0 337.376 2.422 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1N1CCC(n2cnc(C(=O)[O-])c2N)CC1 ZINC000581432059 324253310 /nfs/dbraw/zinc/25/33/10/324253310.db2.gz IIUCOHRNFJCDSO-UHFFFAOYSA-N -1 0 345.359 2.222 20 5 EEBDRM C[C@H](NC(=O)N[C@@H](CC(F)F)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000582983747 324569200 /nfs/dbraw/zinc/56/92/00/324569200.db2.gz CREIFINFHDGHCX-XVKPBYJWSA-N -1 0 331.275 2.063 20 5 EEBDRM CCC(CC)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000336871666 465064315 /nfs/dbraw/zinc/06/43/15/465064315.db2.gz MVUARURNHWQVPC-UHFFFAOYSA-N -1 0 344.389 2.073 20 5 EEBDRM O=C1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1c1cccc(F)c1 ZINC000339097565 465080337 /nfs/dbraw/zinc/08/03/37/465080337.db2.gz YMZMNNHJEPYHGX-UHFFFAOYSA-N -1 0 345.330 2.288 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnn2c1OCCC2 ZINC000551934775 468276417 /nfs/dbraw/zinc/27/64/17/468276417.db2.gz JHBODHYILGXNQU-UHFFFAOYSA-N -1 0 338.707 2.185 20 5 EEBDRM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000113947128 462618047 /nfs/dbraw/zinc/61/80/47/462618047.db2.gz HYWCDTANYPLBCP-MRVPVSSYSA-N -1 0 343.336 2.378 20 5 EEBDRM Cc1noc(C)c1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000157277138 463115335 /nfs/dbraw/zinc/11/53/35/463115335.db2.gz DVIYWDCMFDGEGL-UHFFFAOYSA-N -1 0 341.345 2.039 20 5 EEBDRM CC(C)(C)n1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000121987461 463228063 /nfs/dbraw/zinc/22/80/63/463228063.db2.gz JZSQILPLCHQGKQ-UHFFFAOYSA-N -1 0 342.352 2.486 20 5 EEBDRM O=C(NCc1ccnc(N2CCCC2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029558443 463261945 /nfs/dbraw/zinc/26/19/45/463261945.db2.gz YWMCHIQEUTWSNB-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000055546910 463330819 /nfs/dbraw/zinc/33/08/19/463330819.db2.gz OQGHEVURMWGEHA-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cc(C)cc(C)n2)ccc1[N+](=O)[O-] ZINC000162363120 463503688 /nfs/dbraw/zinc/50/36/88/463503688.db2.gz AJXIJTWIJZXCMF-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C(NCCc1nc2ccccc2[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164041420 463614024 /nfs/dbraw/zinc/61/40/24/463614024.db2.gz AMARNWWUHCZQCU-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000152152809 463653939 /nfs/dbraw/zinc/65/39/39/463653939.db2.gz YTBHTLKWMHPGAF-UGFHNGPFSA-N -1 0 332.356 2.378 20 5 EEBDRM CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)OC(C)(C)C ZINC000268402547 463730511 /nfs/dbraw/zinc/73/05/11/463730511.db2.gz JTUPNOQRMFOEOR-ZDUSSCGKSA-N -1 0 338.360 2.397 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000261645222 463814992 /nfs/dbraw/zinc/81/49/92/463814992.db2.gz IYLWRVLSSNUOKK-ZDUSSCGKSA-N -1 0 346.261 2.382 20 5 EEBDRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000277007607 463839995 /nfs/dbraw/zinc/83/99/95/463839995.db2.gz ZFMUXLBOIBITGW-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM O=C([O-])C1CCC(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000194385355 463851347 /nfs/dbraw/zinc/85/13/47/463851347.db2.gz KDNXBEKSCHDZCP-UHFFFAOYSA-N -1 0 335.360 2.014 20 5 EEBDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1C ZINC000185629704 463853568 /nfs/dbraw/zinc/85/35/68/463853568.db2.gz RKBLOIILAOYJPS-UHFFFAOYSA-N -1 0 347.356 2.284 20 5 EEBDRM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000185708715 463865773 /nfs/dbraw/zinc/86/57/73/463865773.db2.gz LYDQXSWQNODTCY-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000185714321 463866330 /nfs/dbraw/zinc/86/63/30/463866330.db2.gz UJQJWMXKGKRKRB-UHFFFAOYSA-N -1 0 346.261 2.284 20 5 EEBDRM COC[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000262406432 464020299 /nfs/dbraw/zinc/02/02/99/464020299.db2.gz NFFKHGWIQPBXBI-CYBMUJFWSA-N -1 0 348.311 2.312 20 5 EEBDRM O=C([O-])[C@H]1CC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263571682 464131793 /nfs/dbraw/zinc/13/17/93/464131793.db2.gz JRWAJPRVBFRAJQ-CABCVRRESA-N -1 0 348.355 2.075 20 5 EEBDRM CC(C)CN(CCC(=O)[O-])C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000236707354 464220483 /nfs/dbraw/zinc/22/04/83/464220483.db2.gz REYCSHZHEZTRCK-UHFFFAOYSA-N -1 0 337.376 2.356 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236771950 464223425 /nfs/dbraw/zinc/22/34/25/464223425.db2.gz IMPPQEVYWPYKKV-UHFFFAOYSA-N -1 0 346.343 2.106 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000237028111 464253346 /nfs/dbraw/zinc/25/33/46/464253346.db2.gz NJGAXACFIMUFGU-OTYXRUKQSA-N -1 0 335.360 2.398 20 5 EEBDRM O=C([O-])CCCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237921945 464403883 /nfs/dbraw/zinc/40/38/83/464403883.db2.gz KSPMOTAVHIWOSW-UHFFFAOYSA-N -1 0 335.360 2.180 20 5 EEBDRM O=C(NC1CCN(c2nccs2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000281881382 464620721 /nfs/dbraw/zinc/62/07/21/464620721.db2.gz FGRXXXAVKCGMRF-UHFFFAOYSA-N -1 0 348.384 2.156 20 5 EEBDRM Cc1ncsc1CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000295284286 464774639 /nfs/dbraw/zinc/77/46/39/464774639.db2.gz GBOWHIYFRCVIFU-UHFFFAOYSA-N -1 0 345.377 2.020 20 5 EEBDRM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183352325 464853707 /nfs/dbraw/zinc/85/37/07/464853707.db2.gz BFEKITLALSJRBP-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM C[C@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000593960570 468445240 /nfs/dbraw/zinc/44/52/40/468445240.db2.gz ACQPODIWYCUPPY-ZCFIWIBFSA-N -1 0 346.137 2.200 20 5 EEBDRM CC1(C)Oc2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2O1 ZINC000361911395 466399636 /nfs/dbraw/zinc/39/96/36/466399636.db2.gz KJZQTFXAEJVPNG-UHFFFAOYSA-N -1 0 331.284 2.455 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCCCNc2ccccn2)n1 ZINC000581669262 468497030 /nfs/dbraw/zinc/49/70/30/468497030.db2.gz LEOKRNDIODJUPB-UHFFFAOYSA-N -1 0 345.359 2.696 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000347324265 466566131 /nfs/dbraw/zinc/56/61/31/466566131.db2.gz DUJXGTLFERJSLV-UHFFFAOYSA-N -1 0 331.712 2.005 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000363845649 466635678 /nfs/dbraw/zinc/63/56/78/466635678.db2.gz AVVVFQWEAQHJOD-KRWDZBQOSA-N -1 0 346.314 2.173 20 5 EEBDRM COC(=O)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000436502704 467541516 /nfs/dbraw/zinc/54/15/16/467541516.db2.gz DFFPPCAAIBBHGK-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000436978201 467555105 /nfs/dbraw/zinc/55/51/05/467555105.db2.gz HMHFHCJAVQNLMM-UHFFFAOYSA-N -1 0 338.323 3.047 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)/C=C\C1CCCC1 ZINC000493509844 467927969 /nfs/dbraw/zinc/92/79/69/467927969.db2.gz GHXJUPQQWZJIEW-KTKRTIGZSA-N -1 0 338.385 2.455 20 5 EEBDRM Cn1nc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C1CC1 ZINC000576282166 468162545 /nfs/dbraw/zinc/16/25/45/468162545.db2.gz WPRSQIMNRWQEIF-UHFFFAOYSA-N -1 0 336.735 2.817 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCCc2ncccc2C)n1 ZINC000582549085 468556324 /nfs/dbraw/zinc/55/63/24/468556324.db2.gz KUHRWPVGOMQERM-UHFFFAOYSA-N -1 0 330.344 2.745 20 5 EEBDRM C[C@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594541721 468617767 /nfs/dbraw/zinc/61/77/67/468617767.db2.gz YBOQXWXTSDVCAJ-INTQDDNPSA-N -1 0 332.360 2.440 20 5 EEBDRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594597565 468630885 /nfs/dbraw/zinc/63/08/85/468630885.db2.gz OBVNMOJSMHMNPL-KGLIPLIRSA-N -1 0 336.344 2.371 20 5 EEBDRM C[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583088025 468641601 /nfs/dbraw/zinc/64/16/01/468641601.db2.gz QTPZRRYKZQIDHG-NXEZZACHSA-N -1 0 342.373 2.008 20 5 EEBDRM C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000570847318 468702850 /nfs/dbraw/zinc/70/28/50/468702850.db2.gz GMNCSAFKUGVUGH-BZNIZROVSA-N -1 0 336.344 2.067 20 5 EEBDRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595280607 468799320 /nfs/dbraw/zinc/79/93/20/468799320.db2.gz PMIAZWJBXUWGSY-CBAPKCEASA-N -1 0 349.265 2.234 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@H](c3ccccc3F)C2)n1 ZINC000592972054 468832112 /nfs/dbraw/zinc/83/21/12/468832112.db2.gz PVSQWRQDPMLYNF-AWEZNQCLSA-N -1 0 347.302 2.405 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1CO ZINC000598780152 469002325 /nfs/dbraw/zinc/00/23/25/469002325.db2.gz GWIKEUMYSMSJMC-IUCAKERBSA-N -1 0 328.752 2.044 20 5 EEBDRM CCOC(=O)c1cc(N2C[C@H](C(=O)[O-])CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000595973243 469103475 /nfs/dbraw/zinc/10/34/75/469103475.db2.gz IKNXTEXOAUQPEE-GHMZBOCLSA-N -1 0 336.344 2.461 20 5 EEBDRM Cc1nn(C)c(C)c1-c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000601942215 469104360 /nfs/dbraw/zinc/10/43/60/469104360.db2.gz IDOIBNCBUDANJY-UHFFFAOYSA-N -1 0 331.307 2.225 20 5 EEBDRM Cc1noc(C)c1C[C@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563203811 469197416 /nfs/dbraw/zinc/19/74/16/469197416.db2.gz IEJYOAAWDVWJMM-ZETCQYMHSA-N -1 0 334.332 2.644 20 5 EEBDRM O=C([O-])C1(CNc2ncnc3cccc([N+](=O)[O-])c32)CCCCC1 ZINC000565039440 469265680 /nfs/dbraw/zinc/26/56/80/469265680.db2.gz ASGUEUFZDCMKTK-UHFFFAOYSA-N -1 0 330.344 2.985 20 5 EEBDRM C[C@H](c1ccccc1)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000611508398 469267238 /nfs/dbraw/zinc/26/72/38/469267238.db2.gz DGCHVYRLDPBVLJ-RISCZKNCSA-N -1 0 330.340 2.195 20 5 EEBDRM CCc1noc(CC)c1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565308541 469271613 /nfs/dbraw/zinc/27/16/13/469271613.db2.gz XISLQPNKCXDVHG-UHFFFAOYSA-N -1 0 334.332 2.721 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1c(F)cccc1F ZINC000610261564 469995815 /nfs/dbraw/zinc/99/58/15/469995815.db2.gz HJGZDIHNTJOIAU-QMMMGPOBSA-N -1 0 343.311 2.308 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000136489097 534533846 /nfs/dbraw/zinc/53/38/46/534533846.db2.gz RCBMITKFHNWRNF-CQSZACIVSA-N -1 0 335.360 2.253 20 5 EEBDRM Cc1oc(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1C(=O)[O-] ZINC000190885949 534544726 /nfs/dbraw/zinc/54/47/26/534544726.db2.gz LYXMKMIZZWXJJU-UHFFFAOYSA-N -1 0 333.300 2.170 20 5 EEBDRM C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCCCCC(=O)[O-])C1=O ZINC000737734688 576168180 /nfs/dbraw/zinc/16/81/80/576168180.db2.gz LPINLEMDGRTZMD-MRXNPFEDSA-N -1 0 349.343 2.007 20 5 EEBDRM CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000773941606 577374351 /nfs/dbraw/zinc/37/43/51/577374351.db2.gz QMIUGUCTCWRGFP-CYBMUJFWSA-N -1 0 340.401 2.367 20 5 EEBDRM Cc1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000774883061 577422124 /nfs/dbraw/zinc/42/21/24/577422124.db2.gz LAZSNMGIUPZXFI-UHFFFAOYSA-N -1 0 334.250 2.129 20 5 EEBDRM O=C([O-])c1cccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000776209483 577454667 /nfs/dbraw/zinc/45/46/67/577454667.db2.gz WBGMXAKDXCIXRC-UHFFFAOYSA-N -1 0 345.267 2.131 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000776522302 577461366 /nfs/dbraw/zinc/46/13/66/577461366.db2.gz JFHJZRPWWFZLER-KOLCDFICSA-N -1 0 326.374 2.144 20 5 EEBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H](C(=O)[O-])c1ccccc1 ZINC000767020092 577529005 /nfs/dbraw/zinc/52/90/05/577529005.db2.gz VUAAGOHJKQKWMS-AWEZNQCLSA-N -1 0 329.312 2.075 20 5 EEBDRM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000763223686 577717156 /nfs/dbraw/zinc/71/71/56/577717156.db2.gz FHQBDJKEDOXDNR-OASPWFOLSA-N -1 0 340.426 2.410 20 5 EEBDRM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000763223683 577717176 /nfs/dbraw/zinc/71/71/76/577717176.db2.gz FHQBDJKEDOXDNR-ICCXJUOJSA-N -1 0 340.426 2.410 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000755777743 577831043 /nfs/dbraw/zinc/83/10/43/577831043.db2.gz HDUFXOAZXGTPBF-JTQLQIEISA-N -1 0 344.389 2.099 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@H]2COc3ccccc3C2)c1[N+](=O)[O-] ZINC000738691690 578023898 /nfs/dbraw/zinc/02/38/98/578023898.db2.gz BPZXZTSDDJWJAH-JTQLQIEISA-N -1 0 329.312 2.351 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000738746235 578025529 /nfs/dbraw/zinc/02/55/29/578025529.db2.gz GMROPIMJRLKHRY-MRXNPFEDSA-N -1 0 343.339 2.257 20 5 EEBDRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738908816 578030648 /nfs/dbraw/zinc/03/06/48/578030648.db2.gz NGJWLCOEOQCFDF-MRVPVSSYSA-N -1 0 346.343 2.386 20 5 EEBDRM NC(=O)C1CCC(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000739153619 578041098 /nfs/dbraw/zinc/04/10/98/578041098.db2.gz PSGZTGUYGPZEHF-KRXBUXKQSA-N -1 0 333.344 2.149 20 5 EEBDRM CC(C)(C)C[C@H](O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736250110 578190166 /nfs/dbraw/zinc/19/01/66/578190166.db2.gz CSDWTSCSQVGFBH-VIFPVBQESA-N -1 0 341.320 2.410 20 5 EEBDRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000736374948 578199496 /nfs/dbraw/zinc/19/94/96/578199496.db2.gz MJOUTGUNLDGLDZ-ZDUSSCGKSA-N -1 0 347.331 2.216 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000736464596 578205857 /nfs/dbraw/zinc/20/58/57/578205857.db2.gz LFKVODLYYJROGQ-UHFFFAOYSA-N -1 0 326.374 2.399 20 5 EEBDRM O=C([O-])CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000255190765 597121514 /nfs/dbraw/zinc/12/15/14/597121514.db2.gz ZHMBRRXCHXSQBG-UHFFFAOYSA-N -1 0 329.312 2.021 20 5 EEBDRM C[C@@H](CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1)C(=O)[O-] ZINC000262198475 599929841 /nfs/dbraw/zinc/92/98/41/599929841.db2.gz OIGZBSWDHICOIQ-VIFPVBQESA-N -1 0 331.328 2.401 20 5 EEBDRM CCCCC[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000829347138 601383022 /nfs/dbraw/zinc/38/30/22/601383022.db2.gz HBPYLPYLYXKFGX-GFCCVEGCSA-N -1 0 344.389 2.444 20 5 EEBDRM CCCCC[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000829326776 601648572 /nfs/dbraw/zinc/64/85/72/601648572.db2.gz RBHLEFHHFVTIEK-ZDUSSCGKSA-N -1 0 348.359 2.094 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)COc2ccccc2[N+](=O)[O-])s1 ZINC000833114484 601997329 /nfs/dbraw/zinc/99/73/29/601997329.db2.gz DOIDYLQJQNPWOW-UHFFFAOYSA-N -1 0 337.309 2.477 20 5 EEBDRM Cc1cc(N2CC(=O)N(C(C)C)C(C)(C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889991 602320141 /nfs/dbraw/zinc/32/01/41/602320141.db2.gz YPRDPXOTPNSTDU-UHFFFAOYSA-N -1 0 349.387 2.437 20 5 EEBDRM C[C@H](CC(=O)c1ccco1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827396402 602388560 /nfs/dbraw/zinc/38/85/60/602388560.db2.gz DOHRZNMLXLLKIM-SECBINFHSA-N -1 0 346.295 2.277 20 5 EEBDRM CC(C)(C)Oc1cccc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)n1 ZINC000833446875 604531856 /nfs/dbraw/zinc/53/18/56/604531856.db2.gz IWZWWYQROAOEFP-UHFFFAOYSA-N -1 0 347.327 2.075 20 5 EEBDRM CCC(CC)n1ccc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)n1 ZINC000828874328 604799752 /nfs/dbraw/zinc/79/97/52/604799752.db2.gz DCIRRGZTRKVLMC-UHFFFAOYSA-N -1 0 334.332 2.061 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000833503410 605021801 /nfs/dbraw/zinc/02/18/01/605021801.db2.gz BAUYBSFEVYYVEO-CYBMUJFWSA-N -1 0 349.343 2.026 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000820004131 605502741 /nfs/dbraw/zinc/50/27/41/605502741.db2.gz ZESKLPIIBQKDOX-UHFFFAOYSA-N -1 0 332.259 2.131 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CC(c2ccccc2)=NO1 ZINC000180774567 682077439 /nfs/dbraw/zinc/07/74/39/682077439.db2.gz ORUSVHREZQHHDQ-HNNXBMFYSA-N -1 0 327.296 2.432 20 5 EEBDRM C[C@H](CN(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000263176131 689433133 /nfs/dbraw/zinc/43/31/33/689433133.db2.gz DRCALRBNUBTWPX-GFCCVEGCSA-N -1 0 337.376 2.280 20 5 EEBDRM CCCS(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000123276098 1200817097 /nfs/dbraw/zinc/81/70/97/1200817097.db2.gz QQWWYILTLJWLCI-UHFFFAOYSA-N -1 0 328.390 2.362 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccs1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000130917866 1202006554 /nfs/dbraw/zinc/00/65/54/1202006554.db2.gz MDVWDPKJSBMRSO-UHFFFAOYSA-N -1 0 346.773 2.428 20 5 EEBDRM COc1cc(O)cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000779845502 1211600528 /nfs/dbraw/zinc/60/05/28/1211600528.db2.gz FJXPWSRQJPTGPU-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119390995 1229502362 /nfs/dbraw/zinc/50/23/62/1229502362.db2.gz JDYGTMNTPJRIMM-UHFFFAOYSA-N -1 0 343.255 2.337 20 5 EEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000119964481 1229638221 /nfs/dbraw/zinc/63/82/21/1229638221.db2.gz BGDWZYRDMWFJKK-UHFFFAOYSA-N -1 0 346.773 2.428 20 5 EEBDRM O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-])OC1CCCCC1 ZINC000801554040 1235828487 /nfs/dbraw/zinc/82/84/87/1235828487.db2.gz ORXRZGRLGYFFCB-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886532 1277380592 /nfs/dbraw/zinc/38/05/92/1277380592.db2.gz YHSUKUVFGWZKCK-MWLCHTKSSA-N -1 0 344.364 2.365 20 5 EEBDRM COc1ccncc1-c1noc(-c2cc(OC)c([O-])c([N+](=O)[O-])c2)n1 ZINC001216837454 1297310549 /nfs/dbraw/zinc/31/05/49/1297310549.db2.gz XSOSYBMZSXMIMH-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM CCCCOC[C@H](C)OC[C@@H](C)Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226335679 1301363321 /nfs/dbraw/zinc/36/33/21/1301363321.db2.gz KMGFPNHQSRUPPC-WDEREUQCSA-N -1 0 329.353 2.080 20 5 EEBDRM CC[C@@H](C)CC[C@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226650015 1301493785 /nfs/dbraw/zinc/49/37/85/1301493785.db2.gz NEQOQLFHWJAOOC-BDAKNGLRSA-N -1 0 327.337 2.471 20 5 EEBDRM CC[C@H](C[C@@H](C)CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226653058 1301495899 /nfs/dbraw/zinc/49/58/99/1301495899.db2.gz QJWPYNNDOTWUFH-DTWKUNHWSA-N -1 0 327.337 2.471 20 5 EEBDRM CCOC(=O)[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227097036 1301686292 /nfs/dbraw/zinc/68/62/92/1301686292.db2.gz WKFSJTSIHOXUIG-GWCFXTLKSA-N -1 0 347.327 2.354 20 5 EEBDRM CCOC(=O)C[C@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001228970594 1302552555 /nfs/dbraw/zinc/55/25/55/1302552555.db2.gz IKWUQQLRWNAVNX-VIFPVBQESA-N -1 0 339.222 2.269 20 5 EEBDRM O=C(N[C@H](CCO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000799812238 1305449841 /nfs/dbraw/zinc/44/98/41/1305449841.db2.gz ZSLCBFRUYRDXSY-CYBMUJFWSA-N -1 0 330.340 2.024 20 5 EEBDRM CC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000835027893 1314894545 /nfs/dbraw/zinc/89/45/45/1314894545.db2.gz HBMRUBAFNUSFGW-GHMZBOCLSA-N -1 0 326.374 2.226 20 5 EEBDRM O=C([O-])c1ccc(NC[C@@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC001163814887 1321223217 /nfs/dbraw/zinc/22/32/17/1321223217.db2.gz QEHLHHZRPQGQHL-GFCCVEGCSA-N -1 0 332.312 2.145 20 5 EEBDRM COc1cc(S(C)(=O)=O)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210398063 1325265238 /nfs/dbraw/zinc/26/52/38/1325265238.db2.gz OQXDGYCIBKTEIG-UHFFFAOYSA-N -1 0 338.341 2.456 20 5 EEBDRM CN(Cc1nc(=O)o[n-]1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001307150805 1328487083 /nfs/dbraw/zinc/48/70/83/1328487083.db2.gz NAJHHDRKSJQOFH-UHFFFAOYSA-N -1 0 345.290 2.109 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001608492202 1351703330 /nfs/dbraw/zinc/70/33/30/1351703330.db2.gz VCOKCJQORUDZCO-MNOVXSKESA-N -1 0 347.352 2.311 20 5 EEBDRM O=C([O-])c1c[nH]c(=O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001602234639 1350472338 /nfs/dbraw/zinc/47/23/38/1350472338.db2.gz OHMNEVTVOYYBOT-UHFFFAOYSA-N -1 0 337.675 2.299 20 5 EEBDRM O=C([O-])[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[C@H]1CCOC1 ZINC001608543381 1351713047 /nfs/dbraw/zinc/71/30/47/1351713047.db2.gz LIZJLAUJJSQOFH-CMPLNLGQSA-N -1 0 331.328 2.292 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1Cl ZINC001607709288 1351543893 /nfs/dbraw/zinc/54/38/93/1351543893.db2.gz XBPRVSSITDFRST-ZDUSSCGKSA-N -1 0 330.699 2.195 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001608354272 1351677480 /nfs/dbraw/zinc/67/74/80/1351677480.db2.gz IMASNZFUERGBQZ-VXNVDRBHSA-N -1 0 344.776 2.177 20 5 EEBDRM O=C([O-])[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001608397153 1351686533 /nfs/dbraw/zinc/68/65/33/1351686533.db2.gz HEWSPVAPRHXQNQ-LLVKDONJSA-N -1 0 344.279 2.360 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)CC2 ZINC001608609399 1351725401 /nfs/dbraw/zinc/72/54/01/1351725401.db2.gz YXXQVLFDNCIPOE-LLVKDONJSA-N -1 0 343.339 2.403 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCCOc2ncccn2)c([N+](=O)[O-])c1 ZINC001608661429 1351736561 /nfs/dbraw/zinc/73/65/61/1351736561.db2.gz VYWZNUOCEUPCGX-XQRVVYSFSA-N -1 0 344.327 2.364 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@H]2CCN(C3CCC3)C2=O)c([N+](=O)[O-])c1 ZINC001608661546 1351736820 /nfs/dbraw/zinc/73/68/20/1351736820.db2.gz ZQVXPGKTRXCIAU-DYLGSBMWSA-N -1 0 345.355 2.258 20 5 EEBDRM O=C([O-])CC1CC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001608691105 1351742226 /nfs/dbraw/zinc/74/22/26/1351742226.db2.gz UCSPRNWQZUFCSY-UHFFFAOYSA-N -1 0 326.736 2.160 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@@]3(CC3(F)F)C2)cc([N+](=O)[O-])c1 ZINC001608835686 1351774871 /nfs/dbraw/zinc/77/48/71/1351774871.db2.gz RSLNRNQKYGKHAL-CYBMUJFWSA-N -1 0 326.255 2.164 20 5 EEBDRM O=C([O-])c1cc(C(=O)OC[C@H](F)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001608838501 1351775726 /nfs/dbraw/zinc/77/57/26/1351775726.db2.gz JPCMMKQAVNPULI-QMMMGPOBSA-N -1 0 325.170 2.350 20 5 EEBDRM O=C([O-])c1cc2cccnc2c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC001608856354 1351779773 /nfs/dbraw/zinc/77/97/73/1351779773.db2.gz WDYKMSLQHUXHDJ-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC001608905730 1351790805 /nfs/dbraw/zinc/79/08/05/1351790805.db2.gz OROMLTXWLBHRPW-CQSZACIVSA-N -1 0 345.263 2.038 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H]2CCC3(CCOCC3)O2)c([N+](=O)[O-])c1 ZINC001608907026 1351791403 /nfs/dbraw/zinc/79/14/03/1351791403.db2.gz USCHCTQJUYEGHL-LBPRGKRZSA-N -1 0 337.328 2.400 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)COc1cc([N+](=O)[O-])ccc1Br ZINC001609648677 1352049896 /nfs/dbraw/zinc/04/98/96/1352049896.db2.gz DPNXOPUGOAWRMB-UHFFFAOYSA-N -1 0 346.133 2.416 20 5 EEBDRM C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])c1nncn1C ZINC001609747028 1352075676 /nfs/dbraw/zinc/07/56/76/1352075676.db2.gz UILIZKNKGOUZAK-ZETCQYMHSA-N -1 0 339.739 2.291 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001609774649 1352082420 /nfs/dbraw/zinc/08/24/20/1352082420.db2.gz VEJDUMRQQNUSBO-SECBINFHSA-N -1 0 333.300 2.003 20 5 EEBDRM C[C@@H]1COCC[C@H]1CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001609879392 1352110023 /nfs/dbraw/zinc/11/00/23/1352110023.db2.gz XYPHPUDXBLCVPL-BDAKNGLRSA-N -1 0 339.304 2.286 20 5 EEBDRM COc1cc(OC)cc([C@H](Oc2cccnc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001610306939 1352202998 /nfs/dbraw/zinc/20/29/98/1352202998.db2.gz NORCVGSCKBZWDA-ZDUSSCGKSA-N -1 0 334.284 2.212 20 5 EEBDRM Cc1[nH]c(C(=O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)c(C)c1C(=O)[O-] ZINC001610400850 1352216709 /nfs/dbraw/zinc/21/67/09/1352216709.db2.gz WAKDJXNWGOFIBO-UHFFFAOYSA-N -1 0 332.316 2.195 20 5 EEBDRM Cn1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1C(=O)[O-] ZINC001610606088 1352252963 /nfs/dbraw/zinc/25/29/63/1352252963.db2.gz WWKQPYKYPUIUGZ-UHFFFAOYSA-N -1 0 325.227 2.162 20 5 EEBDRM O=C([O-])c1cc(-c2nc(CC3CCOCC3)no2)cc([N+](=O)[O-])c1 ZINC001610807662 1352278248 /nfs/dbraw/zinc/27/82/48/1352278248.db2.gz FDUVQSQIDHVJSS-UHFFFAOYSA-N -1 0 333.300 2.312 20 5 EEBDRM O=C([O-])c1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC001610819317 1352280204 /nfs/dbraw/zinc/28/02/04/1352280204.db2.gz BRSZHKSNAOTCPJ-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001610837766 1352283003 /nfs/dbraw/zinc/28/30/03/1352283003.db2.gz KYCJIWMRDATVCO-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM O=[N+]([O-])c1cn(CCc2c(F)cccc2Cl)nc1-c1nnn[n-]1 ZINC001582804961 1344792897 /nfs/dbraw/zinc/79/28/97/1344792897.db2.gz SZTPUWVUSMTYCH-UHFFFAOYSA-N -1 0 337.702 2.007 20 5 EEBDRM Cc1c(Cc2noc([C@H]3CC[C@@H](C(=O)[O-])O3)n2)cccc1[N+](=O)[O-] ZINC001600012843 1349955417 /nfs/dbraw/zinc/95/54/17/1349955417.db2.gz IDRJXWJFXOBLAM-NEPJUHHUSA-N -1 0 333.300 2.182 20 5 EEBDRM Cc1c(NC(=O)NOCc2cccnc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044733 1349960991 /nfs/dbraw/zinc/96/09/91/1349960991.db2.gz WPJJNVFHHGMIJU-UHFFFAOYSA-N -1 0 346.299 2.250 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2cnn3ccccc23)n1 ZINC001600105934 1349972366 /nfs/dbraw/zinc/97/23/66/1349972366.db2.gz OFARFPYMYURWTE-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001600155995 1349981806 /nfs/dbraw/zinc/98/18/06/1349981806.db2.gz RWWNISOTLBOFEB-UHFFFAOYSA-N -1 0 346.343 2.444 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001600219041 1349995582 /nfs/dbraw/zinc/99/55/82/1349995582.db2.gz MIIVPNIJALSRMP-PSASIEDQSA-N -1 0 326.736 2.492 20 5 EEBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)nc(C)c1C(=O)[O-] ZINC001600275731 1350008685 /nfs/dbraw/zinc/00/86/85/1350008685.db2.gz WDOIYXKNIKMDEP-UHFFFAOYSA-N -1 0 330.300 2.139 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)NCc2nc(C(=O)[O-])co2)cc1Cl ZINC001600302532 1350014912 /nfs/dbraw/zinc/01/49/12/1350014912.db2.gz NTXKWPCYKHUMPU-UHFFFAOYSA-N -1 0 339.691 2.173 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccnc1[N+](=O)[O-] ZINC001600354075 1350027616 /nfs/dbraw/zinc/02/76/16/1350027616.db2.gz JXSYHFKIRZVCLW-SNVBAGLBSA-N -1 0 345.311 2.402 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600368029 1350031509 /nfs/dbraw/zinc/03/15/09/1350031509.db2.gz KBCDSBSDWBVQDN-WCFLWFBJSA-N -1 0 335.360 2.469 20 5 EEBDRM O=C([O-])c1cccc(COC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC001601290241 1350250144 /nfs/dbraw/zinc/25/01/44/1350250144.db2.gz MFCPGNSHOUCQON-UHFFFAOYSA-N -1 0 330.296 2.364 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)CN2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001601320500 1350256499 /nfs/dbraw/zinc/25/64/99/1350256499.db2.gz ZFKORQYHHFJLIK-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC001601342487 1350262051 /nfs/dbraw/zinc/26/20/51/1350262051.db2.gz BUEPAQNMYBINHY-HNNXBMFYSA-N -1 0 349.270 2.482 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001601342569 1350262067 /nfs/dbraw/zinc/26/20/67/1350262067.db2.gz IMJCWTDKHPIELB-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H](O)CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001601770024 1350360013 /nfs/dbraw/zinc/36/00/13/1350360013.db2.gz SIRIQBMKNPDEQU-RNFRBKRXSA-N -1 0 335.143 2.173 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC001601807529 1350368963 /nfs/dbraw/zinc/36/89/63/1350368963.db2.gz HPAYMRCQFLZEIY-DGCLKSJQSA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1CC1 ZINC001601903615 1350393906 /nfs/dbraw/zinc/39/39/06/1350393906.db2.gz FPDZAKVMHFGYGZ-SECBINFHSA-N -1 0 330.699 2.370 20 5 EEBDRM O=C([O-])C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CCCOC1 ZINC001601931460 1350400036 /nfs/dbraw/zinc/40/00/36/1350400036.db2.gz MYYFKJYTVJUOQC-CQSZACIVSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CCCOC1 ZINC001601931456 1350400079 /nfs/dbraw/zinc/40/00/79/1350400079.db2.gz MYYFKJYTVJUOQC-AWEZNQCLSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])CCCCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601985157 1350411096 /nfs/dbraw/zinc/41/10/96/1350411096.db2.gz FDYVHSQNVICAMW-UHFFFAOYSA-N -1 0 330.287 2.177 20 5 EEBDRM O=C([O-])CCc1nc(COc2cccc(Cl)c2[N+](=O)[O-])no1 ZINC001602046652 1350426158 /nfs/dbraw/zinc/42/61/58/1350426158.db2.gz JHCCBXHTJICFQO-UHFFFAOYSA-N -1 0 327.680 2.227 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC001602132827 1350446431 /nfs/dbraw/zinc/44/64/31/1350446431.db2.gz QECVIFIDKDGGOD-UHFFFAOYSA-N -1 0 328.324 2.194 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C[C@H]1C1CC1 ZINC001602186381 1350460651 /nfs/dbraw/zinc/46/06/51/1350460651.db2.gz IKQDDDYCHVVVNO-VHSXEESVSA-N -1 0 340.282 2.056 20 5 EEBDRM O=C([O-])[C@]12CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1COCC2 ZINC001602208155 1350465906 /nfs/dbraw/zinc/46/59/06/1350465906.db2.gz BFOVGLAWWPKMRN-LKFCYVNXSA-N -1 0 326.736 2.176 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC001602245566 1350475623 /nfs/dbraw/zinc/47/56/23/1350475623.db2.gz XGCOZUQOSKBWNA-ZDUSSCGKSA-N -1 0 349.324 2.169 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CNc2ccn(C3CCOCC3)n2)c1 ZINC001602403444 1350511357 /nfs/dbraw/zinc/51/13/57/1350511357.db2.gz GUXGMBQLMSPILH-UHFFFAOYSA-N -1 0 346.343 2.453 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001602403919 1350511364 /nfs/dbraw/zinc/51/13/64/1350511364.db2.gz UWMRGCBGTFCGLG-UHFFFAOYSA-N -1 0 341.323 2.099 20 5 EEBDRM O=C([O-])c1cccc(Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)n1 ZINC001602442988 1350520638 /nfs/dbraw/zinc/52/06/38/1350520638.db2.gz BPIVLOKVOJANOJ-UHFFFAOYSA-N -1 0 343.274 2.134 20 5 EEBDRM O=C([O-])c1ccccc1S(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC001602476883 1350528351 /nfs/dbraw/zinc/52/83/51/1350528351.db2.gz ZKHMWNYRUOHWAN-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001603100999 1350639840 /nfs/dbraw/zinc/63/98/40/1350639840.db2.gz GEQVUFFBEDQUPU-UHFFFAOYSA-N -1 0 345.311 2.395 20 5 EEBDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001603832038 1350778895 /nfs/dbraw/zinc/77/88/95/1350778895.db2.gz UYYUQGLRIDZVDM-ZDUSSCGKSA-N -1 0 344.314 2.373 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604313016 1350913360 /nfs/dbraw/zinc/91/33/60/1350913360.db2.gz DLRMGSOUNKDJGX-WDEREUQCSA-N -1 0 335.360 2.177 20 5 EEBDRM C[C@@](NCc1nc(C2CCC2)no1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604349341 1350921563 /nfs/dbraw/zinc/92/15/63/1350921563.db2.gz NNGRWYSZDVSTNX-INIZCTEOSA-N -1 0 346.343 2.335 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC001604986644 1351046302 /nfs/dbraw/zinc/04/63/02/1351046302.db2.gz YEMDIFBOEAICQQ-UHFFFAOYSA-N -1 0 341.291 2.351 20 5 EEBDRM CC[C@H]1[C@@H](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001605150665 1351088979 /nfs/dbraw/zinc/08/89/79/1351088979.db2.gz DQKHFUZYDYPBLK-CABZTGNLSA-N -1 0 342.373 2.102 20 5 EEBDRM CCOC(=O)CC(=O)CSCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605530181 1351181644 /nfs/dbraw/zinc/18/16/44/1351181644.db2.gz AEBTZIVDRQKKEC-UHFFFAOYSA-N -1 0 341.341 2.049 20 5 EEBDRM COC(=O)c1ccnc(NCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001606622393 1351333320 /nfs/dbraw/zinc/33/33/20/1351333320.db2.gz VAQZJNXJRKXHLU-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM CO[C@@H]1CN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)[C@@](C)(C(=O)[O-])C1 ZINC001606761117 1351353293 /nfs/dbraw/zinc/35/32/93/1351353293.db2.gz QOTPIBHKEPACHA-FVXSSJTDSA-N -1 0 348.355 2.089 20 5 EEBDRM COc1cc([C@H]2NC(=O)N(C3CC3)C(C)=C2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607150886 1351438680 /nfs/dbraw/zinc/43/86/80/1351438680.db2.gz PNKVSHORBCLPNX-CQSZACIVSA-N -1 0 347.327 2.191 20 5 EEBDRM C[C@@H](NC(=O)CCc1ocnc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001607421564 1351492197 /nfs/dbraw/zinc/49/21/97/1351492197.db2.gz NRSGDRNWJYBNIE-SECBINFHSA-N -1 0 333.300 2.091 20 5 EEBDRM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)CCc1ocnc1C(=O)[O-] ZINC001607555162 1351515250 /nfs/dbraw/zinc/51/52/50/1351515250.db2.gz NBWQTHJSBXPKNO-UHFFFAOYSA-N -1 0 337.263 2.300 20 5 EEBDRM Cc1cc(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc([N+](=O)[O-])c1 ZINC001607577807 1351518657 /nfs/dbraw/zinc/51/86/57/1351518657.db2.gz WCZQFXQMWUAGNB-GFCCVEGCSA-N -1 0 344.327 2.063 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC001607654985 1351533899 /nfs/dbraw/zinc/53/38/99/1351533899.db2.gz LLHNTCSQQDJHTA-SREGZZRCSA-N -1 0 338.747 2.396 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001608274416 1351661295 /nfs/dbraw/zinc/66/12/95/1351661295.db2.gz DSVFLLGEKKDWCZ-LLVKDONJSA-N -1 0 335.360 2.188 20 5 EEBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCCC1 ZINC000798149769 1371570049 /nfs/dbraw/zinc/57/00/49/1371570049.db2.gz HXNIGKFUOKFRAB-UHFFFAOYSA-N -1 0 336.735 2.376 20 5 EEBDRM CCc1cnccc1CNc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001578560330 1403771797 /nfs/dbraw/zinc/77/17/97/1403771797.db2.gz SRDBMFRLJDOYAW-UHFFFAOYSA-N -1 0 343.322 2.484 20 5 EEBDRM CNc1nccc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001606314736 1404790396 /nfs/dbraw/zinc/79/03/96/1404790396.db2.gz ZFEJCXHIEMEBIY-UHFFFAOYSA-N -1 0 330.300 2.290 20 5 EEBDRM CCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cn1 ZINC000798246671 805599820 /nfs/dbraw/zinc/59/98/20/805599820.db2.gz DUECCIOPQVCJSK-UHFFFAOYSA-N -1 0 348.743 2.405 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000918371749 769065520 /nfs/dbraw/zinc/06/55/20/769065520.db2.gz FWRLWXZWSNQZNL-UHFFFAOYSA-N -1 0 347.283 2.147 20 5 EEBDRM O=C([O-])CN(CC1CC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846710657 790493060 /nfs/dbraw/zinc/49/30/60/790493060.db2.gz FXOOXTYQXOCECV-UHFFFAOYSA-N -1 0 344.726 2.253 20 5 EEBDRM Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000821089462 786597482 /nfs/dbraw/zinc/59/74/82/786597482.db2.gz IZWDXNCORIFTLF-UHFFFAOYSA-N -1 0 349.271 2.293 20 5 EEBDRM Cc1nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1C(=O)[O-] ZINC000910288364 786621240 /nfs/dbraw/zinc/62/12/40/786621240.db2.gz PZCRDVLXACHGMU-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM CCc1ccc([C@H](O)CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000844213052 788930881 /nfs/dbraw/zinc/93/08/81/788930881.db2.gz QSEFUUSOGXPIEG-CQSZACIVSA-N -1 0 331.328 2.396 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000845472538 789802256 /nfs/dbraw/zinc/80/22/56/789802256.db2.gz RCKXEIPDOSYBMK-QWHCGFSZSA-N -1 0 338.385 2.144 20 5 EEBDRM COc1ccccc1[C@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000915213933 795730899 /nfs/dbraw/zinc/73/08/99/795730899.db2.gz YOXKTTWCHWEKBG-CQSZACIVSA-N -1 0 332.312 2.447 20 5 EEBDRM COc1ccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001176365510 798441620 /nfs/dbraw/zinc/44/16/20/798441620.db2.gz AYMXCTSAPWLVIX-UHFFFAOYSA-N -1 0 345.311 2.161 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000793141444 810159613 /nfs/dbraw/zinc/15/96/13/810159613.db2.gz GXUPIYJFTUBTNA-JTQLQIEISA-N -1 0 343.405 2.132 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000345987787 939128436 /nfs/dbraw/zinc/12/84/36/939128436.db2.gz WQAQRMINDTXQAR-CQSZACIVSA-N -1 0 330.296 2.159 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159007659 949373402 /nfs/dbraw/zinc/37/34/02/949373402.db2.gz VIGMATHAFPXMEU-MRVPVSSYSA-N -1 0 345.149 2.293 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)nc1 ZINC001595236951 949416162 /nfs/dbraw/zinc/41/61/62/949416162.db2.gz NICQMTVKADKCGF-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])CC1(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC001594976811 950928550 /nfs/dbraw/zinc/92/85/50/950928550.db2.gz PXKIYECDTARBKL-UHFFFAOYSA-N -1 0 342.735 2.458 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001594990531 951040388 /nfs/dbraw/zinc/04/03/88/951040388.db2.gz IFLMDPKMDVZCIJ-BYCMXARLSA-N -1 0 332.356 2.412 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001589303998 953720327 /nfs/dbraw/zinc/72/03/27/953720327.db2.gz KQJVZHNYCBVXNK-IUCAKERBSA-N -1 0 325.296 2.451 20 5 EEBDRM C[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589054504 955685487 /nfs/dbraw/zinc/68/54/87/955685487.db2.gz XMVNPWNAEGBOBZ-NSHDSACASA-N -1 0 337.376 2.498 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC001594682719 956700935 /nfs/dbraw/zinc/70/09/35/956700935.db2.gz PUGYDUCHPQXSMG-UHFFFAOYSA-N -1 0 343.295 2.290 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001594307142 957979309 /nfs/dbraw/zinc/97/93/09/957979309.db2.gz FRFKOVAHMSYXCP-CQSZACIVSA-N -1 0 326.736 2.493 20 5 EEBDRM COc1cc(COC(=O)c2ccc(C(=O)[O-])cn2)ccc1[N+](=O)[O-] ZINC001594058560 958065439 /nfs/dbraw/zinc/06/54/39/958065439.db2.gz DPONOEFMHQXIBO-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001356381049 958175448 /nfs/dbraw/zinc/17/54/48/958175448.db2.gz AJWAXKIZMMZFQZ-UHFFFAOYSA-N -1 0 329.740 2.254 20 5 EEBDRM Cc1c(Br)c(N2CC[C@@H](C(=O)[O-])[C@@H]2C)ncc1[N+](=O)[O-] ZINC000165677407 959291372 /nfs/dbraw/zinc/29/13/72/959291372.db2.gz BSSRWQVOECTUTJ-JGVFFNPUSA-N -1 0 344.165 2.360 20 5 EEBDRM C[C@H](OC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001573633077 959568215 /nfs/dbraw/zinc/56/82/15/959568215.db2.gz AVMRIWJHGVGOFC-SUHUHFCYSA-N -1 0 337.328 2.469 20 5 EEBDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852944395 969293879 /nfs/dbraw/zinc/29/38/79/969293879.db2.gz LSRUDTBLTWCFGM-CQSZACIVSA-N -1 0 326.736 2.365 20 5 EEBDRM Cc1cc(COC(=O)C2(CC(=O)[O-])CCOCC2)ccc1[N+](=O)[O-] ZINC001605170872 972870602 /nfs/dbraw/zinc/87/06/02/972870602.db2.gz IHPPSVFIVJMNSK-UHFFFAOYSA-N -1 0 337.328 2.218 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001605677079 974089837 /nfs/dbraw/zinc/08/98/37/974089837.db2.gz KADPUGSPHIEZLY-UHFFFAOYSA-N -1 0 343.295 2.290 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001592309631 977681101 /nfs/dbraw/zinc/68/11/01/977681101.db2.gz XJBQVSAGWYHDLV-MRXNPFEDSA-N -1 0 329.312 2.110 20 5 EEBDRM C[C@@H](CN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001592593385 978525167 /nfs/dbraw/zinc/52/51/67/978525167.db2.gz DYAKVHVMYWZQMU-VIFPVBQESA-N -1 0 339.348 2.102 20 5 EEBDRM CC[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001595158708 979669980 /nfs/dbraw/zinc/66/99/80/979669980.db2.gz CMZWSQHHVRXRLN-SSDOTTSWSA-N -1 0 334.250 2.454 20 5 EEBDRM CC[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001595175823 979761530 /nfs/dbraw/zinc/76/15/30/979761530.db2.gz GNHACGWAMNZTPP-VIFPVBQESA-N -1 0 339.348 2.468 20 5 EEBDRM CC[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H](C)C(=O)[O-] ZINC001595353629 980683790 /nfs/dbraw/zinc/68/37/90/980683790.db2.gz TWTLWJSDPXWWAY-YGRLFVJLSA-N -1 0 347.327 2.437 20 5 EEBDRM CC[C@@H]1[C@H](C)CCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595404934 980984325 /nfs/dbraw/zinc/98/43/25/980984325.db2.gz NDHPCDSJOLUGHY-BXKDBHETSA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001594981868 982775102 /nfs/dbraw/zinc/77/51/02/982775102.db2.gz JXUOJCQYRUBTTR-SNVBAGLBSA-N -1 0 334.332 2.330 20 5 EEBDRM CCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C[C@H]1C ZINC001596441845 984130823 /nfs/dbraw/zinc/13/08/23/984130823.db2.gz CUALYLCDWUQJDS-SECBINFHSA-N -1 0 327.768 2.477 20 5 EEBDRM CCOC(=O)N1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001596646108 984659871 /nfs/dbraw/zinc/65/98/71/984659871.db2.gz ISTTZLPJYUENEE-FUEXJSSKSA-N -1 0 349.343 2.335 20 5 EEBDRM C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@]1(C)C(=O)[O-] ZINC001599923228 985165731 /nfs/dbraw/zinc/16/57/31/985165731.db2.gz FPSFRZMUXPXZGM-JAMKOXHTSA-N -1 0 332.356 2.268 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@]1(C)C(=O)[O-] ZINC001599932219 985335408 /nfs/dbraw/zinc/33/54/08/985335408.db2.gz ZZYFPKJWITUWRF-BTDLBPIBSA-N -1 0 347.371 2.034 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC001599956932 985704398 /nfs/dbraw/zinc/70/43/98/985704398.db2.gz BUZWCDWWJABNKA-UHFFFAOYSA-N -1 0 348.311 2.474 20 5 EEBDRM C[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC001589340216 986250311 /nfs/dbraw/zinc/25/03/11/986250311.db2.gz ZZDAWMYWLCYHJZ-NSHDSACASA-N -1 0 343.339 2.450 20 5 EEBDRM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001589378656 986447333 /nfs/dbraw/zinc/44/73/33/986447333.db2.gz OQPDLTLUPUQZRQ-JVXZTZIISA-N -1 0 334.250 2.209 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001599877269 989435018 /nfs/dbraw/zinc/43/50/18/989435018.db2.gz HLPJZVATBFMYBO-DWZYQQQCSA-N -1 0 332.356 2.410 20 5 EEBDRM CCn1nc(C)c(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)n1 ZINC001597938146 989909819 /nfs/dbraw/zinc/90/98/19/989909819.db2.gz KAZWOZRPGVJQGT-UHFFFAOYSA-N -1 0 339.739 2.478 20 5 EEBDRM CCn1ncnc1CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001597969477 990018714 /nfs/dbraw/zinc/01/87/14/990018714.db2.gz OGMUJULVTUKRFK-UHFFFAOYSA-N -1 0 325.712 2.170 20 5 EEBDRM CN(Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](COC1CCC1)C(=O)[O-] ZINC001598506110 992505626 /nfs/dbraw/zinc/50/56/26/992505626.db2.gz UUFQBWNBAGWCAG-CQSZACIVSA-N -1 0 344.314 2.327 20 5 EEBDRM C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC001593155309 993966909 /nfs/dbraw/zinc/96/69/09/993966909.db2.gz LWUDDFMNUSNWDX-ZCFIWIBFSA-N -1 0 339.304 2.380 20 5 EEBDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001599643381 994389905 /nfs/dbraw/zinc/38/99/05/994389905.db2.gz IGTJPGRADJDBSW-UHFFFAOYSA-N -1 0 345.311 2.282 20 5 EEBDRM COc1cc(COC(=O)C23CC(C(=O)[O-])(C2)C3)c([N+](=O)[O-])cc1F ZINC001599417536 997536286 /nfs/dbraw/zinc/53/62/86/997536286.db2.gz DWQKRZDZRPNBLI-UHFFFAOYSA-N -1 0 339.275 2.041 20 5 EEBDRM COC(=O)c1cc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n(C)c1C ZINC001598933576 997819917 /nfs/dbraw/zinc/81/99/17/997819917.db2.gz MNZMDMSOKJMJQJ-UHFFFAOYSA-N -1 0 347.327 2.339 20 5 EEBDRM COc1cc(C(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc([N+](=O)[O-])c1C ZINC001599350598 998087022 /nfs/dbraw/zinc/08/70/22/998087022.db2.gz DIHJYJNAAUCIOB-SNVBAGLBSA-N -1 0 336.344 2.380 20 5 EEBDRM CO[C@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599057839 999243265 /nfs/dbraw/zinc/24/32/65/999243265.db2.gz INEJAZDZQUWIFC-OAHLLOKOSA-N -1 0 344.323 2.489 20 5 EEBDRM C[C@@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1CO ZINC001594432372 999609163 /nfs/dbraw/zinc/60/91/63/999609163.db2.gz UCMYDUKCGLVJLF-BDAKNGLRSA-N -1 0 328.752 2.401 20 5 EEBDRM C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[C@@H]1C(=O)[O-] ZINC000262855733 245215587 /nfs/dbraw/zinc/21/55/87/245215587.db2.gz DZGRUUWAVAHSAS-RISCZKNCSA-N -1 0 345.355 2.119 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262964030 245272743 /nfs/dbraw/zinc/27/27/43/245272743.db2.gz MFKGABWLEFLPFJ-XPKDYRNWSA-N -1 0 332.356 2.239 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc([N+](=O)[O-])c1 ZINC000191670849 304222847 /nfs/dbraw/zinc/22/28/47/304222847.db2.gz LTDHWFLCOBZGBG-OWCLPIDISA-N -1 0 338.319 2.361 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000273380166 256292057 /nfs/dbraw/zinc/29/20/57/256292057.db2.gz IAZAFZJNWCLGNN-UHFFFAOYSA-N -1 0 342.402 2.457 20 5 EEBDRM CO[C@@H](C)c1nc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cs1 ZINC000273402301 256293602 /nfs/dbraw/zinc/29/36/02/256293602.db2.gz IXFCYLLQMIIKMV-QMMMGPOBSA-N -1 0 337.357 2.394 20 5 EEBDRM COCCCN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183581531 533285076 /nfs/dbraw/zinc/28/50/76/533285076.db2.gz IZLSTECNLAIAIR-UHFFFAOYSA-N -1 0 345.355 2.374 20 5 EEBDRM CCC(CC)S(=O)(=O)[N-]C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000113698151 292230245 /nfs/dbraw/zinc/23/02/45/292230245.db2.gz LAODEYZXPBIRJF-JXMROGBWSA-N -1 0 326.374 2.243 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000262900341 152336841 /nfs/dbraw/zinc/33/68/41/152336841.db2.gz CUILCKRHTWNLQK-INIZCTEOSA-N -1 0 336.344 2.320 20 5 EEBDRM O=C([O-])CCCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000263476832 160466121 /nfs/dbraw/zinc/46/61/21/160466121.db2.gz MWMFGHUTZPAWAM-CYBMUJFWSA-N -1 0 335.360 2.349 20 5 EEBDRM O=C([O-])CN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000324215916 160540447 /nfs/dbraw/zinc/54/04/47/160540447.db2.gz OXIFWUGQHMVABN-UHFFFAOYSA-N -1 0 330.296 2.091 20 5 EEBDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000119286932 159376148 /nfs/dbraw/zinc/37/61/48/159376148.db2.gz YIXWFLLAZIIBHB-UHFFFAOYSA-N -1 0 343.386 2.478 20 5 EEBDRM O=C(Nc1ccc(OCCCO)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000343403302 161133027 /nfs/dbraw/zinc/13/30/27/161133027.db2.gz MJSNLGYWDGENBC-UHFFFAOYSA-N -1 0 332.312 2.314 20 5 EEBDRM Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1O ZINC000346508802 161378051 /nfs/dbraw/zinc/37/80/51/161378051.db2.gz SZMKHCNWAFZFEE-UHFFFAOYSA-N -1 0 338.341 2.424 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000352897729 162336524 /nfs/dbraw/zinc/33/65/24/162336524.db2.gz GIEBYNYDQXXWCA-UHFFFAOYSA-N -1 0 328.375 2.149 20 5 EEBDRM COC(=O)c1csc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000355043707 163061894 /nfs/dbraw/zinc/06/18/94/163061894.db2.gz AJPMOJSJVIVTLR-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000275175390 269100431 /nfs/dbraw/zinc/10/04/31/269100431.db2.gz WAGBITOEALJCKO-NOZJJQNGSA-N -1 0 344.389 2.023 20 5 EEBDRM O=[N+]([O-])c1ccc(-c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)cc1[O-] ZINC000278212487 269215557 /nfs/dbraw/zinc/21/55/57/269215557.db2.gz XHHNQPGDQLVKEO-SMDDNHRTSA-N -1 0 346.343 2.276 20 5 EEBDRM COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274740762 274219880 /nfs/dbraw/zinc/21/98/80/274219880.db2.gz CXYMZWJGHNXWSH-CZUORRHYSA-N -1 0 336.344 2.152 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000287142105 274938751 /nfs/dbraw/zinc/93/87/51/274938751.db2.gz BVXORLRZHQPAOX-SECBINFHSA-N -1 0 334.394 2.155 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000288014743 275015251 /nfs/dbraw/zinc/01/52/51/275015251.db2.gz WGRRLUGMPJXHPE-ZDUSSCGKSA-N -1 0 348.277 2.220 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000294062781 293360604 /nfs/dbraw/zinc/36/06/04/293360604.db2.gz HMBVPPPMUVTAAT-OAHLLOKOSA-N -1 0 332.356 2.332 20 5 EEBDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355852649 300901098 /nfs/dbraw/zinc/90/10/98/300901098.db2.gz ZUAXQLYOHZUODP-UHFFFAOYSA-N -1 0 332.288 2.365 20 5 EEBDRM Cc1c(Br)c(N2CC[C@](C)(C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000165667379 300908761 /nfs/dbraw/zinc/90/87/61/300908761.db2.gz RAFAORDVMIWKQQ-LBPRGKRZSA-N -1 0 344.165 2.362 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000326576869 311604239 /nfs/dbraw/zinc/60/42/39/311604239.db2.gz YFUNETPWVPYMDC-INIZCTEOSA-N -1 0 331.328 2.071 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000326576871 311604321 /nfs/dbraw/zinc/60/43/21/311604321.db2.gz YFUNETPWVPYMDC-MRXNPFEDSA-N -1 0 331.328 2.071 20 5 EEBDRM Cn1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000331880935 311918477 /nfs/dbraw/zinc/91/84/77/311918477.db2.gz IHMMVUXJOQJYRD-ZDUSSCGKSA-N -1 0 330.344 2.401 20 5 EEBDRM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436973455 315018587 /nfs/dbraw/zinc/01/85/87/315018587.db2.gz XNHJDRVNCOFLFK-OAHLLOKOSA-N -1 0 344.323 2.287 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(Oc2ccccn2)CC1 ZINC000437000744 315021912 /nfs/dbraw/zinc/02/19/12/315021912.db2.gz PIDCVUHOJNRDQT-UHFFFAOYSA-N -1 0 343.339 2.379 20 5 EEBDRM CN(C)C(=O)OC[C@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000495730100 316076814 /nfs/dbraw/zinc/07/68/14/316076814.db2.gz PKCZAUWZMPPQIF-CYBMUJFWSA-N -1 0 337.376 2.353 20 5 EEBDRM COc1ccc(OC)c(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000507502217 316381484 /nfs/dbraw/zinc/38/14/84/316381484.db2.gz RIMDYYZIYMWAHY-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(CC)(CC)C(=O)[O-] ZINC000551001140 318457806 /nfs/dbraw/zinc/45/78/06/318457806.db2.gz OPZATUSIABPFDZ-UHFFFAOYSA-N -1 0 344.389 2.079 20 5 EEBDRM C[C@@H](Cc1cnn(C)c1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563625742 319031713 /nfs/dbraw/zinc/03/17/13/319031713.db2.gz MOMJDQDGIBAPMI-QMMMGPOBSA-N -1 0 338.751 2.048 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)cc1[N+](=O)[O-] ZINC000564211636 319072685 /nfs/dbraw/zinc/07/26/85/319072685.db2.gz UWHKQXFEEGORHM-UHFFFAOYSA-N -1 0 340.361 2.464 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@H](CO)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000565483445 319187018 /nfs/dbraw/zinc/18/70/18/319187018.db2.gz ITNDVXLRWUGFCW-LBPRGKRZSA-N -1 0 334.328 2.078 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)n1 ZINC000566293392 319270708 /nfs/dbraw/zinc/27/07/08/319270708.db2.gz PZPQXZCLPSSAJI-NEPJUHHUSA-N -1 0 337.376 2.230 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000566298445 319271896 /nfs/dbraw/zinc/27/18/96/319271896.db2.gz WQLZVRTZDJXVTF-SUMWQHHRSA-N -1 0 334.372 2.431 20 5 EEBDRM Cc1ccnc(N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000567592004 319394929 /nfs/dbraw/zinc/39/49/29/319394929.db2.gz IKWOXARAHNAQFT-JSGCOSHPSA-N -1 0 335.360 2.004 20 5 EEBDRM Cc1cc(N(C)CCN(C)CC(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575185380 320094060 /nfs/dbraw/zinc/09/40/60/320094060.db2.gz YBAZQAAMPSRCSM-UHFFFAOYSA-N -1 0 331.319 2.235 20 5 EEBDRM CC(C)(C)c1cc(NCc2ccccc2[N+](=O)[O-])nc(C(=O)[O-])n1 ZINC000581134727 324193617 /nfs/dbraw/zinc/19/36/17/324193617.db2.gz YLZPQXJAUQGEGZ-UHFFFAOYSA-N -1 0 330.344 2.415 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC[C@@H](OCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000582609884 324489377 /nfs/dbraw/zinc/48/93/77/324489377.db2.gz PAXCRTSCGCWIIP-MRVPVSSYSA-N -1 0 349.265 2.236 20 5 EEBDRM Cc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000083955877 463569271 /nfs/dbraw/zinc/56/92/71/463569271.db2.gz ZZKITCVQVWQDTO-UHFFFAOYSA-N -1 0 328.375 2.172 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000325719426 465029800 /nfs/dbraw/zinc/02/98/00/465029800.db2.gz MZMSBDCCOJFUKC-HNNXBMFYSA-N -1 0 326.308 2.419 20 5 EEBDRM Cc1cc(S(=O)(=O)N(CCC(=O)[O-])C(C)C)c(C)cc1[N+](=O)[O-] ZINC000578965994 468285346 /nfs/dbraw/zinc/28/53/46/468285346.db2.gz BHLUOHIWYGCEDD-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM CCCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000063734688 462668177 /nfs/dbraw/zinc/66/81/77/462668177.db2.gz FHZVRTNDNBURHP-UHFFFAOYSA-N -1 0 349.387 2.069 20 5 EEBDRM CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119144251 462878617 /nfs/dbraw/zinc/87/86/17/462878617.db2.gz OLBSXEXLRQSSMN-RSPIHXBNSA-N -1 0 340.401 2.110 20 5 EEBDRM COc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000091696270 462899770 /nfs/dbraw/zinc/89/97/70/462899770.db2.gz MERYBRZJCHDJIT-UHFFFAOYSA-N -1 0 328.284 2.438 20 5 EEBDRM CC(C)C(=O)NC[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092705956 462975669 /nfs/dbraw/zinc/97/56/69/462975669.db2.gz KFSXLZPOMZDFFN-ZDUSSCGKSA-N -1 0 335.404 2.285 20 5 EEBDRM C[C@H](N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1)C(F)(F)F ZINC000158132412 463207699 /nfs/dbraw/zinc/20/76/99/463207699.db2.gz JXMVRYSRHFNTLG-VIFPVBQESA-N -1 0 347.293 2.009 20 5 EEBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](CC)C(=O)OCC ZINC000276933911 463811304 /nfs/dbraw/zinc/81/13/04/463811304.db2.gz RBYUKESDWVGXDD-GFCCVEGCSA-N -1 0 338.360 2.494 20 5 EEBDRM O=C([O-])C1(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCCC1 ZINC000262058483 463936604 /nfs/dbraw/zinc/93/66/04/463936604.db2.gz YGFZBOXUSXCCJP-UHFFFAOYSA-N -1 0 345.355 2.453 20 5 EEBDRM O=C([O-])C[C@H]1CSCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000262486068 464030558 /nfs/dbraw/zinc/03/05/58/464030558.db2.gz FKPZCKTZAIGEGJ-JTQLQIEISA-N -1 0 349.368 2.108 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000263370729 464093728 /nfs/dbraw/zinc/09/37/28/464093728.db2.gz VGOCGZNWULBLQF-MNOVXSKESA-N -1 0 343.339 2.326 20 5 EEBDRM COc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000263554637 464129203 /nfs/dbraw/zinc/12/92/03/464129203.db2.gz YEHSAKGLDNYIBK-JOYOIKCWSA-N -1 0 336.344 2.095 20 5 EEBDRM CN(CC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000237122929 464269570 /nfs/dbraw/zinc/26/95/70/464269570.db2.gz KUBTZUCOWPOTRL-UHFFFAOYSA-N -1 0 343.339 2.297 20 5 EEBDRM CN1CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc21 ZINC000175519209 464565748 /nfs/dbraw/zinc/56/57/48/464565748.db2.gz MKJHQXSNQKUCKT-UHFFFAOYSA-N -1 0 329.312 2.381 20 5 EEBDRM CCCc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccc(C)o3)n2)c1[N+](=O)[O-] ZINC000272364437 464578214 /nfs/dbraw/zinc/57/82/14/464578214.db2.gz SRBJPNQWCAWNIA-UHFFFAOYSA-N -1 0 345.319 2.209 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nc(C(C)(C)C)no1 ZINC000175600871 464583635 /nfs/dbraw/zinc/58/36/35/464583635.db2.gz GVWHUTHHUADHQP-QMMMGPOBSA-N -1 0 334.332 2.472 20 5 EEBDRM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000176153933 464709023 /nfs/dbraw/zinc/70/90/23/464709023.db2.gz GKJYUVLBPRFGHD-UHFFFAOYSA-N -1 0 344.302 2.288 20 5 EEBDRM CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569007038 468423228 /nfs/dbraw/zinc/42/32/28/468423228.db2.gz CBXODXXKOKMWLI-MWLCHTKSSA-N -1 0 342.373 2.102 20 5 EEBDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000176717130 464832143 /nfs/dbraw/zinc/83/21/43/464832143.db2.gz KJOKZFWCGQBMGS-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184625752 465010787 /nfs/dbraw/zinc/01/07/87/465010787.db2.gz BNGXXEHPROYPCC-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000353113481 465647999 /nfs/dbraw/zinc/64/79/99/465647999.db2.gz SQENEAAWLKROFE-VXGBXAGGSA-N -1 0 349.387 2.114 20 5 EEBDRM C[S@@](=O)c1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000362492103 465779478 /nfs/dbraw/zinc/77/94/78/465779478.db2.gz IPOFMFBVBFFORH-XMMPIXPASA-N -1 0 348.336 2.283 20 5 EEBDRM C[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000362491990 465779922 /nfs/dbraw/zinc/77/99/22/465779922.db2.gz HTBRQBINNOBTII-NSHDSACASA-N -1 0 344.323 2.490 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000362737196 465989195 /nfs/dbraw/zinc/98/91/95/465989195.db2.gz PEKGVXJSSYTTAG-ZDUSSCGKSA-N -1 0 346.314 2.407 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc(N(C)C)nc2)ccc1[N+](=O)[O-] ZINC000357398103 466004152 /nfs/dbraw/zinc/00/41/52/466004152.db2.gz FRHLGDHEDXOHCT-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM O=c1nc(CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)[nH][n-]1 ZINC000302032023 466084723 /nfs/dbraw/zinc/08/47/23/466084723.db2.gz NPHHEZFXJYKDPQ-UHFFFAOYSA-N -1 0 332.147 2.358 20 5 EEBDRM O=C(Nc1ccccc1Cn1cncn1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000357582574 466152427 /nfs/dbraw/zinc/15/24/27/466152427.db2.gz NEOOGILKPUCTCE-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000331709730 466209654 /nfs/dbraw/zinc/20/96/54/466209654.db2.gz CJOXWQBPAJQYRA-LBPRGKRZSA-N -1 0 344.371 2.129 20 5 EEBDRM COc1cc(CNc2nc3cc(Cl)ccn3n2)cc([N+](=O)[O-])c1[O-] ZINC000357700205 466212860 /nfs/dbraw/zinc/21/28/60/466212860.db2.gz MYLRVRGOUSYOBJ-UHFFFAOYSA-N -1 0 349.734 2.617 20 5 EEBDRM O=C(NCc1nccn1-c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000338611444 466259393 /nfs/dbraw/zinc/25/93/93/466259393.db2.gz OUIOFJFFKPBVBY-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM Cc1cn2c(n1)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])CCC2 ZINC000367526024 466393107 /nfs/dbraw/zinc/39/31/07/466393107.db2.gz FRWVNCNHVOPRQJ-LLVKDONJSA-N -1 0 330.344 2.113 20 5 EEBDRM COc1ccc(NC(=O)N(CC(=O)[O-])CC(C)C)cc1[N+](=O)[O-] ZINC000322736211 466634456 /nfs/dbraw/zinc/63/44/56/466634456.db2.gz XDDASCAZCDYXIF-UHFFFAOYSA-N -1 0 325.321 2.178 20 5 EEBDRM O=C([O-])c1ccc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000325063835 466652402 /nfs/dbraw/zinc/65/24/02/466652402.db2.gz UVELYXSMOOAZBY-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM Cc1c(CNC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000398892255 467451742 /nfs/dbraw/zinc/45/17/42/467451742.db2.gz ZOKKLQOTLBKFNS-GWCFXTLKSA-N -1 0 335.360 2.155 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cc(F)ccc2C)c([N+](=O)[O-])n1 ZINC000435727854 467491822 /nfs/dbraw/zinc/49/18/22/467491822.db2.gz GOBBAVNTPHKPLV-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C(=O)[O-] ZINC000431521969 467522375 /nfs/dbraw/zinc/52/23/75/467522375.db2.gz SPSCRRMOIBJSFM-SECBINFHSA-N -1 0 342.326 2.271 20 5 EEBDRM Cc1ccc2nc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])cn2c1 ZINC000436774060 467554113 /nfs/dbraw/zinc/55/41/13/467554113.db2.gz VGMCGMKLWYSNRG-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM CN(C)c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])ccc2[nH]1 ZINC000436795443 467554747 /nfs/dbraw/zinc/55/47/47/467554747.db2.gz RBQUCYHKWDODRT-UHFFFAOYSA-N -1 0 341.327 2.495 20 5 EEBDRM C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@@]1(C)C(=O)[O-] ZINC000493104978 467841912 /nfs/dbraw/zinc/84/19/12/467841912.db2.gz KXCCINDAMBLHCM-VNQSWOMRSA-N -1 0 336.319 2.316 20 5 EEBDRM O=C(/C=C/C1CCCC1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000493620385 467950551 /nfs/dbraw/zinc/95/05/51/467950551.db2.gz JUKUQCPVDMCYFJ-JXMROGBWSA-N -1 0 338.385 2.287 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000532262712 468106516 /nfs/dbraw/zinc/10/65/16/468106516.db2.gz KHCICRZYFXMNPZ-JTQLQIEISA-N -1 0 338.385 2.447 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@H](CO)Cc2ccccc21 ZINC000590406930 468247613 /nfs/dbraw/zinc/24/76/13/468247613.db2.gz MJRKBULGJKYOMF-LLVKDONJSA-N -1 0 328.324 2.112 20 5 EEBDRM COc1ccc2c(c1)CN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000569697494 468530360 /nfs/dbraw/zinc/53/03/60/468530360.db2.gz PQUUHFYCJQULSI-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM Cc1cc(NCCC(C)(C)S(C)(=O)=O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569852642 468553121 /nfs/dbraw/zinc/55/31/21/468553121.db2.gz UUNCJIQPMJLFCZ-UHFFFAOYSA-N -1 0 344.389 2.227 20 5 EEBDRM Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597468362 468566455 /nfs/dbraw/zinc/56/64/55/468566455.db2.gz ZBXCAZZSRUDJLP-RKDXNWHRSA-N -1 0 336.735 2.430 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC000600672417 468616718 /nfs/dbraw/zinc/61/67/18/468616718.db2.gz JQIKZBZFTWSWBJ-CYBMUJFWSA-N -1 0 335.404 2.445 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@H]3CCCCO3)C2)n1 ZINC000594734546 468668148 /nfs/dbraw/zinc/66/81/48/468668148.db2.gz ASPBAUAWWJGNHK-SMDDNHRTSA-N -1 0 335.360 2.474 20 5 EEBDRM Cc1cc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC000600875857 468673342 /nfs/dbraw/zinc/67/33/42/468673342.db2.gz AJZSMIMXIZBZHQ-UHFFFAOYSA-N -1 0 332.312 2.443 20 5 EEBDRM Cc1sc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1C(=O)[O-] ZINC000583443391 468698203 /nfs/dbraw/zinc/69/82/03/468698203.db2.gz LGCNNWJJGYKHQL-SECBINFHSA-N -1 0 349.372 2.144 20 5 EEBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](C)C(=O)OC(C)(C)C ZINC000597873082 468700455 /nfs/dbraw/zinc/70/04/55/468700455.db2.gz HTSYYARBGSJFSR-SNVBAGLBSA-N -1 0 338.360 2.493 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H](O)C12CCCC2 ZINC000592800656 468789963 /nfs/dbraw/zinc/78/99/63/468789963.db2.gz JHEWMJZUBNHNFF-GFCCVEGCSA-N -1 0 340.763 2.473 20 5 EEBDRM COc1cc(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000595248740 468792850 /nfs/dbraw/zinc/79/28/50/468792850.db2.gz CFWBPKBKGDJWPV-CZUORRHYSA-N -1 0 336.344 2.285 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@H](c3cccnc3)C2)n1 ZINC000592977578 468833038 /nfs/dbraw/zinc/83/30/38/468833038.db2.gz WCBGBENHGOJJQC-FZMZJTMJSA-N -1 0 344.327 2.415 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000584387634 468857911 /nfs/dbraw/zinc/85/79/11/468857911.db2.gz DKPKFYCHCJEIGP-ZDUSSCGKSA-N -1 0 333.275 2.075 20 5 EEBDRM CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598485637 468884430 /nfs/dbraw/zinc/88/44/30/468884430.db2.gz SDEMLBWYLAPKFH-CZUORRHYSA-N -1 0 336.344 2.152 20 5 EEBDRM C[C@H](NC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000572343180 468918169 /nfs/dbraw/zinc/91/81/69/468918169.db2.gz NFYXEJKUYYHPAO-XVKPBYJWSA-N -1 0 349.265 2.361 20 5 EEBDRM CC(C)c1ncc2c(n1)CCN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000598938668 469057579 /nfs/dbraw/zinc/05/75/79/469057579.db2.gz FOIFHXFYDOHFJH-UHFFFAOYSA-N -1 0 343.343 2.164 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCN(CC(F)F)CC2)c1 ZINC000563204458 469198916 /nfs/dbraw/zinc/19/89/16/469198916.db2.gz FCQBOKAKDBAVII-UHFFFAOYSA-N -1 0 329.303 2.070 20 5 EEBDRM CNc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000611463217 469254720 /nfs/dbraw/zinc/25/47/20/469254720.db2.gz BTWWDEMROUVXPY-QGZVFWFLSA-N -1 0 343.339 2.366 20 5 EEBDRM CNc1ccc(C(=O)N(CC(=O)[O-])C2CCCCC2)cc1[N+](=O)[O-] ZINC000611463550 469254730 /nfs/dbraw/zinc/25/47/30/469254730.db2.gz PYCMUAJYPBQOBO-UHFFFAOYSA-N -1 0 335.360 2.496 20 5 EEBDRM O=C(NC[C@H]1OCCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534989 469274337 /nfs/dbraw/zinc/27/43/37/469274337.db2.gz QCMOWOPXMPGLBC-MRXNPFEDSA-N -1 0 328.324 2.344 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccnn1C(C)C ZINC000619506819 469628644 /nfs/dbraw/zinc/62/86/44/469628644.db2.gz PVSLVCVTGOEAAV-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM CCc1cnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)s1 ZINC000619507026 469628664 /nfs/dbraw/zinc/62/86/64/469628664.db2.gz SMWNXFIYSMKGES-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000618249956 469939604 /nfs/dbraw/zinc/93/96/04/469939604.db2.gz KFEALEGFSGKDID-CYBMUJFWSA-N -1 0 328.324 2.293 20 5 EEBDRM CCCCNC(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000163074624 528494277 /nfs/dbraw/zinc/49/42/77/528494277.db2.gz OVZRGIGOLIQCFH-UHFFFAOYSA-N -1 0 349.387 2.069 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183917118 528578561 /nfs/dbraw/zinc/57/85/61/528578561.db2.gz OWPOSQSEBHKOQS-CQSZACIVSA-N -1 0 347.327 2.287 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000262788963 536954727 /nfs/dbraw/zinc/95/47/27/536954727.db2.gz KJZUONRNLRPPOV-GHMZBOCLSA-N -1 0 336.344 2.111 20 5 EEBDRM Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000739204021 576168402 /nfs/dbraw/zinc/16/84/02/576168402.db2.gz VCOXSGFMLKVRPV-CYBMUJFWSA-N -1 0 334.259 2.299 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000733059916 577201371 /nfs/dbraw/zinc/20/13/71/577201371.db2.gz DIZQDOVYDNSDFP-UHFFFAOYSA-N -1 0 344.389 2.099 20 5 EEBDRM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC000733091836 577202918 /nfs/dbraw/zinc/20/29/18/577202918.db2.gz XDNPNFZWBHYKID-UHFFFAOYSA-N -1 0 346.267 2.122 20 5 EEBDRM O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772320604 577264200 /nfs/dbraw/zinc/26/42/00/577264200.db2.gz UFRDFXJYWFHFJW-UHFFFAOYSA-N -1 0 340.295 2.444 20 5 EEBDRM O=C(Nc1cnn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773568605 577352118 /nfs/dbraw/zinc/35/21/18/577352118.db2.gz PUSSIOXFKNSNJT-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1c([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]c1C1CC1 ZINC000759499916 577644361 /nfs/dbraw/zinc/64/43/61/577644361.db2.gz UVQLUQYZHGEIHO-UHFFFAOYSA-N -1 0 336.373 2.446 20 5 EEBDRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000762733845 577706777 /nfs/dbraw/zinc/70/67/77/577706777.db2.gz NONPQAYLQNFHAR-QXMHVHEDSA-N -1 0 340.401 2.330 20 5 EEBDRM CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000754674391 577810655 /nfs/dbraw/zinc/81/06/55/577810655.db2.gz OBJDEOAUYKBRDE-UHFFFAOYSA-N -1 0 349.796 2.072 20 5 EEBDRM CCCn1cc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000743264843 577882436 /nfs/dbraw/zinc/88/24/36/577882436.db2.gz ZCWJTOZQPBUJMA-UHFFFAOYSA-N -1 0 340.361 2.011 20 5 EEBDRM O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1ccc([N+](=O)[O-])[n-]1 ZINC000745972108 577920912 /nfs/dbraw/zinc/92/09/12/577920912.db2.gz KMAPPEWCVSUTCL-UHFFFAOYSA-N -1 0 346.274 2.393 20 5 EEBDRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000749047931 577970518 /nfs/dbraw/zinc/97/05/18/577970518.db2.gz QZLRWVWVLSKMBN-SNVBAGLBSA-N -1 0 344.389 2.235 20 5 EEBDRM Cc1ccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000738559763 578019338 /nfs/dbraw/zinc/01/93/38/578019338.db2.gz GZBDXOSLFADWOC-HNNXBMFYSA-N -1 0 342.351 2.430 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000738664690 578023249 /nfs/dbraw/zinc/02/32/49/578023249.db2.gz LTWLBPKHWQDEOQ-MRXNPFEDSA-N -1 0 343.339 2.257 20 5 EEBDRM O=C([O-])[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000739615818 578061033 /nfs/dbraw/zinc/06/10/33/578061033.db2.gz QPGXFEHBYBNOIP-MRXNPFEDSA-N -1 0 344.323 2.326 20 5 EEBDRM O=C([O-])C=Cc1ccc(N[C@H]2CCc3n[nH]cc3C2)c([N+](=O)[O-])c1 ZINC000739624884 578061404 /nfs/dbraw/zinc/06/14/04/578061404.db2.gz MMWYRTLSSRZJHM-QSLRECBCSA-N -1 0 328.328 2.385 20 5 EEBDRM O=C([O-])C=Cc1ccc(N[C@@H]2CCc3n[nH]cc3C2)c([N+](=O)[O-])c1 ZINC000739624885 578061416 /nfs/dbraw/zinc/06/14/16/578061416.db2.gz MMWYRTLSSRZJHM-RDNKVPPGSA-N -1 0 328.328 2.385 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cs1 ZINC000740089645 578080407 /nfs/dbraw/zinc/08/04/07/578080407.db2.gz HLXWSWSSYDAUOL-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM O=C([O-])c1coc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000740266853 578088190 /nfs/dbraw/zinc/08/81/90/578088190.db2.gz ATOIQTGSPIXDSE-UHFFFAOYSA-N -1 0 331.328 2.208 20 5 EEBDRM O=C([O-])c1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)o1 ZINC000740305126 578089656 /nfs/dbraw/zinc/08/96/56/578089656.db2.gz DWSRSDZQNUXLPJ-UHFFFAOYSA-N -1 0 331.284 2.383 20 5 EEBDRM CC(C)c1nn(C)cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736532116 578209744 /nfs/dbraw/zinc/20/97/44/578209744.db2.gz KPEPRQWXCOJCHN-UHFFFAOYSA-N -1 0 332.316 2.402 20 5 EEBDRM CCC[C@H](C)N(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736965281 578231629 /nfs/dbraw/zinc/23/16/29/578231629.db2.gz OSSNIQOEGGXNOO-QWRGUYRKSA-N -1 0 337.376 2.423 20 5 EEBDRM CCCc1[nH]nc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000737039031 578234403 /nfs/dbraw/zinc/23/44/03/578234403.db2.gz MKFXNSBDYDQLNE-UHFFFAOYSA-N -1 0 336.279 2.360 20 5 EEBDRM CS[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737179869 578242498 /nfs/dbraw/zinc/24/24/98/578242498.db2.gz NRGAOUWCVAILMB-SCZZXKLOSA-N -1 0 335.393 2.256 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1SC ZINC000737902990 578272492 /nfs/dbraw/zinc/27/24/92/578272492.db2.gz SQNGICROSPUIEX-SECBINFHSA-N -1 0 340.357 2.015 20 5 EEBDRM Cc1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(C(=O)[O-])[nH]1 ZINC000832893870 600881310 /nfs/dbraw/zinc/88/13/10/600881310.db2.gz XNRMDHGWWSAEOM-UHFFFAOYSA-N -1 0 332.316 2.004 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000833189146 600969239 /nfs/dbraw/zinc/96/92/39/600969239.db2.gz QHROMPGXRXMWIM-SECBINFHSA-N -1 0 332.234 2.303 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OS(=O)(=O)CC2CCCC2)c1 ZINC000833324239 602205929 /nfs/dbraw/zinc/20/59/29/602205929.db2.gz PVKYKOSJWQSOIJ-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM NC(=O)c1ccc(CNc2ccc(C(=O)[O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000833085866 602305022 /nfs/dbraw/zinc/30/50/22/602305022.db2.gz XRBAHJGLWLVRBS-UHFFFAOYSA-N -1 0 333.275 2.143 20 5 EEBDRM Cc1cc(NCCc2cccc(C(N)=O)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896963 602316710 /nfs/dbraw/zinc/31/67/10/602316710.db2.gz JARNSZZWHRXDSW-UHFFFAOYSA-N -1 0 343.339 2.355 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CC(=O)[O-])C1CCCC1 ZINC000832972529 602332660 /nfs/dbraw/zinc/33/26/60/602332660.db2.gz FBHZYIQYKHMNJN-UHFFFAOYSA-N -1 0 335.360 2.171 20 5 EEBDRM O=C([O-])N1CCC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000831594158 603944873 /nfs/dbraw/zinc/94/48/73/603944873.db2.gz ZSFBMFSZNRMWHZ-MRVPVSSYSA-N -1 0 327.724 2.120 20 5 EEBDRM CC[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833646496 605017191 /nfs/dbraw/zinc/01/71/91/605017191.db2.gz RSLQYSQMQXQWQX-VIFPVBQESA-N -1 0 332.106 2.377 20 5 EEBDRM CC(C)(C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833429209 605396465 /nfs/dbraw/zinc/39/64/65/605396465.db2.gz DVVQXUJUIQIARS-UHFFFAOYSA-N -1 0 344.389 2.398 20 5 EEBDRM CC1(C)CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000833558527 605402117 /nfs/dbraw/zinc/40/21/17/605402117.db2.gz JKCZSZMXGJDYBV-VIFPVBQESA-N -1 0 342.373 2.150 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000833553967 605461387 /nfs/dbraw/zinc/46/13/87/605461387.db2.gz JREBWDUZQBXZSQ-CQSZACIVSA-N -1 0 344.270 2.133 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000122299211 682924364 /nfs/dbraw/zinc/92/43/64/682924364.db2.gz HKJLMBNTMMTUJU-NSHDSACASA-N -1 0 334.353 2.203 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000263359798 689745321 /nfs/dbraw/zinc/74/53/21/689745321.db2.gz RRSBVFNIIFSLQK-VXGBXAGGSA-N -1 0 334.372 2.442 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000263360631 689745538 /nfs/dbraw/zinc/74/55/38/689745538.db2.gz YHUAHDIASPVDQV-INIZCTEOSA-N -1 0 331.328 2.403 20 5 EEBDRM O=c1[nH]c2cccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)c2o1 ZINC000811706647 1200232175 /nfs/dbraw/zinc/23/21/75/1200232175.db2.gz OTOXMOBWHNPIEN-UHFFFAOYSA-N -1 0 341.326 2.304 20 5 EEBDRM O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779655534 1210710021 /nfs/dbraw/zinc/71/00/21/1210710021.db2.gz JIZCTWPTSHHGMS-UHFFFAOYSA-N -1 0 340.295 2.444 20 5 EEBDRM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC000194741075 1211261554 /nfs/dbraw/zinc/26/15/54/1211261554.db2.gz HWNQJBUYZYQZOT-UHFFFAOYSA-N -1 0 346.299 2.051 20 5 EEBDRM CC(F)(F)CCC(=O)NCC1(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001110395255 1279600011 /nfs/dbraw/zinc/60/00/11/1279600011.db2.gz BEZJNDNMYNUKNA-UHFFFAOYSA-N -1 0 344.318 2.192 20 5 EEBDRM Cn1[n-]c(C(=O)Nc2cc3nc4ccccc4nc3cc2N)cc1=O ZINC001194202306 1282941490 /nfs/dbraw/zinc/94/14/90/1282941490.db2.gz ZVWCBCPBSARTRK-UHFFFAOYSA-N -1 0 334.339 2.057 20 5 EEBDRM O=C(NCc1cccc2c1OCCO2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780465631 1293532509 /nfs/dbraw/zinc/53/25/09/1293532509.db2.gz LSVFXKDZOXCFBI-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM CCC1(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000176761812 1296140943 /nfs/dbraw/zinc/14/09/43/1296140943.db2.gz DTHVPRRWBWGUBG-UHFFFAOYSA-N -1 0 326.374 2.370 20 5 EEBDRM O=[N+]([O-])c1cccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1[O-] ZINC001216702659 1297261249 /nfs/dbraw/zinc/26/12/49/1297261249.db2.gz ZVCVRRZTPSSACJ-UHFFFAOYSA-N -1 0 347.218 2.460 20 5 EEBDRM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228602991 1302332148 /nfs/dbraw/zinc/33/21/48/1302332148.db2.gz HTLKNHDZODNKRX-ZJUUUORDSA-N -1 0 337.332 2.078 20 5 EEBDRM CCOC(=O)[C@H]1CC[C@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228609303 1302335516 /nfs/dbraw/zinc/33/55/16/1302335516.db2.gz CHNANCHKADZCNL-UWVGGRQHSA-N -1 0 337.332 2.078 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)C2CCOCC2)cc1[O-] ZINC001228809831 1302459872 /nfs/dbraw/zinc/45/98/72/1302459872.db2.gz HVCRGLHFOGLPMN-VIFPVBQESA-N -1 0 325.317 2.281 20 5 EEBDRM Cc1nc(O[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229382354 1302756153 /nfs/dbraw/zinc/75/61/53/1302756153.db2.gz SGIZFVGOZSBODF-CYBMUJFWSA-N -1 0 330.344 2.447 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000782262063 1304012316 /nfs/dbraw/zinc/01/23/16/1304012316.db2.gz WEEDLJCPFOCZFX-UHFFFAOYSA-N -1 0 340.288 2.263 20 5 EEBDRM CN(CC1=CCSC1)c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001121298788 1309973547 /nfs/dbraw/zinc/97/35/47/1309973547.db2.gz IOQMMVBTSVZHIY-UHFFFAOYSA-N -1 0 347.400 2.205 20 5 EEBDRM Cn1cc2c(n1)CCC[C@@H]2C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837703197 1315104368 /nfs/dbraw/zinc/10/43/68/1315104368.db2.gz DTABZBOLFUZGFH-LBPRGKRZSA-N -1 0 331.328 2.197 20 5 EEBDRM CCC(CC)C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842406106 1315698462 /nfs/dbraw/zinc/69/84/62/1315698462.db2.gz QGZIXKAQEHYPPQ-UHFFFAOYSA-N -1 0 328.390 2.285 20 5 EEBDRM NCc1nccnc1[N-]c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001160246418 1320110812 /nfs/dbraw/zinc/11/08/12/1320110812.db2.gz QZRNPGXNYIMRTA-UHFFFAOYSA-N -1 0 331.723 2.184 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001608493793 1351703948 /nfs/dbraw/zinc/70/39/48/1351703948.db2.gz MRUYPOMCMHDVAO-HVSQXUEJSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])c1cnc(NCCCO[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001602532245 1350540408 /nfs/dbraw/zinc/54/04/08/1350540408.db2.gz NTYLCPWNKKTQTR-GFCCVEGCSA-N -1 0 325.321 2.033 20 5 EEBDRM CC(C)(CCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)[N+](=O)[O-] ZINC001603591692 1350725994 /nfs/dbraw/zinc/72/59/94/1350725994.db2.gz PBXXVJGKAMKAQL-FRRDWIJNSA-N -1 0 326.393 2.314 20 5 EEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001608600224 1351724065 /nfs/dbraw/zinc/72/40/65/1351724065.db2.gz XKQHEEMRCWWTJY-YHAQOWFVSA-N -1 0 343.339 2.401 20 5 EEBDRM O=C([O-])C[C@@H](O)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001608676754 1351739834 /nfs/dbraw/zinc/73/98/34/1351739834.db2.gz AKJRGQPPGRKBGK-CYBMUJFWSA-N -1 0 344.323 2.073 20 5 EEBDRM O=C([O-])CCCCCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1F ZINC001608712783 1351747161 /nfs/dbraw/zinc/74/71/61/1351747161.db2.gz RZDIAEOOCBPYAO-UHFFFAOYSA-N -1 0 335.309 2.088 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2c3c(ccc2F)OCO3)cc([N+](=O)[O-])c1 ZINC001608837175 1351775167 /nfs/dbraw/zinc/77/51/67/1351775167.db2.gz HPUXSQRIDFVLOC-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001318447910 1332539188 /nfs/dbraw/zinc/53/91/88/1332539188.db2.gz FDRVNPFSHTYENL-JTQLQIEISA-N -1 0 343.405 2.132 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cn1 ZINC001608902930 1351790513 /nfs/dbraw/zinc/79/05/13/1351790513.db2.gz ROJUFOCNWXWARS-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2nccn2CC(F)F)c1 ZINC001608915683 1351793348 /nfs/dbraw/zinc/79/33/48/1351793348.db2.gz LTCADFONLQAIGI-UHFFFAOYSA-N -1 0 327.243 2.334 20 5 EEBDRM O=C([O-])c1csc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC001608993650 1351810242 /nfs/dbraw/zinc/81/02/42/1351810242.db2.gz DLKFCIBYERNZEQ-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC001326269543 1334056508 /nfs/dbraw/zinc/05/65/08/1334056508.db2.gz NOJAEVTXUJONMH-UHFFFAOYSA-N -1 0 349.368 2.096 20 5 EEBDRM CC(=O)c1ccc(OCC(=O)c2cc(C(=O)[O-])co2)c([N+](=O)[O-])c1 ZINC001609629523 1352045952 /nfs/dbraw/zinc/04/59/52/1352045952.db2.gz RPLAAXWVDLGHGN-UHFFFAOYSA-N -1 0 333.252 2.350 20 5 EEBDRM C[C@@H](C(=O)Nc1cccc(CC(=O)[O-])n1)c1ccc([N+](=O)[O-])cc1F ZINC001609637996 1352047290 /nfs/dbraw/zinc/04/72/90/1352047290.db2.gz VQWTWFKKDDKYHY-SECBINFHSA-N -1 0 347.302 2.498 20 5 EEBDRM CC(C)(C)C(C)(C)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001609654413 1352051245 /nfs/dbraw/zinc/05/12/45/1352051245.db2.gz TXVGIXCICROVQP-UHFFFAOYSA-N -1 0 344.389 2.396 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccn1 ZINC001609728443 1352070794 /nfs/dbraw/zinc/07/07/94/1352070794.db2.gz HLNPRBWDPZVHJN-INIZCTEOSA-N -1 0 347.302 2.249 20 5 EEBDRM C[C@H]1CC[C@@H](CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])O1 ZINC001609847950 1352100486 /nfs/dbraw/zinc/10/04/86/1352100486.db2.gz OYVPVLRVWJICQL-CBAPKCEASA-N -1 0 325.277 2.181 20 5 EEBDRM C[C@H]1CCC[C@H](N(C)c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001609849408 1352101202 /nfs/dbraw/zinc/10/12/02/1352101202.db2.gz FGYRQXWLRQMIFA-AAEUAGOBSA-N -1 0 349.387 2.424 20 5 EEBDRM C[C@H]1COCC[C@@H]1CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001609879553 1352109965 /nfs/dbraw/zinc/10/99/65/1352109965.db2.gz XYPHPUDXBLCVPL-DTWKUNHWSA-N -1 0 339.304 2.286 20 5 EEBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1CC(=O)[O-] ZINC001610424914 1352220645 /nfs/dbraw/zinc/22/06/45/1352220645.db2.gz MNZIFFNDWCHDNH-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1ccc(C(=O)N2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc1[N+](=O)[O-] ZINC001610484082 1352230553 /nfs/dbraw/zinc/23/05/53/1352230553.db2.gz PKIFURSYIZZFDU-QPKOPYBWSA-N -1 0 348.355 2.138 20 5 EEBDRM Cn1c(Sc2nc(C(=O)[O-])ccc2[N+](=O)[O-])nnc1-c1ccco1 ZINC001610599479 1352251935 /nfs/dbraw/zinc/25/19/35/1352251935.db2.gz ZQBCOWSBRIKHMR-UHFFFAOYSA-N -1 0 347.312 2.228 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2nnc(C(F)F)s2)cc([N+](=O)[O-])c1 ZINC001610811336 1352278992 /nfs/dbraw/zinc/27/89/92/1352278992.db2.gz ZQBNBSKIMQYNMD-UHFFFAOYSA-N -1 0 344.255 2.334 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)o1 ZINC001610880261 1352289642 /nfs/dbraw/zinc/28/96/42/1352289642.db2.gz DWVNJDZMHSTXOD-UHFFFAOYSA-N -1 0 349.280 2.248 20 5 EEBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC12CCC2 ZINC001590273847 1349242817 /nfs/dbraw/zinc/24/28/17/1349242817.db2.gz AVKGUDQFWSQRJV-SNVBAGLBSA-N -1 0 343.391 2.374 20 5 EEBDRM O=c1c(-c2nnn[n-]2)cn(CC2CCCC2)c2ccc([N+](=O)[O-])cc12 ZINC001593495407 1349819403 /nfs/dbraw/zinc/81/94/03/1349819403.db2.gz ZANGEJFOYYZZKQ-UHFFFAOYSA-N -1 0 340.343 2.280 20 5 EEBDRM CC[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(=O)[O-] ZINC001593622240 1349870879 /nfs/dbraw/zinc/87/08/79/1349870879.db2.gz AAQQRVRHXSRTGM-LBPRGKRZSA-N -1 0 329.312 2.250 20 5 EEBDRM Cc1cc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])oc1C(=O)[O-] ZINC001600201485 1349991369 /nfs/dbraw/zinc/99/13/69/1349991369.db2.gz GBGCAGQMCLMNBW-UHFFFAOYSA-N -1 0 340.238 2.403 20 5 EEBDRM Cc1cc(COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)oc1C(=O)[O-] ZINC001600212774 1349994594 /nfs/dbraw/zinc/99/45/94/1349994594.db2.gz ZETCSMKZPZYJAH-UHFFFAOYSA-N -1 0 349.251 2.280 20 5 EEBDRM Cc1cc(N2CCO[C@@H](C(F)(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600241203 1350000161 /nfs/dbraw/zinc/00/01/61/1350000161.db2.gz ZAQAYWXXIRTYHL-LLVKDONJSA-N -1 0 334.250 2.369 20 5 EEBDRM Cc1c(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cnn1CC(=O)[O-] ZINC001600272109 1350007926 /nfs/dbraw/zinc/00/79/26/1350007926.db2.gz ILIMKULPKNNWNC-UHFFFAOYSA-N -1 0 333.304 2.137 20 5 EEBDRM Cc1cc(S(=O)(=O)N(C)C(C)(C)CC(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC001600294278 1350013308 /nfs/dbraw/zinc/01/33/08/1350013308.db2.gz XRIPRZMAUNNYSD-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001600304126 1350015441 /nfs/dbraw/zinc/01/54/41/1350015441.db2.gz FUZRUDJCCNCMFZ-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001600471478 1350059747 /nfs/dbraw/zinc/05/97/47/1350059747.db2.gz GTGQCMZDOCOCHE-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)c1C ZINC001600487051 1350063333 /nfs/dbraw/zinc/06/33/33/1350063333.db2.gz OHVHRJHWRIHOGD-CQSZACIVSA-N -1 0 329.312 2.162 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001600487654 1350063471 /nfs/dbraw/zinc/06/34/71/1350063471.db2.gz JJYYAZFJCLXGNH-AWEZNQCLSA-N -1 0 330.296 2.165 20 5 EEBDRM Cc1cccn2cc(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])nc12 ZINC001600590603 1350092031 /nfs/dbraw/zinc/09/20/31/1350092031.db2.gz ZZMSUCJEHSWQCK-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM Cc1cccn2cc(CCNc3nccc(C(=O)[O-])c3[N+](=O)[O-])nc12 ZINC001600590320 1350092048 /nfs/dbraw/zinc/09/20/48/1350092048.db2.gz OGEBBSLXXOWHMG-UHFFFAOYSA-N -1 0 341.327 2.299 20 5 EEBDRM Cc1cncc([N+](=O)[O-])c1NC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001600628532 1350101930 /nfs/dbraw/zinc/10/19/30/1350101930.db2.gz YAINIILKHWFQAO-UHFFFAOYSA-N -1 0 336.348 2.019 20 5 EEBDRM Cc1sc(C(=O)O[C@H](C)C(=O)C(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001600873951 1350157514 /nfs/dbraw/zinc/15/75/14/1350157514.db2.gz IYQHAJQBFKRYDY-ZCFIWIBFSA-N -1 0 329.330 2.190 20 5 EEBDRM Cn1cc(-c2cc(COc3ccc(C(=O)[O-])cc3[N+](=O)[O-])on2)cn1 ZINC001600923445 1350169384 /nfs/dbraw/zinc/16/93/84/1350169384.db2.gz FOYGQTBRDBPEPS-UHFFFAOYSA-N -1 0 344.283 2.261 20 5 EEBDRM NC(=NOCCOc1ccccc1[N+](=O)[O-])c1cccc(C(=O)[O-])c1 ZINC001601136816 1350218720 /nfs/dbraw/zinc/21/87/20/1350218720.db2.gz IGTLXAGMAISFGC-UHFFFAOYSA-N -1 0 345.311 2.219 20 5 EEBDRM Nc1ccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC001601215130 1350233170 /nfs/dbraw/zinc/23/31/70/1350233170.db2.gz XCVKYEXRKDPLEE-UHFFFAOYSA-N -1 0 335.360 2.332 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001601365740 1350267746 /nfs/dbraw/zinc/26/77/46/1350267746.db2.gz ZYCGYIMCKIMVRH-CQSZACIVSA-N -1 0 346.314 2.089 20 5 EEBDRM O=C([O-])c1c2c(sc1NC(=O)c1ccc([N+](=O)[O-])cn1)COCC2 ZINC001601637180 1350325404 /nfs/dbraw/zinc/32/54/04/1350325404.db2.gz NOMLLQRZRCLQPS-UHFFFAOYSA-N -1 0 349.324 2.075 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC001601649045 1350327966 /nfs/dbraw/zinc/32/79/66/1350327966.db2.gz GPUHPSAXAJYHSN-QEJZJMRPSA-N -1 0 332.356 2.315 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@H]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC001601809109 1350369373 /nfs/dbraw/zinc/36/93/73/1350369373.db2.gz PQJBVUXVWLGIHC-QWRGUYRKSA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCc2cnc3n2CCC3)c([N+](=O)[O-])c1 ZINC001601883032 1350390073 /nfs/dbraw/zinc/39/00/73/1350390073.db2.gz OAEJESSAAKUSGB-XQRVVYSFSA-N -1 0 328.328 2.447 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001601950213 1350404234 /nfs/dbraw/zinc/40/42/34/1350404234.db2.gz LOQSULFYKAQOTB-SECBINFHSA-N -1 0 344.726 2.396 20 5 EEBDRM O=C([O-])Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001602130468 1350446258 /nfs/dbraw/zinc/44/62/58/1350446258.db2.gz VDOPDKMHJJBQRV-UHFFFAOYSA-N -1 0 343.338 2.051 20 5 EEBDRM O=C([O-])[C@]12CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]1COCC2 ZINC001602208534 1350465940 /nfs/dbraw/zinc/46/59/40/1350465940.db2.gz WBDYIPCXKCIPEI-APPDUMDISA-N -1 0 343.339 2.071 20 5 EEBDRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001602212763 1350467406 /nfs/dbraw/zinc/46/74/06/1350467406.db2.gz VFNSLXIWCKTBFZ-HAQNSBGRSA-N -1 0 348.355 2.075 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H]2CCc3ccc(O)cc32)cc([N+](=O)[O-])c1 ZINC001602246516 1350475632 /nfs/dbraw/zinc/47/56/32/1350475632.db2.gz CSRWSOUGPIRPOR-HNNXBMFYSA-N -1 0 342.307 2.416 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@H](O)C(F)(F)C2)cc1Cl ZINC001602298678 1350487885 /nfs/dbraw/zinc/48/78/85/1350487885.db2.gz DRJANQAQJWLBTP-JTQLQIEISA-N -1 0 336.678 2.153 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2cc(F)cc3cccnc32)c1 ZINC001602299203 1350488247 /nfs/dbraw/zinc/48/82/47/1350488247.db2.gz LZKLNDFCFXYGLG-UHFFFAOYSA-N -1 0 343.270 2.190 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3cccnc3)C2)n1 ZINC001602403770 1350511614 /nfs/dbraw/zinc/51/16/14/1350511614.db2.gz RMGNBPSRWWOBRA-GFCCVEGCSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC001602479855 1350528667 /nfs/dbraw/zinc/52/86/67/1350528667.db2.gz VLJJJSZBCJWUAP-LBPRGKRZSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1coc(S(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])c1 ZINC001602559407 1350546418 /nfs/dbraw/zinc/54/64/18/1350546418.db2.gz NYWRIPWNWSNONE-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM CCC[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C(=O)OCC ZINC001604143388 1350872652 /nfs/dbraw/zinc/87/26/52/1350872652.db2.gz FOPODMWBVRCMJV-JTQLQIEISA-N -1 0 348.363 2.166 20 5 EEBDRM C[C@@H](Cc1ccccn1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001604234514 1350899829 /nfs/dbraw/zinc/89/98/29/1350899829.db2.gz QWAXVUGIAQSBQI-JTQLQIEISA-N -1 0 329.312 2.049 20 5 EEBDRM C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001604272019 1350906740 /nfs/dbraw/zinc/90/67/40/1350906740.db2.gz XBZIQFGEVYQTRD-LLVKDONJSA-N -1 0 338.360 2.163 20 5 EEBDRM C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)C(C)(C)C(=O)[O-] ZINC001604408566 1350931826 /nfs/dbraw/zinc/93/18/26/1350931826.db2.gz FFFPFIGUXXUUTN-LURJTMIESA-N -1 0 345.254 2.098 20 5 EEBDRM CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC001605300055 1351129677 /nfs/dbraw/zinc/12/96/77/1351129677.db2.gz QVYMKTDKROOTGS-VIFPVBQESA-N -1 0 339.304 2.137 20 5 EEBDRM CCOC(=O)[C@H](C)N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC001605507957 1351173932 /nfs/dbraw/zinc/17/39/32/1351173932.db2.gz KCRYVIPVPLFVEI-JTQLQIEISA-N -1 0 336.344 2.209 20 5 EEBDRM COC(=O)c1cc(COc2ncc(C)cc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001606543347 1351319980 /nfs/dbraw/zinc/31/99/80/1351319980.db2.gz IMASHDAASAHSBL-UHFFFAOYSA-N -1 0 346.295 2.362 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cccc(C(=O)[O-])c2)n1 ZINC001606605909 1351331169 /nfs/dbraw/zinc/33/11/69/1351331169.db2.gz QOTBIICSAQTZGE-UHFFFAOYSA-N -1 0 345.311 2.129 20 5 EEBDRM COC(=O)c1cncc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC001606628990 1351334263 /nfs/dbraw/zinc/33/42/63/1351334263.db2.gz CZNDQLCHEZKILX-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM CO[C@](C)([C@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC001606658385 1351338329 /nfs/dbraw/zinc/33/83/29/1351338329.db2.gz OSUNBOKXAMIIKB-XXFAHNHDSA-N -1 0 336.344 2.226 20 5 EEBDRM COC[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC001606817988 1351360021 /nfs/dbraw/zinc/36/00/21/1351360021.db2.gz IDDBQYKQOHNJKC-HSRYQADGSA-N -1 0 336.344 2.299 20 5 EEBDRM COc1ccc(NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001607272747 1351462671 /nfs/dbraw/zinc/46/26/71/1351462671.db2.gz AICABHBACKIXAC-VFZGTOFNSA-N -1 0 337.332 2.178 20 5 EEBDRM COc1cccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001607304419 1351469205 /nfs/dbraw/zinc/46/92/05/1351469205.db2.gz AADCJGQMNYJKCT-BDJLRTHQSA-N -1 0 336.344 2.367 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](CCC(C)(C)C)C(N)=O)n1 ZINC001607589520 1351520571 /nfs/dbraw/zinc/52/05/71/1351520571.db2.gz ZWSJFLBAWIYYNI-JTQLQIEISA-N -1 0 338.364 2.089 20 5 EEBDRM Cc1ccc(CN(CCO)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])o1 ZINC001607778310 1351556870 /nfs/dbraw/zinc/55/68/70/1351556870.db2.gz SKAXXHOHBMYHER-UHFFFAOYSA-N -1 0 334.328 2.189 20 5 EEBDRM Cc1ccc(O[C@@H]2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C2)nc1 ZINC001607812208 1351564019 /nfs/dbraw/zinc/56/40/19/1351564019.db2.gz WUAQTEKVNBVJCY-LLVKDONJSA-N -1 0 344.327 2.049 20 5 EEBDRM Cc1cccc(CNC(=O)COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001607852562 1351571984 /nfs/dbraw/zinc/57/19/84/1351571984.db2.gz NVGRAOSQOOBBPL-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1nccnc1[C@@H](C)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001607990866 1351599444 /nfs/dbraw/zinc/59/94/44/1351599444.db2.gz HZABQQRZUXYRRE-LLVKDONJSA-N -1 0 346.343 2.007 20 5 EEBDRM O=C([O-])c1ccccc1NC(=O)CN1CCc2ccc([N+](=O)[O-])cc21 ZINC001608334953 1351673158 /nfs/dbraw/zinc/67/31/58/1351673158.db2.gz ITGGQWBVNRIRKE-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM C[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000111572139 1369376628 /nfs/dbraw/zinc/37/66/28/1369376628.db2.gz ZNTXYGLHBMSXPV-JTQLQIEISA-N -1 0 338.323 2.322 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C12CCC(CC1)C2 ZINC000784835503 1371446496 /nfs/dbraw/zinc/44/64/96/1371446496.db2.gz QBOFKUUJWBLIRU-UHFFFAOYSA-N -1 0 342.348 2.119 20 5 EEBDRM Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001121403308 1371877153 /nfs/dbraw/zinc/87/71/53/1371877153.db2.gz DDIHWJAUWPXJFC-GFCCVEGCSA-N -1 0 329.360 2.332 20 5 EEBDRM CN(CC(=O)O[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001606088611 1404766476 /nfs/dbraw/zinc/76/64/76/1404766476.db2.gz BBUXJRZWHJCMAG-NEPJUHHUSA-N -1 0 336.344 2.218 20 5 EEBDRM O=C(CCC1CCC1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000175079434 773447753 /nfs/dbraw/zinc/44/77/53/773447753.db2.gz SWNALKZXAQVVGJ-UHFFFAOYSA-N -1 0 326.374 2.121 20 5 EEBDRM Cc1cc(C)n2nc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)nc2n1 ZINC000066960828 774973556 /nfs/dbraw/zinc/97/35/56/774973556.db2.gz JQAJRNRQKMPQFV-UHFFFAOYSA-N -1 0 348.269 2.180 20 5 EEBDRM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1C ZINC000112160916 775486778 /nfs/dbraw/zinc/48/67/78/775486778.db2.gz PPBZVFMOQNVSJL-UHFFFAOYSA-N -1 0 344.370 2.293 20 5 EEBDRM C[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccc(Br)nc1 ZINC001226331989 781449917 /nfs/dbraw/zinc/44/99/17/781449917.db2.gz QVWQRIYRDICQGJ-ZCFIWIBFSA-N -1 0 341.121 2.388 20 5 EEBDRM C[C@@H](OC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824723650 788288081 /nfs/dbraw/zinc/28/80/81/788288081.db2.gz TWBKMEHUFGQGDR-MRVPVSSYSA-N -1 0 328.288 2.021 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCOC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000844217750 788906564 /nfs/dbraw/zinc/90/65/64/788906564.db2.gz LYRHABHRMVHOBB-CQSZACIVSA-N -1 0 334.372 2.475 20 5 EEBDRM CCC(=O)c1ccc(N2CCSC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000844218431 788908815 /nfs/dbraw/zinc/90/88/15/788908815.db2.gz NUZVHDGKSBLCNE-NSHDSACASA-N -1 0 338.385 2.442 20 5 EEBDRM Cc1cc(C)cc([C@@H](O)CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000844212871 788930835 /nfs/dbraw/zinc/93/08/35/788930835.db2.gz OJPKLMDRKNBEKG-ZDUSSCGKSA-N -1 0 331.328 2.450 20 5 EEBDRM Cc1nc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])ccc1[C@H](C)O ZINC000844215147 788933010 /nfs/dbraw/zinc/93/30/10/788933010.db2.gz YZYOWBKVXPERNK-VIFPVBQESA-N -1 0 332.316 2.057 20 5 EEBDRM CCOC1CC(O)(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844214838 788933426 /nfs/dbraw/zinc/93/34/26/788933426.db2.gz WAYJEMYIBQPQMK-GQCTYLIASA-N -1 0 336.344 2.035 20 5 EEBDRM NC(=O)c1ncc(Cl)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176674203 798523389 /nfs/dbraw/zinc/52/33/89/798523389.db2.gz GVHQODPOCPAGBB-UHFFFAOYSA-N -1 0 336.691 2.184 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc(N3CC[C@H](O)C3)nc2)cc([N+](=O)[O-])c1 ZINC001176677808 798525348 /nfs/dbraw/zinc/52/53/48/798525348.db2.gz AVVFSINNBDYDSV-AWEZNQCLSA-N -1 0 344.327 2.003 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c(F)c1 ZINC000790386302 808646375 /nfs/dbraw/zinc/64/63/75/808646375.db2.gz MJYMCLKUBAPNOJ-UHFFFAOYSA-N -1 0 341.320 2.126 20 5 EEBDRM O=C1OCc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000808125434 812444780 /nfs/dbraw/zinc/44/47/80/812444780.db2.gz YUQOVJGEUTVCRA-UHFFFAOYSA-N -1 0 334.309 2.066 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000346001763 939128414 /nfs/dbraw/zinc/12/84/14/939128414.db2.gz VTDPQGNHNHCFOD-OAHLLOKOSA-N -1 0 344.323 2.468 20 5 EEBDRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccnc2)cc1[N+](=O)[O-] ZINC000797734346 939197393 /nfs/dbraw/zinc/19/73/93/939197393.db2.gz QVDOWDJILZUAEX-ZDUSSCGKSA-N -1 0 330.300 2.246 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001589660149 949860453 /nfs/dbraw/zinc/86/04/53/949860453.db2.gz DRQGANZFAIFJMG-UHFFFAOYSA-N -1 0 326.324 2.335 20 5 EEBDRM CCOc1cc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001592211307 951314087 /nfs/dbraw/zinc/31/40/87/951314087.db2.gz NVEJGMAZLDEGPM-SNVBAGLBSA-N -1 0 337.332 2.322 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC001589282270 953532154 /nfs/dbraw/zinc/53/21/54/953532154.db2.gz OMJVIADPDDXBBP-QWRGUYRKSA-N -1 0 347.371 2.034 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001589303997 953720371 /nfs/dbraw/zinc/72/03/71/953720371.db2.gz KQJVZHNYCBVXNK-DTWKUNHWSA-N -1 0 325.296 2.451 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001589000908 955322912 /nfs/dbraw/zinc/32/29/12/955322912.db2.gz GVXSPYARFKORIR-ZETCQYMHSA-N -1 0 349.265 2.276 20 5 EEBDRM CC(C)C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001603032403 972093662 /nfs/dbraw/zinc/09/36/62/972093662.db2.gz IJGUPEXACOPGTG-NOZJJQNGSA-N -1 0 326.324 2.453 20 5 EEBDRM COC(=O)Cc1ccc(N2CCC[C@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000841505213 955586497 /nfs/dbraw/zinc/58/64/97/955586497.db2.gz CARJOWLNXLVWRQ-GFCCVEGCSA-N -1 0 336.344 2.001 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000843334413 955639409 /nfs/dbraw/zinc/63/94/09/955639409.db2.gz JFPWBSGBKURFSB-PSASIEDQSA-N -1 0 326.736 2.431 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001593967305 956569235 /nfs/dbraw/zinc/56/92/35/956569235.db2.gz HOULICXFDIGNRH-MRXNPFEDSA-N -1 0 349.318 2.210 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])nc1 ZINC001594703007 956823928 /nfs/dbraw/zinc/82/39/28/956823928.db2.gz WXNGGVZPHPESGC-UHFFFAOYSA-N -1 0 333.325 2.419 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000093433723 958245373 /nfs/dbraw/zinc/24/53/73/958245373.db2.gz OIFPWTXJKOXIPM-SVRRBLITSA-N -1 0 330.138 2.052 20 5 EEBDRM Cc1cc(N[C@@H]2CCN(c3cnn(C)c3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001261502906 960737217 /nfs/dbraw/zinc/73/72/17/960737217.db2.gz DEURIEHKEHBTCG-LLVKDONJSA-N -1 0 345.359 2.026 20 5 EEBDRM Cc1cc(NC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001574338205 960921340 /nfs/dbraw/zinc/92/13/40/960921340.db2.gz GPXXUEHFERZUKB-ZDUSSCGKSA-N -1 0 344.327 2.116 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001574381954 961109198 /nfs/dbraw/zinc/10/91/98/961109198.db2.gz KGSNPSJUHPODED-UHFFFAOYSA-N -1 0 345.311 2.404 20 5 EEBDRM CCc1cc(NC(=O)[C@@H](C(=O)[O-])C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001573952375 961648284 /nfs/dbraw/zinc/64/82/84/961648284.db2.gz IUUDKLFQDYMDCK-HNNXBMFYSA-N -1 0 343.339 2.177 20 5 EEBDRM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(=O)[O-])nn1C ZINC001588927665 962434046 /nfs/dbraw/zinc/43/40/46/962434046.db2.gz BEYUBBXODSPQPN-UHFFFAOYSA-N -1 0 347.331 2.099 20 5 EEBDRM O=C([O-])CCCC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001574697325 962666493 /nfs/dbraw/zinc/66/64/93/962666493.db2.gz FSKKNMBGIFSJGL-UHFFFAOYSA-N -1 0 345.149 2.228 20 5 EEBDRM CC(C)Oc1cc(C(=O)Nc2nn(C)cc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591751479 975806322 /nfs/dbraw/zinc/80/63/22/975806322.db2.gz SFUNZTOHQUHIKU-UHFFFAOYSA-N -1 0 348.315 2.066 20 5 EEBDRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001592192152 977140848 /nfs/dbraw/zinc/14/08/48/977140848.db2.gz DWUIMPBNKWFPNM-UCOPNCLCSA-N -1 0 342.735 2.161 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843339329 979342336 /nfs/dbraw/zinc/34/23/36/979342336.db2.gz LWWXYMWXXNHANH-APPZFPTMSA-N -1 0 344.726 2.299 20 5 EEBDRM CCC(CC)(NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC001595101436 979407947 /nfs/dbraw/zinc/40/79/47/979407947.db2.gz MATQGISAHGDBRG-UHFFFAOYSA-N -1 0 334.332 2.378 20 5 EEBDRM CC[C@@](CNC(=O)c1ccc([N+](=O)[O-])n1C)(C(=O)[O-])c1ccccc1 ZINC001595164000 979704556 /nfs/dbraw/zinc/70/45/56/979704556.db2.gz HYMPMNQIHIJJBO-KRWDZBQOSA-N -1 0 345.355 2.096 20 5 EEBDRM C[C@@](NC(=O)[C@H]1CCCSC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593007261 980225161 /nfs/dbraw/zinc/22/51/61/980225161.db2.gz PLVJEXAMIUTOEH-BONVTDFDSA-N -1 0 338.385 2.154 20 5 EEBDRM CCNc1ccc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1[N+](=O)[O-] ZINC001596501070 984252476 /nfs/dbraw/zinc/25/24/76/984252476.db2.gz ASUBMSQOAICGMM-BZNIZROVSA-N -1 0 333.344 2.106 20 5 EEBDRM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC001594583265 986448258 /nfs/dbraw/zinc/44/82/58/986448258.db2.gz FPVWIHPRGGHGPO-XCBNKYQSSA-N -1 0 349.265 2.234 20 5 EEBDRM C[C@H](C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC001589444594 986800627 /nfs/dbraw/zinc/80/06/27/986800627.db2.gz NPCSZMNONRCIBY-JTQLQIEISA-N -1 0 346.343 2.353 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001597163970 986977838 /nfs/dbraw/zinc/97/78/38/986977838.db2.gz TVJWHQJUXMFZOC-UHFFFAOYSA-N -1 0 337.313 2.401 20 5 EEBDRM CSCc1nc(CNc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC001599804717 988235799 /nfs/dbraw/zinc/23/57/99/988235799.db2.gz APDSUQHAJPWWHH-HYXAFXHYSA-N -1 0 349.372 2.286 20 5 EEBDRM CC(C)(C)NC(=O)[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001589824363 988287057 /nfs/dbraw/zinc/28/70/57/988287057.db2.gz BBQVGJCKPBYMEI-CQSZACIVSA-N -1 0 349.387 2.172 20 5 EEBDRM CC(C)(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nocc1C(=O)[O-] ZINC001590875111 990787254 /nfs/dbraw/zinc/78/72/54/990787254.db2.gz TYDOGXYMUDDIJX-UHFFFAOYSA-N -1 0 345.315 2.182 20 5 EEBDRM COc1ccnc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1F ZINC001599720896 991535677 /nfs/dbraw/zinc/53/56/77/991535677.db2.gz RSFMCCAKDRRVCM-UHFFFAOYSA-N -1 0 335.291 2.377 20 5 EEBDRM CC(C)COC[C@H](O)CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001591390384 992442907 /nfs/dbraw/zinc/44/29/07/992442907.db2.gz VFWSMJPBJJMTRX-SNVBAGLBSA-N -1 0 346.767 2.392 20 5 EEBDRM C[C@](NC(=O)c1ccc(Cl)nc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593164026 994004488 /nfs/dbraw/zinc/00/44/88/994004488.db2.gz WCKFACKIOYEXHB-OAHLLOKOSA-N -1 0 349.730 2.373 20 5 EEBDRM CC(C)[C@@H](C)N(C)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001593169359 994020377 /nfs/dbraw/zinc/02/03/77/994020377.db2.gz YUOAUQZOFNCAGT-GHMZBOCLSA-N -1 0 337.376 2.278 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(CC(=O)[O-])cc2)c1 ZINC001599622264 994100183 /nfs/dbraw/zinc/10/01/83/994100183.db2.gz VCEZSFGVCDOOCK-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM C[C@](O)(CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC001593417665 995207002 /nfs/dbraw/zinc/20/70/02/995207002.db2.gz YLJHDNHBJJIFJJ-HNNXBMFYSA-N -1 0 335.291 2.147 20 5 EEBDRM C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)C(C)(C)C(=O)[O-] ZINC001593564564 995657067 /nfs/dbraw/zinc/65/70/67/995657067.db2.gz IHWMZCGMTMMJIV-QMMMGPOBSA-N -1 0 348.311 2.301 20 5 EEBDRM C[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)C(C)(C)C(=O)[O-] ZINC001593565609 995661236 /nfs/dbraw/zinc/66/12/36/995661236.db2.gz RYCIFQJDVFYORU-SSDOTTSWSA-N -1 0 343.719 2.473 20 5 EEBDRM COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCc1ccccc1C(=O)[O-] ZINC001599427139 997695423 /nfs/dbraw/zinc/69/54/23/997695423.db2.gz CJPSLBPWLPKTSL-UHFFFAOYSA-N -1 0 346.295 2.241 20 5 EEBDRM C[C@@H]1[C@H](C)[S@](=O)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001594179938 998698024 /nfs/dbraw/zinc/69/80/24/998698024.db2.gz TVISJSFRBUIZIF-OZDLCJKSSA-N -1 0 346.792 2.292 20 5 EEBDRM C[C@H]1CN(c2nnc(-c3cccc([O-])c3[N+](=O)[O-])n2C)CC(C)(C)O1 ZINC001526325448 1120502827 /nfs/dbraw/zinc/50/28/27/1120502827.db2.gz AMLLEQSKOLHLFY-JTQLQIEISA-N -1 0 347.375 2.100 20 5 EEBDRM O=C([N-]N1CCCCC1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000102641445 219217605 /nfs/dbraw/zinc/21/76/05/219217605.db2.gz KESYIZSNTYVLLW-UHFFFAOYSA-N -1 0 346.368 2.376 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000013036275 299246385 /nfs/dbraw/zinc/24/63/85/299246385.db2.gz SGFOFDGHIUFTJX-UTUOFQBUSA-N -1 0 349.387 2.280 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000191446638 239119747 /nfs/dbraw/zinc/11/97/47/239119747.db2.gz VTUVRUIPHQLBLR-SECBINFHSA-N -1 0 346.343 2.152 20 5 EEBDRM Cc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000193010036 239977010 /nfs/dbraw/zinc/97/70/10/239977010.db2.gz WGMZHLLMDHNNIS-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM O=C(NCCCCNc1ccccn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000133077584 223386208 /nfs/dbraw/zinc/38/62/08/223386208.db2.gz ZCUHKOLXWZFABJ-UHFFFAOYSA-N -1 0 330.344 2.318 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000262527848 245019936 /nfs/dbraw/zinc/01/99/36/245019936.db2.gz OBECXIHMAVBSCE-VHSXEESVSA-N -1 0 326.374 2.255 20 5 EEBDRM O=C(/C=C\C1CCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000492064742 246284638 /nfs/dbraw/zinc/28/46/38/246284638.db2.gz GJASLRGMVPQQOU-FPLPWBNLSA-N -1 0 344.776 2.409 20 5 EEBDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1C ZINC000266061385 248070558 /nfs/dbraw/zinc/07/05/58/248070558.db2.gz IYMRVFLQDKQYDX-UHFFFAOYSA-N -1 0 342.352 2.368 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC2Cc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000192924037 304222696 /nfs/dbraw/zinc/22/26/96/304222696.db2.gz KSZKKAPTHNXPEP-UHFFFAOYSA-N -1 0 326.308 2.190 20 5 EEBDRM C[C@@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000493846620 296362845 /nfs/dbraw/zinc/36/28/45/296362845.db2.gz OLTFRYKOJSPETP-ZIYGAXOASA-N -1 0 336.319 2.459 20 5 EEBDRM O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179439481 255924179 /nfs/dbraw/zinc/92/41/79/255924179.db2.gz CCOKQJKQHBPLDR-UHFFFAOYSA-N -1 0 343.274 2.273 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000273516820 256303257 /nfs/dbraw/zinc/30/32/57/256303257.db2.gz XVQHCQYDIBMTMP-UHFFFAOYSA-N -1 0 342.402 2.457 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC(C)C ZINC000356600028 141023753 /nfs/dbraw/zinc/02/37/53/141023753.db2.gz RUJHFSTVVZZBFV-CQSZACIVSA-N -1 0 338.360 2.397 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C(C)(C)C(=O)[O-] ZINC000262491369 152284199 /nfs/dbraw/zinc/28/41/99/152284199.db2.gz WNTHGSCCNNPPCD-SECBINFHSA-N -1 0 326.374 2.397 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263118969 152378893 /nfs/dbraw/zinc/37/88/93/152378893.db2.gz LTQLCLHXOCPZCK-ZJUUUORDSA-N -1 0 337.332 2.178 20 5 EEBDRM CC(=O)c1cc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000263537685 160470582 /nfs/dbraw/zinc/47/05/82/160470582.db2.gz ALHDGNQJFXRBAU-GHMZBOCLSA-N -1 0 346.261 2.497 20 5 EEBDRM CCC[C@@H](CCO)CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190033716 160153877 /nfs/dbraw/zinc/15/38/77/160153877.db2.gz IYOPDIXMFTYLTR-ZDUSSCGKSA-N -1 0 344.433 2.289 20 5 EEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000345680180 161322354 /nfs/dbraw/zinc/32/23/54/161322354.db2.gz YCRHJPOSMKIILX-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM COCC[C@H](Cc1ccco1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000345979656 161347391 /nfs/dbraw/zinc/34/73/91/161347391.db2.gz OUNSBDIFTPTVLB-GFCCVEGCSA-N -1 0 334.328 2.271 20 5 EEBDRM C[C@](CO)(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000360294100 164277917 /nfs/dbraw/zinc/27/79/17/164277917.db2.gz LVUSNBPDLWTKOI-GOSISDBHSA-N -1 0 344.367 2.272 20 5 EEBDRM Cc1ccc([C@H]2COCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000164682215 226094073 /nfs/dbraw/zinc/09/40/73/226094073.db2.gz ACRPQPJPVHOKKN-CYBMUJFWSA-N -1 0 332.312 2.416 20 5 EEBDRM CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274958313 269079731 /nfs/dbraw/zinc/07/97/31/269079731.db2.gz BEXAKJASDGFLKH-ZANVPECISA-N -1 0 344.389 2.023 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000290572742 275219340 /nfs/dbraw/zinc/21/93/40/275219340.db2.gz UKPCLTHGSQGYPV-ZDUSSCGKSA-N -1 0 328.390 2.468 20 5 EEBDRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293334118 293183265 /nfs/dbraw/zinc/18/32/65/293183265.db2.gz LYFVXCXZYPWEPM-QMMMGPOBSA-N -1 0 329.740 2.281 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000294465770 293461005 /nfs/dbraw/zinc/46/10/05/293461005.db2.gz CXUBMVVGGIKRBD-MNOVXSKESA-N -1 0 335.360 2.034 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000262672170 298204457 /nfs/dbraw/zinc/20/44/57/298204457.db2.gz XMJSFRPYOIGMFP-LLVKDONJSA-N -1 0 347.371 2.273 20 5 EEBDRM Cc1c(CNC(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000326372007 311603387 /nfs/dbraw/zinc/60/33/87/311603387.db2.gz JUDCFRGUQSGMCJ-HZMBPMFUSA-N -1 0 335.360 2.298 20 5 EEBDRM CC(=O)NCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436973366 315018403 /nfs/dbraw/zinc/01/84/03/315018403.db2.gz SAIXLSSQDSOVSQ-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM CCOC(=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(O)c1 ZINC000436973114 315018709 /nfs/dbraw/zinc/01/87/09/315018709.db2.gz RNKPLWPJTQIZEE-UHFFFAOYSA-N -1 0 346.295 2.435 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)C=Cc2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000492805236 315820625 /nfs/dbraw/zinc/82/06/25/315820625.db2.gz JACZGNQJZYSMBR-UCUJLANTSA-N -1 0 334.357 2.228 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(Cc2ccsc2)CC1 ZINC000534529811 317946984 /nfs/dbraw/zinc/94/69/84/317946984.db2.gz OIRKMSGYUCJPNE-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccc(O)c1 ZINC000536569881 318001432 /nfs/dbraw/zinc/00/14/32/318001432.db2.gz GQQMLLLOJKULBH-UHFFFAOYSA-N -1 0 338.341 2.140 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000537364114 318016667 /nfs/dbraw/zinc/01/66/67/318016667.db2.gz RLGSIXXOTSIEKK-UHFFFAOYSA-N -1 0 347.327 2.429 20 5 EEBDRM C[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])[C@H](C)C1 ZINC000563231313 318986974 /nfs/dbraw/zinc/98/69/74/318986974.db2.gz GOUIHSAFNZZUIS-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000565042510 319142633 /nfs/dbraw/zinc/14/26/33/319142633.db2.gz WZUJCXNYGCGABT-QGZVFWFLSA-N -1 0 344.371 2.352 20 5 EEBDRM COCc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc(C(=O)[O-])c1 ZINC000566891819 319329256 /nfs/dbraw/zinc/32/92/56/319329256.db2.gz JMXGAWHKUYGUSW-UHFFFAOYSA-N -1 0 333.300 2.030 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](CO)Cc2ccccc2)n1 ZINC000567355757 319372916 /nfs/dbraw/zinc/37/29/16/319372916.db2.gz NGWSBBOGMGZTGO-LBPRGKRZSA-N -1 0 331.328 2.012 20 5 EEBDRM CO[C@@H]([C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000567738628 319413827 /nfs/dbraw/zinc/41/38/27/319413827.db2.gz TVLFZCDCRIOXBI-UHLUBPPHSA-N -1 0 328.752 2.497 20 5 EEBDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000570775827 319695306 /nfs/dbraw/zinc/69/53/06/319695306.db2.gz VRLKJDJMMUOOFG-LLVKDONJSA-N -1 0 331.328 2.049 20 5 EEBDRM CO[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000573375355 319928939 /nfs/dbraw/zinc/92/89/39/319928939.db2.gz VWFFXHDACRBUNN-CYBMUJFWSA-N -1 0 331.328 2.358 20 5 EEBDRM COc1ccccc1CCN(C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000577637765 320267747 /nfs/dbraw/zinc/26/77/47/320267747.db2.gz DQXYYOQSOAWKGZ-UHFFFAOYSA-N -1 0 331.328 2.376 20 5 EEBDRM O=C(NC[C@H]1CCC[C@@H](CO)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000581191992 324204268 /nfs/dbraw/zinc/20/42/68/324204268.db2.gz HRBMHMSVJJAZDE-VHSXEESVSA-N -1 0 342.779 2.482 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC000583384161 324653165 /nfs/dbraw/zinc/65/31/65/324653165.db2.gz IXUGPWUNRWVOKZ-NSHDSACASA-N -1 0 331.332 2.034 20 5 EEBDRM COc1cc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)ccc1[N+](=O)[O-] ZINC000325608750 465029501 /nfs/dbraw/zinc/02/95/01/465029501.db2.gz BCNQGTUPMJWRLV-UHFFFAOYSA-N -1 0 334.284 2.133 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000328329151 465059076 /nfs/dbraw/zinc/05/90/76/465059076.db2.gz SFVDJIZCZHLGMX-CQSZACIVSA-N -1 0 344.323 2.029 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1C ZINC000060436785 462550532 /nfs/dbraw/zinc/55/05/32/462550532.db2.gz AQJOSATVRAORGM-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CCOC(=O)/C(=C/c1cc(OC)c([O-])c([N+](=O)[O-])c1)c1nccn1C ZINC000063413281 462644452 /nfs/dbraw/zinc/64/44/52/462644452.db2.gz SSDIQPHAQLZOKH-YRNVUSSQSA-N -1 0 347.327 2.146 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000066585628 462907988 /nfs/dbraw/zinc/90/79/88/462907988.db2.gz TWZTYEZPZZNFLV-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000016101224 462970314 /nfs/dbraw/zinc/97/03/14/462970314.db2.gz VLRQZLLXFDWTEQ-UHFFFAOYSA-N -1 0 341.276 2.443 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000016101090 462970618 /nfs/dbraw/zinc/97/06/18/462970618.db2.gz IYFUJHUVQSHYKN-UHFFFAOYSA-N -1 0 341.276 2.443 20 5 EEBDRM Cc1nn(C)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000107037463 463556135 /nfs/dbraw/zinc/55/61/35/463556135.db2.gz PCBMTPBMANRERN-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000178200020 463860110 /nfs/dbraw/zinc/86/01/10/463860110.db2.gz DBMXUBFCHIJVGC-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000194741032 463920543 /nfs/dbraw/zinc/92/05/43/463920543.db2.gz BSQMYLFEJPKNNE-UHFFFAOYSA-N -1 0 340.361 2.348 20 5 EEBDRM C[C@H]1C[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269487682 463998777 /nfs/dbraw/zinc/99/87/77/463998777.db2.gz QZYVNOKZSBTIKC-YUMQZZPRSA-N -1 0 349.206 2.292 20 5 EEBDRM COc1cc(CNc2ncn(CC(F)(F)F)n2)cc([N+](=O)[O-])c1[O-] ZINC000195169619 464010587 /nfs/dbraw/zinc/01/05/87/464010587.db2.gz JUMUQFBKOFDMFR-UHFFFAOYSA-N -1 0 347.253 2.075 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000195342582 464044782 /nfs/dbraw/zinc/04/47/82/464044782.db2.gz LCKKXKQQBLDEBI-UHFFFAOYSA-N -1 0 348.388 2.054 20 5 EEBDRM CC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000237067983 464260036 /nfs/dbraw/zinc/26/00/36/464260036.db2.gz MOVWTFIEXGMSLD-JTQLQIEISA-N -1 0 335.341 2.311 20 5 EEBDRM CC(C)n1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000280844601 464262158 /nfs/dbraw/zinc/26/21/58/464262158.db2.gz BAUBIZIJOLEBRV-UHFFFAOYSA-N -1 0 328.325 2.312 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000180199514 464264387 /nfs/dbraw/zinc/26/43/87/464264387.db2.gz FWCAZWYQRMMWFW-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000237403753 464315299 /nfs/dbraw/zinc/31/52/99/464315299.db2.gz HVBVHQCPIBZULL-ZETCQYMHSA-N -1 0 345.149 2.150 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H](C)C(=O)[O-] ZINC000294467879 464508797 /nfs/dbraw/zinc/50/87/97/464508797.db2.gz FJIIXWCXFXFSJB-NWDGAFQWSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000190481719 464655294 /nfs/dbraw/zinc/65/52/94/464655294.db2.gz YHQGUWKDHKLQGJ-SNVBAGLBSA-N -1 0 329.312 2.080 20 5 EEBDRM CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000182944136 464763792 /nfs/dbraw/zinc/76/37/92/464763792.db2.gz DORFXEMHUSHRKL-UHFFFAOYSA-N -1 0 326.334 2.076 20 5 EEBDRM O=C(NC[C@@H](CCO)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183096796 464795389 /nfs/dbraw/zinc/79/53/89/464795389.db2.gz FHNCYSWMYKXXFY-CQSZACIVSA-N -1 0 330.340 2.196 20 5 EEBDRM CC(C)(C(=O)[N-]OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000276467073 464943877 /nfs/dbraw/zinc/94/38/77/464943877.db2.gz YENQPFABGCACEE-SNVBAGLBSA-N -1 0 326.324 2.096 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000591302335 468442905 /nfs/dbraw/zinc/44/29/05/468442905.db2.gz DFVKBWXFWJDBRE-SECBINFHSA-N -1 0 332.316 2.237 20 5 EEBDRM COCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000337962141 465712835 /nfs/dbraw/zinc/71/28/35/465712835.db2.gz VUJOBRARKSJGDE-GFCCVEGCSA-N -1 0 348.396 2.463 20 5 EEBDRM CO[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000350077636 466374750 /nfs/dbraw/zinc/37/47/50/466374750.db2.gz QKPMBQLQUZRIEG-OAHLLOKOSA-N -1 0 344.323 2.411 20 5 EEBDRM CCC[C@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C(=O)[O-] ZINC000319484308 466595863 /nfs/dbraw/zinc/59/58/63/466595863.db2.gz CADBBEZXDILKSC-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM COCc1ccccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000320395202 466608995 /nfs/dbraw/zinc/60/89/95/466608995.db2.gz NQJNNTMZFHKVRY-UHFFFAOYSA-N -1 0 338.341 2.248 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000324209764 466644815 /nfs/dbraw/zinc/64/48/15/466644815.db2.gz NUNCSMAXLWUIJN-CYBMUJFWSA-N -1 0 331.328 2.269 20 5 EEBDRM CC[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C(=O)[O-] ZINC000431659226 467532083 /nfs/dbraw/zinc/53/20/83/467532083.db2.gz RHSYRJBPHIHEOW-CYBMUJFWSA-N -1 0 342.326 2.413 20 5 EEBDRM CC(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000517137174 468072038 /nfs/dbraw/zinc/07/20/38/468072038.db2.gz BXKCOTGCNUTFSH-UHFFFAOYSA-N -1 0 342.373 2.008 20 5 EEBDRM CCCc1nc(C)c(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])o1 ZINC000566976932 468162604 /nfs/dbraw/zinc/16/26/04/468162604.db2.gz WGNNNSSQIKWSHG-UHFFFAOYSA-N -1 0 334.332 2.857 20 5 EEBDRM CN1Cc2ccccc2[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000533879953 468225888 /nfs/dbraw/zinc/22/58/88/468225888.db2.gz SJKRVRHBZKCQJM-AWEZNQCLSA-N -1 0 327.340 2.217 20 5 EEBDRM CC[C@H]1CCCC[C@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000520340902 468242952 /nfs/dbraw/zinc/24/29/52/468242952.db2.gz RVELGZQWTOCGJQ-RYUDHWBXSA-N -1 0 327.406 2.485 20 5 EEBDRM CN(C1CC(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000568007658 468255115 /nfs/dbraw/zinc/25/51/15/468255115.db2.gz VOYNJOAEMODJKG-UHFFFAOYSA-N -1 0 342.373 2.102 20 5 EEBDRM Cn1nc(C2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000600425227 468553979 /nfs/dbraw/zinc/55/39/79/468553979.db2.gz NQQOFJHMIFVOGK-UHFFFAOYSA-N -1 0 346.343 2.180 20 5 EEBDRM CC(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000594467518 468597134 /nfs/dbraw/zinc/59/71/34/468597134.db2.gz MIHVDHBHKMQRGY-NSHDSACASA-N -1 0 328.752 2.264 20 5 EEBDRM C[C@H]1[C@@H](C(F)(F)F)OCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000594735678 468667961 /nfs/dbraw/zinc/66/79/61/468667961.db2.gz MZDHVDOOOSDPPI-CPCISQLKSA-N -1 0 334.250 2.449 20 5 EEBDRM C[C@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595280749 468799492 /nfs/dbraw/zinc/79/94/92/468799492.db2.gz ZVCVKTIOWHDACB-YUMQZZPRSA-N -1 0 349.265 2.234 20 5 EEBDRM CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000584219377 468822411 /nfs/dbraw/zinc/82/24/11/468822411.db2.gz SQVIDIQTDDHZMW-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000560914748 468854521 /nfs/dbraw/zinc/85/45/21/468854521.db2.gz LIAHFNOYTWJQSG-CYBMUJFWSA-N -1 0 335.360 2.034 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598659702 468949551 /nfs/dbraw/zinc/94/95/51/468949551.db2.gz GZDHYFZIAWZKMU-QMMMGPOBSA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598661613 468949785 /nfs/dbraw/zinc/94/97/85/468949785.db2.gz JYQALBPZDJHHQC-WFASDCNBSA-N -1 0 347.371 2.485 20 5 EEBDRM Cc1nnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598734822 468979004 /nfs/dbraw/zinc/97/90/04/468979004.db2.gz PCRMLFDDLYIZGI-UHFFFAOYSA-N -1 0 328.375 2.172 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[n-]1 ZINC000585682259 469013701 /nfs/dbraw/zinc/01/37/01/469013701.db2.gz OHYLYAOVFQVVEF-UHFFFAOYSA-N -1 0 343.299 2.228 20 5 EEBDRM CC[C@@H](C)C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000572963654 469031971 /nfs/dbraw/zinc/03/19/71/469031971.db2.gz KRUZUALJZNXSTG-PRHODGIISA-N -1 0 334.332 2.090 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000595882089 469062078 /nfs/dbraw/zinc/06/20/78/469062078.db2.gz FZQRNBSISSPVOR-UHFFFAOYSA-N -1 0 349.387 2.419 20 5 EEBDRM O=C([O-])c1ccnc(NCCC2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000573123974 469067030 /nfs/dbraw/zinc/06/70/30/469067030.db2.gz QECFYNYONFOKMM-UHFFFAOYSA-N -1 0 327.340 2.905 20 5 EEBDRM CC(C)Oc1ncccc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611554059 469277250 /nfs/dbraw/zinc/27/72/50/469277250.db2.gz AHARDVRKXLGXGI-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM O=C([O-])CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000617700128 469763202 /nfs/dbraw/zinc/76/32/02/469763202.db2.gz NJFTUXGJYDZQMD-UHFFFAOYSA-N -1 0 326.736 2.256 20 5 EEBDRM C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000610164004 469985219 /nfs/dbraw/zinc/98/52/19/469985219.db2.gz VPBQOWJOQAKYCS-LBPRGKRZSA-N -1 0 330.340 2.324 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000738068728 577998262 /nfs/dbraw/zinc/99/82/62/577998262.db2.gz PXGYYEIYNGAUMH-UHFFFAOYSA-N -1 0 342.307 2.458 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1[N+](=O)[O-] ZINC000738304780 578008726 /nfs/dbraw/zinc/00/87/26/578008726.db2.gz FGEWGLNTHZDAPW-UHFFFAOYSA-N -1 0 346.255 2.157 20 5 EEBDRM Cc1cc(C(=O)N(C)c2nc(CC(=O)[O-])cs2)cc([N+](=O)[O-])c1 ZINC000738319268 578009235 /nfs/dbraw/zinc/00/92/35/578009235.db2.gz HLAFFBCQHOWMMU-UHFFFAOYSA-N -1 0 335.341 2.263 20 5 EEBDRM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000732619382 577186298 /nfs/dbraw/zinc/18/62/98/577186298.db2.gz WDMNHWYHBVIMJR-UHFFFAOYSA-N -1 0 342.398 2.208 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000732906096 577196828 /nfs/dbraw/zinc/19/68/28/577196828.db2.gz LPMOCZCDEBRKHH-UMAGTOLTSA-N -1 0 340.401 2.490 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000733059994 577201370 /nfs/dbraw/zinc/20/13/70/577201370.db2.gz HPMRSQXXRVUSST-UHFFFAOYSA-N -1 0 344.389 2.099 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773036932 577311944 /nfs/dbraw/zinc/31/19/44/577311944.db2.gz UQEDTGNIARAOMX-AWEZNQCLSA-N -1 0 328.328 2.206 20 5 EEBDRM O=C(CCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000734703037 577321979 /nfs/dbraw/zinc/32/19/79/577321979.db2.gz FCPVSSUEKJGZLT-UHFFFAOYSA-N -1 0 332.765 2.243 20 5 EEBDRM Cc1c(C(=O)NCCCCC(=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000773225859 577324932 /nfs/dbraw/zinc/32/49/32/577324932.db2.gz KLHNRWKSRUJLGG-UHFFFAOYSA-N -1 0 339.304 2.105 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccccc1 ZINC000774082231 577382116 /nfs/dbraw/zinc/38/21/16/577382116.db2.gz CSLMDSVZDPJRHP-VIFPVBQESA-N -1 0 340.382 2.265 20 5 EEBDRM CC(C)(C)Cc1nnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000775107731 577430035 /nfs/dbraw/zinc/43/00/35/577430035.db2.gz AJHJNKWRPLDCFL-UHFFFAOYSA-N -1 0 346.390 2.429 20 5 EEBDRM Nc1ccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC000777380750 577477699 /nfs/dbraw/zinc/47/76/99/577477699.db2.gz NDBBNFMOEHKBHF-UHFFFAOYSA-N -1 0 335.360 2.332 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CC(C)C ZINC000764610805 577739919 /nfs/dbraw/zinc/73/99/19/577739919.db2.gz YRLMFPKMEQQEHN-UHFFFAOYSA-N -1 0 346.430 2.422 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CC1(Cl)Cl ZINC000746177873 577923544 /nfs/dbraw/zinc/92/35/44/577923544.db2.gz SSBJNIBHTNAJAX-ZCFIWIBFSA-N -1 0 343.163 2.206 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000738665203 578023203 /nfs/dbraw/zinc/02/32/03/578023203.db2.gz WTNZMNWEOUGTKF-UHFFFAOYSA-N -1 0 348.311 2.280 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCC2Cc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000738672607 578023424 /nfs/dbraw/zinc/02/34/24/578023424.db2.gz JQWDCDWRSPINDW-UHFFFAOYSA-N -1 0 340.335 2.438 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000739337850 578048947 /nfs/dbraw/zinc/04/89/47/578048947.db2.gz YJVAQKXNJSPYBJ-HNNXBMFYSA-N -1 0 349.270 2.482 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc3c(c2)CCO3)cc([N+](=O)[O-])c1 ZINC000740089416 578080378 /nfs/dbraw/zinc/08/03/78/578080378.db2.gz UQTJKDGCSAGZAX-UHFFFAOYSA-N -1 0 328.280 2.480 20 5 EEBDRM O=C([O-])c1ccc(OCCNc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000740168375 578083728 /nfs/dbraw/zinc/08/37/28/578083728.db2.gz RHVRFKUNMYZWID-UHFFFAOYSA-N -1 0 348.340 2.493 20 5 EEBDRM CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000736861166 578227180 /nfs/dbraw/zinc/22/71/80/578227180.db2.gz GXGNNUUVSNUPOZ-LBPRGKRZSA-N -1 0 345.149 2.340 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccn1 ZINC000833126185 600913162 /nfs/dbraw/zinc/91/31/62/600913162.db2.gz JEEVPOMHRCWQFI-AWEZNQCLSA-N -1 0 341.279 2.292 20 5 EEBDRM Nc1c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000833090223 601286538 /nfs/dbraw/zinc/28/65/38/601286538.db2.gz URFRENYULHBLGM-UHFFFAOYSA-N -1 0 346.255 2.036 20 5 EEBDRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000826710924 601505262 /nfs/dbraw/zinc/50/52/62/601505262.db2.gz SOWQSOYMMOZADB-CYBMUJFWSA-N -1 0 332.316 2.374 20 5 EEBDRM C[C@H](CC(=O)[O-])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000827255788 602176134 /nfs/dbraw/zinc/17/61/34/602176134.db2.gz FYYFQILIMRODLB-LLVKDONJSA-N -1 0 336.344 2.075 20 5 EEBDRM CC(C)COC[C@@H](O)CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000826900831 602250824 /nfs/dbraw/zinc/25/08/24/602250824.db2.gz VVQUFAJJAGCFFZ-VIFPVBQESA-N -1 0 346.767 2.392 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000827006005 604392584 /nfs/dbraw/zinc/39/25/84/604392584.db2.gz INYUVNFJLALBIL-LBPRGKRZSA-N -1 0 344.751 2.198 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1F ZINC000833143514 604828111 /nfs/dbraw/zinc/82/81/11/604828111.db2.gz NIUWMGYJOUOLCB-UHFFFAOYSA-N -1 0 332.287 2.405 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1[N+](=O)[O-] ZINC000827097621 604881140 /nfs/dbraw/zinc/88/11/40/604881140.db2.gz UEZRBUIFGTWNLC-SECBINFHSA-N -1 0 338.345 2.059 20 5 EEBDRM CCC[C@@](C)(NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000833647916 605288763 /nfs/dbraw/zinc/28/87/63/605288763.db2.gz LPCOQJYVOGMZSS-CYBMUJFWSA-N -1 0 330.287 2.446 20 5 EEBDRM CC1(C)C(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1(C)C ZINC000833555515 605400233 /nfs/dbraw/zinc/40/02/33/605400233.db2.gz NHIRORGLCZJTGV-UHFFFAOYSA-N -1 0 342.373 2.006 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000263326320 689678724 /nfs/dbraw/zinc/67/87/24/689678724.db2.gz KPTMVFLYISTLAP-DTWKUNHWSA-N -1 0 326.736 2.431 20 5 EEBDRM O=Cc1cc(-c2cc([N+](=O)[O-])ccc2CO)ccc1OCC(=O)[O-] ZINC000874969147 1199089802 /nfs/dbraw/zinc/08/98/02/1199089802.db2.gz GLLYKCCDLYPNTO-UHFFFAOYSA-N -1 0 331.280 2.030 20 5 EEBDRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000195296855 1211373533 /nfs/dbraw/zinc/37/35/33/1211373533.db2.gz PLQINSJETWVPSM-UHFFFAOYSA-N -1 0 326.374 2.235 20 5 EEBDRM C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)cc1 ZINC000089910709 1212075772 /nfs/dbraw/zinc/07/57/72/1212075772.db2.gz FJXZPWUJROVVEO-INIZCTEOSA-N -1 0 334.303 2.077 20 5 EEBDRM CCC(CC)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119977069 1229641463 /nfs/dbraw/zinc/64/14/63/1229641463.db2.gz AWNLIYWXCRSKMA-UHFFFAOYSA-N -1 0 334.781 2.489 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000115924702 1294038935 /nfs/dbraw/zinc/03/89/35/1294038935.db2.gz YZQBBCFVTRZEPV-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM COc1cccc(-c2noc(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)n2)n1 ZINC001216839586 1297309273 /nfs/dbraw/zinc/30/92/73/1297309273.db2.gz YCBFHDHJWVLTHK-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc(=O)[n-]c(C(F)(F)F)n1 ZINC001226347618 1301370354 /nfs/dbraw/zinc/37/03/54/1301370354.db2.gz VIJVQXAAXAFIDC-LURJTMIESA-N -1 0 347.253 2.082 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H]2CCc3ccc(C)cc32)c1[N+](=O)[O-] ZINC001226653506 1301495982 /nfs/dbraw/zinc/49/59/82/1301495982.db2.gz WDHAQYBMVIMPKR-NSHDSACASA-N -1 0 345.311 2.252 20 5 EEBDRM Cc1ccc2nc(=O)[n-]c(O[C@@H](C[N+](=O)[O-])c3cccnc3)c2c1 ZINC001227351305 1301792778 /nfs/dbraw/zinc/79/27/78/1301792778.db2.gz QAZFERMHEWSYSF-AWEZNQCLSA-N -1 0 326.312 2.436 20 5 EEBDRM CCCCOC[C@H](C)OC[C@H](C)Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228141068 1302123379 /nfs/dbraw/zinc/12/33/79/1302123379.db2.gz OUURRQFBLCHNDP-QWRGUYRKSA-N -1 0 329.353 2.080 20 5 EEBDRM O=[N+]([O-])C[C@H](Oc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCO2 ZINC001229395066 1302761083 /nfs/dbraw/zinc/76/10/83/1302761083.db2.gz FCBKFLLMTUHTSJ-HNNXBMFYSA-N -1 0 348.267 2.426 20 5 EEBDRM O=C([O-])C[C@@H](O)C(=O)Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC001230938120 1303553239 /nfs/dbraw/zinc/55/32/39/1303553239.db2.gz DRBQKWKFXOVXKG-CQSZACIVSA-N -1 0 331.280 2.003 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000780740127 1303695666 /nfs/dbraw/zinc/69/56/66/1303695666.db2.gz WBXQAXFEBWNASL-QGZVFWFLSA-N -1 0 346.314 2.173 20 5 EEBDRM COc1cc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cc(OC)c1 ZINC001116836423 1305922970 /nfs/dbraw/zinc/92/29/70/1305922970.db2.gz AYLYETWKEAEMBD-UHFFFAOYSA-N -1 0 344.370 2.474 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000829835210 1314518041 /nfs/dbraw/zinc/51/80/41/1314518041.db2.gz ZGUOYEDYTVCZQZ-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)C[C@H](C)C(=O)[O-] ZINC000841511185 1315567573 /nfs/dbraw/zinc/56/75/73/1315567573.db2.gz PFEQBIQITXBHIB-QMMMGPOBSA-N -1 0 328.296 2.068 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000842403800 1315698026 /nfs/dbraw/zinc/69/80/26/1315698026.db2.gz PJRJCLCSXWQCDD-NSHDSACASA-N -1 0 340.401 2.285 20 5 EEBDRM COC(=O)c1c2nn(-c3ccc([O-])c([N+](=O)[O-])c3)cc2ccc1N ZINC001210397796 1325265631 /nfs/dbraw/zinc/26/56/31/1325265631.db2.gz IDHZIHTZAVSBHZ-UHFFFAOYSA-N -1 0 328.284 2.008 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC(CC3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC001602241897 1350474231 /nfs/dbraw/zinc/47/42/31/1350474231.db2.gz DPKWSWKWFNPTJX-UHFFFAOYSA-N -1 0 348.355 2.182 20 5 EEBDRM O=C([O-])[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(O)c1 ZINC001608550924 1351714376 /nfs/dbraw/zinc/71/43/76/1351714376.db2.gz HQPHZRBSKFAQIA-HNNXBMFYSA-N -1 0 342.311 2.092 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)Cc2cc(C3CC3)no2)c1 ZINC001608357039 1351677914 /nfs/dbraw/zinc/67/79/14/1351677914.db2.gz FTPIPGJLRGTDBN-UHFFFAOYSA-N -1 0 346.295 2.444 20 5 EEBDRM O=C([O-])C12CC(C(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)(C1)C2 ZINC001608582565 1351720346 /nfs/dbraw/zinc/72/03/46/1351720346.db2.gz MQBLOGDNTWQJEX-UHFFFAOYSA-N -1 0 327.296 2.336 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001608722794 1351749512 /nfs/dbraw/zinc/74/95/12/1351749512.db2.gz FTOVHBFCXAECOD-UHFFFAOYSA-N -1 0 341.327 2.347 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC001608758479 1351756381 /nfs/dbraw/zinc/75/63/81/1351756381.db2.gz FTQDJWBQPLEABL-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001608773254 1351759804 /nfs/dbraw/zinc/75/98/04/1351759804.db2.gz SVCYAOGHIRHXDT-UEEZHKSASA-N -1 0 332.356 2.458 20 5 EEBDRM O=C([O-])Cc1ccc(NCCNC(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC001608780795 1351762078 /nfs/dbraw/zinc/76/20/78/1351762078.db2.gz WENITOSNAQJKLC-UHFFFAOYSA-N -1 0 349.368 2.125 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCc3ncccc32)cc([N+](=O)[O-])c1 ZINC001608835883 1351774899 /nfs/dbraw/zinc/77/48/99/1351774899.db2.gz ABUMEFYFOGMAIQ-UHFFFAOYSA-N -1 0 327.296 2.281 20 5 EEBDRM O=C([O-])c1ccc(C(=O)COC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001608871268 1351782667 /nfs/dbraw/zinc/78/26/67/1351782667.db2.gz MMMDEBUQKWEQLA-UHFFFAOYSA-N -1 0 345.263 2.038 20 5 EEBDRM O=C([O-])c1ccccc1Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC001608948106 1351800967 /nfs/dbraw/zinc/80/09/67/1351800967.db2.gz ZBPJPAWAEFJDOV-UHFFFAOYSA-N -1 0 340.295 2.253 20 5 EEBDRM O=C(NCc1ccc(-c2nnco2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001322555557 1333282074 /nfs/dbraw/zinc/28/20/74/1333282074.db2.gz PQBIJCWNQFJGOX-UHFFFAOYSA-N -1 0 340.295 2.280 20 5 EEBDRM CCc1[nH]nc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C ZINC001324345620 1333662237 /nfs/dbraw/zinc/66/22/37/1333662237.db2.gz VEVSAIPDJOCARL-UHFFFAOYSA-N -1 0 328.325 2.129 20 5 EEBDRM Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001326190684 1334040393 /nfs/dbraw/zinc/04/03/93/1334040393.db2.gz XVHMJCTTYVINAD-UHFFFAOYSA-N -1 0 336.373 2.311 20 5 EEBDRM CC(=O)Nc1cccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001609625268 1352044075 /nfs/dbraw/zinc/04/40/75/1352044075.db2.gz CYFLRDNXYORRPK-UHFFFAOYSA-N -1 0 330.300 2.259 20 5 EEBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC001609649943 1352050014 /nfs/dbraw/zinc/05/00/14/1352050014.db2.gz KOCQIZZUVHVJEF-JTQLQIEISA-N -1 0 335.360 2.140 20 5 EEBDRM CC(C)N1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1=O ZINC001609706013 1352064287 /nfs/dbraw/zinc/06/42/87/1352064287.db2.gz QFAHTPQJYAJCOB-MRVPVSSYSA-N -1 0 341.751 2.368 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001609718194 1352067585 /nfs/dbraw/zinc/06/75/85/1352067585.db2.gz PQMHFSABESHMEH-CYBMUJFWSA-N -1 0 333.300 2.424 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccn1 ZINC001609729257 1352070649 /nfs/dbraw/zinc/07/06/49/1352070649.db2.gz PKHGLQGIQZPSDB-CQSZACIVSA-N -1 0 335.341 2.171 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1csc([N+](=O)[O-])c1)c1ccncc1 ZINC001609730167 1352071380 /nfs/dbraw/zinc/07/13/80/1352071380.db2.gz LWOVJBGCQAZCSJ-CQSZACIVSA-N -1 0 335.341 2.171 20 5 EEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001610141756 1352172103 /nfs/dbraw/zinc/17/21/03/1352172103.db2.gz PRAHONOFJJHNFQ-LLVKDONJSA-N -1 0 349.387 2.282 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])c1 ZINC001610214196 1352187074 /nfs/dbraw/zinc/18/70/74/1352187074.db2.gz MHMSPSWXCYTUEV-AWEZNQCLSA-N -1 0 338.360 2.313 20 5 EEBDRM CCc1cc(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000848584120 1338724512 /nfs/dbraw/zinc/72/45/12/1338724512.db2.gz OQLDWAUMORTVNR-UHFFFAOYSA-N -1 0 341.270 2.433 20 5 EEBDRM Cc1c(NC(=O)NCCc2ccccn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610423444 1352220265 /nfs/dbraw/zinc/22/02/65/1352220265.db2.gz HZHGIGTULILPPJ-UHFFFAOYSA-N -1 0 344.327 2.361 20 5 EEBDRM Cc1cc(=O)[nH]c(C=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001610475537 1352228997 /nfs/dbraw/zinc/22/89/97/1352228997.db2.gz ARTCTFPVFIKYEZ-HWKANZROSA-N -1 0 331.284 2.033 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ncoc2[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001610814097 1352279335 /nfs/dbraw/zinc/27/93/35/1352279335.db2.gz YTCZQTUBPQTRQR-NSHDSACASA-N -1 0 347.283 2.385 20 5 EEBDRM CO[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C(=O)[O-])C1 ZINC001599121947 1349946216 /nfs/dbraw/zinc/94/62/16/1349946216.db2.gz YNOGZSAUEHMEDE-NEPJUHHUSA-N -1 0 348.311 2.045 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1C ZINC001599995707 1349951755 /nfs/dbraw/zinc/95/17/55/1349951755.db2.gz LQXKVXQUGKGPAW-UHFFFAOYSA-N -1 0 334.288 2.460 20 5 EEBDRM Cc1c(NC(=O)N2CCOC(C)(C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600037838 1349959828 /nfs/dbraw/zinc/95/98/28/1349959828.db2.gz VENAVCHDWFXXHG-UHFFFAOYSA-N -1 0 337.332 2.244 20 5 EEBDRM Cc1c(NCc2cn(CC3CC3)nn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600051133 1349962639 /nfs/dbraw/zinc/96/26/39/1349962639.db2.gz PWDLKZWFTQYJSM-UHFFFAOYSA-N -1 0 331.332 2.215 20 5 EEBDRM Cc1cc(C(=O)N2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001600079047 1349967153 /nfs/dbraw/zinc/96/71/53/1349967153.db2.gz CHOZGUIYBKNXSC-QPKOPYBWSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1oc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1C(=O)[O-] ZINC001600093925 1349969678 /nfs/dbraw/zinc/96/96/78/1349969678.db2.gz BXMINMAYKFEUKP-UHFFFAOYSA-N -1 0 333.300 2.015 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001600219043 1349995884 /nfs/dbraw/zinc/99/58/84/1349995884.db2.gz MIIVPNIJALSRMP-WCBMZHEXSA-N -1 0 326.736 2.492 20 5 EEBDRM Cc1cc(OCC(=O)N2CCCC[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001600287940 1350011790 /nfs/dbraw/zinc/01/17/90/1350011790.db2.gz NIRQBTKVMLUWMW-GFCCVEGCSA-N -1 0 336.344 2.138 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC001600302131 1350015306 /nfs/dbraw/zinc/01/53/06/1350015306.db2.gz DXODIHBOBWKBCV-CQSZACIVSA-N -1 0 326.736 2.493 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001600720716 1350120857 /nfs/dbraw/zinc/12/08/57/1350120857.db2.gz VRBCGHYSACVJDH-JTQLQIEISA-N -1 0 346.343 2.317 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1CNc1cc([N+](=O)[O-])ccc1NCCO ZINC001600830637 1350147139 /nfs/dbraw/zinc/14/71/39/1350147139.db2.gz JRHRZIUULGOLBW-UHFFFAOYSA-N -1 0 335.316 2.211 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001601217944 1350233915 /nfs/dbraw/zinc/23/39/15/1350233915.db2.gz SZPNTCTZYJRKHV-UHFFFAOYSA-N -1 0 327.296 2.078 20 5 EEBDRM O=C([O-])c1cnc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)s1 ZINC001601240577 1350239564 /nfs/dbraw/zinc/23/95/64/1350239564.db2.gz OTSBLPLJLVSRKT-UTCJRWHESA-N -1 0 333.325 2.079 20 5 EEBDRM O=C([O-])[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC001601240556 1350239577 /nfs/dbraw/zinc/23/95/77/1350239577.db2.gz ODXJKPJXJIUXJY-YXMGTMDOSA-N -1 0 342.307 2.256 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001601370365 1350268914 /nfs/dbraw/zinc/26/89/14/1350268914.db2.gz YTNWWXNSGXWCEP-CQSZACIVSA-N -1 0 346.314 2.089 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H](OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001601390977 1350272193 /nfs/dbraw/zinc/27/21/93/1350272193.db2.gz GBZFWRPQJZVKNN-GXFFZTMASA-N -1 0 347.327 2.131 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001601469968 1350290787 /nfs/dbraw/zinc/29/07/87/1350290787.db2.gz UDNPVRKAVNELTI-UHFFFAOYSA-N -1 0 333.127 2.496 20 5 EEBDRM O=C([O-])C1=CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001601736315 1350351392 /nfs/dbraw/zinc/35/13/92/1350351392.db2.gz XCKWMBKOGVHKNH-MRVPVSSYSA-N -1 0 342.254 2.099 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@H]1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC001601810631 1350369355 /nfs/dbraw/zinc/36/93/55/1350369355.db2.gz VLWAVEJKTHFSPY-WCQYABFASA-N -1 0 347.327 2.303 20 5 EEBDRM O=C([O-])/C=C/c1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC001601874489 1350386966 /nfs/dbraw/zinc/38/69/66/1350386966.db2.gz QOTBAAORVLVPSG-ZZXKWVIFSA-N -1 0 328.280 2.489 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@H](CCO)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001601881495 1350389371 /nfs/dbraw/zinc/38/93/71/1350389371.db2.gz BEMLJIKSFWKGPR-JRBALWBOSA-N -1 0 334.250 2.418 20 5 EEBDRM O=C([O-])[C@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC001602212367 1350467181 /nfs/dbraw/zinc/46/71/81/1350467181.db2.gz KAZNSJNKNLASFS-LBPRGKRZSA-N -1 0 330.344 2.212 20 5 EEBDRM O=C([O-])c1cc(OCC(=O)c2c[nH]c3ncccc23)ccc1[N+](=O)[O-] ZINC001602288171 1350486084 /nfs/dbraw/zinc/48/60/84/1350486084.db2.gz JFOVXXOUSMEAHJ-UHFFFAOYSA-N -1 0 341.279 2.431 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(C2CC(Oc3ccccc3)C2)c1 ZINC001602299562 1350488052 /nfs/dbraw/zinc/48/80/52/1350488052.db2.gz OQSGWYYZWNDLAW-UHFFFAOYSA-N -1 0 330.296 2.237 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc3c(=O)cc[nH]c3c2)n1 ZINC001602405909 1350511899 /nfs/dbraw/zinc/51/18/99/1350511899.db2.gz VOGLNBGWKGNMDE-UHFFFAOYSA-N -1 0 340.295 2.142 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001602984433 1350618678 /nfs/dbraw/zinc/61/86/78/1350618678.db2.gz LUFKXFANLZJWNU-KQPPXVQYSA-N -1 0 348.355 2.138 20 5 EEBDRM CC(=O)c1ccc(OCC(=O)c2ccc(C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC001603114478 1350644183 /nfs/dbraw/zinc/64/41/83/1350644183.db2.gz YBBFGASJUWZKTM-UHFFFAOYSA-N -1 0 333.252 2.350 20 5 EEBDRM CC(C)[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001603743338 1350756735 /nfs/dbraw/zinc/75/67/35/1350756735.db2.gz IHEYGAIUKUZCAW-CQSZACIVSA-N -1 0 336.344 2.461 20 5 EEBDRM CC(C)CC1(NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001603784345 1350767071 /nfs/dbraw/zinc/76/70/71/1350767071.db2.gz UTYVJXCYWLOKFA-UHFFFAOYSA-N -1 0 342.373 2.150 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001603934111 1350805373 /nfs/dbraw/zinc/80/53/73/1350805373.db2.gz ICNZWGQJAHBOAQ-ZYHUDNBSSA-N -1 0 336.344 2.175 20 5 EEBDRM C[C@]12COC[C@H]1CN(c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])C2 ZINC001604606925 1350968833 /nfs/dbraw/zinc/96/88/33/1350968833.db2.gz VIZKJZQCCGSJEN-CLAHSXSESA-N -1 0 326.736 2.419 20 5 EEBDRM CC[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC001605116990 1351080708 /nfs/dbraw/zinc/08/07/08/1351080708.db2.gz SCBYHQZWOKPTPL-SECBINFHSA-N -1 0 332.106 2.377 20 5 EEBDRM COc1ccc(NC(=O)NC[C@H](CC(=O)[O-])C2CC2)c([N+](=O)[O-])c1 ZINC001607275018 1351463140 /nfs/dbraw/zinc/46/31/40/1351463140.db2.gz ZNXDXWJZCNBRMU-JTQLQIEISA-N -1 0 337.332 2.226 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC001607475157 1351499894 /nfs/dbraw/zinc/49/98/94/1351499894.db2.gz ZUNRNSFOBLIWMD-RTHLEPHNSA-N -1 0 326.736 2.431 20 5 EEBDRM Cc1cc(N2CC[C@@](CO)(C(F)(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607684382 1351539207 /nfs/dbraw/zinc/53/92/07/1351539207.db2.gz NZSSSFUJIXEMNU-CYBMUJFWSA-N -1 0 348.277 2.353 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC001608347742 1351675752 /nfs/dbraw/zinc/67/57/52/1351675752.db2.gz BCJKIDDNPSXGQX-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC001608387011 1351684025 /nfs/dbraw/zinc/68/40/25/1351684025.db2.gz FZVMSSQABKNYJN-LBPRGKRZSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000119324299 1369557182 /nfs/dbraw/zinc/55/71/82/1369557182.db2.gz LWDPXHKEFQHDKC-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM Cc1cc(Cl)c(C(=O)NCCc2n[n-]c(=S)o2)cc1[N+](=O)[O-] ZINC000832362604 1372430870 /nfs/dbraw/zinc/43/08/70/1372430870.db2.gz CNAJLDWNPFYWGM-UHFFFAOYSA-N -1 0 342.764 2.201 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=S)NCCCC(=O)[O-] ZINC001605701409 1404750596 /nfs/dbraw/zinc/75/05/96/1404750596.db2.gz VNFJFIAYMWVINN-UHFFFAOYSA-N -1 0 327.362 2.145 20 5 EEBDRM CN(CC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC001606079913 1404764689 /nfs/dbraw/zinc/76/46/89/1404764689.db2.gz OHFVNUXCFWGDMI-AWEZNQCLSA-N -1 0 349.368 2.035 20 5 EEBDRM CNC(=O)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001606262273 1404778252 /nfs/dbraw/zinc/77/82/52/1404778252.db2.gz UKYCRVYNTAYICL-YUMQZZPRSA-N -1 0 341.751 2.273 20 5 EEBDRM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1n[nH]c(C(F)(F)F)n1 ZINC000195182307 1406127996 /nfs/dbraw/zinc/12/79/96/1406127996.db2.gz BBQYMCSJMCSLPD-UHFFFAOYSA-N -1 0 345.237 2.139 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CC1(Cl)Cl ZINC000918191610 768971556 /nfs/dbraw/zinc/97/15/56/768971556.db2.gz HUBMLEBKXFINDA-LURJTMIESA-N -1 0 343.163 2.206 20 5 EEBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)ccc1F ZINC000072014932 782799030 /nfs/dbraw/zinc/79/90/30/782799030.db2.gz MFSXCHLDKRZMCS-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000844218442 788908251 /nfs/dbraw/zinc/90/82/51/788908251.db2.gz NZZCNGXDGJNGQS-GFCCVEGCSA-N -1 0 331.332 2.034 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC=C(Br)C2)n1 ZINC000844219790 788909848 /nfs/dbraw/zinc/90/98/48/788909848.db2.gz WOTTWLNUIHWGDY-UHFFFAOYSA-N -1 0 342.149 2.485 20 5 EEBDRM Cc1cc(=O)[nH]c(N2CCC[C@@H](Nc3cc(C)c([N+](=O)[O-])cn3)C2)n1 ZINC000952994108 796140086 /nfs/dbraw/zinc/14/00/86/796140086.db2.gz MCTJEYJBZHNZHR-GFCCVEGCSA-N -1 0 344.375 2.183 20 5 EEBDRM COC(=O)c1ccc(OC)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001174503358 797784032 /nfs/dbraw/zinc/78/40/32/797784032.db2.gz LUUTTYOFIOBOOV-UHFFFAOYSA-N -1 0 347.283 2.227 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc(OC3COC3)nc2)cc([N+](=O)[O-])c1 ZINC001176674541 798523612 /nfs/dbraw/zinc/52/36/12/798523612.db2.gz MCHROGDETIXPQV-UHFFFAOYSA-N -1 0 331.284 2.209 20 5 EEBDRM CCOC(=O)c1nccnc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673205 798523679 /nfs/dbraw/zinc/52/36/79/798523679.db2.gz UZTDRHJGRUVGRT-UHFFFAOYSA-N -1 0 332.272 2.003 20 5 EEBDRM CSCCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000794181939 810700786 /nfs/dbraw/zinc/70/07/86/810700786.db2.gz YKVFBQROYBIHSC-QMMMGPOBSA-N -1 0 334.781 2.426 20 5 EEBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC001589592906 949112245 /nfs/dbraw/zinc/11/22/45/949112245.db2.gz VLNFJRFFQIYRJE-MRXNPFEDSA-N -1 0 335.360 2.110 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001592815275 951366271 /nfs/dbraw/zinc/36/62/71/951366271.db2.gz GBMHWPXWZMYMBK-VIFPVBQESA-N -1 0 337.332 2.463 20 5 EEBDRM O=C([O-])CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC001595071530 951597716 /nfs/dbraw/zinc/59/77/16/951597716.db2.gz BUAJILGUUBVOFT-UHFFFAOYSA-N -1 0 332.316 2.084 20 5 EEBDRM CC[C@H](C)[C@H](Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C(=O)[O-] ZINC001593614951 953496272 /nfs/dbraw/zinc/49/62/72/953496272.db2.gz ZEGZSDLNPCGPKY-CABZTGNLSA-N -1 0 333.344 2.358 20 5 EEBDRM C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC001589366219 954197705 /nfs/dbraw/zinc/19/77/05/954197705.db2.gz KOKLMWMCBHMRRY-RISCZKNCSA-N -1 0 334.372 2.442 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CCCC(=O)[O-] ZINC001593874508 955651739 /nfs/dbraw/zinc/65/17/39/955651739.db2.gz DEDJNCLHYRAHJC-UHFFFAOYSA-N -1 0 330.724 2.336 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000852954768 955880908 /nfs/dbraw/zinc/88/09/08/955880908.db2.gz RMFOOEZPRPARKM-UHFFFAOYSA-N -1 0 342.735 2.002 20 5 EEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589136245 956227626 /nfs/dbraw/zinc/22/76/26/956227626.db2.gz IYXGJALKYGESID-JFUSQASVSA-N -1 0 335.360 2.241 20 5 EEBDRM C[C@H](OC(=O)C1(CC(=O)[O-])CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001589158466 956383092 /nfs/dbraw/zinc/38/30/92/956383092.db2.gz FQVWPISSHVISLP-NSHDSACASA-N -1 0 337.328 2.471 20 5 EEBDRM O=C([O-])c1cccnc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001594713822 956902506 /nfs/dbraw/zinc/90/25/06/956902506.db2.gz HUWAPUJYPYOSGE-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC001574770675 957756289 /nfs/dbraw/zinc/75/62/89/957756289.db2.gz PPWUAVWJLPADJU-XUWVNRHRSA-N -1 0 344.367 2.268 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433620 958245974 /nfs/dbraw/zinc/24/59/74/958245974.db2.gz VQJKDHFWXKRTOQ-LBPRGKRZSA-N -1 0 344.165 2.443 20 5 EEBDRM O=C([O-])C[C@@H]1COCCN1c1ccc([N+](=O)[O-])cc1Br ZINC000129533463 958711307 /nfs/dbraw/zinc/71/13/07/958711307.db2.gz MAGYRGXDNKAURO-SECBINFHSA-N -1 0 345.149 2.037 20 5 EEBDRM CC(C)[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001573493145 959032001 /nfs/dbraw/zinc/03/20/01/959032001.db2.gz YGEVZMHDAAQXDR-JTQLQIEISA-N -1 0 326.374 2.160 20 5 EEBDRM CC(C)(CC(=O)[O-])NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159012566 959106635 /nfs/dbraw/zinc/10/66/35/959106635.db2.gz MTKXTAQMWPYZIW-UHFFFAOYSA-N -1 0 345.149 2.340 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001594220453 959369569 /nfs/dbraw/zinc/36/95/69/959369569.db2.gz PXJVDVYDUCHVBT-BXKDBHETSA-N -1 0 332.316 2.082 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)ccc1[N+](=O)[O-] ZINC001591751818 975810289 /nfs/dbraw/zinc/81/02/89/975810289.db2.gz HPZCVTPNVNPVSH-ZYHUDNBSSA-N -1 0 336.344 2.317 20 5 EEBDRM CC(C)c1n[nH]cc1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591921503 976395333 /nfs/dbraw/zinc/39/53/33/976395333.db2.gz YRXVLQXZRNHTTQ-UHFFFAOYSA-N -1 0 333.300 2.497 20 5 EEBDRM CC(C)(CCC(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1)[N+](=O)[O-] ZINC001593015836 980264381 /nfs/dbraw/zinc/26/43/81/980264381.db2.gz VGZUSBQTBBONPN-HNNXBMFYSA-N -1 0 326.324 2.077 20 5 EEBDRM CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001596679672 984764712 /nfs/dbraw/zinc/76/47/12/984764712.db2.gz INLPACABWCTUIY-NEPJUHHUSA-N -1 0 336.344 2.366 20 5 EEBDRM C[C@@H]1Cc2n[nH]cc2CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001594612879 986614443 /nfs/dbraw/zinc/61/44/43/986614443.db2.gz XMHZIHYVGFSQEH-SNVBAGLBSA-N -1 0 330.344 2.211 20 5 EEBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ncccc1F ZINC001599840532 988819563 /nfs/dbraw/zinc/81/95/63/988819563.db2.gz ISROTYJANSMLBB-MRVPVSSYSA-N -1 0 333.275 2.318 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001599883723 989520410 /nfs/dbraw/zinc/52/04/10/989520410.db2.gz RONNJORSVHMVPW-AWEZNQCLSA-N -1 0 326.736 2.256 20 5 EEBDRM CCn1ccc(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n1 ZINC001597907479 989802244 /nfs/dbraw/zinc/80/22/44/989802244.db2.gz QYCJBBSJCVYLKG-UHFFFAOYSA-N -1 0 333.304 2.462 20 5 EEBDRM CC(C)CN(CC(=O)[O-])Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC001591303333 992252866 /nfs/dbraw/zinc/25/28/66/992252866.db2.gz WBGYOTGCOIMTMP-UHFFFAOYSA-N -1 0 332.360 2.458 20 5 EEBDRM CN(Cc1noc(C2CC2)n1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598540483 992894342 /nfs/dbraw/zinc/89/43/42/992894342.db2.gz FFURWPUXLGKPBP-UHFFFAOYSA-N -1 0 332.316 2.185 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)c1 ZINC001599622330 994100968 /nfs/dbraw/zinc/10/09/68/994100968.db2.gz ZZUGCIPKMHPQIV-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599622848 994108730 /nfs/dbraw/zinc/10/87/30/994108730.db2.gz IRHMYIHTRUNHQN-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)[C@@H]1CN(C)CCO1 ZINC001593365699 995042944 /nfs/dbraw/zinc/04/29/44/995042944.db2.gz GUTHLHJUYJLMAN-KCJUWKMLSA-N -1 0 343.767 2.077 20 5 EEBDRM C[C@@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(=O)[O-] ZINC001593528088 995575267 /nfs/dbraw/zinc/57/52/67/995575267.db2.gz RCYBVBDVDUJUOF-SNVBAGLBSA-N -1 0 337.328 2.139 20 5 EEBDRM COc1c(C(=O)NCc2cc(C)c(C(=O)[O-])o2)cccc1[N+](=O)[O-] ZINC001599327926 997696302 /nfs/dbraw/zinc/69/63/02/997696302.db2.gz DWCHCYRROKOAID-UHFFFAOYSA-N -1 0 334.284 2.133 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)OCCCC(=O)[O-])cc1SC ZINC001599461813 998285773 /nfs/dbraw/zinc/28/57/73/998285773.db2.gz BIEJLVNFBPGGTC-UHFFFAOYSA-N -1 0 329.330 2.347 20 5 EEBDRM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000315343214 295837597 /nfs/dbraw/zinc/83/75/97/295837597.db2.gz OLYWMECCEHRYKY-LURJTMIESA-N -1 0 330.259 2.353 20 5 EEBDRM CNC(=O)c1cnc(/C=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)s1 ZINC000072057936 216000182 /nfs/dbraw/zinc/00/01/82/216000182.db2.gz IYKFEROKEPMSGJ-ONEGZZNKSA-N -1 0 335.341 2.296 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCc2c[nH]nc2C1 ZINC000253630311 244042228 /nfs/dbraw/zinc/04/22/28/244042228.db2.gz ZPORGJFZXSZVDP-ZETCQYMHSA-N -1 0 336.735 2.421 20 5 EEBDRM O=C([N-]N1CCCCC1=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266248495 248202442 /nfs/dbraw/zinc/20/24/42/248202442.db2.gz AKJSZORINUXMKV-UHFFFAOYSA-N -1 0 331.250 2.271 20 5 EEBDRM CCCN(CC(=O)OC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000273391223 256292415 /nfs/dbraw/zinc/29/24/15/256292415.db2.gz DPLKTIVQYAHTTO-UHFFFAOYSA-N -1 0 338.360 2.494 20 5 EEBDRM CN1CCOc2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc21 ZINC000356633210 141029470 /nfs/dbraw/zinc/02/94/70/141029470.db2.gz KBZMPYSYVCECSU-UHFFFAOYSA-N -1 0 329.312 2.381 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262909774 152338111 /nfs/dbraw/zinc/33/81/11/152338111.db2.gz NCKMHANBYCRITA-NEPJUHHUSA-N -1 0 333.344 2.152 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263033441 152360822 /nfs/dbraw/zinc/36/08/22/152360822.db2.gz MWELNNWHVDVZID-BXUZGUMPSA-N -1 0 335.360 2.109 20 5 EEBDRM CCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000263186587 152397498 /nfs/dbraw/zinc/39/74/98/152397498.db2.gz KUBNGSRTNUZPBB-JQWIXIFHSA-N -1 0 336.344 2.319 20 5 EEBDRM COc1ccc([C@H](CO)N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000357465976 286373581 /nfs/dbraw/zinc/37/35/81/286373581.db2.gz KHPCBXPKTGDHOR-INIZCTEOSA-N -1 0 346.339 2.115 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000327181929 160544841 /nfs/dbraw/zinc/54/48/41/160544841.db2.gz WBVPRAPZSGQPEO-AWEZNQCLSA-N -1 0 342.307 2.189 20 5 EEBDRM COc1ccc(NC(=O)NCCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000336872369 160564383 /nfs/dbraw/zinc/56/43/83/160564383.db2.gz MJZYNEAONGAVES-UHFFFAOYSA-N -1 0 325.321 2.370 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000238015280 160227463 /nfs/dbraw/zinc/22/74/63/160227463.db2.gz WBGITOXSXVILQT-ZDUSSCGKSA-N -1 0 340.295 2.027 20 5 EEBDRM COCc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c1 ZINC000343872318 161176449 /nfs/dbraw/zinc/17/64/49/161176449.db2.gz KIKAXOKMLAMSLI-UHFFFAOYSA-N -1 0 338.341 2.248 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000359416499 164129885 /nfs/dbraw/zinc/12/98/85/164129885.db2.gz SHBGWOLUKALEBS-UHFFFAOYSA-N -1 0 331.712 2.005 20 5 EEBDRM Cc1cc([C@@](C)(O)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)o1 ZINC000164829065 226101434 /nfs/dbraw/zinc/10/14/34/226101434.db2.gz YBYCJOZBDQMRHK-INIZCTEOSA-N -1 0 334.328 2.148 20 5 EEBDRM COC(=O)C1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000273561789 269023618 /nfs/dbraw/zinc/02/36/18/269023618.db2.gz WMVMSUAHGMLSGO-UHFFFAOYSA-N -1 0 336.344 2.154 20 5 EEBDRM CN(C)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000181853915 274009155 /nfs/dbraw/zinc/00/91/55/274009155.db2.gz CGXLOYDONWTXQY-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236852891 274083122 /nfs/dbraw/zinc/08/31/22/274083122.db2.gz CNJYBRZHCQPMTG-SECBINFHSA-N -1 0 343.767 2.372 20 5 EEBDRM Cn1nc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1C1CC1 ZINC000290567411 275218749 /nfs/dbraw/zinc/21/87/49/275218749.db2.gz SWOJDXJADXQAFA-UHFFFAOYSA-N -1 0 340.336 2.146 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000291454328 275306916 /nfs/dbraw/zinc/30/69/16/275306916.db2.gz CUIDYIWVYIZYPP-LLVKDONJSA-N -1 0 336.735 2.238 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC000236587245 279000714 /nfs/dbraw/zinc/00/07/14/279000714.db2.gz QETZXXWNRZFBLC-CQSZACIVSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([O-])c1csc(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000255845053 292721097 /nfs/dbraw/zinc/72/10/97/292721097.db2.gz INAPOTVLRKDRCV-WAYWQWQTSA-N -1 0 333.325 2.079 20 5 EEBDRM CN1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc2C1 ZINC000185881235 290031307 /nfs/dbraw/zinc/03/13/07/290031307.db2.gz KIANHTLVHYHFGC-UHFFFAOYSA-N -1 0 327.340 2.393 20 5 EEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000294463321 293459648 /nfs/dbraw/zinc/45/96/48/293459648.db2.gz BLVMNKOYVCIMBT-CTEHBZJOSA-N -1 0 330.340 2.320 20 5 EEBDRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000263107246 298210404 /nfs/dbraw/zinc/21/04/04/298210404.db2.gz ABPWWBKBNBEEJP-RXMQYKEDSA-N -1 0 349.112 2.042 20 5 EEBDRM Cc1ccc(N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000416448364 313226245 /nfs/dbraw/zinc/22/62/45/313226245.db2.gz TUSBKCZTRMGUDM-GXTWGEPZSA-N -1 0 335.360 2.025 20 5 EEBDRM O=C([O-])c1cccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000432115133 314680111 /nfs/dbraw/zinc/68/01/11/314680111.db2.gz GFIIFQNCZFPOMX-UHFFFAOYSA-N -1 0 340.335 2.420 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)ccc1O ZINC000433817980 314797182 /nfs/dbraw/zinc/79/71/82/314797182.db2.gz JTFWBQMSTFHNIN-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C(NC[C@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436836872 315003991 /nfs/dbraw/zinc/00/39/91/315003991.db2.gz FXUYDVMAQIYZMP-CYBMUJFWSA-N -1 0 330.340 2.024 20 5 EEBDRM COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436892025 315010067 /nfs/dbraw/zinc/01/00/67/315010067.db2.gz JZRYHXHQEWRKGU-BLLLJJGKSA-N -1 0 336.344 2.152 20 5 EEBDRM COC(=O)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436893304 315010491 /nfs/dbraw/zinc/01/04/91/315010491.db2.gz MTILKNFVVAETCK-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM O=C(Nc1ccc(N2CCCC2=O)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436962441 315017354 /nfs/dbraw/zinc/01/73/54/315017354.db2.gz XEHLYXJXWSNXGE-UHFFFAOYSA-N -1 0 342.311 2.075 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC2 ZINC000436977727 315018972 /nfs/dbraw/zinc/01/89/72/315018972.db2.gz SKGFCLYZCIMBQW-CYBMUJFWSA-N -1 0 344.371 2.365 20 5 EEBDRM Cc1cc(N2CC[S@](=O)C(C)(C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000514938082 316441958 /nfs/dbraw/zinc/44/19/58/316441958.db2.gz BCGDBOZJLDUNFD-QHCPKHFHSA-N -1 0 340.401 2.339 20 5 EEBDRM CC[C@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000517570993 316676743 /nfs/dbraw/zinc/67/67/43/316676743.db2.gz KHOMKRRGKLGIBO-CBAPKCEASA-N -1 0 337.254 2.110 20 5 EEBDRM CCC(CC)(NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000518765434 316744088 /nfs/dbraw/zinc/74/40/88/316744088.db2.gz ZUYZGIYSKSUKAO-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM COc1ccc(CC(=O)N(CCC(=O)[O-])CC(C)C)cc1[N+](=O)[O-] ZINC000537401820 318016851 /nfs/dbraw/zinc/01/68/51/318016851.db2.gz AFZSXSBWTLWIFF-UHFFFAOYSA-N -1 0 338.360 2.105 20 5 EEBDRM CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000547922548 318334203 /nfs/dbraw/zinc/33/42/03/318334203.db2.gz GCPFDLUDHUCQGC-ZWNOBZJWSA-N -1 0 344.389 2.023 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC000565037735 319142175 /nfs/dbraw/zinc/14/21/75/319142175.db2.gz BCEJGVYLCHHXLC-QMMMGPOBSA-N -1 0 349.265 2.236 20 5 EEBDRM C[C@@H](CC(C)(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566317435 319274222 /nfs/dbraw/zinc/27/42/22/319274222.db2.gz OLMUCISMWRWNPG-VIFPVBQESA-N -1 0 344.389 2.396 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)CC(=O)[O-] ZINC000566504828 319295899 /nfs/dbraw/zinc/29/58/99/319295899.db2.gz AWXNSTPIJHVIQX-UWVGGRQHSA-N -1 0 326.374 2.397 20 5 EEBDRM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C(=O)[O-] ZINC000567587852 319394075 /nfs/dbraw/zinc/39/40/75/319394075.db2.gz ADPYNSOKAJYMEG-CBAPKCEASA-N -1 0 344.165 2.299 20 5 EEBDRM Cc1cc(NC[C@@H](CO)Cc2ccco2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568637607 319506351 /nfs/dbraw/zinc/50/63/51/319506351.db2.gz UIJHWZSIYXABGS-NSHDSACASA-N -1 0 334.328 2.458 20 5 EEBDRM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000573352294 319926876 /nfs/dbraw/zinc/92/68/76/319926876.db2.gz LGFXIYILZDXIPC-GFCCVEGCSA-N -1 0 330.340 2.324 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000578403266 320311897 /nfs/dbraw/zinc/31/18/97/320311897.db2.gz MEYLERSRMOFWPZ-ZDUSSCGKSA-N -1 0 349.368 2.324 20 5 EEBDRM CC(C)n1ncc2c1C[C@@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000580196851 324014328 /nfs/dbraw/zinc/01/43/28/324014328.db2.gz GJAKJGOKQMSRGV-LBPRGKRZSA-N -1 0 345.359 2.435 20 5 EEBDRM Cc1cc(NCCCOC[C@H]2CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582303957 324426120 /nfs/dbraw/zinc/42/61/20/324426120.db2.gz VCOPPRCNQGLSAG-GFCCVEGCSA-N -1 0 338.360 2.457 20 5 EEBDRM C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000584031525 324780815 /nfs/dbraw/zinc/78/08/15/324780815.db2.gz UFZGSRNIUMAACX-FZMZJTMJSA-N -1 0 335.360 2.032 20 5 EEBDRM Cc1nnc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000152344234 463678574 /nfs/dbraw/zinc/67/85/74/463678574.db2.gz DLZAJNAQRXOPLG-UHFFFAOYSA-N -1 0 328.375 2.172 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000328304837 465059871 /nfs/dbraw/zinc/05/98/71/465059871.db2.gz NMIDJYOMKWWSFT-INIZCTEOSA-N -1 0 340.335 2.348 20 5 EEBDRM COc1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000336871820 465063891 /nfs/dbraw/zinc/06/38/91/465063891.db2.gz IUJYSHZVTIACHQ-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM O=C([O-])COc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000336886140 465081840 /nfs/dbraw/zinc/08/18/40/465081840.db2.gz FKNTVWHJWSGOIA-UHFFFAOYSA-N -1 0 346.295 2.076 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)OC(C)C ZINC000358534251 465178552 /nfs/dbraw/zinc/17/85/52/465178552.db2.gz LJNDONPKNFXMAI-GFCCVEGCSA-N -1 0 338.360 2.397 20 5 EEBDRM Cc1nn(C)c2nc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc12 ZINC000356326052 465313851 /nfs/dbraw/zinc/31/38/51/465313851.db2.gz XKBSFKQACCUNNE-UHFFFAOYSA-N -1 0 341.327 2.451 20 5 EEBDRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066250045 462867485 /nfs/dbraw/zinc/86/74/85/462867485.db2.gz FITCSLLBOQYEFA-UHFFFAOYSA-N -1 0 330.391 2.310 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000158588738 463242635 /nfs/dbraw/zinc/24/26/35/463242635.db2.gz BYVBSVZHRPBULT-UHFFFAOYSA-N -1 0 349.324 2.139 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc([N+](=O)[O-])c1C ZINC000070825624 463386773 /nfs/dbraw/zinc/38/67/73/463386773.db2.gz JDFKDDTZXSVFNU-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000103059979 463394620 /nfs/dbraw/zinc/39/46/20/463394620.db2.gz JKHNERDAWRVAJJ-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1C ZINC000163939337 463610013 /nfs/dbraw/zinc/61/00/13/463610013.db2.gz RXFRKHOGVYRGJN-UHFFFAOYSA-N -1 0 347.356 2.284 20 5 EEBDRM O=C(Nc1cnn(CC(F)(F)F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164689507 463629863 /nfs/dbraw/zinc/62/98/63/463629863.db2.gz MVLXRCDLJVEZNY-UHFFFAOYSA-N -1 0 330.222 2.312 20 5 EEBDRM CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000185022182 463736917 /nfs/dbraw/zinc/73/69/17/463736917.db2.gz LDLRAHPKKGNPNL-SNVBAGLBSA-N -1 0 345.149 2.340 20 5 EEBDRM CSc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000261904042 463893408 /nfs/dbraw/zinc/89/34/08/463893408.db2.gz PGTKHJIDRPVJPG-GXSJLCMTSA-N -1 0 338.385 2.500 20 5 EEBDRM O=C(NCCCn1cnc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194746227 463921716 /nfs/dbraw/zinc/92/17/16/463921716.db2.gz UZGCMRKXQPHIJN-UHFFFAOYSA-N -1 0 340.339 2.470 20 5 EEBDRM CN(CC(=O)Nc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194745935 463922275 /nfs/dbraw/zinc/92/22/75/463922275.db2.gz HRQUUVLVRBPLGI-UHFFFAOYSA-N -1 0 329.312 2.011 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000287656348 463958709 /nfs/dbraw/zinc/95/87/09/463958709.db2.gz BFRIUFFFLVTFNG-ZDUSSCGKSA-N -1 0 348.277 2.220 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237064389 464258582 /nfs/dbraw/zinc/25/85/82/464258582.db2.gz VIPKJUGOWCCOEQ-LLVKDONJSA-N -1 0 346.343 2.106 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@H](CO)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000568887720 468402141 /nfs/dbraw/zinc/40/21/41/468402141.db2.gz FAYQHXQQIRSPEH-NSHDSACASA-N -1 0 349.318 2.090 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000180757973 464387499 /nfs/dbraw/zinc/38/74/99/464387499.db2.gz NXFKIRJEIRYDGR-UHFFFAOYSA-N -1 0 329.284 2.377 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000180757555 464387736 /nfs/dbraw/zinc/38/77/36/464387736.db2.gz CLHHQLSUFRYWBN-UHFFFAOYSA-N -1 0 329.284 2.377 20 5 EEBDRM O=C(NC[C@H]1COC2(CCCCC2)O1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272577783 464666778 /nfs/dbraw/zinc/66/67/78/464666778.db2.gz PYZJLCGYEUSBHF-AWEZNQCLSA-N -1 0 336.344 2.106 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CCCCO)cc1C ZINC000295744549 464949423 /nfs/dbraw/zinc/94/94/23/464949423.db2.gz NRUIOOHCTSHTJZ-LBPRGKRZSA-N -1 0 330.406 2.041 20 5 EEBDRM Cc1cccc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)c1[N+](=O)[O-] ZINC000339597044 465373150 /nfs/dbraw/zinc/37/31/50/465373150.db2.gz VXADJMOEVLQGGO-UHFFFAOYSA-N -1 0 341.352 2.491 20 5 EEBDRM O=C(N=c1nc(-c2cccnc2)[n-]s1)c1ccc([N+](=O)[O-])cc1F ZINC000339599489 465375628 /nfs/dbraw/zinc/37/56/28/465375628.db2.gz BYGCUNXULBPEQX-UHFFFAOYSA-N -1 0 345.315 2.322 20 5 EEBDRM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1C ZINC000314436083 466549999 /nfs/dbraw/zinc/54/99/99/466549999.db2.gz HORHSELPHQLLPO-FOGDFJRCSA-N -1 0 328.390 2.403 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2O)cc1[N+](=O)[O-] ZINC000320099524 466604396 /nfs/dbraw/zinc/60/43/96/466604396.db2.gz QDZRZZTTYDHSRN-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000363845652 466635718 /nfs/dbraw/zinc/63/57/18/466635718.db2.gz AVVVFQWEAQHJOD-QGZVFWFLSA-N -1 0 346.314 2.173 20 5 EEBDRM O=C([O-])c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1F ZINC000323879346 466641866 /nfs/dbraw/zinc/64/18/66/466641866.db2.gz MXXRZRQTOIYXGK-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000324749460 466649044 /nfs/dbraw/zinc/64/90/44/466649044.db2.gz PVNYGOOOTDWHCS-OAHLLOKOSA-N -1 0 326.308 2.419 20 5 EEBDRM COc1cc(CNc2cccc3c2OCC(=O)N3)c([N+](=O)[O-])cc1O ZINC000377762304 467135068 /nfs/dbraw/zinc/13/50/68/467135068.db2.gz RLIQXXHPHKUVOO-UHFFFAOYSA-N -1 0 345.311 2.252 20 5 EEBDRM COCc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc(C(=O)[O-])c1 ZINC000427663779 467171693 /nfs/dbraw/zinc/17/16/93/467171693.db2.gz PNTBJNJOIQUPSF-UHFFFAOYSA-N -1 0 345.311 2.274 20 5 EEBDRM C[C@H]1Oc2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2NC1=O ZINC000427909351 467185640 /nfs/dbraw/zinc/18/56/40/467185640.db2.gz SOVJIUALXVPAKJ-MRVPVSSYSA-N -1 0 343.295 2.272 20 5 EEBDRM C[S@](=O)Cc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000428022839 467194408 /nfs/dbraw/zinc/19/44/08/467194408.db2.gz NRKBHBWLUUTONF-QHCPKHFHSA-N -1 0 334.353 2.431 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000431788740 467537883 /nfs/dbraw/zinc/53/78/83/467537883.db2.gz MOCPUOHDXCTGHO-AWEZNQCLSA-N -1 0 335.360 2.452 20 5 EEBDRM CC(C)(C)OC(=O)N1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000494130999 468030858 /nfs/dbraw/zinc/03/08/58/468030858.db2.gz DYMKDQCIDNLTHQ-JTQLQIEISA-N -1 0 339.348 2.479 20 5 EEBDRM CCOC[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000517150472 468072938 /nfs/dbraw/zinc/07/29/38/468072938.db2.gz OHLYOVGWQSFTNO-VIFPVBQESA-N -1 0 328.752 2.452 20 5 EEBDRM Cc1cc(N2CCC[C@H](n3ccnn3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000518381651 468114193 /nfs/dbraw/zinc/11/41/93/468114193.db2.gz YDOSHIBDMLSHQK-NSHDSACASA-N -1 0 331.332 2.034 20 5 EEBDRM CN(C)c1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000567980661 468247982 /nfs/dbraw/zinc/24/79/82/468247982.db2.gz ISHLRUXBCZEIEW-UHFFFAOYSA-N -1 0 330.344 2.295 20 5 EEBDRM Cc1cc(=O)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1C ZINC000582859652 468606957 /nfs/dbraw/zinc/60/69/57/468606957.db2.gz WYXJPTSYTKKVQK-UHFFFAOYSA-N -1 0 337.719 2.213 20 5 EEBDRM CC(C)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000594538356 468616547 /nfs/dbraw/zinc/61/65/47/468616547.db2.gz PGHFHDQARSMIQM-ZDUSSCGKSA-N -1 0 337.376 2.486 20 5 EEBDRM C[C@@H]1CCCCN1C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000594570762 468624075 /nfs/dbraw/zinc/62/40/75/468624075.db2.gz WCLXICRRQCBFMX-RISCZKNCSA-N -1 0 335.360 2.175 20 5 EEBDRM CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1O ZINC000583026572 468632834 /nfs/dbraw/zinc/63/28/34/468632834.db2.gz GWELOQBWXCRPCK-LLVKDONJSA-N -1 0 328.752 2.187 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(F)(F)F ZINC000594723620 468664497 /nfs/dbraw/zinc/66/44/97/468664497.db2.gz HBFYZRHAFVYODN-ZETCQYMHSA-N -1 0 349.290 2.372 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000600883213 468675445 /nfs/dbraw/zinc/67/54/45/468675445.db2.gz XZZPDZMOHZWMBD-YRGRVCCFSA-N -1 0 347.371 2.109 20 5 EEBDRM O=C([O-])c1cnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000600941748 468691078 /nfs/dbraw/zinc/69/10/78/468691078.db2.gz ILFSSAPFFABMCO-UHFFFAOYSA-N -1 0 334.357 2.076 20 5 EEBDRM C[C@@](CCF)(NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000595247571 468792681 /nfs/dbraw/zinc/79/26/81/468792681.db2.gz CIQSTBZCAPEWIW-HNNXBMFYSA-N -1 0 341.339 2.106 20 5 EEBDRM CC(=O)NCC(C)(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000593579932 469045541 /nfs/dbraw/zinc/04/55/41/469045541.db2.gz DLWIWMLSZAKCGX-UHFFFAOYSA-N -1 0 329.740 2.055 20 5 EEBDRM Cc1cc(NCC2(C(=O)[O-])CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595977651 469104675 /nfs/dbraw/zinc/10/46/75/469104675.db2.gz NDJWWZNWDAGYFV-UHFFFAOYSA-N -1 0 342.355 2.449 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H](O)[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000595979125 469104971 /nfs/dbraw/zinc/10/49/71/469104971.db2.gz REZUAVBAWSBOIR-DQBIJJQNSA-N -1 0 334.250 2.250 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593746980 469122389 /nfs/dbraw/zinc/12/23/89/469122389.db2.gz ZSAXQJRUMRZCFQ-HNNXBMFYSA-N -1 0 332.316 2.084 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000574043755 469251746 /nfs/dbraw/zinc/25/17/46/469251746.db2.gz RTYIUWVLODJCDL-UWVGGRQHSA-N -1 0 348.277 2.290 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000611558002 469278904 /nfs/dbraw/zinc/27/89/04/469278904.db2.gz QMGMFDRFETXTRG-CPCISQLKSA-N -1 0 334.250 2.092 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000619542767 469634787 /nfs/dbraw/zinc/63/47/87/469634787.db2.gz RPVRDPMIYWMKBW-CQSZACIVSA-N -1 0 347.302 2.359 20 5 EEBDRM O=C(NC[C@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613954416 469822234 /nfs/dbraw/zinc/82/22/34/469822234.db2.gz MFUQRSRLBKXKEX-MRXNPFEDSA-N -1 0 328.324 2.344 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCCC[C@@H]1c1ncon1 ZINC000189649212 534719417 /nfs/dbraw/zinc/71/94/17/534719417.db2.gz MMQTVTIKDCYCKU-GFCCVEGCSA-N -1 0 332.316 2.441 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)c1 ZINC000263013164 536949841 /nfs/dbraw/zinc/94/98/41/536949841.db2.gz XJVGYMDPOLWSTK-INIZCTEOSA-N -1 0 336.344 2.176 20 5 EEBDRM Cc1cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])s1 ZINC000738473847 578016496 /nfs/dbraw/zinc/01/64/96/578016496.db2.gz BEKQQPPQDTZQKP-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-])OCc1ccccc1 ZINC000773378269 577337966 /nfs/dbraw/zinc/33/79/66/577337966.db2.gz YIKHMXAJKUPYTG-UHFFFAOYSA-N -1 0 344.323 2.164 20 5 EEBDRM CCCCc1nnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000775094967 577429560 /nfs/dbraw/zinc/42/95/60/577429560.db2.gz IUDFXSYQGRPMFB-UHFFFAOYSA-N -1 0 332.363 2.183 20 5 EEBDRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000768862157 577564481 /nfs/dbraw/zinc/56/44/81/577564481.db2.gz HZJFFBHFTGCVLR-UHFFFAOYSA-N -1 0 349.419 2.076 20 5 EEBDRM Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])nn1-c1ccccc1 ZINC000770858397 577604954 /nfs/dbraw/zinc/60/49/54/577604954.db2.gz SWJRPNYVDDDMOS-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM CC1(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000762738278 577706789 /nfs/dbraw/zinc/70/67/89/577706789.db2.gz OFBYMEAHLYLAOZ-UHFFFAOYSA-N -1 0 340.401 2.164 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000752978417 577779450 /nfs/dbraw/zinc/77/94/50/577779450.db2.gz YDZWMSXGZOZTSS-VMPITWQZSA-N -1 0 330.300 2.147 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc([N+](=O)[O-])c1 ZINC000738670612 578023421 /nfs/dbraw/zinc/02/34/21/578023421.db2.gz YGVCGJZHTXUDQY-JTQLQIEISA-N -1 0 344.327 2.036 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)OCc1noc(CCCC(=O)[O-])n1 ZINC000738746912 578025615 /nfs/dbraw/zinc/02/56/15/578025615.db2.gz NOMGSOTYHSIWTK-UHFFFAOYSA-N -1 0 349.299 2.051 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)COc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000739328710 578048704 /nfs/dbraw/zinc/04/87/04/578048704.db2.gz MKGMSRCHCZSLRL-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C([O-])CCSCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000739744235 578066451 /nfs/dbraw/zinc/06/64/51/578066451.db2.gz LHOJIVYJEZNGFD-UHFFFAOYSA-N -1 0 332.765 2.186 20 5 EEBDRM O=C([O-])c1cc(OS(=O)(=O)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000740088319 578080357 /nfs/dbraw/zinc/08/03/57/578080357.db2.gz SKDSEBPNNQJUAR-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM C[C@H](NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000736644513 578216084 /nfs/dbraw/zinc/21/60/84/578216084.db2.gz APQIBFBDJBHRBS-CMPLNLGQSA-N -1 0 336.348 2.097 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NCc2ccoc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657151 578216868 /nfs/dbraw/zinc/21/68/68/578216868.db2.gz PRUKZNUJFXDWGF-SECBINFHSA-N -1 0 333.300 2.003 20 5 EEBDRM CCOc1ccc(C[C@@H](CNc2ccncc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737205504 578243668 /nfs/dbraw/zinc/24/36/68/578243668.db2.gz KDYRAHRTJFRSIQ-ZDUSSCGKSA-N -1 0 345.355 2.166 20 5 EEBDRM C[C@H]1Oc2ccc(Nc3nccc(C(=O)[O-])c3[N+](=O)[O-])cc2NC1=O ZINC000737764352 578269173 /nfs/dbraw/zinc/26/91/73/578269173.db2.gz FPYTXUJOPWVSJE-SSDOTTSWSA-N -1 0 344.283 2.151 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C(=O)[O-])cc1 ZINC000737963663 578274718 /nfs/dbraw/zinc/27/47/18/578274718.db2.gz ZWNGLNWEQGOIAN-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000261740101 597138496 /nfs/dbraw/zinc/13/84/96/597138496.db2.gz NUJFANCOTPYZPI-UHFFFAOYSA-N -1 0 325.321 2.368 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013171142 600014883 /nfs/dbraw/zinc/01/48/83/600014883.db2.gz RQUBRQNIANTVLT-WDEREUQCSA-N -1 0 338.385 2.399 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000833177942 601081130 /nfs/dbraw/zinc/08/11/30/601081130.db2.gz CVPIXKPPFVWDDA-DGCLKSJQSA-N -1 0 335.360 2.419 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCc1cccnc1 ZINC000833308327 601248192 /nfs/dbraw/zinc/24/81/92/601248192.db2.gz VNVMBQKLEGFFJE-UHFFFAOYSA-N -1 0 332.272 2.251 20 5 EEBDRM C[C@H](CO[C@H]1CCOC1)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000827517156 601562288 /nfs/dbraw/zinc/56/22/88/601562288.db2.gz FXMIGTBCECXOLY-QIPCVNDGSA-N -1 0 336.344 2.299 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)COc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000828730919 602125107 /nfs/dbraw/zinc/12/51/07/602125107.db2.gz XELBUJGORRUUGX-PELKAZGASA-N -1 0 344.751 2.243 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2nc(C(F)(F)F)c[nH]2)cc([N+](=O)[O-])c1 ZINC000833298517 602147164 /nfs/dbraw/zinc/14/71/64/602147164.db2.gz XZKLRECDIOIWHV-UHFFFAOYSA-N -1 0 344.205 2.287 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCNc2cnccn2)cc1Cl ZINC000833307114 602254074 /nfs/dbraw/zinc/25/40/74/602254074.db2.gz LHCUGMLMDSPGJI-UHFFFAOYSA-N -1 0 337.723 2.260 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@@H](O)C2CCOCC2)cc1Cl ZINC000833306785 604267878 /nfs/dbraw/zinc/26/78/78/604267878.db2.gz HTGVCKITYXQISR-CYBMUJFWSA-N -1 0 344.751 2.146 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000833145825 604815895 /nfs/dbraw/zinc/81/58/95/604815895.db2.gz PLPCMFXHASYBKG-UHFFFAOYSA-N -1 0 332.287 2.405 20 5 EEBDRM CC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833387907 605017501 /nfs/dbraw/zinc/01/75/01/605017501.db2.gz NIZSDHCRCUKSOA-VIFPVBQESA-N -1 0 341.341 2.296 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCCCC(=O)[O-] ZINC000833539074 605279670 /nfs/dbraw/zinc/27/96/70/605279670.db2.gz KGFMFGWVSJVYDQ-QMMMGPOBSA-N -1 0 331.708 2.424 20 5 EEBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000833419118 605527649 /nfs/dbraw/zinc/52/76/49/605527649.db2.gz ZFRIWCAVELZGPX-SNVBAGLBSA-N -1 0 335.360 2.140 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1=CCCCCC1 ZINC000126997370 684694117 /nfs/dbraw/zinc/69/41/17/684694117.db2.gz XSUYHOHXSASFET-UHFFFAOYSA-N -1 0 342.348 2.429 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000125137481 1198978334 /nfs/dbraw/zinc/97/83/34/1198978334.db2.gz PKHVNHGIBQYSQB-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM CN(CC(F)(F)Br)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000813765158 1199162529 /nfs/dbraw/zinc/16/25/29/1199162529.db2.gz NZNDZQJJFPPLHC-UHFFFAOYSA-N -1 0 339.092 2.360 20 5 EEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000877774249 1200088491 /nfs/dbraw/zinc/08/84/91/1200088491.db2.gz BVABYKZQOWEKCU-CYBMUJFWSA-N -1 0 331.294 2.238 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cnc1Cl ZINC000078770445 1210396291 /nfs/dbraw/zinc/39/62/91/1210396291.db2.gz FVEMJJYILYMRGM-UHFFFAOYSA-N -1 0 342.764 2.335 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C1CCC1 ZINC000850886507 1277380689 /nfs/dbraw/zinc/38/06/89/1277380689.db2.gz XLQOPTJWOXBXQW-UHFFFAOYSA-N -1 0 344.364 2.365 20 5 EEBDRM CCCC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000780456162 1286132646 /nfs/dbraw/zinc/13/26/46/1286132646.db2.gz AHRQGHBNRFYZLE-GFCCVEGCSA-N -1 0 339.348 2.046 20 5 EEBDRM C[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000853030262 1292259104 /nfs/dbraw/zinc/25/91/04/1292259104.db2.gz UHZAAFWULBWXOV-PSLIRLAXSA-N -1 0 344.314 2.471 20 5 EEBDRM C[C@H](Oc1[n-]c(=O)nnc1Br)c1cccc([N+](=O)[O-])c1 ZINC001227067403 1301671589 /nfs/dbraw/zinc/67/15/89/1301671589.db2.gz XOWBKJAHHQECLK-LURJTMIESA-N -1 0 341.121 2.388 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(O[C@@H]4CCOC[C@@H]4F)c3nc2cc1C ZINC001228683815 1302379173 /nfs/dbraw/zinc/37/91/73/1302379173.db2.gz DEXGNCVDKCRVEU-GXFFZTMASA-N -1 0 344.346 2.401 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(OC[C@@H]4CCCO4)c3nc2cc1C ZINC001228687075 1302381698 /nfs/dbraw/zinc/38/16/98/1302381698.db2.gz REBPYDQAOMUMKZ-NSHDSACASA-N -1 0 326.356 2.453 20 5 EEBDRM CC[C@@H](CC(=O)OC)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228859035 1302488650 /nfs/dbraw/zinc/48/86/50/1302488650.db2.gz HNDXZNNBMVEGRF-LURJTMIESA-N -1 0 338.238 2.435 20 5 EEBDRM O=c1ccoc2cc([O-])cc(O[C@H](C[N+](=O)[O-])c3cccnc3)c12 ZINC001233834659 1304607148 /nfs/dbraw/zinc/60/71/48/1304607148.db2.gz QLKXITPKHOBJLD-OAHLLOKOSA-N -1 0 328.280 2.290 20 5 EEBDRM CC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000835275686 1314908846 /nfs/dbraw/zinc/90/88/46/1314908846.db2.gz GKJMROIHXFAFMA-ZJUUUORDSA-N -1 0 344.364 2.365 20 5 EEBDRM CCCCCC(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842405801 1315698402 /nfs/dbraw/zinc/69/84/02/1315698402.db2.gz OLKCCYGBLCAFPM-UHFFFAOYSA-N -1 0 328.390 2.430 20 5 EEBDRM Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)s1 ZINC001600483345 1350062411 /nfs/dbraw/zinc/06/24/11/1350062411.db2.gz BEDOAUWRNBYYMM-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)C2SCCCS2)cc1[N+](=O)[O-] ZINC001602388995 1350508662 /nfs/dbraw/zinc/50/86/62/1350508662.db2.gz SZGXRSJLZSNSMS-UHFFFAOYSA-N -1 0 329.355 2.395 20 5 EEBDRM CCc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2N)sc1C(=O)[O-] ZINC001605854568 1351237580 /nfs/dbraw/zinc/23/75/80/1351237580.db2.gz CIMPJOONJVVAQB-UHFFFAOYSA-N -1 0 336.329 2.146 20 5 EEBDRM Cc1cc(OS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607703359 1351542718 /nfs/dbraw/zinc/54/27/18/1351542718.db2.gz VFAQAMFUTHDIBN-AAEUAGOBSA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cc1Cl ZINC001607708662 1351543716 /nfs/dbraw/zinc/54/37/16/1351543716.db2.gz JHIWKEYTFKPEIP-XVKPBYJWSA-N -1 0 348.689 2.252 20 5 EEBDRM O=C([O-])C1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC001608574474 1351718912 /nfs/dbraw/zinc/71/89/12/1351718912.db2.gz BMSLZRHFOAUCLG-UHFFFAOYSA-N -1 0 349.748 2.212 20 5 EEBDRM O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1cn[n-]c1Cl ZINC001309312309 1331626207 /nfs/dbraw/zinc/62/62/07/1331626207.db2.gz HIEDJNAOQOWRDV-UHFFFAOYSA-N -1 0 338.128 2.392 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCc2cnc3n2CCOC3)c([N+](=O)[O-])c1 ZINC001608661327 1351736885 /nfs/dbraw/zinc/73/68/85/1351736885.db2.gz SIZOLZPHFAWDTG-RQOWECAXSA-N -1 0 344.327 2.031 20 5 EEBDRM O=C([O-])CCCCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001608713266 1351747351 /nfs/dbraw/zinc/74/73/51/1351747351.db2.gz KAAZALBGZWRKLZ-UHFFFAOYSA-N -1 0 334.288 2.140 20 5 EEBDRM O=C([O-])Cc1ccc(NCCCN2CCCCC2=O)c([N+](=O)[O-])c1 ZINC001608780265 1351761809 /nfs/dbraw/zinc/76/18/09/1351761809.db2.gz CDXQCSMAQUBSKO-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001608805656 1351767954 /nfs/dbraw/zinc/76/79/54/1351767954.db2.gz BLFMYDKLWVTODO-APPZFPTMSA-N -1 0 349.748 2.210 20 5 EEBDRM O=C([O-])c1cc(F)ccc1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC001608851397 1351778693 /nfs/dbraw/zinc/77/86/93/1351778693.db2.gz ZESSBSKJFBPVNV-UHFFFAOYSA-N -1 0 332.243 2.388 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1cccnc1F ZINC001608863780 1351780761 /nfs/dbraw/zinc/78/07/61/1351780761.db2.gz ULWANBPWHHLWHN-UHFFFAOYSA-N -1 0 336.235 2.347 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ncccc1F ZINC001608863864 1351780811 /nfs/dbraw/zinc/78/08/11/1351780811.db2.gz XPZNDPSLHMMWCE-UHFFFAOYSA-N -1 0 336.235 2.347 20 5 EEBDRM O=C([O-])c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC001608937737 1351798583 /nfs/dbraw/zinc/79/85/83/1351798583.db2.gz OLDHCJSQSVSUSO-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM O=C([O-])c1cncc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC001608980096 1351806816 /nfs/dbraw/zinc/80/68/16/1351806816.db2.gz JWMOSTFAJHLLKA-UHFFFAOYSA-N -1 0 346.295 2.314 20 5 EEBDRM O=C([O-])c1ncccc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001609000068 1351811499 /nfs/dbraw/zinc/81/14/99/1351811499.db2.gz IFTKCJCGWXUZSQ-NWDGAFQWSA-N -1 0 327.296 2.430 20 5 EEBDRM O=C([O-])c1occc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001609005975 1351812864 /nfs/dbraw/zinc/81/28/64/1351812864.db2.gz GPLJRWFXRCSBPR-UHFFFAOYSA-N -1 0 329.268 2.297 20 5 EEBDRM COC(=O)[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC001321350183 1333080780 /nfs/dbraw/zinc/08/07/80/1333080780.db2.gz OTVAHCCDCSIIFY-KRWDZBQOSA-N -1 0 344.323 2.119 20 5 EEBDRM Cc1coc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1C ZINC001323560220 1333489136 /nfs/dbraw/zinc/48/91/36/1333489136.db2.gz FGJHUOPQUYRLKN-UHFFFAOYSA-N -1 0 342.304 2.062 20 5 EEBDRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1ccc([N+](=O)[O-])cc1F ZINC001609636276 1352047398 /nfs/dbraw/zinc/04/73/98/1352047398.db2.gz RAPFIKUVIUVKTK-MRVPVSSYSA-N -1 0 336.275 2.445 20 5 EEBDRM CC(C)(CCC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)[N+](=O)[O-] ZINC001609673805 1352055630 /nfs/dbraw/zinc/05/56/30/1352055630.db2.gz IDNNVXFCWHQERI-MRVPVSSYSA-N -1 0 341.389 2.107 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)COc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001609905914 1352116119 /nfs/dbraw/zinc/11/61/19/1352116119.db2.gz WTNSPTJMIRQBCF-ISVAXAHUSA-N -1 0 344.751 2.243 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001609909720 1352117573 /nfs/dbraw/zinc/11/75/73/1352117573.db2.gz FBAYLSDSDXOTIX-UHFFFAOYSA-N -1 0 346.343 2.313 20 5 EEBDRM CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001610095127 1352160689 /nfs/dbraw/zinc/16/06/89/1352160689.db2.gz KRNMPDUVKSMCDT-UHFFFAOYSA-N -1 0 348.286 2.474 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001610103889 1352163031 /nfs/dbraw/zinc/16/30/31/1352163031.db2.gz DDMQEYQFFQBXFE-UHFFFAOYSA-N -1 0 334.284 2.309 20 5 EEBDRM COc1ccc(COC(=O)c2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001610336042 1352207390 /nfs/dbraw/zinc/20/73/90/1352207390.db2.gz CBOPVAKWDAEYJL-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC001610347823 1352209180 /nfs/dbraw/zinc/20/91/80/1352209180.db2.gz KGWPAPDZCWLXJZ-LBPRGKRZSA-N -1 0 336.325 2.221 20 5 EEBDRM Cc1c(NC(=O)NCC[C@@H]2CCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610424935 1352220650 /nfs/dbraw/zinc/22/06/50/1352220650.db2.gz RPPQULMRKTZFCL-SNVBAGLBSA-N -1 0 337.332 2.150 20 5 EEBDRM Cc1cc(NC(=O)C[C@H](C)CC(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC001610470692 1352227994 /nfs/dbraw/zinc/22/79/94/1352227994.db2.gz JPIQVLWBHKTIRM-VIFPVBQESA-N -1 0 331.328 2.313 20 5 EEBDRM Cc1cc(NCCc2cccc(C(N)=O)c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610474940 1352228679 /nfs/dbraw/zinc/22/86/79/1352228679.db2.gz CPFQJUKUBRYRBV-UHFFFAOYSA-N -1 0 343.339 2.355 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001610648778 1352257531 /nfs/dbraw/zinc/25/75/31/1352257531.db2.gz FXAUXYXZDVSRLT-UHFFFAOYSA-N -1 0 325.277 2.328 20 5 EEBDRM O=C([O-])C12CC(C(=O)OCc3c(F)cc([N+](=O)[O-])cc3F)(C1)C2 ZINC001610729828 1352266022 /nfs/dbraw/zinc/26/60/22/1352266022.db2.gz BSKWIQHXLZPRRS-UHFFFAOYSA-N -1 0 327.239 2.171 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(Cl)nc2Cl)c1 ZINC001610817423 1352279879 /nfs/dbraw/zinc/27/98/79/1352279879.db2.gz IRKNVYMVOUVFAP-UHFFFAOYSA-N -1 0 344.110 2.205 20 5 EEBDRM O=C([O-])c1sccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001610875886 1352289141 /nfs/dbraw/zinc/28/91/41/1352289141.db2.gz BDALSVAAAOAJKO-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM O=[N+]([O-])c1cn([C@H]2CCc3cc(Cl)ccc32)nc1-c1nnn[n-]1 ZINC001582805043 1344792838 /nfs/dbraw/zinc/79/28/38/1344792838.db2.gz WYHOOYKWEWLYRR-JTQLQIEISA-N -1 0 331.723 2.160 20 5 EEBDRM Cc1c(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc(F)c1C(=O)[O-] ZINC001600031119 1349958079 /nfs/dbraw/zinc/95/80/79/1349958079.db2.gz QOZHUXMXUZCRCO-AWEZNQCLSA-N -1 0 348.286 2.413 20 5 EEBDRM Cc1c(NC(=O)NCC(C)(C)CCO)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600040382 1349960216 /nfs/dbraw/zinc/96/02/16/1349960216.db2.gz RRWFVEWIGUHSQN-UHFFFAOYSA-N -1 0 339.348 2.132 20 5 EEBDRM Cc1c(NC(=O)N[C@H]2CCO[C@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041191 1349960543 /nfs/dbraw/zinc/96/05/43/1349960543.db2.gz QGOQDMXZOYZXNU-KCJUWKMLSA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600044726 1349961078 /nfs/dbraw/zinc/96/10/78/1349961078.db2.gz WFJIBUQHEGMKRT-UFGOTCBOSA-N -1 0 335.316 2.043 20 5 EEBDRM Cc1cc(OS(=O)(=O)CC2(C(=O)[O-])CCCC2)ccc1[N+](=O)[O-] ZINC001600291683 1350012434 /nfs/dbraw/zinc/01/24/34/1350012434.db2.gz OTMYARUBQNZDJS-UHFFFAOYSA-N -1 0 343.357 2.257 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001600489622 1350063705 /nfs/dbraw/zinc/06/37/05/1350063705.db2.gz VBGZMTOGBQKSAN-UHFFFAOYSA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC001600515134 1350070955 /nfs/dbraw/zinc/07/09/55/1350070955.db2.gz FLLUOZOZBYMPPQ-AWEZNQCLSA-N -1 0 329.312 2.244 20 5 EEBDRM Cc1sc(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)cc1[N+](=O)[O-] ZINC001600865718 1350155395 /nfs/dbraw/zinc/15/53/95/1350155395.db2.gz PMNUGEJBPKZLMK-GFCCVEGCSA-N -1 0 336.325 2.226 20 5 EEBDRM Cn1cc(-c2cc(COc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)on2)cn1 ZINC001600923469 1350169326 /nfs/dbraw/zinc/16/93/26/1350169326.db2.gz HDNZVRUWIMPPOU-UHFFFAOYSA-N -1 0 344.283 2.261 20 5 EEBDRM NC(=O)c1ccc(CCOc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC001601165151 1350223281 /nfs/dbraw/zinc/22/32/81/1350223281.db2.gz BUYRJCBWDXRYMH-UHFFFAOYSA-N -1 0 330.296 2.013 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC001601364603 1350267360 /nfs/dbraw/zinc/26/73/60/1350267360.db2.gz FBJHQOOPXMKCCD-CQSZACIVSA-N -1 0 332.287 2.219 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccnc1 ZINC001601404160 1350276103 /nfs/dbraw/zinc/27/61/03/1350276103.db2.gz VVNUDQRDDFIUAB-CQSZACIVSA-N -1 0 341.279 2.292 20 5 EEBDRM O=C([O-])C(=O)CCCOC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001601636456 1350325271 /nfs/dbraw/zinc/32/52/71/1350325271.db2.gz KMZNSXFYCCNNLM-UHFFFAOYSA-N -1 0 349.217 2.204 20 5 EEBDRM O=C([O-])[C@H](CC1CCOCC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001601646974 1350327601 /nfs/dbraw/zinc/32/76/01/1350327601.db2.gz ZZHWZPNNZJHEEL-AWEZNQCLSA-N -1 0 346.343 2.220 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@H]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001601882616 1350389957 /nfs/dbraw/zinc/38/99/57/1350389957.db2.gz KDZJTFXQDIOUBZ-QQHVMHFCSA-N -1 0 334.328 2.400 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001601955676 1350405057 /nfs/dbraw/zinc/40/50/57/1350405057.db2.gz JUQSOPKNODSZTB-UHFFFAOYSA-N -1 0 336.344 2.077 20 5 EEBDRM O=C([O-])c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccn1 ZINC001602258781 1350479939 /nfs/dbraw/zinc/47/99/39/1350479939.db2.gz JEYAWXZHMYMHDD-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCCOC(F)F ZINC001602298897 1350488223 /nfs/dbraw/zinc/48/82/23/1350488223.db2.gz BLKRMCMZHZJICT-UHFFFAOYSA-N -1 0 335.219 2.242 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2ccccc2OC2CC2)c1=O ZINC001602301344 1350488738 /nfs/dbraw/zinc/48/87/38/1350488738.db2.gz IVXSZYMHTAZBCD-UHFFFAOYSA-N -1 0 330.296 2.044 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](O)C(F)(F)C(F)(F)F)c1 ZINC001602405287 1350511830 /nfs/dbraw/zinc/51/18/30/1350511830.db2.gz QAKKDNMWFFUPMM-QMMMGPOBSA-N -1 0 344.192 2.263 20 5 EEBDRM O=C([O-])c1ccnc(NCc2cc(F)cnc2Cl)c1[N+](=O)[O-] ZINC001602484131 1350529836 /nfs/dbraw/zinc/52/98/36/1350529836.db2.gz UKIIDWKDWWGEPE-UHFFFAOYSA-N -1 0 326.671 2.488 20 5 EEBDRM O=C([O-])c1coc(C(=O)COc2c(Cl)cncc2[N+](=O)[O-])c1 ZINC001602548431 1350543760 /nfs/dbraw/zinc/54/37/60/1350543760.db2.gz RSWTUXSYJRQZMS-UHFFFAOYSA-N -1 0 326.648 2.196 20 5 EEBDRM C[C@H](C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001603180591 1350657146 /nfs/dbraw/zinc/65/71/46/1350657146.db2.gz GYRBFHOFZUXINE-JTQLQIEISA-N -1 0 346.343 2.353 20 5 EEBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001603187160 1350658026 /nfs/dbraw/zinc/65/80/26/1350658026.db2.gz DPUWFDOHIQYDJA-BONVTDFDSA-N -1 0 343.339 2.369 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001604087579 1350852102 /nfs/dbraw/zinc/85/21/02/1350852102.db2.gz FMRNKLSFIIHCAZ-INIZCTEOSA-N -1 0 329.312 2.110 20 5 EEBDRM C[C@H](CNC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC001604175807 1350883593 /nfs/dbraw/zinc/88/35/93/1350883593.db2.gz LKQHCVPJSDWGLR-LLVKDONJSA-N -1 0 335.360 2.205 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)[C@@H](C)CN1C ZINC001604811463 1351012679 /nfs/dbraw/zinc/01/26/79/1351012679.db2.gz FZNNVIBRZJCHOJ-IUCAKERBSA-N -1 0 327.768 2.475 20 5 EEBDRM COC[C@H]1CCCCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001605071092 1351071431 /nfs/dbraw/zinc/07/14/31/1351071431.db2.gz AVXQVLJPMIVLFX-NSHDSACASA-N -1 0 332.364 2.028 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001605776231 1351222705 /nfs/dbraw/zinc/22/27/05/1351222705.db2.gz URJYCIORRQVROX-CABZTGNLSA-N -1 0 346.343 2.072 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001606060935 1351267639 /nfs/dbraw/zinc/26/76/39/1351267639.db2.gz QUWQPDLNZZHTGI-UHFFFAOYSA-N -1 0 344.327 2.194 20 5 EEBDRM CO[C@@](C)([C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC001606658382 1351338340 /nfs/dbraw/zinc/33/83/40/1351338340.db2.gz OSUNBOKXAMIIKB-ABKXIKBNSA-N -1 0 336.344 2.226 20 5 EEBDRM COCC[C@@H](C)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001606853008 1351366936 /nfs/dbraw/zinc/36/69/36/1351366936.db2.gz YHQCRBTYRQRJLH-MRVPVSSYSA-N -1 0 327.293 2.286 20 5 EEBDRM COc1ccc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1[N+](=O)[O-] ZINC001607203976 1351448463 /nfs/dbraw/zinc/44/84/63/1351448463.db2.gz OCXABFVHMRROIS-CJNGLKHVSA-N -1 0 334.328 2.073 20 5 EEBDRM COc1cccc(C(=O)NCc2ccc(C(=O)[O-])s2)c1[N+](=O)[O-] ZINC001607304964 1351469633 /nfs/dbraw/zinc/46/96/33/1351469633.db2.gz QHKOGWREVDIRQW-UHFFFAOYSA-N -1 0 336.325 2.293 20 5 EEBDRM Cc1c(C(=O)N2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001607504806 1351507243 /nfs/dbraw/zinc/50/72/43/1351507243.db2.gz SWZFNKGBLBVAJQ-JUTUQKRISA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1cc(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)ccc1[N+](=O)[O-] ZINC001607574526 1351518301 /nfs/dbraw/zinc/51/83/01/1351518301.db2.gz ATNIIKZBVUVKJX-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1cc([C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C(=O)[O-])ccc1F ZINC001607614602 1351525702 /nfs/dbraw/zinc/52/57/02/1351525702.db2.gz JGRVVFCJYCBHRO-CQSZACIVSA-N -1 0 347.302 2.301 20 5 EEBDRM Cc1ccc2c(c1)nc(CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])n2C ZINC001607829254 1351566864 /nfs/dbraw/zinc/56/68/64/1351566864.db2.gz ONFMLLHMROPFKX-UHFFFAOYSA-N -1 0 341.327 2.495 20 5 EEBDRM Cc1ccn(C[C@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001607892367 1351580162 /nfs/dbraw/zinc/58/01/62/1351580162.db2.gz XJDQPBIAOBRSBJ-VIFPVBQESA-N -1 0 332.316 2.073 20 5 EEBDRM NC(=O)c1cc(NC[C@H](C(=O)[O-])C2CCCCC2)ccc1[N+](=O)[O-] ZINC001608239003 1351654411 /nfs/dbraw/zinc/65/44/11/1351654411.db2.gz FDVOMWUKAALBIC-ZDUSSCGKSA-N -1 0 335.360 2.387 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)OCCc1ccccc1C(=O)[O-] ZINC001608273505 1351660642 /nfs/dbraw/zinc/66/06/42/1351660642.db2.gz PESDDMRLZBRPAZ-UHFFFAOYSA-N -1 0 330.296 2.275 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccnc1 ZINC001608388077 1351683871 /nfs/dbraw/zinc/68/38/71/1351683871.db2.gz HRBVPBZMIBOSFK-AWEZNQCLSA-N -1 0 340.295 2.027 20 5 EEBDRM O=[N+]([O-])c1cccc(OS(=O)(=O)c2cn[n-]c2C(F)(F)F)c1 ZINC000820743225 786459025 /nfs/dbraw/zinc/45/90/25/786459025.db2.gz ARMJFKOUQSUWIB-UHFFFAOYSA-N -1 0 337.235 2.104 20 5 EEBDRM Cc1c(NC(=O)C(=O)[N-]OCc2ccccc2)cccc1[N+](=O)[O-] ZINC000122753273 796527230 /nfs/dbraw/zinc/52/72/30/796527230.db2.gz QBHHTJVVFCDFEY-UHFFFAOYSA-N -1 0 329.312 2.090 20 5 EEBDRM NC(=O)c1ccnc(Cl)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502622 797784209 /nfs/dbraw/zinc/78/42/09/797784209.db2.gz CZCAHSOWZVNFER-UHFFFAOYSA-N -1 0 336.691 2.184 20 5 EEBDRM COC(=O)c1ccc(OC)nc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504120 797785015 /nfs/dbraw/zinc/78/50/15/797785015.db2.gz FKFGCDOEBAKEBF-UHFFFAOYSA-N -1 0 347.283 2.227 20 5 EEBDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000786647910 806838801 /nfs/dbraw/zinc/83/88/01/806838801.db2.gz JJKRTIUAPUWCLI-UHFFFAOYSA-N -1 0 348.380 2.205 20 5 EEBDRM Cc1coc(C)c1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000793159261 810153110 /nfs/dbraw/zinc/15/31/10/810153110.db2.gz WRQVVFIGDBEZMF-UHFFFAOYSA-N -1 0 338.341 2.232 20 5 EEBDRM CCNc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001589960460 950739307 /nfs/dbraw/zinc/73/93/07/950739307.db2.gz YZWLZSOQMKRAGC-QMTHXVAHSA-N -1 0 335.360 2.352 20 5 EEBDRM CCOc1cc(NC(=O)C(C)(C)C(=O)[O-])c([N+](=O)[O-])cc1OCC ZINC001592211309 951314211 /nfs/dbraw/zinc/31/42/11/951314211.db2.gz OBYQEYQXZDPAFN-UHFFFAOYSA-N -1 0 340.332 2.442 20 5 EEBDRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC001595024748 951333296 /nfs/dbraw/zinc/33/32/96/951333296.db2.gz KUODTPMJZHGHEF-SNVBAGLBSA-N -1 0 344.327 2.002 20 5 EEBDRM O=C([O-])c1ncccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001594762969 953514326 /nfs/dbraw/zinc/51/43/26/953514326.db2.gz FEMVDLCNKGOEOT-UHFFFAOYSA-N -1 0 330.300 2.052 20 5 EEBDRM O=C([O-])[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001594795204 953710344 /nfs/dbraw/zinc/71/03/44/953710344.db2.gz BBEKDRLBCNADQE-HAQNSBGRSA-N -1 0 333.344 2.132 20 5 EEBDRM C[C@@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)[O-] ZINC001589320539 953863557 /nfs/dbraw/zinc/86/35/57/953863557.db2.gz NSDSEPUGZKJRQT-SKDRFNHKSA-N -1 0 342.298 2.398 20 5 EEBDRM C[C@@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC001589344151 954038258 /nfs/dbraw/zinc/03/82/58/954038258.db2.gz MIPQEZJWQYIBLE-SCZZXKLOSA-N -1 0 325.296 2.308 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001589183691 956547935 /nfs/dbraw/zinc/54/79/35/956547935.db2.gz HSPKEXNSZNSAQT-CYBMUJFWSA-N -1 0 328.271 2.152 20 5 EEBDRM Nc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC001594665818 956574321 /nfs/dbraw/zinc/57/43/21/956574321.db2.gz PGNJMDKVMPFWJP-JSGCOSHPSA-N -1 0 341.323 2.220 20 5 EEBDRM COCCN(CCC(=O)[O-])C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC001594005806 956972199 /nfs/dbraw/zinc/97/21/99/956972199.db2.gz ZVMONMGFAFUYIK-UHFFFAOYSA-N -1 0 339.348 2.167 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001521194610 958222184 /nfs/dbraw/zinc/22/21/84/958222184.db2.gz JVBAJAYSJIKVBO-SUNKGSAMSA-N -1 0 335.360 2.408 20 5 EEBDRM Cc1cccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(=O)[O-])c1 ZINC001594399399 958828307 /nfs/dbraw/zinc/82/83/07/958828307.db2.gz OBIXOKNFIAIISW-CQSZACIVSA-N -1 0 329.312 2.041 20 5 EEBDRM CN(C(=O)COc1ccccc1[N+](=O)[O-])C1(C(=O)[O-])CCCCC1 ZINC000261741370 961390516 /nfs/dbraw/zinc/39/05/16/961390516.db2.gz SVYRHTQPFRNKTM-UHFFFAOYSA-N -1 0 336.344 2.220 20 5 EEBDRM CC(C)[C@H](C(=O)[O-])C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001588808003 961488978 /nfs/dbraw/zinc/48/89/78/961488978.db2.gz LRKMDVVFCAAFTJ-AWEZNQCLSA-N -1 0 333.344 2.092 20 5 EEBDRM C[C@@H](OC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001604998720 972594199 /nfs/dbraw/zinc/59/41/99/972594199.db2.gz WEBUNNYZTZVERH-GRYCIOLGSA-N -1 0 337.328 2.469 20 5 EEBDRM O=C([O-])C1(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC=CC1 ZINC001605928567 972845109 /nfs/dbraw/zinc/84/51/09/972845109.db2.gz KSUDPUIEVIEGBU-UHFFFAOYSA-N -1 0 338.747 2.328 20 5 EEBDRM Cc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C(=O)[O-])c1 ZINC001605327829 973172570 /nfs/dbraw/zinc/17/25/70/973172570.db2.gz HQQVZAIPUQGNCX-CQSZACIVSA-N -1 0 329.312 2.162 20 5 EEBDRM O=C([O-])CC1(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC001606074954 973232470 /nfs/dbraw/zinc/23/24/70/973232470.db2.gz QVWBTJNGZHMMNU-UHFFFAOYSA-N -1 0 339.275 2.105 20 5 EEBDRM O=C([O-])c1ccccc1C1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001606521716 974019835 /nfs/dbraw/zinc/01/98/35/974019835.db2.gz OOANIXRQFTXNHJ-UHFFFAOYSA-N -1 0 330.344 2.327 20 5 EEBDRM Nc1c(Cl)cc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001605653675 974032029 /nfs/dbraw/zinc/03/20/29/974032029.db2.gz PVYRARGIVZRVQU-UHFFFAOYSA-N -1 0 349.730 2.459 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@@](C)(C(=O)[O-])C3)c2c1 ZINC001604851389 974091744 /nfs/dbraw/zinc/09/17/44/974091744.db2.gz MSDWDSKEIPYAOU-MRXNPFEDSA-N -1 0 331.328 2.453 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001605699661 974126410 /nfs/dbraw/zinc/12/64/10/974126410.db2.gz XLTSXNMHAAOWNN-OAHLLOKOSA-N -1 0 347.302 2.088 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001591705712 975573597 /nfs/dbraw/zinc/57/35/97/975573597.db2.gz WMRDGOKMRWVZSP-SMDDNHRTSA-N -1 0 338.360 2.035 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)NCC2(CC(=O)[O-])CCCC2)c1[N+](=O)[O-] ZINC001591920550 976388216 /nfs/dbraw/zinc/38/82/16/976388216.db2.gz BFVZXMNTGZTRNE-UHFFFAOYSA-N -1 0 338.364 2.206 20 5 EEBDRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001592205421 977238598 /nfs/dbraw/zinc/23/85/98/977238598.db2.gz PAVFFSXRSYAZGK-AJCRVFRXSA-N -1 0 332.234 2.373 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001592289449 977605452 /nfs/dbraw/zinc/60/54/52/977605452.db2.gz FPJWVMDMGNSCSU-KRWDZBQOSA-N -1 0 343.339 2.039 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1csc([N+](=O)[O-])c1)c1cccnc1 ZINC001592323122 977732869 /nfs/dbraw/zinc/73/28/69/977732869.db2.gz YNKKNAKOIASRQN-AWEZNQCLSA-N -1 0 335.341 2.171 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1csc([N+](=O)[O-])c1)c1cccnc1 ZINC001592323124 977733003 /nfs/dbraw/zinc/73/30/03/977733003.db2.gz YNKKNAKOIASRQN-CQSZACIVSA-N -1 0 335.341 2.171 20 5 EEBDRM CC[C@@H](COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001595183847 979823823 /nfs/dbraw/zinc/82/38/23/979823823.db2.gz TZFKNUPJDVKQBC-ZETCQYMHSA-N -1 0 333.243 2.464 20 5 EEBDRM COc1cc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc([N+](=O)[O-])c1C ZINC000864204030 979884810 /nfs/dbraw/zinc/88/48/10/979884810.db2.gz OMWMZVWOAHMWJP-INIZCTEOSA-N -1 0 336.344 2.285 20 5 EEBDRM CC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595440858 981078467 /nfs/dbraw/zinc/07/84/67/981078467.db2.gz MLQURWUWZANDID-BXKDBHETSA-N -1 0 342.373 2.150 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(NCCSCC(=O)[O-])cc1C ZINC001596713521 984935535 /nfs/dbraw/zinc/93/55/35/984935535.db2.gz DSAQFCWCSQPZPL-UHFFFAOYSA-N -1 0 342.373 2.310 20 5 EEBDRM CC(=O)N1CCC(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001589063570 985190440 /nfs/dbraw/zinc/19/04/40/985190440.db2.gz SVKBJSNKYPMXJK-UHFFFAOYSA-N -1 0 335.360 2.272 20 5 EEBDRM CCO[C@H](C)c1noc(COc2cccc(C(=O)[O-])c2[N+](=O)[O-])n1 ZINC001596776250 985213538 /nfs/dbraw/zinc/21/35/38/985213538.db2.gz XHIJAKMEMRGVBM-MRVPVSSYSA-N -1 0 337.288 2.353 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C[C@H](C)S1=O ZINC001594574580 986405612 /nfs/dbraw/zinc/40/56/12/986405612.db2.gz BHKMCEHZMSENJE-YUMQZZPRSA-N -1 0 346.792 2.292 20 5 EEBDRM C[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])Cc2cncnc21 ZINC001594576628 986421050 /nfs/dbraw/zinc/42/10/50/986421050.db2.gz DBPBFSBWZLGQHK-SNVBAGLBSA-N -1 0 328.328 2.136 20 5 EEBDRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1F ZINC001589414526 986634520 /nfs/dbraw/zinc/63/45/20/986634520.db2.gz IUBHTLOATKPRQC-SECBINFHSA-N -1 0 347.302 2.247 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001589472116 986965186 /nfs/dbraw/zinc/96/51/86/986965186.db2.gz NHCSIUJCSVXEGP-LLVKDONJSA-N -1 0 336.344 2.218 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1CC(=O)[O-] ZINC001599863483 989207012 /nfs/dbraw/zinc/20/70/12/989207012.db2.gz LMHMLVBEZWIATN-PSASIEDQSA-N -1 0 326.736 2.431 20 5 EEBDRM CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598007007 990162654 /nfs/dbraw/zinc/16/26/54/990162654.db2.gz RVFOZXUHZCBSAC-XMELGKRDSA-N -1 0 348.355 2.089 20 5 EEBDRM COc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])c1 ZINC001599686693 990999033 /nfs/dbraw/zinc/99/90/33/990999033.db2.gz NAKCARYNQKVBDQ-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM CC(C)N1C(=O)CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(C)C ZINC001591605140 992846162 /nfs/dbraw/zinc/84/61/62/992846162.db2.gz DJHUQCFLSUOFHI-UHFFFAOYSA-N -1 0 349.387 2.124 20 5 EEBDRM COc1cccc(C(=O)[O-])c1OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001599644695 994408844 /nfs/dbraw/zinc/40/88/44/994408844.db2.gz TWQZXJBCPICXQN-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM CNc1ccc(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001598679369 994901736 /nfs/dbraw/zinc/90/17/36/994901736.db2.gz WRIGERGTOODOOH-UHFFFAOYSA-N -1 0 330.300 2.290 20 5 EEBDRM C[C@]1(Br)C[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001593739264 996352201 /nfs/dbraw/zinc/35/22/01/996352201.db2.gz FJTXUNGWZZSKID-SKDRFNHKSA-N -1 0 343.133 2.405 20 5 EEBDRM COC(=O)Cc1ccc(NCc2ccnc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001598872408 996743519 /nfs/dbraw/zinc/74/35/19/996743519.db2.gz YDKZFZOJNJPHJZ-UHFFFAOYSA-N -1 0 345.311 2.016 20 5 EEBDRM COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001599427460 997701071 /nfs/dbraw/zinc/70/10/71/997701071.db2.gz SXCKIZIKXZLFQK-UHFFFAOYSA-N -1 0 346.295 2.241 20 5 EEBDRM COc1c(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cccc1[N+](=O)[O-] ZINC001599328876 997712910 /nfs/dbraw/zinc/71/29/10/997712910.db2.gz MMBRRNWDLBLNQR-GFCCVEGCSA-N -1 0 336.344 2.367 20 5 EEBDRM COc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1F ZINC001599353885 998145096 /nfs/dbraw/zinc/14/50/96/998145096.db2.gz PGQRJFFMFFWBIK-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM CC1=C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594109939 998199815 /nfs/dbraw/zinc/19/98/15/998199815.db2.gz NTQIDTIJFZGSFH-PWSUYJOCSA-N -1 0 347.371 2.200 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001599461836 998285265 /nfs/dbraw/zinc/28/52/65/998285265.db2.gz CWGRYGBGFWVEMY-INIZCTEOSA-N -1 0 344.323 2.456 20 5 EEBDRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001594207041 998796437 /nfs/dbraw/zinc/79/64/37/998796437.db2.gz VTFZXZXASFCOAC-QWRGUYRKSA-N -1 0 336.344 2.074 20 5 EEBDRM C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001594400546 999499025 /nfs/dbraw/zinc/49/90/25/999499025.db2.gz HVCCTXUNFDOCAR-IINYFYTJSA-N -1 0 338.335 2.378 20 5 EEBDRM Cc1cc([C@](C)(O)CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(C)o1 ZINC000174671928 231275725 /nfs/dbraw/zinc/27/57/25/231275725.db2.gz RISNVBNCEQBILG-MRXNPFEDSA-N -1 0 334.328 2.148 20 5 EEBDRM O=C(NCc1ccnc(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130361262 223147009 /nfs/dbraw/zinc/14/70/09/223147009.db2.gz GCGXRKPIVUEJTC-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM Cc1noc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000130432445 223151404 /nfs/dbraw/zinc/15/14/04/223151404.db2.gz VUZFCNWRBCPLGC-UHFFFAOYSA-N -1 0 332.316 2.012 20 5 EEBDRM O=C(Nc1c[nH]nc1-c1nccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000446703953 242212789 /nfs/dbraw/zinc/21/27/89/242212789.db2.gz ZRPRWNJTZHYEEU-UHFFFAOYSA-N -1 0 331.313 2.399 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236853700 242382437 /nfs/dbraw/zinc/38/24/37/242382437.db2.gz NJGAXACFIMUFGU-YMTOWFKASA-N -1 0 335.360 2.398 20 5 EEBDRM CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000236968793 242432438 /nfs/dbraw/zinc/43/24/38/242432438.db2.gz GGMJHNWQFTZRQL-UHFFFAOYSA-N -1 0 335.360 2.132 20 5 EEBDRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000026893669 304153041 /nfs/dbraw/zinc/15/30/41/304153041.db2.gz BSPWYNAWCWNYOP-HNNXBMFYSA-N -1 0 326.308 2.247 20 5 EEBDRM O=c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc(C2CC2)[nH]1 ZINC000459414531 245112254 /nfs/dbraw/zinc/11/22/54/245112254.db2.gz ADABZTYEVVFPFQ-UHFFFAOYSA-N -1 0 344.375 2.001 20 5 EEBDRM CCc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263085800 245322907 /nfs/dbraw/zinc/32/29/07/245322907.db2.gz VDRFACOVNPLJMW-VIFPVBQESA-N -1 0 334.250 2.293 20 5 EEBDRM COCCS(=O)(=O)[N-]c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000110122644 220016977 /nfs/dbraw/zinc/01/69/77/220016977.db2.gz RCWUNYMMEGWWBS-UHFFFAOYSA-N -1 0 343.386 2.106 20 5 EEBDRM CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000078245841 217033716 /nfs/dbraw/zinc/03/37/16/217033716.db2.gz DVPOWUBOMJNMIZ-BAGVQZLWSA-N -1 0 340.401 2.110 20 5 EEBDRM O=C1CCc2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2N1 ZINC000008962469 211024773 /nfs/dbraw/zinc/02/47/73/211024773.db2.gz FVOIVCVFRYYCAH-UHFFFAOYSA-N -1 0 347.352 2.280 20 5 EEBDRM C[S@](=O)C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000164773810 255810438 /nfs/dbraw/zinc/81/04/38/255810438.db2.gz XVPGWGRNCXAENQ-RKNYENMMSA-N -1 0 348.380 2.150 20 5 EEBDRM CO[C@@H](C)c1nc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cs1 ZINC000267888332 256094468 /nfs/dbraw/zinc/09/44/68/256094468.db2.gz UGIDNXUDCDVGPG-QMMMGPOBSA-N -1 0 337.357 2.394 20 5 EEBDRM COC(=O)C1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCCC1 ZINC000273517137 256303167 /nfs/dbraw/zinc/30/31/67/256303167.db2.gz VLTRPZDNRPGAQN-UHFFFAOYSA-N -1 0 336.344 2.154 20 5 EEBDRM Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000088334365 292207387 /nfs/dbraw/zinc/20/73/87/292207387.db2.gz SYTNNIDVJFFQCN-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM CCOc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1[N+](=O)[O-] ZINC000263186592 152396921 /nfs/dbraw/zinc/39/69/21/152396921.db2.gz KUBNGSRTNUZPBB-ZYHUDNBSSA-N -1 0 336.344 2.319 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cn1cncn1 ZINC000092547414 159222783 /nfs/dbraw/zinc/22/27/83/159222783.db2.gz PTFJYVJOKPUNCJ-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM C[C@H](C(=O)[O-])N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000342523389 161071560 /nfs/dbraw/zinc/07/15/60/161071560.db2.gz JPVABXXVHQZTAZ-MRVPVSSYSA-N -1 0 335.341 2.263 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C1CC1 ZINC000355474411 163202544 /nfs/dbraw/zinc/20/25/44/163202544.db2.gz SDZXJBXBFBFKTB-SECBINFHSA-N -1 0 342.373 2.020 20 5 EEBDRM COc1ccc2c(c1)OC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000368326038 166088551 /nfs/dbraw/zinc/08/85/51/166088551.db2.gz DLVKKMFYURUHHE-LBPRGKRZSA-N -1 0 344.323 2.043 20 5 EEBDRM O=C(N[C@H]1CCc2ccccc2OC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000374876477 167057887 /nfs/dbraw/zinc/05/78/87/167057887.db2.gz MYIWGNFXGGMMKO-ZDUSSCGKSA-N -1 0 328.324 2.424 20 5 EEBDRM C[C@@H](N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000164881174 226103195 /nfs/dbraw/zinc/10/31/95/226103195.db2.gz ADNMLPYPCRZDAU-SECBINFHSA-N -1 0 347.293 2.009 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCOc2c(F)cccc2C1 ZINC000369299222 304504595 /nfs/dbraw/zinc/50/45/95/304504595.db2.gz RUORKUGNSWSSLU-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000279268404 269265082 /nfs/dbraw/zinc/26/50/82/269265082.db2.gz JGNFLSIENNXTIE-SNVBAGLBSA-N -1 0 346.343 2.180 20 5 EEBDRM CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000275131097 274225105 /nfs/dbraw/zinc/22/51/05/274225105.db2.gz OOMAHIAMKRDZQF-UHFFFAOYSA-N -1 0 337.332 2.106 20 5 EEBDRM Cn1ccnc1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1(C)C ZINC000295963134 293858281 /nfs/dbraw/zinc/85/82/81/293858281.db2.gz RUJJYAJOCWWPCJ-CYBMUJFWSA-N -1 0 330.344 2.257 20 5 EEBDRM COc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1NC(N)=O ZINC000355491653 295161904 /nfs/dbraw/zinc/16/19/04/295161904.db2.gz NUEYVSNKBUCPOG-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Br)cc1[O-] ZINC000161929341 311371066 /nfs/dbraw/zinc/37/10/66/311371066.db2.gz HWSVBRIEXAKBIS-UHFFFAOYSA-N -1 0 341.121 2.049 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000163926573 311386632 /nfs/dbraw/zinc/38/66/32/311386632.db2.gz HGHREOXCCYDTQN-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM Cc1cc(N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)ccc1[N+](=O)[O-] ZINC000416447946 313225678 /nfs/dbraw/zinc/22/56/78/313225678.db2.gz SLHHAWTWBORVCA-TZMCWYRMSA-N -1 0 335.360 2.025 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000422557714 314281920 /nfs/dbraw/zinc/28/19/20/314281920.db2.gz LEAQGDJDCSZNKJ-MWLCHTKSSA-N -1 0 336.344 2.237 20 5 EEBDRM COC(=O)c1cc(OC)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436662466 314985622 /nfs/dbraw/zinc/98/56/22/314985622.db2.gz CZCJUUJPNBAKQW-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM NC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1F ZINC000436884696 315009327 /nfs/dbraw/zinc/00/93/27/315009327.db2.gz LQYHUKAHJQWYTC-UHFFFAOYSA-N -1 0 334.263 2.182 20 5 EEBDRM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436968788 315017897 /nfs/dbraw/zinc/01/78/97/315017897.db2.gz XCWCRLYUBYTEPR-UONOGXRCSA-N -1 0 349.387 2.162 20 5 EEBDRM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436967527 315017924 /nfs/dbraw/zinc/01/79/24/315017924.db2.gz PUASRQWMJLLXOT-QWHCGFSZSA-N -1 0 349.387 2.162 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc(C)cs1 ZINC000075922649 441567962 /nfs/dbraw/zinc/56/79/62/441567962.db2.gz IKJOVDAFMJGEDI-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM Cc1cc(NC[C@@H](CO)Cc2ccco2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516972677 316623876 /nfs/dbraw/zinc/62/38/76/316623876.db2.gz FYXAMQOCLURUQX-NSHDSACASA-N -1 0 334.328 2.458 20 5 EEBDRM CC[C@@H](C(=O)[O-])[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000519627807 316801784 /nfs/dbraw/zinc/80/17/84/316801784.db2.gz GCKQNMBQARDAJS-DAOPMYJZSA-N -1 0 338.341 2.362 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)n1 ZINC000565423529 319181389 /nfs/dbraw/zinc/18/13/89/319181389.db2.gz KQGMLRUULKGRIX-UHTWSYAYSA-N -1 0 335.360 2.126 20 5 EEBDRM O=C([O-])c1cnc(NCCc2cnc(C3CC3)nc2)c([N+](=O)[O-])c1 ZINC000566012772 319235798 /nfs/dbraw/zinc/23/57/98/319235798.db2.gz RNQBXUCXWODGAU-UHFFFAOYSA-N -1 0 329.316 2.010 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](OCC3CC3)C2)n1 ZINC000566290717 319270026 /nfs/dbraw/zinc/27/00/26/319270026.db2.gz CCLOLGRENIGVDS-GFCCVEGCSA-N -1 0 335.360 2.392 20 5 EEBDRM O=C([O-])c1cnc(NC[C@H](O)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000566290945 319270041 /nfs/dbraw/zinc/27/00/41/319270041.db2.gz LOZQVQAILRKPIJ-CYBMUJFWSA-N -1 0 331.328 2.094 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000567562725 319390464 /nfs/dbraw/zinc/39/04/64/319390464.db2.gz RJSUHACVQDGWPF-LLVKDONJSA-N -1 0 343.339 2.470 20 5 EEBDRM Cn1nccc1[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000567985496 319441725 /nfs/dbraw/zinc/44/17/25/319441725.db2.gz ZTPIMZSUDFEWAS-NHYWBVRUSA-N -1 0 346.343 2.359 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2c3ccccc3C[C@H]2O)n1 ZINC000570335638 319657013 /nfs/dbraw/zinc/65/70/13/319657013.db2.gz JLKFANIKVXXXRS-OLZOCXBDSA-N -1 0 329.312 2.067 20 5 EEBDRM Cc1cc(S(=O)(=O)N[C@@](C)(CC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000572154155 319820953 /nfs/dbraw/zinc/82/09/53/319820953.db2.gz CXHPNIXBRAXQHA-AWEZNQCLSA-N -1 0 344.389 2.071 20 5 EEBDRM COC[C@@H](Cc1ccccc1)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574760255 320054425 /nfs/dbraw/zinc/05/44/25/320054425.db2.gz YAWILZVXQOEYCQ-GFCCVEGCSA-N -1 0 331.328 2.358 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000574872094 320064709 /nfs/dbraw/zinc/06/47/09/320064709.db2.gz GPHWKYQDIZNBEC-UHFFFAOYSA-N -1 0 326.334 2.040 20 5 EEBDRM COCCN(C[C@H]1CC=CCC1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576994477 320222678 /nfs/dbraw/zinc/22/26/78/320222678.db2.gz PKTOLPWILLPKMG-LBPRGKRZSA-N -1 0 335.360 2.497 20 5 EEBDRM O=C(NCC1CCN(CC(F)F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000577864846 320281099 /nfs/dbraw/zinc/28/10/99/320281099.db2.gz WQFMPMDVMORPDM-UHFFFAOYSA-N -1 0 343.330 2.007 20 5 EEBDRM CC(C)c1ncc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000442982875 323597381 /nfs/dbraw/zinc/59/73/81/323597381.db2.gz YUMFFBPGBGWSJG-UHFFFAOYSA-N -1 0 330.344 2.486 20 5 EEBDRM Cc1ccc(NCCCNC(=O)C2(C(=O)[O-])CCCC2)c([N+](=O)[O-])c1 ZINC000580078388 323988460 /nfs/dbraw/zinc/98/84/60/323988460.db2.gz AIMDYDTZIWXKRU-UHFFFAOYSA-N -1 0 349.387 2.466 20 5 EEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CSCC(=O)[O-] ZINC000580922477 324151496 /nfs/dbraw/zinc/15/14/96/324151496.db2.gz VJRRDHOATYXJBW-UHFFFAOYSA-N -1 0 326.374 2.150 20 5 EEBDRM CC(C)[C@@H](O)C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000582124282 324385928 /nfs/dbraw/zinc/38/59/28/324385928.db2.gz XZPAAWCOVZPBPY-CYBMUJFWSA-N -1 0 342.779 2.481 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000337194837 465237594 /nfs/dbraw/zinc/23/75/94/465237594.db2.gz VNQAYWQHOMYLDE-UHFFFAOYSA-N -1 0 341.320 2.328 20 5 EEBDRM CCN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)C1 ZINC000579357691 468347221 /nfs/dbraw/zinc/34/72/21/468347221.db2.gz CDTQSCDMEPETTJ-VIFPVBQESA-N -1 0 327.768 2.120 20 5 EEBDRM CCC(CC)(CCO)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000124290972 463405576 /nfs/dbraw/zinc/40/55/76/463405576.db2.gz KDGJFXPZIPXLFC-UHFFFAOYSA-N -1 0 348.396 2.201 20 5 EEBDRM O=C(NCc1cc(F)cc2c1OCOC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356515340 465430378 /nfs/dbraw/zinc/43/03/78/465430378.db2.gz RQIGQCGQGMBREA-UHFFFAOYSA-N -1 0 348.286 2.236 20 5 EEBDRM O=C(Nc1nnc(C(F)(F)F)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164327843 463620698 /nfs/dbraw/zinc/62/06/98/463620698.db2.gz QFIAQGUAMXXWHU-UHFFFAOYSA-N -1 0 334.235 2.423 20 5 EEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1 ZINC000164983649 463637918 /nfs/dbraw/zinc/63/79/18/463637918.db2.gz NLUYJADMEHFMGH-ZBEGNZNMSA-N -1 0 330.340 2.022 20 5 EEBDRM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000152152702 463653999 /nfs/dbraw/zinc/65/39/99/463653999.db2.gz YTBHTLKWMHPGAF-DFBGVHRSSA-N -1 0 332.356 2.378 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2nc(C)c(C)s2)ccc1[N+](=O)[O-] ZINC000177615040 463749698 /nfs/dbraw/zinc/74/96/98/463749698.db2.gz NFIXYUATUHNXTH-UHFFFAOYSA-N -1 0 343.386 2.478 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2ncon2)cc1 ZINC000171014250 463760833 /nfs/dbraw/zinc/76/08/33/463760833.db2.gz LJEDDGXBKPABKK-UHFFFAOYSA-N -1 0 346.324 2.446 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000579599130 468383189 /nfs/dbraw/zinc/38/31/89/468383189.db2.gz YEZOLMBNZDGHKZ-CQSZACIVSA-N -1 0 343.339 2.484 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261914489 463899177 /nfs/dbraw/zinc/89/91/77/463899177.db2.gz QQRJXOYXPYAYFX-LNSITVRQSA-N -1 0 332.356 2.382 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2ccccc2)CC1 ZINC000194738520 463920900 /nfs/dbraw/zinc/92/09/00/463920900.db2.gz KCNOPMYKIRPTCN-UHFFFAOYSA-N -1 0 327.340 2.263 20 5 EEBDRM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000174260817 464386147 /nfs/dbraw/zinc/38/61/47/464386147.db2.gz HZNBMRQHPZQTFK-OAQYLSRUSA-N -1 0 340.382 2.133 20 5 EEBDRM O=C(NC[C@@H]1COC2(CCCCC2)O1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000271839318 464393590 /nfs/dbraw/zinc/39/35/90/464393590.db2.gz QJTBTFZFVRFTGA-GFCCVEGCSA-N -1 0 336.344 2.106 20 5 EEBDRM CC(C)CCC(=O)NCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180786389 464394936 /nfs/dbraw/zinc/39/49/36/464394936.db2.gz ZRJFDYHXCYCHBV-UHFFFAOYSA-N -1 0 343.767 2.445 20 5 EEBDRM C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C(=O)[O-])C1 ZINC000568893431 468403037 /nfs/dbraw/zinc/40/30/37/468403037.db2.gz KNIFMRVFTAVWRS-GWCFXTLKSA-N -1 0 346.343 2.330 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC000281757048 464574037 /nfs/dbraw/zinc/57/40/37/464574037.db2.gz FIWXBDRQCYFNJW-HHKHWZMTSA-N -1 0 330.340 2.321 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000190823576 464726299 /nfs/dbraw/zinc/72/62/99/464726299.db2.gz KBOIEXYMFYNEFJ-AMIZOPFISA-N -1 0 328.752 2.406 20 5 EEBDRM CCN1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])sc2C1 ZINC000184608284 465007795 /nfs/dbraw/zinc/00/77/95/465007795.db2.gz LCQDWKSWVJXRIX-UHFFFAOYSA-N -1 0 348.384 2.387 20 5 EEBDRM CC(C)(C)CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000362230002 465590119 /nfs/dbraw/zinc/59/01/19/465590119.db2.gz UJQRBUBHBRYDRT-GFCCVEGCSA-N -1 0 344.389 2.153 20 5 EEBDRM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(F)cc(Cl)c1[O-] ZINC000353899768 466243043 /nfs/dbraw/zinc/24/30/43/466243043.db2.gz WHRRGLWPPASXHT-UHFFFAOYSA-N -1 0 328.687 2.318 20 5 EEBDRM O=c1[n-]c([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 ZINC000377527451 467080490 /nfs/dbraw/zinc/08/04/90/467080490.db2.gz XFMDCHVHCRVLSV-SNVBAGLBSA-N -1 0 337.767 2.452 20 5 EEBDRM Cn1ccc2c(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cccc2c1=O ZINC000436503412 467541390 /nfs/dbraw/zinc/54/13/90/467541390.db2.gz KEMWWJAPTUOWGU-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM COC(=O)Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436790669 467554462 /nfs/dbraw/zinc/55/44/62/467554462.db2.gz HKVMFBSSQLLFQN-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000442327549 467574267 /nfs/dbraw/zinc/57/42/67/467574267.db2.gz FEASWIZGRDKLCH-OAQYLSRUSA-N -1 0 340.382 2.133 20 5 EEBDRM O=C(NCc1ccccc1)OCCOC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000496960356 467755830 /nfs/dbraw/zinc/75/58/30/467755830.db2.gz SWTJHYZQCCJKRT-UHFFFAOYSA-N -1 0 333.300 2.006 20 5 EEBDRM O=C(/C=C/C1CCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000493373521 467897624 /nfs/dbraw/zinc/89/76/24/467897624.db2.gz UWQYRAFGFFRCTM-VMPITWQZSA-N -1 0 342.348 2.285 20 5 EEBDRM O=C(/C=C/C1CCCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000493705616 467967475 /nfs/dbraw/zinc/96/74/75/467967475.db2.gz KEWRYUCQRPITKJ-AATRIKPKSA-N -1 0 330.387 2.208 20 5 EEBDRM O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1ccc2ncccc2c1 ZINC000530533668 467991832 /nfs/dbraw/zinc/99/18/32/467991832.db2.gz JMQRFRIZVKVZIN-UHFFFAOYSA-N -1 0 344.352 2.017 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1noc(C(F)F)n1 ZINC000591783924 468520858 /nfs/dbraw/zinc/52/08/58/468520858.db2.gz LNUOWYXBOJVWJT-RXMQYKEDSA-N -1 0 328.231 2.112 20 5 EEBDRM CCOC(=O)c1[nH]c(C)c(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1C ZINC000600510046 468576799 /nfs/dbraw/zinc/57/67/99/468576799.db2.gz GYYXHSXJHRIIMZ-WAYWQWQTSA-N -1 0 348.315 2.088 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000594468402 468596898 /nfs/dbraw/zinc/59/68/98/468596898.db2.gz QKJKNGFZQLIPFL-GFCCVEGCSA-N -1 0 335.360 2.256 20 5 EEBDRM O=C([O-])CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCC1 ZINC000594466425 468597018 /nfs/dbraw/zinc/59/70/18/468597018.db2.gz NJDKCEWSAPNOJC-UHFFFAOYSA-N -1 0 347.371 2.274 20 5 EEBDRM CO[C@@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000600675899 468617515 /nfs/dbraw/zinc/61/75/15/468617515.db2.gz QKROZTOCCRQCNZ-ZDUSSCGKSA-N -1 0 348.277 2.289 20 5 EEBDRM CC[C@@]1(CO)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592791758 468787586 /nfs/dbraw/zinc/78/75/86/468787586.db2.gz YTSQVMIDVUGXSG-AWEZNQCLSA-N -1 0 328.752 2.331 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H](O)C12CCCC2 ZINC000592800657 468790244 /nfs/dbraw/zinc/79/02/44/468790244.db2.gz JHEWMJZUBNHNFF-LBPRGKRZSA-N -1 0 340.763 2.473 20 5 EEBDRM O=C([O-])c1cnc(N2CCN(Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000592967053 468830135 /nfs/dbraw/zinc/83/01/35/468830135.db2.gz FFOKGNTYMOCZQT-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000610482640 468980876 /nfs/dbraw/zinc/98/08/76/468980876.db2.gz FNEXJUYHUCKOMB-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM CCC(CC)(NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000585715635 469020982 /nfs/dbraw/zinc/02/09/82/469020982.db2.gz CGIGDJLRFDHDKS-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C1N[C@@H](c2ccc([N+](=O)[O-])c([O-])c2)N2CCc3ccccc3[C@@H]12 ZINC000602759267 469055323 /nfs/dbraw/zinc/05/53/23/469055323.db2.gz SGLJWJVJCZZFBI-JKSUJKDBSA-N -1 0 325.324 2.028 20 5 EEBDRM O=C([O-])C1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000610853216 469090752 /nfs/dbraw/zinc/09/07/52/469090752.db2.gz RFJNLGBUYHXXFP-UHFFFAOYSA-N -1 0 335.360 2.158 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000573327830 469108113 /nfs/dbraw/zinc/10/81/13/469108113.db2.gz XGBKOEUSLGYTRY-LBPRGKRZSA-N -1 0 343.343 2.164 20 5 EEBDRM O=C([O-])[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1C1CC1 ZINC000593764273 469130120 /nfs/dbraw/zinc/13/01/20/469130120.db2.gz WELONABQYXJWSE-WDEREUQCSA-N -1 0 328.328 2.085 20 5 EEBDRM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000611508399 469266844 /nfs/dbraw/zinc/26/68/44/469266844.db2.gz DGCHVYRLDPBVLJ-SMDDNHRTSA-N -1 0 330.340 2.195 20 5 EEBDRM COC(=O)c1ccc2c(c1)CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C2 ZINC000611556105 469278564 /nfs/dbraw/zinc/27/85/64/469278564.db2.gz GSHCVXWDNPPRFR-UHFFFAOYSA-N -1 0 342.307 2.243 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000599864726 469396757 /nfs/dbraw/zinc/39/67/57/469396757.db2.gz ULTWRJUPDALZBH-SDDRHHMPSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C(Nc1ccccc1-n1cncn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613878933 469809580 /nfs/dbraw/zinc/80/95/80/469809580.db2.gz SCLYBGAUFVARRQ-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000592130705 485597816 /nfs/dbraw/zinc/59/78/16/485597816.db2.gz JQZFPQBJPWQTLB-SECBINFHSA-N -1 0 342.373 2.022 20 5 EEBDRM CCCC[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000236855315 534921746 /nfs/dbraw/zinc/92/17/46/534921746.db2.gz XMJGDCBHJXRPPZ-CQSZACIVSA-N -1 0 346.343 2.154 20 5 EEBDRM COc1ccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1NC(C)=O ZINC000738105360 577999672 /nfs/dbraw/zinc/99/96/72/577999672.db2.gz UGKVQVGOPJWRII-UHFFFAOYSA-N -1 0 346.299 2.399 20 5 EEBDRM Cc1c(C(=O)N(CCC(=O)[O-])C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000738258313 578006437 /nfs/dbraw/zinc/00/64/37/578006437.db2.gz FMESBBOKOVCQGR-UHFFFAOYSA-N -1 0 339.304 2.137 20 5 EEBDRM Cc1nc2ccccc2n1CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738366195 578010863 /nfs/dbraw/zinc/01/08/63/578010863.db2.gz WFQJPDJZQFZURT-UHFFFAOYSA-N -1 0 341.327 2.458 20 5 EEBDRM COc1ccc(NC(=O)CCSC[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000738028883 576734355 /nfs/dbraw/zinc/73/43/55/576734355.db2.gz WKMFSGPOOZILJF-VIFPVBQESA-N -1 0 342.373 2.386 20 5 EEBDRM COc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1CO ZINC000738034308 577003367 /nfs/dbraw/zinc/00/33/67/577003367.db2.gz LUNLYYNXOMAMOJ-UHFFFAOYSA-N -1 0 346.295 2.046 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C1=CCCCCC1 ZINC000774083689 577382257 /nfs/dbraw/zinc/38/22/57/577382257.db2.gz QNXNWVQTHZTJBW-UHFFFAOYSA-N -1 0 330.387 2.352 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000775287261 577434132 /nfs/dbraw/zinc/43/41/32/577434132.db2.gz AFXXKVMMNAEOBV-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM Cc1cc([N-]C(=O)c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)no1 ZINC000762322584 577699232 /nfs/dbraw/zinc/69/92/32/577699232.db2.gz YPOUCJNMFKAMTO-UHFFFAOYSA-N -1 0 343.299 2.426 20 5 EEBDRM COCCn1cc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000746334694 577926266 /nfs/dbraw/zinc/92/62/66/577926266.db2.gz DMZCVTOJVSEZNG-HWKANZROSA-N -1 0 332.316 2.279 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc([N+](=O)[O-])c1 ZINC000738668672 578023351 /nfs/dbraw/zinc/02/33/51/578023351.db2.gz DMYJVNXBKJUMAY-SNVBAGLBSA-N -1 0 344.327 2.036 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCc2nnsc2Cl)cc([N+](=O)[O-])c1 ZINC000738673113 578023461 /nfs/dbraw/zinc/02/34/61/578023461.db2.gz PPJCJHPENFEBDR-UHFFFAOYSA-N -1 0 343.704 2.155 20 5 EEBDRM NC(=O)[C@@H]1CCC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000739152394 578041062 /nfs/dbraw/zinc/04/10/62/578041062.db2.gz HFDKQBVVBMQUTQ-BAEOLTKYSA-N -1 0 333.344 2.149 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)cc([N+](=O)[O-])c1 ZINC000740081152 578080088 /nfs/dbraw/zinc/08/00/88/578080088.db2.gz MLDHRKNSVAUSAH-AWEZNQCLSA-N -1 0 346.270 2.374 20 5 EEBDRM CC(C)(CC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000736311538 578194909 /nfs/dbraw/zinc/19/49/09/578194909.db2.gz XITLVDXVIXHXMM-UHFFFAOYSA-N -1 0 345.149 2.340 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C(C)(C)C(=O)[O-] ZINC000736700331 578218834 /nfs/dbraw/zinc/21/88/34/578218834.db2.gz IWIKWXWYOWJDJX-QMMMGPOBSA-N -1 0 344.751 2.337 20 5 EEBDRM CCC[C@H](C)N(C)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736965282 578231624 /nfs/dbraw/zinc/23/16/24/578231624.db2.gz OSSNIQOEGGXNOO-WDEREUQCSA-N -1 0 337.376 2.423 20 5 EEBDRM CN(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1)C(=O)[O-] ZINC000737485255 578260219 /nfs/dbraw/zinc/26/02/19/578260219.db2.gz FGYALYTWFUDSIJ-UHFFFAOYSA-N -1 0 332.316 2.295 20 5 EEBDRM CNc1snc(C)c1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737561445 578264258 /nfs/dbraw/zinc/26/42/58/578264258.db2.gz FGZLROGZPVCNCN-UHFFFAOYSA-N -1 0 336.329 2.352 20 5 EEBDRM COc1ccc(O)c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000832425540 600974582 /nfs/dbraw/zinc/97/45/82/600974582.db2.gz ZNWGJQITISLIQO-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000833177939 601080893 /nfs/dbraw/zinc/08/08/93/601080893.db2.gz CVPIXKPPFVWDDA-AAEUAGOBSA-N -1 0 335.360 2.419 20 5 EEBDRM Cc1c(C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832850756 601316369 /nfs/dbraw/zinc/31/63/69/601316369.db2.gz YPCBDBSYVMDTIH-UHFFFAOYSA-N -1 0 348.271 2.100 20 5 EEBDRM CC[C@@H](NC(=S)NCCCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000828982240 601378169 /nfs/dbraw/zinc/37/81/69/601378169.db2.gz ADBOBSBIVWEXMF-GFCCVEGCSA-N -1 0 325.390 2.375 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NCC2(C)CCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827702981 601382485 /nfs/dbraw/zinc/38/24/85/601382485.db2.gz GCVWPQLOMNBQMT-SNVBAGLBSA-N -1 0 335.360 2.400 20 5 EEBDRM CCOc1cc(C(=O)OC/C=C(/C)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000830038777 601409025 /nfs/dbraw/zinc/40/90/25/601409025.db2.gz SUMXIKDWRDHPKX-UITAMQMPSA-N -1 0 339.300 2.190 20 5 EEBDRM CC(C)(CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000826585958 601752904 /nfs/dbraw/zinc/75/29/04/601752904.db2.gz UNCOXRLQOQFGQV-UHFFFAOYSA-N -1 0 347.274 2.429 20 5 EEBDRM O=C([O-])CCc1csc(NC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000833244191 604722466 /nfs/dbraw/zinc/72/24/66/604722466.db2.gz VYEGJSZICSDKGK-UHFFFAOYSA-N -1 0 327.343 2.382 20 5 EEBDRM CS[C@@H](CO)[C@H](C)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832742006 604800314 /nfs/dbraw/zinc/80/03/14/604800314.db2.gz FVTDQMZWIRZLON-KGFZYKRKSA-N -1 0 334.781 2.471 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1F ZINC000833141511 604920403 /nfs/dbraw/zinc/92/04/03/604920403.db2.gz YAOBHARIYNVYRW-UHFFFAOYSA-N -1 0 347.302 2.274 20 5 EEBDRM CCc1cnccc1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833672986 605478652 /nfs/dbraw/zinc/47/86/52/605478652.db2.gz HBDDMADPBQOQRT-UHFFFAOYSA-N -1 0 329.312 2.180 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccccc1-c1nn[nH]n1 ZINC000826461776 607884397 /nfs/dbraw/zinc/88/43/97/607884397.db2.gz GSRLFHNQGPOFHJ-AATRIKPKSA-N -1 0 338.283 2.039 20 5 EEBDRM COCc1nsc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)n1 ZINC000133763083 675302961 /nfs/dbraw/zinc/30/29/61/675302961.db2.gz GUMXFDHWPQDXNE-UHFFFAOYSA-N -1 0 330.272 2.123 20 5 EEBDRM O=C(Nc1ccc(-n2nccn2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179455934 679830748 /nfs/dbraw/zinc/83/07/48/679830748.db2.gz OJOZWZPFXZAFJV-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([O-])c1cc(N2CCO[C@@H](C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000871868109 1197943829 /nfs/dbraw/zinc/94/38/29/1197943829.db2.gz XSKVWASECORSIB-LLVKDONJSA-N -1 0 334.250 2.451 20 5 EEBDRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000130918426 1202006729 /nfs/dbraw/zinc/00/67/29/1202006729.db2.gz VQLHQPNOSRVYLQ-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](Cc2nccs2)C1 ZINC000890217079 1204808352 /nfs/dbraw/zinc/80/83/52/1204808352.db2.gz CLSFESZSLTURMF-JTQLQIEISA-N -1 0 333.369 2.462 20 5 EEBDRM O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000778785243 1208354678 /nfs/dbraw/zinc/35/46/78/1208354678.db2.gz HTIXKSZBZDNCCQ-LBPRGKRZSA-N -1 0 346.299 2.267 20 5 EEBDRM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850887993 1277381944 /nfs/dbraw/zinc/38/19/44/1277381944.db2.gz FKVSNYWKSUKVCK-ZJUUUORDSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000851626146 1277689026 /nfs/dbraw/zinc/68/90/26/1277689026.db2.gz ICBMDHJOUUIIQP-HAQNSBGRSA-N -1 0 347.371 2.178 20 5 EEBDRM O=[N+]([O-])c1cc(O)cc([N-]c2nonc2-c2cn3ccncc3n2)c1 ZINC001199819020 1285820238 /nfs/dbraw/zinc/82/02/38/1285820238.db2.gz JIADVJILSIBHCC-UHFFFAOYSA-N -1 0 339.271 2.137 20 5 EEBDRM CC(C)(C)OC(=O)N1C[C@H](Oc2cc([O-])ccc2[N+](=O)[O-])CC1=O ZINC001225491463 1301022167 /nfs/dbraw/zinc/02/21/67/1301022167.db2.gz OYOGHXSVEQKWHT-SNVBAGLBSA-N -1 0 338.316 2.215 20 5 EEBDRM CO[C@@H](C)CO[C@@H](C)COc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095559 1301686117 /nfs/dbraw/zinc/68/61/17/1301686117.db2.gz RSEQZMDUERRDOY-UWVGGRQHSA-N -1 0 337.332 2.062 20 5 EEBDRM CCCCOC[C@H](C)OC[C@@H](C)Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228141070 1302123801 /nfs/dbraw/zinc/12/38/01/1302123801.db2.gz OUURRQFBLCHNDP-WDEREUQCSA-N -1 0 329.353 2.080 20 5 EEBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@@H]2CCc3nccn3C2)c1[N+](=O)[O-] ZINC001228860317 1302488600 /nfs/dbraw/zinc/48/86/00/1302488600.db2.gz TWIGAPUDWZGAEE-SSDOTTSWSA-N -1 0 344.249 2.305 20 5 EEBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@H]2CCc3nccn3C2)c1[N+](=O)[O-] ZINC001228860318 1302489436 /nfs/dbraw/zinc/48/94/36/1302489436.db2.gz TWIGAPUDWZGAEE-ZETCQYMHSA-N -1 0 344.249 2.305 20 5 EEBDRM O=C1CC[C@@H](COc2cc3c4ccc(O)cc4oc(=O)c3cc2O)O1 ZINC001229804163 1302950647 /nfs/dbraw/zinc/95/06/47/1302950647.db2.gz WXVJWOUAXDXPIR-JTQLQIEISA-N -1 0 342.303 2.442 20 5 EEBDRM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780679026 1303685570 /nfs/dbraw/zinc/68/55/70/1303685570.db2.gz TZPARSKCJPCTAX-UHFFFAOYSA-N -1 0 343.255 2.337 20 5 EEBDRM CC[C@H](C)CCC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000796737809 1304569844 /nfs/dbraw/zinc/56/98/44/1304569844.db2.gz ZQHXBBHPEMZKJM-NSHDSACASA-N -1 0 328.390 2.367 20 5 EEBDRM COC(=O)c1csc(CNc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001162492741 1320874619 /nfs/dbraw/zinc/87/46/19/1320874619.db2.gz LJRDJROFNUGPKA-UHFFFAOYSA-N -1 0 337.313 2.148 20 5 EEBDRM Cc1cc(Oc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])ccc1C(N)=O ZINC001607702203 1351542924 /nfs/dbraw/zinc/54/29/24/1351542924.db2.gz BOMAUTRBUCIDEU-UHFFFAOYSA-N -1 0 330.296 2.422 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@@H]2CCN(C3CCC3)C2=O)c([N+](=O)[O-])c1 ZINC001608661547 1351736634 /nfs/dbraw/zinc/73/66/34/1351736634.db2.gz ZQVXPGKTRXCIAU-HZRUHFOJSA-N -1 0 345.355 2.258 20 5 EEBDRM O=C([O-])CC1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001608681489 1351741195 /nfs/dbraw/zinc/74/11/95/1351741195.db2.gz FVEGZXNDCUCCOV-UHFFFAOYSA-N -1 0 349.748 2.212 20 5 EEBDRM O=C([O-])Cc1ccc(NCc2ccn3ccnc3c2)c([N+](=O)[O-])c1 ZINC001608780762 1351762047 /nfs/dbraw/zinc/76/20/47/1351762047.db2.gz VABQKAPZKCHNTI-UHFFFAOYSA-N -1 0 326.312 2.482 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@]23CCOC3)cc([N+](=O)[O-])c1 ZINC001608835264 1351774847 /nfs/dbraw/zinc/77/48/47/1351774847.db2.gz BJOLWMRSLXIELS-MRXNPFEDSA-N -1 0 334.328 2.078 20 5 EEBDRM O=C([O-])c1cc(F)ccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001608851644 1351778679 /nfs/dbraw/zinc/77/86/79/1351778679.db2.gz JHBKIRILCKBBFX-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1-n1cnc(CCCO)c1 ZINC001608862603 1351780731 /nfs/dbraw/zinc/78/07/31/1351780731.db2.gz FUPRXTDSYPBYIH-UHFFFAOYSA-N -1 0 325.708 2.057 20 5 EEBDRM O=C([O-])c1ccc(Oc2cc(-n3ccnc3)ncn2)cc1[N+](=O)[O-] ZINC001608908473 1351791871 /nfs/dbraw/zinc/79/18/71/1351791871.db2.gz AYIUOJQOLGNIDI-UHFFFAOYSA-N -1 0 327.256 2.061 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2ccc(O)c(CO)c2)c1 ZINC001608915336 1351793554 /nfs/dbraw/zinc/79/35/54/1351793554.db2.gz PONWHCHXPPHSIB-UHFFFAOYSA-N -1 0 332.312 2.146 20 5 EEBDRM O=C([O-])c1cccc(OS(=O)(=O)c2ccccc2F)c1[N+](=O)[O-] ZINC001608937926 1351798576 /nfs/dbraw/zinc/79/85/76/1351798576.db2.gz ADCQQDHPIGSXFW-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2ccc3cnccc3n2)cc1[N+](=O)[O-] ZINC001609026441 1351818760 /nfs/dbraw/zinc/81/87/60/1351818760.db2.gz HCESSFYBYJQDNG-UHFFFAOYSA-N -1 0 339.263 2.455 20 5 EEBDRM C[C@H](NC(=O)C(=O)[N-]OC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001321765974 1333154612 /nfs/dbraw/zinc/15/46/12/1333154612.db2.gz FCEUUJTYKNLRGK-NSHDSACASA-N -1 0 335.360 2.153 20 5 EEBDRM CC(C)Oc1c(NC(=O)c2n[nH]cc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001609712592 1352065881 /nfs/dbraw/zinc/06/58/81/1352065881.db2.gz OFPWTEFCWLVGBO-UHFFFAOYSA-N -1 0 334.288 2.056 20 5 EEBDRM CC(C)(CCC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)[N+](=O)[O-] ZINC001609729139 1352070747 /nfs/dbraw/zinc/07/07/47/1352070747.db2.gz ZSYYMQSWFYNRQY-INIZCTEOSA-N -1 0 340.351 2.467 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609773910 1352082354 /nfs/dbraw/zinc/08/23/54/1352082354.db2.gz ZOGLNWSFRHLOBF-ZYHUDNBSSA-N -1 0 332.312 2.250 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001609831620 1352096197 /nfs/dbraw/zinc/09/61/97/1352096197.db2.gz FLXFUMOOAGWLIN-IONNQARKSA-N -1 0 344.270 2.131 20 5 EEBDRM CC1=C(C)CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC001609828598 1352095499 /nfs/dbraw/zinc/09/54/99/1352095499.db2.gz IDOJVJLCZLQPDL-UHFFFAOYSA-N -1 0 340.357 2.024 20 5 EEBDRM C[C@H]1CC(C)(C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001609841122 1352098813 /nfs/dbraw/zinc/09/88/13/1352098813.db2.gz GVSXDKQMEHEWKQ-VIFPVBQESA-N -1 0 342.373 2.102 20 5 EEBDRM C[C@H]1CC2(CCC2)CN1c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001609846693 1352100099 /nfs/dbraw/zinc/10/00/99/1352100099.db2.gz JOLKDKDTLNVRQV-NSHDSACASA-N -1 0 347.371 2.178 20 5 EEBDRM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC001609875117 1352108675 /nfs/dbraw/zinc/10/86/75/1352108675.db2.gz RWVLHNRPCNMQJO-PELKAZGASA-N -1 0 348.277 2.445 20 5 EEBDRM CCC1(CC)CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[S@]1=O ZINC001609941889 1352125293 /nfs/dbraw/zinc/12/52/93/1352125293.db2.gz SATYPMWTWCPOOL-HSZRJFAPSA-N -1 0 340.401 2.421 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001610045148 1352148878 /nfs/dbraw/zinc/14/88/78/1352148878.db2.gz SIPPOPFULOKKKE-LLVKDONJSA-N -1 0 337.332 2.368 20 5 EEBDRM CN1CCO[C@@H](CSc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001610137593 1352171179 /nfs/dbraw/zinc/17/11/79/1352171179.db2.gz SFJGTDVJIYDLPE-OGOUPESXSA-N -1 0 338.385 2.115 20 5 EEBDRM Cc1cc(NCc2ccc(C)n(C)c2=O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610475506 1352229077 /nfs/dbraw/zinc/22/90/77/1352229077.db2.gz QGPRJGPJQJWDBD-UHFFFAOYSA-N -1 0 331.328 2.221 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC001610526132 1352238899 /nfs/dbraw/zinc/23/88/99/1352238899.db2.gz HPKWXISXKBNFJE-GXFFZTMASA-N -1 0 335.360 2.027 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001610559078 1352244644 /nfs/dbraw/zinc/24/46/44/1352244644.db2.gz BRIXFYUJRJJICN-QMMMGPOBSA-N -1 0 337.288 2.085 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2ccc(Cl)cn2)cc([N+](=O)[O-])c1 ZINC001610809890 1352278687 /nfs/dbraw/zinc/27/86/87/1352278687.db2.gz ABAWTLJMZOFXTF-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1F ZINC001610881873 1352290084 /nfs/dbraw/zinc/29/00/84/1352290084.db2.gz LJHNNWBEFHUHIL-UHFFFAOYSA-N -1 0 335.243 2.495 20 5 EEBDRM C[C@H](C(=O)c1ccc(Cl)cc1)n1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1 ZINC001589032206 1348953932 /nfs/dbraw/zinc/95/39/32/1348953932.db2.gz KFOPIQZNYFNWEQ-SSDOTTSWSA-N -1 0 347.722 2.069 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1cc(-c2nn[nH]n2)ccn1 ZINC001593481331 1349813350 /nfs/dbraw/zinc/81/33/50/1349813350.db2.gz GUMUVOPSLFRSRX-UHFFFAOYSA-N -1 0 330.329 2.168 20 5 EEBDRM Cc1ccc(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)cc1[N+](=O)[O-] ZINC001594347495 1349875939 /nfs/dbraw/zinc/87/59/39/1349875939.db2.gz RTTHLIKNSJRFRT-JZLYGMAVSA-N -1 0 348.355 2.045 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC001599995097 1349952065 /nfs/dbraw/zinc/95/20/65/1349952065.db2.gz IXOSWKLWGIMKQF-UHFFFAOYSA-N -1 0 348.384 2.427 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2nc3c([nH]2)CCCC3)n1 ZINC001600105779 1349972386 /nfs/dbraw/zinc/97/23/86/1349972386.db2.gz MLFXAOYZHAWDMG-UHFFFAOYSA-N -1 0 331.332 2.210 20 5 EEBDRM Cc1cc(C)n([C@@H](C)C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC001600176998 1349985909 /nfs/dbraw/zinc/98/59/09/1349985909.db2.gz CBFWDBKZMGTDBG-NSHDSACASA-N -1 0 347.327 2.411 20 5 EEBDRM Cc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001600342492 1350024823 /nfs/dbraw/zinc/02/48/23/1350024823.db2.gz LRZSJFFODGDDPA-CQSZACIVSA-N -1 0 346.314 2.468 20 5 EEBDRM Cc1noc(CN(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)n1 ZINC001600813312 1350142790 /nfs/dbraw/zinc/14/27/90/1350142790.db2.gz WRFKLVHIQIMNCA-UHFFFAOYSA-N -1 0 326.696 2.274 20 5 EEBDRM Nc1c(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)cccc1[N+](=O)[O-] ZINC001601206908 1350230935 /nfs/dbraw/zinc/23/09/35/1350230935.db2.gz JTCGJBUFQYLXJW-UHFFFAOYSA-N -1 0 341.323 2.074 20 5 EEBDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001601240559 1350239533 /nfs/dbraw/zinc/23/95/33/1350239533.db2.gz OEGVOEGMPLYXCM-JOSVZGBOSA-N -1 0 330.340 2.224 20 5 EEBDRM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001601408283 1350277237 /nfs/dbraw/zinc/27/72/37/1350277237.db2.gz FNZDROYYYPHXRU-KCJUWKMLSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001601606590 1350318262 /nfs/dbraw/zinc/31/82/62/1350318262.db2.gz JPFZMPPTJVSVEP-CCCLYZFWSA-N -1 0 337.307 2.355 20 5 EEBDRM O=C([O-])C12CCC(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)(CC1)C2 ZINC001601730345 1350349779 /nfs/dbraw/zinc/34/97/79/1350349779.db2.gz RPDRIXPZHKVKHE-UHFFFAOYSA-N -1 0 347.371 2.158 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001601856434 1350381778 /nfs/dbraw/zinc/38/17/78/1350381778.db2.gz OBTINCHFSBMAJJ-VIFPVBQESA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1Cc1ccccc1[N+](=O)[O-] ZINC001601864650 1350384825 /nfs/dbraw/zinc/38/48/25/1350384825.db2.gz SVYUSPDDXPGRIG-INIZCTEOSA-N -1 0 328.324 2.312 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCC2CC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001601884557 1350390257 /nfs/dbraw/zinc/39/02/57/1350390257.db2.gz ZGJOBCSHSNSBAE-RQOWECAXSA-N -1 0 334.328 2.258 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCc2cccs2)c([N+](=O)[O-])c1 ZINC001602075123 1350431422 /nfs/dbraw/zinc/43/14/22/1350431422.db2.gz NYHPYPOJMVNWBJ-UHFFFAOYSA-N -1 0 335.341 2.083 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)ccc1[N+](=O)[O-] ZINC001602232536 1350471666 /nfs/dbraw/zinc/47/16/66/1350471666.db2.gz JCUUNCUVZWDSFU-JVQVWZCXSA-N -1 0 326.736 2.296 20 5 EEBDRM O=C([O-])c1cnc(Sc2nnc(NC3CC3)s2)c([N+](=O)[O-])c1 ZINC001602534779 1350540659 /nfs/dbraw/zinc/54/06/59/1350540659.db2.gz LQLJGVIZNXDFJZ-UHFFFAOYSA-N -1 0 339.358 2.265 20 5 EEBDRM C[C@@H](C(=O)NCCc1ncc(C(=O)[O-])s1)c1cccc([N+](=O)[O-])c1 ZINC001603166319 1350654225 /nfs/dbraw/zinc/65/42/25/1350654225.db2.gz MPQGPLFHIODJNF-SECBINFHSA-N -1 0 349.368 2.212 20 5 EEBDRM CC(C)(C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001603234777 1350666795 /nfs/dbraw/zinc/66/67/95/1350666795.db2.gz AJGRWQPFAOEBOJ-LBPRGKRZSA-N -1 0 334.372 2.490 20 5 EEBDRM CC(C)c1nnc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)o1 ZINC001604021050 1350831355 /nfs/dbraw/zinc/83/13/55/1350831355.db2.gz LHHSCMLUKXFEOM-OAHLLOKOSA-N -1 0 334.332 2.191 20 5 EEBDRM C[C@@H](Cc1cccnc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001604234131 1350900097 /nfs/dbraw/zinc/90/00/97/1350900097.db2.gz LKPUTCXZABZNQL-JTQLQIEISA-N -1 0 329.312 2.049 20 5 EEBDRM C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC001604277855 1350907938 /nfs/dbraw/zinc/90/79/38/1350907938.db2.gz PYBIOPMQHXPSDD-MRVPVSSYSA-N -1 0 335.341 2.169 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604937133 1351035326 /nfs/dbraw/zinc/03/53/26/1351035326.db2.gz PZXUSVJOWGJLKB-WRWORJQWSA-N -1 0 346.286 2.425 20 5 EEBDRM CCOc1cc(COC(=O)c2ccnc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001605672152 1351214842 /nfs/dbraw/zinc/21/48/42/1351214842.db2.gz NPJHOQDXIWLZGH-UHFFFAOYSA-N -1 0 346.295 2.444 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(=O)[O-] ZINC001607191883 1351446133 /nfs/dbraw/zinc/44/61/33/1351446133.db2.gz RAYNXHJLLYGDMP-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001607292193 1351466326 /nfs/dbraw/zinc/46/63/26/1351466326.db2.gz YSXUFFZQFXXURN-OAHLLOKOSA-N -1 0 345.307 2.456 20 5 EEBDRM COc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC001607330293 1351475463 /nfs/dbraw/zinc/47/54/63/1351475463.db2.gz MKTAZEXFPLMGDS-AWEZNQCLSA-N -1 0 330.296 2.159 20 5 EEBDRM Cc1c(NC(=O)C(C)(C)n2cccn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607537976 1351512185 /nfs/dbraw/zinc/51/21/85/1351512185.db2.gz FEXOCKSPVUTWGT-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001607824631 1351565892 /nfs/dbraw/zinc/56/58/92/1351565892.db2.gz CAENHIHNDWOQMX-QMMMGPOBSA-N -1 0 334.250 2.347 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001608273781 1351660617 /nfs/dbraw/zinc/66/06/17/1351660617.db2.gz ZMRFUHPESYJQBY-UHFFFAOYSA-N -1 0 335.360 2.332 20 5 EEBDRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001608365124 1351679654 /nfs/dbraw/zinc/67/96/54/1351679654.db2.gz IHQWECXZUYUWDG-YPMHNXCESA-N -1 0 338.335 2.426 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1 ZINC001608389733 1351684803 /nfs/dbraw/zinc/68/48/03/1351684803.db2.gz ZRUJYFILJPGDTB-GFCCVEGCSA-N -1 0 335.703 2.199 20 5 EEBDRM CCC(CC)CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850888863 1369239266 /nfs/dbraw/zinc/23/92/66/1369239266.db2.gz OKHCRBZDFXIDHG-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM CC1(C)CC(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000796720070 1371460148 /nfs/dbraw/zinc/46/01/48/1371460148.db2.gz KSUXYAOFLNFSIV-UHFFFAOYSA-N -1 0 346.792 2.489 20 5 EEBDRM CC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000835154704 1372597198 /nfs/dbraw/zinc/59/71/98/1372597198.db2.gz HYXCNJKJUQSHBT-SCZZXKLOSA-N -1 0 332.403 2.288 20 5 EEBDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000175123651 773466606 /nfs/dbraw/zinc/46/66/06/773466606.db2.gz XICNZKUKOQBNNI-UHFFFAOYSA-N -1 0 338.341 2.232 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cccc(Cl)c1 ZINC000112160684 775423947 /nfs/dbraw/zinc/42/39/47/775423947.db2.gz IGYFQZOCFHIPGG-UHFFFAOYSA-N -1 0 346.773 2.428 20 5 EEBDRM O=C(CC1CCCC1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000069574129 776872907 /nfs/dbraw/zinc/87/29/07/776872907.db2.gz ZGJGUMJHUUCHTI-UHFFFAOYSA-N -1 0 326.374 2.121 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)nn1C ZINC000817354564 784692752 /nfs/dbraw/zinc/69/27/52/784692752.db2.gz MSEJNBFISGESDD-UHFFFAOYSA-N -1 0 342.352 2.139 20 5 EEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1ccccc1 ZINC000821603483 786818943 /nfs/dbraw/zinc/81/89/43/786818943.db2.gz ZTFWMXQPRHMDIC-UHFFFAOYSA-N -1 0 349.368 2.145 20 5 EEBDRM Nc1ccc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000823338993 787694908 /nfs/dbraw/zinc/69/49/08/787694908.db2.gz BRLIZHQMGBHFAF-CYBMUJFWSA-N -1 0 335.360 2.330 20 5 EEBDRM Cc1ccc(N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c([N+](=O)[O-])c1 ZINC000844216868 788934175 /nfs/dbraw/zinc/93/41/75/788934175.db2.gz ATVTZTXRSMJDKH-LLVKDONJSA-N -1 0 331.332 2.034 20 5 EEBDRM Cc1c(Br)c(N(CC(=O)[O-])CC2CC2)ncc1[N+](=O)[O-] ZINC000165658924 789541182 /nfs/dbraw/zinc/54/11/82/789541182.db2.gz KFUJIZOKBSTUEH-UHFFFAOYSA-N -1 0 344.165 2.362 20 5 EEBDRM O=C(c1n[n-]c2ccccc2c1=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172359951 791641666 /nfs/dbraw/zinc/64/16/66/791641666.db2.gz OKXLNVCGJSKYQP-UHFFFAOYSA-N -1 0 336.307 2.034 20 5 EEBDRM O=C([O-])c1ccc(Nc2cccc3c2C(=O)NCC3)cc1[N+](=O)[O-] ZINC001174505395 797785065 /nfs/dbraw/zinc/78/50/65/797785065.db2.gz FKYDSPSMTNFYSP-UHFFFAOYSA-N -1 0 327.296 2.323 20 5 EEBDRM CCn1cnc2c1ncnc2Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176672272 798523408 /nfs/dbraw/zinc/52/34/08/798523408.db2.gz HXMRZDSYACYVLU-UHFFFAOYSA-N -1 0 328.288 2.196 20 5 EEBDRM NC(=O)c1ccnc(Cl)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176674685 798523429 /nfs/dbraw/zinc/52/34/29/798523429.db2.gz OEKOXCXEHKIVHG-UHFFFAOYSA-N -1 0 336.691 2.184 20 5 EEBDRM COC(=O)c1cc(N)cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176677431 798524756 /nfs/dbraw/zinc/52/47/56/798524756.db2.gz WFEKNJPDBGBHFQ-UHFFFAOYSA-N -1 0 331.284 2.405 20 5 EEBDRM CCOC(=O)C1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCC1 ZINC000791846688 809458233 /nfs/dbraw/zinc/45/82/33/809458233.db2.gz GSDIEGQAPYBOBX-UHFFFAOYSA-N -1 0 336.344 2.154 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000843036608 955618221 /nfs/dbraw/zinc/61/82/21/955618221.db2.gz NDYKKPMUKNUYFO-ZJUUUORDSA-N -1 0 335.316 2.217 20 5 EEBDRM CC(C)[C@H](CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001589051560 955665722 /nfs/dbraw/zinc/66/57/22/955665722.db2.gz BPRZGGMOSOBSQX-YPMHNXCESA-N -1 0 337.376 2.354 20 5 EEBDRM COc1cc(C(=O)Nc2cncc(C(=O)[O-])c2)c([N+](=O)[O-])cc1F ZINC001594050475 957981133 /nfs/dbraw/zinc/98/11/33/957981133.db2.gz DQIZPEDIQHDEJX-UHFFFAOYSA-N -1 0 335.247 2.088 20 5 EEBDRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c([N+](=O)[O-])cc1F ZINC001594050883 957988681 /nfs/dbraw/zinc/98/86/81/957988681.db2.gz PXUJPKOIZCEKHP-UHFFFAOYSA-N -1 0 335.247 2.088 20 5 EEBDRM O=C([O-])C[C@@H]1COCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000129508925 958709842 /nfs/dbraw/zinc/70/98/42/958709842.db2.gz RTKRJLDCAUSKNU-SECBINFHSA-N -1 0 345.149 2.037 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001594192842 959172173 /nfs/dbraw/zinc/17/21/73/959172173.db2.gz IJUCLOSBSZCINP-GXSJLCMTSA-N -1 0 338.385 2.500 20 5 EEBDRM C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC001573747954 960512884 /nfs/dbraw/zinc/51/28/84/960512884.db2.gz FQIBFDZUKWWCIW-FBUXBERBSA-N -1 0 332.356 2.268 20 5 EEBDRM CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(C)(C)CC(=O)[O-] ZINC001261762668 960756642 /nfs/dbraw/zinc/75/66/42/960756642.db2.gz BIBAOZAPTFTOOS-UHFFFAOYSA-N -1 0 337.376 2.499 20 5 EEBDRM Cc1cc(NC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001574338204 960921719 /nfs/dbraw/zinc/92/17/19/960921719.db2.gz GPXXUEHFERZUKB-CYBMUJFWSA-N -1 0 344.327 2.116 20 5 EEBDRM CC(C)Oc1cc(C(=O)Nc2c[nH]nc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001588935124 962487682 /nfs/dbraw/zinc/48/76/82/962487682.db2.gz JXDGRCPNEXDVJE-UHFFFAOYSA-N -1 0 334.288 2.056 20 5 EEBDRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001605839553 972574754 /nfs/dbraw/zinc/57/47/54/972574754.db2.gz QJRIYDSIEKXGCM-HAQNSBGRSA-N -1 0 336.347 2.274 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)n1 ZINC001605224401 972975153 /nfs/dbraw/zinc/97/51/53/972975153.db2.gz GAPYOKAWSBXITH-ADEWGFFLSA-N -1 0 335.360 2.163 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]21 ZINC000849349450 979500019 /nfs/dbraw/zinc/50/00/19/979500019.db2.gz ZGMQCDHLQHNTJT-JYAVWHMHSA-N -1 0 325.324 2.424 20 5 EEBDRM C[C@H](Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1)C(=O)[O-] ZINC001592873772 979737051 /nfs/dbraw/zinc/73/70/51/979737051.db2.gz ZKPWYBVHOCJNIE-SECBINFHSA-N -1 0 344.327 2.088 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000871867832 979976720 /nfs/dbraw/zinc/97/67/20/979976720.db2.gz TUTFSCBZOCGXOK-LLVKDONJSA-N -1 0 334.250 2.451 20 5 EEBDRM C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ncc(C(=O)[O-])s1 ZINC001593040138 980322463 /nfs/dbraw/zinc/32/24/63/980322463.db2.gz NCJRBZVQFPTGLC-QMMMGPOBSA-N -1 0 335.341 2.169 20 5 EEBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cn(C)nc1[N+](=O)[O-] ZINC001595362339 980770157 /nfs/dbraw/zinc/77/01/57/980770157.db2.gz BCJUQUMADKIPAO-CQSZACIVSA-N -1 0 332.360 2.366 20 5 EEBDRM CC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595440860 981078498 /nfs/dbraw/zinc/07/84/98/981078498.db2.gz MLQURWUWZANDID-JOYOIKCWSA-N -1 0 342.373 2.150 20 5 EEBDRM CC[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@H]1C ZINC001595463920 981147680 /nfs/dbraw/zinc/14/76/80/981147680.db2.gz HBXKUBWVDKYYFJ-UWVGGRQHSA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC001594791326 981848960 /nfs/dbraw/zinc/84/89/60/981848960.db2.gz IAHQICYNYQENQW-MRXNPFEDSA-N -1 0 335.360 2.404 20 5 EEBDRM CCCc1[nH]nc(C(=O)O[C@@H](C(=O)[O-])c2ccsc2)c1[N+](=O)[O-] ZINC001596030512 983299164 /nfs/dbraw/zinc/29/91/64/983299164.db2.gz WTUHTUYBSBLMCT-LLVKDONJSA-N -1 0 339.329 2.315 20 5 EEBDRM CCOC(=O)/C(=C/c1cc(C(=O)[O-])co1)c1ccc([N+](=O)[O-])cn1 ZINC001596509194 984269375 /nfs/dbraw/zinc/26/93/75/984269375.db2.gz COWQGASKRPXDLL-WUXMJOGZSA-N -1 0 332.268 2.385 20 5 EEBDRM C[C@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC001599931891 985329865 /nfs/dbraw/zinc/32/98/65/985329865.db2.gz CZZAVTJMHAJURV-XVKPBYJWSA-N -1 0 334.250 2.292 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCc2c1cccc2[N+](=O)[O-] ZINC001599959607 985756592 /nfs/dbraw/zinc/75/65/92/985756592.db2.gz XEXHNPZVZGCIJB-UHFFFAOYSA-N -1 0 329.312 2.175 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C[C@@H](C)S1=O ZINC001594574578 986405685 /nfs/dbraw/zinc/40/56/85/986405685.db2.gz BHKMCEHZMSENJE-HTQZYQBOSA-N -1 0 346.792 2.292 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC[S@](=O)C1 ZINC001594575810 986414309 /nfs/dbraw/zinc/41/43/09/986414309.db2.gz OQTRMGGVOTWXPU-PJLCYMMNSA-N -1 0 346.792 2.151 20 5 EEBDRM C[C@H]([C@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1F)[N+](=O)[O-] ZINC001589554040 987296547 /nfs/dbraw/zinc/29/65/47/987296547.db2.gz VVICHUFFJWEUHT-DNJQJEMRSA-N -1 0 325.292 2.186 20 5 EEBDRM CC[C@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1cccc([N+](=O)[O-])c1 ZINC001597334333 987469729 /nfs/dbraw/zinc/46/97/29/987469729.db2.gz NQZWTPWGTCTFMT-AWEZNQCLSA-N -1 0 343.339 2.498 20 5 EEBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001589617088 987488649 /nfs/dbraw/zinc/48/86/49/987488649.db2.gz MXXZFZBIGPNBNC-SNVBAGLBSA-N -1 0 335.360 2.021 20 5 EEBDRM CC(C)(C)C[C@H](O)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001589756634 988066369 /nfs/dbraw/zinc/06/63/69/988066369.db2.gz BWOOWJWCAPPHLC-LBPRGKRZSA-N -1 0 325.317 2.133 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ocnc1C(=O)[O-] ZINC001597563831 988318456 /nfs/dbraw/zinc/31/84/56/988318456.db2.gz XEWHMHBLOBSSSV-UHFFFAOYSA-N -1 0 333.300 2.415 20 5 EEBDRM CCc1cccnc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597621800 988553014 /nfs/dbraw/zinc/55/30/14/988553014.db2.gz SKFPFLDUQNHMEY-QGZVFWFLSA-N -1 0 343.339 2.282 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001597772076 989233710 /nfs/dbraw/zinc/23/37/10/989233710.db2.gz DAQBMDZRYXDFSF-UHFFFAOYSA-N -1 0 339.325 2.422 20 5 EEBDRM CC(C)(CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@]1(O)CCCOC1 ZINC001590774249 990576624 /nfs/dbraw/zinc/57/66/24/990576624.db2.gz LAKBUVDTEIEIEQ-INIZCTEOSA-N -1 0 338.360 2.273 20 5 EEBDRM CC(C)(NC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccc([N+](=O)[O-])cc1 ZINC001590843987 990711476 /nfs/dbraw/zinc/71/14/76/990711476.db2.gz COMWGTRCVGCBNO-UHFFFAOYSA-N -1 0 343.339 2.282 20 5 EEBDRM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC001598507104 992519286 /nfs/dbraw/zinc/51/92/86/992519286.db2.gz MFESJUOCGXUPOA-INIZCTEOSA-N -1 0 330.340 2.458 20 5 EEBDRM CN(Cc1cccn1C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598520494 992672173 /nfs/dbraw/zinc/67/21/73/992672173.db2.gz UJJTYKGVWBMSRZ-UHFFFAOYSA-N -1 0 333.344 2.029 20 5 EEBDRM COc1cccc([C@@H](C(=O)[O-])N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC001599648839 994465137 /nfs/dbraw/zinc/46/51/37/994465137.db2.gz ATBXEACJJNHEIQ-INIZCTEOSA-N -1 0 343.339 2.182 20 5 EEBDRM COc1cccc([C@H](O)CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001599660069 994642846 /nfs/dbraw/zinc/64/28/46/994642846.db2.gz PYDYMVZATXUKQC-OAHLLOKOSA-N -1 0 332.312 2.447 20 5 EEBDRM COC(=O)[C@]1(C)CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001598717854 995436544 /nfs/dbraw/zinc/43/65/44/995436544.db2.gz JEFSYEIFOHGVQK-CQSZACIVSA-N -1 0 342.735 2.336 20 5 EEBDRM C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)C(C)(C)C(=O)[O-] ZINC001593578919 995691015 /nfs/dbraw/zinc/69/10/15/995691015.db2.gz NZZBVFUBKLWUDR-ZETCQYMHSA-N -1 0 343.719 2.473 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC1(C(=O)[O-])CC1 ZINC001593667597 996059294 /nfs/dbraw/zinc/05/92/94/996059294.db2.gz RJTPVDBCMKUEKE-SECBINFHSA-N -1 0 325.342 2.483 20 5 EEBDRM COc1ccc(CC(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC001599547547 997948692 /nfs/dbraw/zinc/94/86/92/997948692.db2.gz VLDYGVBXMQDNTJ-SNVBAGLBSA-N -1 0 336.344 2.000 20 5 EEBDRM C[C@]12COC[C@H]1CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)C2 ZINC001594090977 998041262 /nfs/dbraw/zinc/04/12/62/998041262.db2.gz WGMRKWQELVGAFT-CLAHSXSESA-N -1 0 326.736 2.419 20 5 EEBDRM COCCOC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599249469 998204089 /nfs/dbraw/zinc/20/40/89/998204089.db2.gz KKLOROPMZJZEOB-MRVPVSSYSA-N -1 0 332.740 2.410 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])c1 ZINC001598987952 998711743 /nfs/dbraw/zinc/71/17/43/998711743.db2.gz LAATTZHRQSZKHM-CQSZACIVSA-N -1 0 336.344 2.211 20 5 EEBDRM CO[C@H](CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C1CC1 ZINC001599050105 999181491 /nfs/dbraw/zinc/18/14/91/999181491.db2.gz RGYPWOLKIZYNAF-CYBMUJFWSA-N -1 0 337.332 2.148 20 5 EEBDRM CN(c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C)[C@H]1CCSC1 ZINC001519970208 1119117404 /nfs/dbraw/zinc/11/74/04/1119117404.db2.gz DFNKSFIUYCIHCH-JTQLQIEISA-N -1 0 335.389 2.038 20 5 EEBDRM CC(C)(CS(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001603661384 1119186392 /nfs/dbraw/zinc/18/63/92/1119186392.db2.gz MRMLPUXVFXEHGP-UHFFFAOYSA-N -1 0 337.737 2.068 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1C(N)=O ZINC000066587159 215056466 /nfs/dbraw/zinc/05/64/66/215056466.db2.gz OFMPIRHTJYXBEB-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1ccc([C@H]2COCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000179505510 233114591 /nfs/dbraw/zinc/11/45/91/233114591.db2.gz WXVRFEDZSJSELM-CYBMUJFWSA-N -1 0 332.312 2.416 20 5 EEBDRM C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000068441860 215308653 /nfs/dbraw/zinc/30/86/53/215308653.db2.gz UOQNGTFRBGLBFS-GFCCVEGCSA-N -1 0 341.367 2.481 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237775806 242790863 /nfs/dbraw/zinc/79/08/63/242790863.db2.gz UNHXZAGADLEQPZ-INIZCTEOSA-N -1 0 335.360 2.110 20 5 EEBDRM Cc1coc(CC(=O)[O-])c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000455862344 244096200 /nfs/dbraw/zinc/09/62/00/244096200.db2.gz OPHKWMPZKHBTFT-UHFFFAOYSA-N -1 0 332.312 2.362 20 5 EEBDRM C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC000262999400 245292462 /nfs/dbraw/zinc/29/24/62/245292462.db2.gz OTHQXTQUIXFEPE-SWLSCSKDSA-N -1 0 349.387 2.356 20 5 EEBDRM C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000263157325 245347438 /nfs/dbraw/zinc/34/74/38/245347438.db2.gz XUHRQOBEIAIOCM-FZMZJTMJSA-N -1 0 335.360 2.109 20 5 EEBDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000490636157 245856640 /nfs/dbraw/zinc/85/66/40/245856640.db2.gz BQKFLKPHWPPJOV-KTKRTIGZSA-N -1 0 346.364 2.422 20 5 EEBDRM O=C(Nc1cnn(CC(F)(F)F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356584787 141021041 /nfs/dbraw/zinc/02/10/41/141021041.db2.gz XBRASVDKWNANMI-UHFFFAOYSA-N -1 0 330.222 2.312 20 5 EEBDRM COC(=O)[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc21 ZINC000356600068 141023716 /nfs/dbraw/zinc/02/37/16/141023716.db2.gz SFNFSDZRODWPOT-CQSZACIVSA-N -1 0 342.307 2.217 20 5 EEBDRM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356605282 141024859 /nfs/dbraw/zinc/02/48/59/141024859.db2.gz NUCUCPKRAYJQGD-UHFFFAOYSA-N -1 0 327.296 2.437 20 5 EEBDRM C[C@@H](CN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263086126 152371207 /nfs/dbraw/zinc/37/12/07/152371207.db2.gz BTRNYYLJDVAJCI-VIFPVBQESA-N -1 0 344.751 2.196 20 5 EEBDRM O=C([O-])[C@@H](CC(F)F)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263177222 152395861 /nfs/dbraw/zinc/39/58/61/152395861.db2.gz ZFTNEQPMVDMGEC-LLVKDONJSA-N -1 0 345.302 2.012 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-n2ccnn2)c1 ZINC000092546262 159222473 /nfs/dbraw/zinc/22/24/73/159222473.db2.gz RHPFEARGCPPSQZ-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([O-])CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237990082 160226823 /nfs/dbraw/zinc/22/68/23/160226823.db2.gz ABDSFTNHFHINAL-UHFFFAOYSA-N -1 0 335.341 2.313 20 5 EEBDRM O=C([O-])C1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000237996537 160226938 /nfs/dbraw/zinc/22/69/38/160226938.db2.gz CKTRAINJOXTFIP-UHFFFAOYSA-N -1 0 333.325 2.065 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCCC(=O)[O-] ZINC000243980388 160230034 /nfs/dbraw/zinc/23/00/34/160230034.db2.gz SCUDHDAFICUIIB-UHFFFAOYSA-N -1 0 325.321 2.370 20 5 EEBDRM COCC[C@H](Cc1ccco1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000345324857 161292341 /nfs/dbraw/zinc/29/23/41/161292341.db2.gz RNXMKBFWBKYKFD-GFCCVEGCSA-N -1 0 334.328 2.271 20 5 EEBDRM CCc1[nH]nc(C(=O)[N-]c2nnc(-c3ccco3)s2)c1[N+](=O)[O-] ZINC000345514160 161307866 /nfs/dbraw/zinc/30/78/66/161307866.db2.gz FFNIPNCOHZWECF-UHFFFAOYSA-N -1 0 334.317 2.244 20 5 EEBDRM NC(=O)CSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356301831 163398015 /nfs/dbraw/zinc/39/80/15/163398015.db2.gz YPWRLCCZURCDAV-UHFFFAOYSA-N -1 0 347.352 2.130 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cc1CC ZINC000359403671 164127423 /nfs/dbraw/zinc/12/74/23/164127423.db2.gz HFTNRRVGRKEDON-UHFFFAOYSA-N -1 0 335.385 2.337 20 5 EEBDRM C[C@](CO)(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)Cc1ccccc1 ZINC000360299267 164279128 /nfs/dbraw/zinc/27/91/28/164279128.db2.gz IZBQMBZNLJSIBB-GOSISDBHSA-N -1 0 344.367 2.272 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC000274965275 269079980 /nfs/dbraw/zinc/07/99/80/269079980.db2.gz IBIUPPDBTYXAQP-GFCCVEGCSA-N -1 0 344.389 2.071 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000285084694 274675971 /nfs/dbraw/zinc/67/59/71/274675971.db2.gz MSJFNMTWSBOEDM-UHFFFAOYSA-N -1 0 340.336 2.068 20 5 EEBDRM O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000288551010 275069317 /nfs/dbraw/zinc/06/93/17/275069317.db2.gz IUDRCGYGXZMVEC-VIFPVBQESA-N -1 0 347.293 2.057 20 5 EEBDRM O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000290811653 275242295 /nfs/dbraw/zinc/24/22/95/275242295.db2.gz FHZAVEXFRMIFRD-RDTXWAMCSA-N -1 0 342.351 2.196 20 5 EEBDRM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000297186492 294174880 /nfs/dbraw/zinc/17/48/80/294174880.db2.gz LNBTTYWDOHGLFM-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM Cn1nccc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000370142739 303089672 /nfs/dbraw/zinc/08/96/72/303089672.db2.gz ZUUXZRQHHGQRHK-NSHDSACASA-N -1 0 330.344 2.054 20 5 EEBDRM Nc1c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000262367316 303491562 /nfs/dbraw/zinc/49/15/62/303491562.db2.gz JNVSBOZHSNSWIC-XWIASGKRSA-N -1 0 333.344 2.035 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000358501157 304806850 /nfs/dbraw/zinc/80/68/50/304806850.db2.gz WZKDPRSKLMHJGF-UHFFFAOYSA-N -1 0 338.316 2.470 20 5 EEBDRM Cc1sc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000331553078 311870614 /nfs/dbraw/zinc/87/06/14/311870614.db2.gz GYCROFMBYVBAQM-QMMMGPOBSA-N -1 0 337.361 2.156 20 5 EEBDRM COC(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436889395 315009706 /nfs/dbraw/zinc/00/97/06/315009706.db2.gz YGBHCZXQNHABKB-UHFFFAOYSA-N -1 0 344.323 2.060 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccsc1 ZINC000436939607 315014477 /nfs/dbraw/zinc/01/44/77/315014477.db2.gz PFZSANANKZCERB-GFCCVEGCSA-N -1 0 336.325 2.006 20 5 EEBDRM CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(O)c1 ZINC000436957855 315016857 /nfs/dbraw/zinc/01/68/57/315016857.db2.gz BFEQBJVYSBNRRX-UHFFFAOYSA-N -1 0 346.295 2.435 20 5 EEBDRM COC(=O)[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc21 ZINC000436966525 315017121 /nfs/dbraw/zinc/01/71/21/315017121.db2.gz VJUMQJZCUAGAHO-GFCCVEGCSA-N -1 0 342.307 2.217 20 5 EEBDRM COC(=O)C1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCC(C)CC1 ZINC000436962330 315017195 /nfs/dbraw/zinc/01/71/95/315017195.db2.gz DVVFRPOLJQRDCQ-UHFFFAOYSA-N -1 0 336.344 2.152 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2noc(C)c2C)cc1[N+](=O)[O-] ZINC000451052209 315447439 /nfs/dbraw/zinc/44/74/39/315447439.db2.gz WRCKKFNGUVOOMO-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM COC[C@@]1(C)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000514675509 316410910 /nfs/dbraw/zinc/41/09/10/316410910.db2.gz ODNSKOUWLLBQSC-AWEZNQCLSA-N -1 0 328.752 2.452 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000515642970 316509865 /nfs/dbraw/zinc/50/98/65/316509865.db2.gz DEKNWBCPHWZPSG-MJVIPROJSA-N -1 0 335.360 2.408 20 5 EEBDRM CNc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000537369490 318016619 /nfs/dbraw/zinc/01/66/19/318016619.db2.gz UJMDWRWEEZPODC-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM COC(=O)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000541862011 318113075 /nfs/dbraw/zinc/11/30/75/318113075.db2.gz CKPZOEAFRHDTAE-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000563195636 318982249 /nfs/dbraw/zinc/98/22/49/318982249.db2.gz SBPBBQNBRXHFMR-ZJUUUORDSA-N -1 0 340.763 2.452 20 5 EEBDRM C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000566179241 319256620 /nfs/dbraw/zinc/25/66/20/319256620.db2.gz KLABXSSVUZBQML-BXKDBHETSA-N -1 0 342.373 2.150 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000566298030 319271322 /nfs/dbraw/zinc/27/13/22/319271322.db2.gz SALBWSDVSXNMQX-KGLIPLIRSA-N -1 0 335.360 2.004 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@@H](c3ccncc3)C2)n1 ZINC000579249761 323811080 /nfs/dbraw/zinc/81/10/80/323811080.db2.gz YBNTZGSBIHJGES-SMDDNHRTSA-N -1 0 344.327 2.415 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](c3ccncc3)C2)n1 ZINC000579249728 323811301 /nfs/dbraw/zinc/81/13/01/323811301.db2.gz YBNTZGSBIHJGES-BXUZGUMPSA-N -1 0 344.327 2.415 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NCCCC(C)C)cc1[N+](=O)[O-] ZINC000580559608 324088611 /nfs/dbraw/zinc/08/86/11/324088611.db2.gz QUXOGRQANDHWLH-UHFFFAOYSA-N -1 0 344.389 2.316 20 5 EEBDRM CCOc1ncccc1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000514674555 448184720 /nfs/dbraw/zinc/18/47/20/448184720.db2.gz CFWUEMZMXKDIFY-UHFFFAOYSA-N -1 0 332.316 2.402 20 5 EEBDRM COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000328014113 465056586 /nfs/dbraw/zinc/05/65/86/465056586.db2.gz WYKBLZDXXDZQBF-CYBMUJFWSA-N -1 0 344.323 2.029 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000336877213 465070151 /nfs/dbraw/zinc/07/01/51/465070151.db2.gz ODQZAXXFMPCLKN-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000351709930 465309212 /nfs/dbraw/zinc/30/92/12/465309212.db2.gz MOJLZOSNBMDABN-UHFFFAOYSA-N -1 0 328.375 2.149 20 5 EEBDRM Cn1nccc1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000520818643 468272976 /nfs/dbraw/zinc/27/29/76/468272976.db2.gz WXEFDPKMCHMKRJ-NSHDSACASA-N -1 0 330.344 2.411 20 5 EEBDRM COc1cc(CNc2nnc(-c3ccncc3)o2)cc([N+](=O)[O-])c1[O-] ZINC000154765048 462805807 /nfs/dbraw/zinc/80/58/07/462805807.db2.gz SNAAPLPPTOZLKO-UHFFFAOYSA-N -1 0 343.299 2.366 20 5 EEBDRM COCCNc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000117978740 462818375 /nfs/dbraw/zinc/81/83/75/462818375.db2.gz BWEUSWUWXLTTRW-UHFFFAOYSA-N -1 0 345.355 2.289 20 5 EEBDRM CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000014869401 462933859 /nfs/dbraw/zinc/93/38/59/462933859.db2.gz JPXREEWLXJVDFV-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000092472061 462954569 /nfs/dbraw/zinc/95/45/69/462954569.db2.gz FTCISCAIMYZMBM-QGZVFWFLSA-N -1 0 346.383 2.310 20 5 EEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000156392541 463018533 /nfs/dbraw/zinc/01/85/33/463018533.db2.gz BSIMJAUTRVKIGN-UHFFFAOYSA-N -1 0 348.340 2.286 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)ccc1[N+](=O)[O-] ZINC000121381355 463126713 /nfs/dbraw/zinc/12/67/13/463126713.db2.gz LNTJAIJHSKQTAA-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM Cc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])on1 ZINC000142510439 463361461 /nfs/dbraw/zinc/36/14/61/463361461.db2.gz FFPMPSCIWMPQDB-UHFFFAOYSA-N -1 0 331.737 2.023 20 5 EEBDRM O=C(Nc1ccc(Cn2cncn2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000162705089 463532300 /nfs/dbraw/zinc/53/23/00/463532300.db2.gz DUIJMJZPGPSVIM-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164608705 463626951 /nfs/dbraw/zinc/62/69/51/463626951.db2.gz JBZNSTLNEULYHF-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178201455 463860938 /nfs/dbraw/zinc/86/09/38/463860938.db2.gz FJZLHPODHVMJSN-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(C(=O)C(F)(F)F)CC1 ZINC000185741045 463871130 /nfs/dbraw/zinc/87/11/30/463871130.db2.gz IITSIJZBHNSKFQ-UHFFFAOYSA-N -1 0 346.261 2.284 20 5 EEBDRM C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000262204853 463972498 /nfs/dbraw/zinc/97/24/98/463972498.db2.gz JYGBUJYPLSADLM-ZETCQYMHSA-N -1 0 345.149 2.198 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000181710503 464522959 /nfs/dbraw/zinc/52/29/59/464522959.db2.gz XZPPUUJDLPXYGB-UHFFFAOYSA-N -1 0 341.327 2.451 20 5 EEBDRM O=C(NC1CCN(c2nccs2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000281638435 464531180 /nfs/dbraw/zinc/53/11/80/464531180.db2.gz NBOKUVNKTHTUEK-UHFFFAOYSA-N -1 0 348.384 2.156 20 5 EEBDRM CCOC(=O)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000272323020 464564253 /nfs/dbraw/zinc/56/42/53/464564253.db2.gz BHMVVYQPBJVDAT-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000282253381 464752816 /nfs/dbraw/zinc/75/28/16/464752816.db2.gz VWKSFNWTMCDORK-XHSDSOJGSA-N -1 0 334.372 2.456 20 5 EEBDRM C[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000295387846 464812859 /nfs/dbraw/zinc/81/28/59/464812859.db2.gz QCTJUAXWKGKYFY-QMMMGPOBSA-N -1 0 347.293 2.229 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2 ZINC000356354667 465333880 /nfs/dbraw/zinc/33/38/80/465333880.db2.gz XJLRHMGXNRXXAN-SECBINFHSA-N -1 0 341.323 2.286 20 5 EEBDRM O=C(COCCOc1ccccc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000340550860 466167329 /nfs/dbraw/zinc/16/73/29/466167329.db2.gz ZJSKSMHVPUXIRC-UHFFFAOYSA-N -1 0 332.312 2.335 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)CC1(CC(=O)[O-])CCC1 ZINC000591531549 468479978 /nfs/dbraw/zinc/47/99/78/468479978.db2.gz YHAMMPLDDDSLCV-UHFFFAOYSA-N -1 0 336.344 2.255 20 5 EEBDRM Cc1ccc(OCCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000350100673 466384990 /nfs/dbraw/zinc/38/49/90/466384990.db2.gz UFVMSBWEUHRISH-UHFFFAOYSA-N -1 0 344.323 2.410 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](CO)C2CCCCC2)n1 ZINC000581550704 468495468 /nfs/dbraw/zinc/49/54/68/468495468.db2.gz LQGJHQGYOMOCNT-GFCCVEGCSA-N -1 0 337.376 2.597 20 5 EEBDRM COc1ncccc1Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000350476636 466508468 /nfs/dbraw/zinc/50/84/68/466508468.db2.gz JVTSHNJDNNUEQZ-UHFFFAOYSA-N -1 0 328.284 2.345 20 5 EEBDRM CCc1ncc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cn1 ZINC000350741339 466593143 /nfs/dbraw/zinc/59/31/43/466593143.db2.gz NXWWRLHYDSCTCV-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM COc1cc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000424259810 467016028 /nfs/dbraw/zinc/01/60/28/467016028.db2.gz ZDLOSIYHAAUBSU-XPTSAGLGSA-N -1 0 336.344 2.237 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cn2)cc1 ZINC000427627405 467168578 /nfs/dbraw/zinc/16/85/78/467168578.db2.gz ALCNUDTXWHXMSS-UHFFFAOYSA-N -1 0 345.283 2.392 20 5 EEBDRM CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427908637 467185549 /nfs/dbraw/zinc/18/55/49/467185549.db2.gz NUDYSTSKYOHKEY-UHFFFAOYSA-N -1 0 330.296 2.301 20 5 EEBDRM COC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436516427 467542972 /nfs/dbraw/zinc/54/29/72/467542972.db2.gz VNZWJRVLXWWNSN-UHFFFAOYSA-N -1 0 332.268 2.045 20 5 EEBDRM O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436792066 467554595 /nfs/dbraw/zinc/55/45/95/467554595.db2.gz UTCLFXBRJWIIGQ-LBPRGKRZSA-N -1 0 348.330 2.021 20 5 EEBDRM COc1cccc(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)c1[N+](=O)[O-] ZINC000450524039 467864510 /nfs/dbraw/zinc/86/45/10/467864510.db2.gz KYGRWMPWEJLKFV-MRXNPFEDSA-N -1 0 336.344 2.176 20 5 EEBDRM O=C(/C=C\C1CCCC1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000493620386 467950508 /nfs/dbraw/zinc/95/05/08/467950508.db2.gz JUKUQCPVDMCYFJ-YFHOEESVSA-N -1 0 338.385 2.287 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCOC3(CCC3)C2)n1 ZINC000576230600 468161737 /nfs/dbraw/zinc/16/17/37/468161737.db2.gz IGAXSKJMHVAQAK-NSHDSACASA-N -1 0 335.360 2.758 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NCCC(C)(C)C)cc1[N+](=O)[O-] ZINC000567896033 468233041 /nfs/dbraw/zinc/23/30/41/468233041.db2.gz JSTQMNDTLDMTSL-UHFFFAOYSA-N -1 0 344.389 2.316 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C[C@H](CO)Cc2ccccc21 ZINC000590408554 468249346 /nfs/dbraw/zinc/24/93/46/468249346.db2.gz VSIMLZIHJFCIEI-LLVKDONJSA-N -1 0 328.324 2.112 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000570282790 468616519 /nfs/dbraw/zinc/61/65/19/468616519.db2.gz DZSLURWXMVWYGY-CYBMUJFWSA-N -1 0 336.344 2.067 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H](C(=O)[O-])C(C)C ZINC000594541693 468617402 /nfs/dbraw/zinc/61/74/02/468617402.db2.gz WYHVGEKLCCINNF-LBPRGKRZSA-N -1 0 333.344 2.342 20 5 EEBDRM CC(C)(CO)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cccnc1 ZINC000597844322 468689724 /nfs/dbraw/zinc/68/97/24/468689724.db2.gz DDFFOGQIDSXOTD-OAHLLOKOSA-N -1 0 345.355 2.185 20 5 EEBDRM Cc1c([C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cnn1C ZINC000592749844 468774929 /nfs/dbraw/zinc/77/49/29/468774929.db2.gz YUFWGJDTWIVHOD-ZETCQYMHSA-N -1 0 338.751 2.487 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCSCC(F)(F)F)n1 ZINC000584234487 468826361 /nfs/dbraw/zinc/82/63/61/468826361.db2.gz FAJJJXOBCZATHR-UHFFFAOYSA-N -1 0 339.295 2.704 20 5 EEBDRM COc1cccc2c1CCN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])CC2 ZINC000592975957 468831883 /nfs/dbraw/zinc/83/18/83/468831883.db2.gz BVWDVFGPGOPMSC-UHFFFAOYSA-N -1 0 343.339 2.302 20 5 EEBDRM CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598485635 468884413 /nfs/dbraw/zinc/88/44/13/468884413.db2.gz SDEMLBWYLAPKFH-BBRMVZONSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C([O-])CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000598661964 468950128 /nfs/dbraw/zinc/95/01/28/468950128.db2.gz QABRDGBSMBGCTO-UHFFFAOYSA-N -1 0 331.328 2.015 20 5 EEBDRM O=C([O-])[C@]12CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000598661736 468950265 /nfs/dbraw/zinc/95/02/65/468950265.db2.gz IMHNFBRKGYULDJ-SJKOYZFVSA-N -1 0 348.355 2.077 20 5 EEBDRM CC[C@@H]1C[C@H](C)CN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572770548 468990636 /nfs/dbraw/zinc/99/06/36/468990636.db2.gz WZWXSCXITUWCDE-VHSXEESVSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000573094959 469059945 /nfs/dbraw/zinc/05/99/45/469059945.db2.gz TYOVDRMGTQCIBZ-GFCCVEGCSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000610892071 469106208 /nfs/dbraw/zinc/10/62/08/469106208.db2.gz PHFPMDCCGJPSBK-GFCCVEGCSA-N -1 0 335.360 2.110 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccnn1C ZINC000616021682 469354571 /nfs/dbraw/zinc/35/45/71/469354571.db2.gz BCDVMUQDCBHIAA-CYBMUJFWSA-N -1 0 332.360 2.204 20 5 EEBDRM CCCC[C@H](COC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619484920 469621671 /nfs/dbraw/zinc/62/16/71/469621671.db2.gz QNXKFAYKWIDUCL-LLVKDONJSA-N -1 0 346.405 2.087 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C2CC2)[nH]n1 ZINC000619507181 469629156 /nfs/dbraw/zinc/62/91/56/469629156.db2.gz LTWRLLLWVMZIJR-UHFFFAOYSA-N -1 0 338.345 2.005 20 5 EEBDRM CC(C)(NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000613946300 469821100 /nfs/dbraw/zinc/82/11/00/469821100.db2.gz JGCUCUVBGMUDOR-UHFFFAOYSA-N -1 0 343.339 2.448 20 5 EEBDRM O=C(N[C@H]1COc2cc(F)cc(F)c21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000614035538 469836782 /nfs/dbraw/zinc/83/67/82/469836782.db2.gz NWYPXIKDVRQACU-NSHDSACASA-N -1 0 336.250 2.442 20 5 EEBDRM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000618249760 469939098 /nfs/dbraw/zinc/93/90/98/469939098.db2.gz CTBOZEKYGBDDAA-CYBMUJFWSA-N -1 0 328.324 2.293 20 5 EEBDRM Cc1noc([C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)n1 ZINC000130432212 534477184 /nfs/dbraw/zinc/47/71/84/534477184.db2.gz VGLJUDMLQHCMAC-JTQLQIEISA-N -1 0 332.316 2.012 20 5 EEBDRM Cc1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c(N)c([N+](=O)[O-])c1 ZINC000738336073 578009982 /nfs/dbraw/zinc/00/99/82/578009982.db2.gz UCPDNLVQONPLQO-UHFFFAOYSA-N -1 0 329.312 2.365 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1[N+](=O)[O-] ZINC000772320776 577264163 /nfs/dbraw/zinc/26/41/63/577264163.db2.gz WEEQETINHORGRR-UHFFFAOYSA-N -1 0 347.283 2.147 20 5 EEBDRM O=C([O-])CCCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000773227157 577324922 /nfs/dbraw/zinc/32/49/22/577324922.db2.gz RVWSFYROAYULPQ-UHFFFAOYSA-N -1 0 344.751 2.388 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000774280981 577393118 /nfs/dbraw/zinc/39/31/18/577393118.db2.gz ILPMLWSWMABIKV-GFCCVEGCSA-N -1 0 340.401 2.162 20 5 EEBDRM Cc1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000774882501 577421995 /nfs/dbraw/zinc/42/19/95/577421995.db2.gz JFVZDSNDTHXXTA-UHFFFAOYSA-N -1 0 334.250 2.129 20 5 EEBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000776793321 577468153 /nfs/dbraw/zinc/46/81/53/577468153.db2.gz MTWXVCCGQOTRLR-UHFFFAOYSA-N -1 0 346.368 2.456 20 5 EEBDRM O=C(Nc1n[nH]c(-c2cccs2)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000768945984 577566272 /nfs/dbraw/zinc/56/62/72/577566272.db2.gz TXUPRNSULFYXAC-UHFFFAOYSA-N -1 0 331.313 2.399 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1[N+](=O)[O-] ZINC000770862324 577604965 /nfs/dbraw/zinc/60/49/65/577604965.db2.gz MXOKGJUIYMRRNM-UHFFFAOYSA-N -1 0 335.276 2.307 20 5 EEBDRM O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000764144702 577731977 /nfs/dbraw/zinc/73/19/77/577731977.db2.gz ZZYOALNEAQUASC-UHFFFAOYSA-N -1 0 345.698 2.189 20 5 EEBDRM COC(=O)c1cc(C(=O)Nc2cccc3nonc32)cc([N+](=O)[O-])c1 ZINC000752954886 577779088 /nfs/dbraw/zinc/77/90/88/577779088.db2.gz UDEUIEBORAXIKC-UHFFFAOYSA-N -1 0 342.267 2.170 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000752978423 577779475 /nfs/dbraw/zinc/77/94/75/577779475.db2.gz YDZWMSXGZOZTSS-YVMONPNESA-N -1 0 330.300 2.147 20 5 EEBDRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000753604379 577790617 /nfs/dbraw/zinc/79/06/17/577790617.db2.gz CNGQPJDJLNFBGQ-UHFFFAOYSA-N -1 0 337.357 2.165 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000755910707 577834116 /nfs/dbraw/zinc/83/41/16/577834116.db2.gz RDWXQWBEIQZTOO-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM O=C([O-])CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000738597919 578020569 /nfs/dbraw/zinc/02/05/69/578020569.db2.gz HSURAQVJZXJAHW-UHFFFAOYSA-N -1 0 342.735 2.093 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOc3cc(F)ccc32)cc([N+](=O)[O-])c1 ZINC000738673644 578023438 /nfs/dbraw/zinc/02/34/38/578023438.db2.gz TZYLUFDNXBALQK-UHFFFAOYSA-N -1 0 346.270 2.471 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCCc2nccs2)cc([N+](=O)[O-])c1 ZINC000738674037 578023480 /nfs/dbraw/zinc/02/34/80/578023480.db2.gz XBHHPHQYNQCEML-UHFFFAOYSA-N -1 0 335.341 2.112 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cnn3ccccc23)cc([N+](=O)[O-])c1 ZINC000740089465 578080413 /nfs/dbraw/zinc/08/04/13/578080413.db2.gz XUFDAYKZFKRWMH-UHFFFAOYSA-N -1 0 326.268 2.193 20 5 EEBDRM C[C@@H](Sc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736714081 578219694 /nfs/dbraw/zinc/21/96/94/578219694.db2.gz XRJPOHYRFXGKDU-MRVPVSSYSA-N -1 0 335.341 2.125 20 5 EEBDRM CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736948183 578230505 /nfs/dbraw/zinc/23/05/05/578230505.db2.gz JQXDOSQUZQSVTD-CYBMUJFWSA-N -1 0 349.343 2.023 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737964904 578274829 /nfs/dbraw/zinc/27/48/29/578274829.db2.gz QEKWWZIJEHPTII-AWEZNQCLSA-N -1 0 330.296 2.159 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000819351492 597100288 /nfs/dbraw/zinc/10/02/88/597100288.db2.gz PFMSWUMXVYRFIL-LBPRGKRZSA-N -1 0 345.355 2.263 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000821515748 597437220 /nfs/dbraw/zinc/43/72/20/597437220.db2.gz NELRGWGWVALTKH-NSHDSACASA-N -1 0 345.355 2.332 20 5 EEBDRM Cc1nn(CCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(C)c1[N+](=O)[O-] ZINC000237702952 599915273 /nfs/dbraw/zinc/91/52/73/599915273.db2.gz PRGGUSLEFXECCQ-UHFFFAOYSA-N -1 0 346.343 2.444 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccn(CC(F)F)n2)cc([N+](=O)[O-])c1 ZINC000833298550 601148689 /nfs/dbraw/zinc/14/86/89/601148689.db2.gz ZIANNLJELUIUGQ-UHFFFAOYSA-N -1 0 340.242 2.007 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000833175952 601379610 /nfs/dbraw/zinc/37/96/10/601379610.db2.gz NPCXHNSORUNHKV-LLVKDONJSA-N -1 0 333.113 2.360 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000828628392 601463357 /nfs/dbraw/zinc/46/33/57/601463357.db2.gz MLBDHAKRBLLULF-AWEZNQCLSA-N -1 0 326.374 2.447 20 5 EEBDRM C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(C(=O)[O-])o1 ZINC000827809921 601463661 /nfs/dbraw/zinc/46/36/61/601463661.db2.gz JNBCYZCQIGCYCB-QMMMGPOBSA-N -1 0 337.288 2.122 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000833234847 601559992 /nfs/dbraw/zinc/55/99/92/601559992.db2.gz VTZHOWLNTCOUNQ-UHFFFAOYSA-N -1 0 329.312 2.107 20 5 EEBDRM Cc1sc(C(=O)[O-])cc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000833033940 601669620 /nfs/dbraw/zinc/66/96/20/601669620.db2.gz PWFIOKRXVYOODZ-UHFFFAOYSA-N -1 0 345.336 2.421 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])c[nH]1 ZINC000833306163 602171756 /nfs/dbraw/zinc/17/17/56/602171756.db2.gz IIEHMSHCZSNTAO-UHFFFAOYSA-N -1 0 346.704 2.042 20 5 EEBDRM CN(CC(=O)N1CCCC1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830665742 602250472 /nfs/dbraw/zinc/25/04/72/602250472.db2.gz RCQVPPBINQQWRU-UHFFFAOYSA-N -1 0 341.751 2.005 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@@H](O)C(F)(F)F)cc1Cl ZINC000833307852 602254149 /nfs/dbraw/zinc/25/41/49/602254149.db2.gz QOBDYUVHAZMPNK-MRVPVSSYSA-N -1 0 328.630 2.282 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CC(=O)[O-])C1CCCC1 ZINC000832958424 602330568 /nfs/dbraw/zinc/33/05/68/602330568.db2.gz DMBCKCNHYWEAEN-UHFFFAOYSA-N -1 0 335.360 2.171 20 5 EEBDRM COC(=O)[C@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000831218443 604269148 /nfs/dbraw/zinc/26/91/48/604269148.db2.gz NNLZELHFPGGTFP-QMMMGPOBSA-N -1 0 342.735 2.336 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263560735 604528409 /nfs/dbraw/zinc/52/84/09/604528409.db2.gz BRNPZIRQRRYPMK-JTQLQIEISA-N -1 0 329.150 2.406 20 5 EEBDRM CC(C)(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000164855981 604560946 /nfs/dbraw/zinc/56/09/46/604560946.db2.gz IVABTXZVQABPBP-UHFFFAOYSA-N -1 0 345.149 2.198 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)NCCc2cccc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000833508368 604583892 /nfs/dbraw/zinc/58/38/92/604583892.db2.gz GMIYQERWXCTDJO-UHFFFAOYSA-N -1 0 346.343 2.112 20 5 EEBDRM CN(CC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000431980223 604864423 /nfs/dbraw/zinc/86/44/23/604864423.db2.gz HCMPYTUDWMTRNB-UHFFFAOYSA-N -1 0 349.387 2.277 20 5 EEBDRM Cc1ccc(CO)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832934532 604915395 /nfs/dbraw/zinc/91/53/95/604915395.db2.gz QLSWRYQUGCTTLP-UHFFFAOYSA-N -1 0 330.296 2.346 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000833763971 605269958 /nfs/dbraw/zinc/26/99/58/605269958.db2.gz QEOPKXBPJWXAME-INIZCTEOSA-N -1 0 344.323 2.175 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C2CC2)cc([N+](=O)[O-])c1C ZINC000176077664 677699262 /nfs/dbraw/zinc/69/92/62/677699262.db2.gz HZWIEPQXUVLYLK-CHWSQXEVSA-N -1 0 338.385 2.063 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000174769058 683702170 /nfs/dbraw/zinc/70/21/70/683702170.db2.gz OYMKNJHYBURBBH-UHFFFAOYSA-N -1 0 340.336 2.141 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C(CF)CF)c(C(F)(F)F)c1 ZINC000885416537 1202412358 /nfs/dbraw/zinc/41/23/58/1202412358.db2.gz HGEAQVRVOORGJY-UHFFFAOYSA-N -1 0 348.249 2.200 20 5 EEBDRM C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852756237 1292187959 /nfs/dbraw/zinc/18/79/59/1292187959.db2.gz AIPDKUQRJDAVHU-PWSUYJOCSA-N -1 0 345.321 2.484 20 5 EEBDRM COc1ccnc(-c2noc(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)n2)c1 ZINC001216837246 1297310428 /nfs/dbraw/zinc/31/04/28/1297310428.db2.gz SOKQTAOYSAOAPH-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM O=[N+]([O-])C[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001225619934 1301096111 /nfs/dbraw/zinc/09/61/11/1301096111.db2.gz KSIOUXVKGODSNB-CQSZACIVSA-N -1 0 348.267 2.426 20 5 EEBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@@H](C[N+](=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC001228858658 1302486014 /nfs/dbraw/zinc/48/60/14/1302486014.db2.gz FKYQXAXLRHDSCM-ZETCQYMHSA-N -1 0 337.210 2.148 20 5 EEBDRM CC1=C[C@@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])CC(=O)O1 ZINC001228862113 1302488372 /nfs/dbraw/zinc/48/83/72/1302488372.db2.gz KPPBWEHZSGXXIF-ZCFIWIBFSA-N -1 0 334.206 2.312 20 5 EEBDRM C[C@@H](O)CC(=O)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234742716 1305016120 /nfs/dbraw/zinc/01/61/20/1305016120.db2.gz AAUPCGYQUMPQBO-MRVPVSSYSA-N -1 0 330.292 2.034 20 5 EEBDRM C[C@H]1CC=C(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000835278292 1314909309 /nfs/dbraw/zinc/90/93/09/1314909309.db2.gz ZLFXPYQYFDAIHO-VIFPVBQESA-N -1 0 342.348 2.285 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000835743808 1314944951 /nfs/dbraw/zinc/94/49/51/1314944951.db2.gz DDFFXXUFRIYLBP-SUNKGSAMSA-N -1 0 338.385 2.151 20 5 EEBDRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842407532 1315698979 /nfs/dbraw/zinc/69/89/79/1315698979.db2.gz WIJBSALETIAYLA-JTQLQIEISA-N -1 0 328.390 2.285 20 5 EEBDRM CNC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])c([O-])c3)n(C)c2c1 ZINC001250880048 1317358683 /nfs/dbraw/zinc/35/86/83/1317358683.db2.gz FIXKVDJUTINJOT-UHFFFAOYSA-N -1 0 326.312 2.214 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001601006451 1350187877 /nfs/dbraw/zinc/18/78/77/1350187877.db2.gz JAJIGIFNENESHI-BIIVOSGPSA-N -1 0 348.281 2.037 20 5 EEBDRM O=C([O-])c1ccc(OCc2nc(-c3ccccn3)no2)c([N+](=O)[O-])c1 ZINC001602392529 1350509564 /nfs/dbraw/zinc/50/95/64/1350509564.db2.gz OHHPPCMLWFZCHZ-UHFFFAOYSA-N -1 0 342.267 2.317 20 5 EEBDRM Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cn1 ZINC001607727873 1351547529 /nfs/dbraw/zinc/54/75/29/1351547529.db2.gz HTAKJLORVACFFW-MRXNPFEDSA-N -1 0 329.312 2.028 20 5 EEBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]Cc1cccc(Cl)c1 ZINC001308993195 1331611769 /nfs/dbraw/zinc/61/17/69/1331611769.db2.gz RSBFQBFWDCQWRN-UHFFFAOYSA-N -1 0 327.749 2.122 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC001608673699 1351739360 /nfs/dbraw/zinc/73/93/60/1351739360.db2.gz HPJJDWFVDQOCRK-ZDUSSCGKSA-N -1 0 346.343 2.234 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001608696651 1351743997 /nfs/dbraw/zinc/74/39/97/1351743997.db2.gz NKMGKVLOBNADHB-JTQLQIEISA-N -1 0 341.751 2.126 20 5 EEBDRM O=C([O-])Cc1csc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001608791917 1351765189 /nfs/dbraw/zinc/76/51/89/1351765189.db2.gz GLRCRKAMPHTLIA-NEPJUHHUSA-N -1 0 347.352 2.421 20 5 EEBDRM O=C([O-])[C@]12CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]1COCC2 ZINC001608817983 1351770956 /nfs/dbraw/zinc/77/09/56/1351770956.db2.gz RJJUTNSLIWSNHD-YVEFUNNKSA-N -1 0 343.339 2.071 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCC2=O)cc([N+](=O)[O-])c1 ZINC001608835677 1351775003 /nfs/dbraw/zinc/77/50/03/1351775003.db2.gz ROFVCZZOMNACKC-KBPBESRZSA-N -1 0 346.339 2.267 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cnc3ccccn23)cc([N+](=O)[O-])c1 ZINC001608838048 1351775663 /nfs/dbraw/zinc/77/56/63/1351775663.db2.gz OTBTUBHDRACHJU-UHFFFAOYSA-N -1 0 326.268 2.193 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cc(C(F)(F)F)on2)n1 ZINC001608915324 1351793418 /nfs/dbraw/zinc/79/34/18/1351793418.db2.gz PAWLMGKMQXZBGF-UHFFFAOYSA-N -1 0 332.194 2.307 20 5 EEBDRM O=C([O-])C1(COC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001609017226 1351815554 /nfs/dbraw/zinc/81/55/54/1351815554.db2.gz CAZSGYPUMPNRIQ-UHFFFAOYSA-N -1 0 344.117 2.379 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cc1OC ZINC001320946510 1332984986 /nfs/dbraw/zinc/98/49/86/1332984986.db2.gz HGYLLVHPVOAPIO-UHFFFAOYSA-N -1 0 344.370 2.474 20 5 EEBDRM CC(C)(C(=O)NCCCCC(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001609647839 1352049636 /nfs/dbraw/zinc/04/96/36/1352049636.db2.gz YJJCMBUFOBMKHX-UHFFFAOYSA-N -1 0 326.324 2.383 20 5 EEBDRM CC(C)(CCC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)[N+](=O)[O-] ZINC001609673826 1352055805 /nfs/dbraw/zinc/05/58/05/1352055805.db2.gz JXSJVUQZLSPBKA-UHFFFAOYSA-N -1 0 327.362 2.493 20 5 EEBDRM CCN(CCSC)c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001338561949 1336877051 /nfs/dbraw/zinc/87/70/51/1336877051.db2.gz RRXXNXCRLFLMEK-UHFFFAOYSA-N -1 0 337.405 2.285 20 5 EEBDRM CCCc1n[nH]c(C(=O)NCC2(C(=O)[O-])CCCCC2)c1[N+](=O)[O-] ZINC001609981280 1352133802 /nfs/dbraw/zinc/13/38/02/1352133802.db2.gz ABGUWYXJEGRFSH-UHFFFAOYSA-N -1 0 338.364 2.035 20 5 EEBDRM CCOc1cc(NC(=O)C2(C(=O)[O-])CC2)c([N+](=O)[O-])cc1OCC ZINC001610040820 1352148266 /nfs/dbraw/zinc/14/82/66/1352148266.db2.gz GJLQCDDUKYVPFR-UHFFFAOYSA-N -1 0 338.316 2.196 20 5 EEBDRM CO[C@@H](C)[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001610225036 1352189739 /nfs/dbraw/zinc/18/97/39/1352189739.db2.gz HRSPIGWCQCZTAR-BDAKNGLRSA-N -1 0 325.321 2.146 20 5 EEBDRM CCCC(CCC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892365 1338365866 /nfs/dbraw/zinc/36/58/66/1338365866.db2.gz ABVYFUHXXBWCNE-UHFFFAOYSA-N -1 0 329.378 2.011 20 5 EEBDRM C[C@H]1CSCCN1c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001355661771 1338740643 /nfs/dbraw/zinc/74/06/43/1338740643.db2.gz OJZNCHYDVMEAQI-VIFPVBQESA-N -1 0 335.389 2.038 20 5 EEBDRM Cc1c(NCC(=O)N2CCCC[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610426298 1352220738 /nfs/dbraw/zinc/22/07/38/1352220738.db2.gz KNZXJWTUGJBJIA-SNVBAGLBSA-N -1 0 335.360 2.414 20 5 EEBDRM Cc1cc(=O)[nH]c(C=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001610475538 1352229128 /nfs/dbraw/zinc/22/91/28/1352229128.db2.gz ARTCTFPVFIKYEZ-HYXAFXHYSA-N -1 0 331.284 2.033 20 5 EEBDRM Cc1sc(C(=O)[O-])cc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001610589958 1352250290 /nfs/dbraw/zinc/25/02/90/1352250290.db2.gz MJVXMQLYBYTUCR-UHFFFAOYSA-N -1 0 338.345 2.233 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@H]2c3ccccc3C[C@@H]2O)c([N+](=O)[O-])c1 ZINC001610792418 1352275463 /nfs/dbraw/zinc/27/54/63/1352275463.db2.gz HREKZDQCOCSABY-RDJZCZTQSA-N -1 0 328.324 2.292 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCCCc2ccncc2)cc([N+](=O)[O-])c1 ZINC001610810363 1352278944 /nfs/dbraw/zinc/27/89/44/1352278944.db2.gz GZPCLAOIMCOSCV-UHFFFAOYSA-N -1 0 330.296 2.478 20 5 EEBDRM O=C([O-])c1ccnc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001610854859 1352286203 /nfs/dbraw/zinc/28/62/03/1352286203.db2.gz REAJOFPTTCITIJ-UHFFFAOYSA-N -1 0 343.339 2.441 20 5 EEBDRM CC(C)(CC(=O)[O-])NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001588757725 1348932042 /nfs/dbraw/zinc/93/20/42/1348932042.db2.gz HKIMMBPQTSWHLI-UHFFFAOYSA-N -1 0 331.328 2.313 20 5 EEBDRM COC(=O)C1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCCCC1 ZINC001598726602 1349941700 /nfs/dbraw/zinc/94/17/00/1349941700.db2.gz GDESTZXZVDHQEJ-UHFFFAOYSA-N -1 0 337.332 2.223 20 5 EEBDRM Cc1c(Cc2noc(CCSCC(=O)[O-])n2)cccc1[N+](=O)[O-] ZINC001600012826 1349955603 /nfs/dbraw/zinc/95/56/03/1349955603.db2.gz HHEUJNHESRTZMJ-UHFFFAOYSA-N -1 0 337.357 2.237 20 5 EEBDRM Cc1c(NC(=O)N(C)[C@@H]2CCCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600034264 1349958976 /nfs/dbraw/zinc/95/89/76/1349958976.db2.gz GUYGBGZBFPLQNI-LLVKDONJSA-N -1 0 337.332 2.244 20 5 EEBDRM Cc1cc(C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)ccc1[N+](=O)[O-] ZINC001600091461 1349969530 /nfs/dbraw/zinc/96/95/30/1349969530.db2.gz WDTHIAWTTRBKID-UIORMTCPSA-N -1 0 348.355 2.045 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCC(=O)OC(C)(C)C)n1 ZINC001600107605 1349972762 /nfs/dbraw/zinc/97/27/62/1349972762.db2.gz YYUWROAQGUDAAL-UHFFFAOYSA-N -1 0 325.321 2.140 20 5 EEBDRM Cc1cc(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)oc1C(=O)[O-] ZINC001600288620 1350012098 /nfs/dbraw/zinc/01/20/98/1350012098.db2.gz YRCHQBMYPAKPAE-UHFFFAOYSA-N -1 0 348.311 2.198 20 5 EEBDRM Cc1cc(OCC(=O)Nc2cnc(C)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001600289613 1350012250 /nfs/dbraw/zinc/01/22/50/1350012250.db2.gz NSRMVTVUEFLSNA-UHFFFAOYSA-N -1 0 345.311 2.322 20 5 EEBDRM Cc1cc(OCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001600288467 1350012306 /nfs/dbraw/zinc/01/23/06/1350012306.db2.gz NNTDYLVOBCEPPP-WCQYABFASA-N -1 0 336.344 2.042 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC001600487753 1350063474 /nfs/dbraw/zinc/06/34/74/1350063474.db2.gz QXRMFSLNVROMOX-AWEZNQCLSA-N -1 0 330.296 2.165 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1occc1C(=O)[O-] ZINC001600489556 1350063691 /nfs/dbraw/zinc/06/36/91/1350063691.db2.gz TUTHVMXDNBZSKU-UHFFFAOYSA-N -1 0 325.298 2.168 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001600748134 1350127325 /nfs/dbraw/zinc/12/73/25/1350127325.db2.gz AOGOFKJQCMVKNR-UHFFFAOYSA-N -1 0 327.296 2.199 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001601214799 1350233240 /nfs/dbraw/zinc/23/32/40/1350233240.db2.gz QUIWRGPKPDDWTI-UHFFFAOYSA-N -1 0 341.323 2.468 20 5 EEBDRM O=C([O-])C1(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC2(CCC2)C1 ZINC001601332009 1350259598 /nfs/dbraw/zinc/25/95/98/1350259598.db2.gz UGLQKSMHZUCXOY-UHFFFAOYSA-N -1 0 347.323 2.356 20 5 EEBDRM O=C([O-])[C@@H](CCF)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001601415100 1350279689 /nfs/dbraw/zinc/27/96/89/1350279689.db2.gz VLXJOPFKWKUMBC-SECBINFHSA-N -1 0 338.213 2.156 20 5 EEBDRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1CCOC1 ZINC001601655365 1350329760 /nfs/dbraw/zinc/32/97/60/1350329760.db2.gz MWGCDRRJVIYCAE-CMPLNLGQSA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCOC1 ZINC001601655507 1350329765 /nfs/dbraw/zinc/32/97/65/1350329765.db2.gz MYZJLBSTCACXRM-VXNVDRBHSA-N -1 0 349.265 2.158 20 5 EEBDRM O=C([O-])C12CC(C1)CN2c1ccc(Br)cc1[N+](=O)[O-] ZINC001601730577 1350349973 /nfs/dbraw/zinc/34/99/73/1350349973.db2.gz JDMCYBPVNANUPD-UHFFFAOYSA-N -1 0 327.134 2.411 20 5 EEBDRM O=C([O-])[C@H]1[C@@H](O)CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001601750549 1350355859 /nfs/dbraw/zinc/35/58/59/1350355859.db2.gz DRHLBJMQGKFOGS-GOEBONIOSA-N -1 0 346.339 2.265 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001601903466 1350393911 /nfs/dbraw/zinc/39/39/11/1350393911.db2.gz SOHFUZKNBDRTTG-OUAUKWLOSA-N -1 0 346.261 2.003 20 5 EEBDRM O=C([O-])C[C@H]1CCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601949382 1350403986 /nfs/dbraw/zinc/40/39/86/1350403986.db2.gz RXDSIMIZZXGDJI-SECBINFHSA-N -1 0 342.298 2.271 20 5 EEBDRM O=C([O-])Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001602125484 1350445204 /nfs/dbraw/zinc/44/52/04/1350445204.db2.gz GWADQJKRQTYEIL-UHFFFAOYSA-N -1 0 334.259 2.319 20 5 EEBDRM O=C([O-])c1cc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cs1 ZINC001602268578 1350482182 /nfs/dbraw/zinc/48/21/82/1350482182.db2.gz OZVDXEJIAMMTDD-UHFFFAOYSA-N -1 0 331.309 2.113 20 5 EEBDRM O=C([O-])c1cc(OC[C@@H]2CC3(CO2)CCOCC3)ccc1[N+](=O)[O-] ZINC001602288239 1350486225 /nfs/dbraw/zinc/48/62/25/1350486225.db2.gz NEHNFAFCKFYIIS-LBPRGKRZSA-N -1 0 337.328 2.258 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC([C@@H]2CCOC2)C1 ZINC001602299967 1350488227 /nfs/dbraw/zinc/48/82/27/1350488227.db2.gz VQVXSYAZLBNMDW-MRVPVSSYSA-N -1 0 326.736 2.419 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC[C@@H]1CCOC1 ZINC001602300119 1350488369 /nfs/dbraw/zinc/48/83/69/1350488369.db2.gz QWKNVGIPASLULB-MRVPVSSYSA-N -1 0 325.277 2.040 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC001602403227 1350511549 /nfs/dbraw/zinc/51/15/49/1350511549.db2.gz BTCWIRPUZBPAMU-VXGBXAGGSA-N -1 0 348.277 2.181 20 5 EEBDRM O=C([O-])c1ccc2[nH]c(CNC(=O)c3csc([N+](=O)[O-])c3)nc2c1 ZINC001602409063 1350512829 /nfs/dbraw/zinc/51/28/29/1350512829.db2.gz SKMBRIKQXMCISV-UHFFFAOYSA-N -1 0 346.324 2.161 20 5 EEBDRM O=C([O-])c1ccccc1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC001602470754 1350527035 /nfs/dbraw/zinc/52/70/35/1350527035.db2.gz HMKBTYGILFLGEQ-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM O=C([O-])c1coc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1 ZINC001602647870 1350565490 /nfs/dbraw/zinc/56/54/90/1350565490.db2.gz UFWUKKAFRIUZIQ-UHFFFAOYSA-N -1 0 331.284 2.383 20 5 EEBDRM O=C([O-])c1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)o1 ZINC001602661476 1350567822 /nfs/dbraw/zinc/56/78/22/1350567822.db2.gz QYVFFCJZSBGERR-YRNVUSSQSA-N -1 0 328.236 2.231 20 5 EEBDRM CCn1nc(C)c(Nc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])c1C ZINC001604617651 1350971316 /nfs/dbraw/zinc/97/13/16/1350971316.db2.gz QWEBZEVSFPZIKR-UHFFFAOYSA-N -1 0 334.365 2.413 20 5 EEBDRM CCCC(=O)NC1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001605190825 1351099843 /nfs/dbraw/zinc/09/98/43/1351099843.db2.gz KGKFNXSOOJVWKP-UHFFFAOYSA-N -1 0 349.387 2.107 20 5 EEBDRM CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1ncc(C(=O)[O-])s1 ZINC001605402607 1351154066 /nfs/dbraw/zinc/15/40/66/1351154066.db2.gz WRQAWJIHSOKSRW-UHFFFAOYSA-N -1 0 327.343 2.478 20 5 EEBDRM CCNc1ccc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC001605501622 1351173198 /nfs/dbraw/zinc/17/31/98/1351173198.db2.gz UNRHLWRMSVHRIC-SECBINFHSA-N -1 0 349.265 2.162 20 5 EEBDRM COC(=O)c1ccccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001606618303 1351332837 /nfs/dbraw/zinc/33/28/37/1351332837.db2.gz RMLIRPRVUKQMPL-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM COc1cc(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc([N+](=O)[O-])c1C ZINC001607085088 1351411803 /nfs/dbraw/zinc/41/18/03/1351411803.db2.gz MQLVHIFGRFYTHY-MGAJPHDKSA-N -1 0 348.355 2.141 20 5 EEBDRM CSCC[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)[O-] ZINC001607398419 1351487406 /nfs/dbraw/zinc/48/74/06/1351487406.db2.gz HVLCUXXUEIGBQB-NSHDSACASA-N -1 0 338.341 2.439 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@]1(C)C(=O)[O-] ZINC001607475077 1351499698 /nfs/dbraw/zinc/49/96/98/1351499698.db2.gz PUEACPQPZPZCEG-WJWGPLDTSA-N -1 0 341.751 2.013 20 5 EEBDRM Cc1c(CC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cccc1[N+](=O)[O-] ZINC001607527152 1351511015 /nfs/dbraw/zinc/51/10/15/1351511015.db2.gz VEPRJNIESBPDBH-CQSZACIVSA-N -1 0 334.353 2.449 20 5 EEBDRM Cc1cc(N2CCO[C@@H](COC(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607668725 1351536436 /nfs/dbraw/zinc/53/64/36/1351536436.db2.gz FYVQUMCSMMMHGJ-CYBMUJFWSA-N -1 0 338.360 2.232 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001608273235 1351660744 /nfs/dbraw/zinc/66/07/44/1351660744.db2.gz IBMBQITYKKNHCM-CQSZACIVSA-N -1 0 347.302 2.262 20 5 EEBDRM Nn1c(Sc2cc(C(=O)[O-])ccc2[N+](=O)[O-])nnc1-c1ccco1 ZINC001608277410 1351661850 /nfs/dbraw/zinc/66/18/50/1351661850.db2.gz JHBNJDNGZCQWIP-UHFFFAOYSA-N -1 0 347.312 2.010 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)on1 ZINC001608363951 1351679354 /nfs/dbraw/zinc/67/93/54/1351679354.db2.gz PAVZGGSVLGAIEZ-UHFFFAOYSA-N -1 0 325.664 2.116 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000014257101 1369546997 /nfs/dbraw/zinc/54/69/97/1369546997.db2.gz IMEIZYNQRAYKRM-UHFFFAOYSA-N -1 0 330.753 2.265 20 5 EEBDRM CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C(C)C ZINC000839077417 1372890783 /nfs/dbraw/zinc/89/07/83/1372890783.db2.gz QBJWSGIBBZNNFK-UHFFFAOYSA-N -1 0 343.405 2.268 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(Cl)cc1 ZINC000112160937 775442283 /nfs/dbraw/zinc/44/22/83/775442283.db2.gz QEIJMLUZJONBFA-UHFFFAOYSA-N -1 0 346.773 2.428 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)nn1C ZINC000817352397 784692290 /nfs/dbraw/zinc/69/22/90/784692290.db2.gz HMAQZUSPTSGRDK-UHFFFAOYSA-N -1 0 338.389 2.254 20 5 EEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C(CC)CC ZINC000821603373 786817929 /nfs/dbraw/zinc/81/79/29/786817929.db2.gz VMOMAWKLPZFZTI-UHFFFAOYSA-N -1 0 343.405 2.268 20 5 EEBDRM Cc1ccc(N2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000844206392 788926373 /nfs/dbraw/zinc/92/63/73/788926373.db2.gz ICPYGYWAMQZWRX-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC(O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000844207248 788926433 /nfs/dbraw/zinc/92/64/33/788926433.db2.gz DXDYFMCJQSHESO-UHFFFAOYSA-N -1 0 348.277 2.116 20 5 EEBDRM O=C([O-])c1cnc(NC[C@H]2COC3(CCCCC3)O2)c([N+](=O)[O-])c1 ZINC000844210758 788928374 /nfs/dbraw/zinc/92/83/74/788928374.db2.gz GUXLRMUYBNHKGO-NSHDSACASA-N -1 0 337.332 2.176 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@]2(O)CCc3ccccc32)n1 ZINC000844211927 788930055 /nfs/dbraw/zinc/93/00/55/788930055.db2.gz LGSWCMGLDCKEGO-KRWDZBQOSA-N -1 0 343.339 2.242 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H](O)c1ccc(F)cc1 ZINC000154156728 797868239 /nfs/dbraw/zinc/86/82/39/797868239.db2.gz LKIZIANBGFVPMN-XPTSAGLGSA-N -1 0 334.303 2.291 20 5 EEBDRM COC(=O)c1ccc(N)c(N(C)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176679551 798526059 /nfs/dbraw/zinc/52/60/59/798526059.db2.gz MOFKJLCNFFJYLA-UHFFFAOYSA-N -1 0 345.311 2.430 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc2c1COC2=O ZINC000808128199 812448319 /nfs/dbraw/zinc/44/83/19/812448319.db2.gz JLCFAMRWQDOPOA-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cnc(C(=O)[O-])cn2)n1 ZINC001600304839 970795317 /nfs/dbraw/zinc/79/53/17/970795317.db2.gz OUTZIGJSTUZMMJ-UHFFFAOYSA-N -1 0 327.256 2.108 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001589302884 953701900 /nfs/dbraw/zinc/70/19/00/953701900.db2.gz LOQILAFLLQWYNC-VHSXEESVSA-N -1 0 331.328 2.401 20 5 EEBDRM C[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C(=O)[O-] ZINC001589348403 954068122 /nfs/dbraw/zinc/06/81/22/954068122.db2.gz SCWHENZDUZFWAF-ZANVPECISA-N -1 0 331.328 2.259 20 5 EEBDRM O=C([O-])C1CC2(C1)CC[C@H](CNc1nc3ccccn3c1[N+](=O)[O-])O2 ZINC001594906845 954683602 /nfs/dbraw/zinc/68/36/02/954683602.db2.gz DGDZDQICUYMWKW-NOEPWBJOSA-N -1 0 346.343 2.067 20 5 EEBDRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ccsc3[N+](=O)[O-])C2)cn1 ZINC001594538425 955602089 /nfs/dbraw/zinc/60/20/89/955602089.db2.gz QBRPUHJFJBCIDU-NXEZZACHSA-N -1 0 336.373 2.085 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001589196135 956608630 /nfs/dbraw/zinc/60/86/30/956608630.db2.gz CWEHEKHDZHYETD-QGZVFWFLSA-N -1 0 343.339 2.267 20 5 EEBDRM CC[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001573804225 960840182 /nfs/dbraw/zinc/84/01/82/960840182.db2.gz NLVYZDRXCIBCRP-ZETCQYMHSA-N -1 0 345.149 2.198 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)nc1 ZINC001574524767 961872825 /nfs/dbraw/zinc/87/28/25/961872825.db2.gz YYWMLEAWFFJCCM-UHFFFAOYSA-N -1 0 343.295 2.290 20 5 EEBDRM O=C([O-])CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC1 ZINC001574711353 962716854 /nfs/dbraw/zinc/71/68/54/962716854.db2.gz XPWKJLQHCSWHNT-UHFFFAOYSA-N -1 0 344.270 2.276 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001574226151 962976270 /nfs/dbraw/zinc/97/62/70/962976270.db2.gz OCROMOGUKXGBQJ-HYXAFXHYSA-N -1 0 346.295 2.224 20 5 EEBDRM O=C([O-])c1cc(OC[C@H](O)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000302059880 963067826 /nfs/dbraw/zinc/06/78/26/963067826.db2.gz JIEFMEYWRBCWPI-CYBMUJFWSA-N -1 0 347.323 2.250 20 5 EEBDRM O=C([O-])/C=C\c1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)co1 ZINC001606063034 973186715 /nfs/dbraw/zinc/18/67/15/973186715.db2.gz LQHUBFRXEVOORT-WAYWQWQTSA-N -1 0 330.296 2.258 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001605654817 974040254 /nfs/dbraw/zinc/04/02/54/974040254.db2.gz RWMOXHHVRRFKDO-SECBINFHSA-N -1 0 339.323 2.033 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)ccc1[N+](=O)[O-] ZINC001591751817 975810209 /nfs/dbraw/zinc/81/02/09/975810209.db2.gz HPZCVTPNVNPVSH-PWSUYJOCSA-N -1 0 336.344 2.317 20 5 EEBDRM CC(C)n1ccc(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC001592133538 976978260 /nfs/dbraw/zinc/97/82/60/976978260.db2.gz ZXFRFPDSZFISQR-UHFFFAOYSA-N -1 0 333.300 2.427 20 5 EEBDRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001592199555 977188781 /nfs/dbraw/zinc/18/87/81/977188781.db2.gz BMVCOARIEKVMBP-TYWZFMJISA-N -1 0 343.133 2.116 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000799243896 978837580 /nfs/dbraw/zinc/83/75/80/978837580.db2.gz UJPJHCBXYXWTSR-INIZCTEOSA-N -1 0 346.343 2.154 20 5 EEBDRM C[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001592728189 979235416 /nfs/dbraw/zinc/23/54/16/979235416.db2.gz CHRNUZZMGLXUEZ-QMMMGPOBSA-N -1 0 325.321 2.078 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000864200410 979877430 /nfs/dbraw/zinc/87/74/30/979877430.db2.gz XRKPWCNKZKQHPB-QGZVFWFLSA-N -1 0 345.355 2.378 20 5 EEBDRM CC[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](C)C(=O)[O-] ZINC001595349124 980651882 /nfs/dbraw/zinc/65/18/82/980651882.db2.gz QWHQPQPADFIAAR-LDYMZIIASA-N -1 0 339.300 2.022 20 5 EEBDRM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C[C@@H](C)[S@]1=O ZINC001595492758 981255186 /nfs/dbraw/zinc/25/51/86/981255186.db2.gz UVUCASXMHDVZLF-GVTMCDLGSA-N -1 0 340.401 2.337 20 5 EEBDRM CCCc1nccnc1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001596088436 983408501 /nfs/dbraw/zinc/40/85/01/983408501.db2.gz GIDAONMFZJRIQZ-UHFFFAOYSA-N -1 0 346.343 2.413 20 5 EEBDRM CCN(CC(=O)[O-])C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001596219488 983610647 /nfs/dbraw/zinc/61/06/47/983610647.db2.gz WYWYEFRGDYUMKQ-UHFFFAOYSA-N -1 0 345.149 2.212 20 5 EEBDRM CCN(CC(=O)[O-])C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001596221392 983612250 /nfs/dbraw/zinc/61/22/50/983612250.db2.gz KSNRBUCGVWSAGR-UHFFFAOYSA-N -1 0 329.312 2.204 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCC1(F)F ZINC001594490302 985602586 /nfs/dbraw/zinc/60/25/86/985602586.db2.gz ZMVRDRSGLLIARQ-QMMMGPOBSA-N -1 0 328.271 2.410 20 5 EEBDRM C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC001594583266 986448245 /nfs/dbraw/zinc/44/82/45/986448245.db2.gz FPVWIHPRGGHGPO-XVKPBYJWSA-N -1 0 349.265 2.234 20 5 EEBDRM CS[C@H](CO)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599786508 987931675 /nfs/dbraw/zinc/93/16/75/987931675.db2.gz CSLKZZXOFCGTLI-HZGVNTEJSA-N -1 0 334.781 2.471 20 5 EEBDRM CC(C)[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCO1 ZINC001591093445 991658704 /nfs/dbraw/zinc/65/87/04/991658704.db2.gz UWUYDXXVRLDKAB-CQSZACIVSA-N -1 0 336.344 2.180 20 5 EEBDRM CN(CCC(=O)OC(C)(C)C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598471960 992040094 /nfs/dbraw/zinc/04/00/94/992040094.db2.gz HJTHYAPXMRLKHQ-UHFFFAOYSA-N -1 0 338.360 2.390 20 5 EEBDRM CC(C)COC(=O)N(C)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001591383808 992428271 /nfs/dbraw/zinc/42/82/71/992428271.db2.gz QNBWFINWVYPBNW-UHFFFAOYSA-N -1 0 326.305 2.354 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001598502517 992453011 /nfs/dbraw/zinc/45/30/11/992453011.db2.gz ZJMOLXSSQNWCRC-UHFFFAOYSA-N -1 0 329.312 2.003 20 5 EEBDRM COc1ccc(OC(=O)Cc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001599599754 993798411 /nfs/dbraw/zinc/79/84/11/993798411.db2.gz PWOGJWXASUBDGV-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM C[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1cccc([N+](=O)[O-])c1 ZINC001593140905 993925933 /nfs/dbraw/zinc/92/59/33/993925933.db2.gz APMBZQSJOYWLSI-DDTOSNHZSA-N -1 0 336.344 2.184 20 5 EEBDRM COC(=O)[C@]1(C)CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001598717593 995432349 /nfs/dbraw/zinc/43/23/49/995432349.db2.gz DIKPOOKLQGETTL-CQSZACIVSA-N -1 0 342.735 2.336 20 5 EEBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])co1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001593556467 995643062 /nfs/dbraw/zinc/64/30/62/995643062.db2.gz MBLXFUJBTHVULF-MRVPVSSYSA-N -1 0 348.267 2.070 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001593765206 996440528 /nfs/dbraw/zinc/44/05/28/996440528.db2.gz PEUVKJNTQFNWIX-ZQIUZPCESA-N -1 0 332.356 2.412 20 5 EEBDRM COC(=O)CC[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598850839 996602077 /nfs/dbraw/zinc/60/20/77/996602077.db2.gz OMVVFTWVTVCGQZ-NSHDSACASA-N -1 0 336.344 2.463 20 5 EEBDRM COC(=O)c1cc(OCc2cccnc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001598951851 998167935 /nfs/dbraw/zinc/16/79/35/998167935.db2.gz MXRSNADFIPENST-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001599462132 998291791 /nfs/dbraw/zinc/29/17/91/998291791.db2.gz KGCOQXREZZPUMZ-HNNXBMFYSA-N -1 0 345.307 2.456 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001594152834 998543879 /nfs/dbraw/zinc/54/38/79/998543879.db2.gz JQEGWEZDTDQPTQ-KCJUWKMLSA-N -1 0 341.751 2.253 20 5 EEBDRM O=C([O-])CCC(=O)COc1ccc([N+](=O)[O-])cc1Br ZINC001601970511 1118765850 /nfs/dbraw/zinc/76/58/50/1118765850.db2.gz XIYJXZOGYIEEAJ-UHFFFAOYSA-N -1 0 332.106 2.170 20 5 EEBDRM CCC(CC)(CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000424384604 282120354 /nfs/dbraw/zinc/12/03/54/282120354.db2.gz BZALLWREPUADNC-UHFFFAOYSA-N -1 0 344.389 2.073 20 5 EEBDRM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184772759 304000435 /nfs/dbraw/zinc/00/04/35/304000435.db2.gz WKMQCJDWIAULDO-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM O=C(NCc1ccc(OC(F)F)cn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000447185926 242252698 /nfs/dbraw/zinc/25/26/98/242252698.db2.gz SZAOROWBMOEUOH-UHFFFAOYSA-N -1 0 339.254 2.227 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC000263430062 296104981 /nfs/dbraw/zinc/10/49/81/296104981.db2.gz KLKQEZURXPNBIL-GHMZBOCLSA-N -1 0 335.360 2.034 20 5 EEBDRM O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000456337400 244220355 /nfs/dbraw/zinc/22/03/55/244220355.db2.gz WVIQGANRRSONLE-WBMJQRKESA-N -1 0 343.339 2.346 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000458384035 244807131 /nfs/dbraw/zinc/80/71/31/244807131.db2.gz HVJUXHYFSXJETK-JTQLQIEISA-N -1 0 338.360 2.350 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)CC2 ZINC000262474919 244993887 /nfs/dbraw/zinc/99/38/87/244993887.db2.gz STTYSBNZQDRPML-NSHDSACASA-N -1 0 343.339 2.403 20 5 EEBDRM C[C@H](CN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262527844 245019077 /nfs/dbraw/zinc/01/90/77/245019077.db2.gz OBECXIHMAVBSCE-NXEZZACHSA-N -1 0 326.374 2.255 20 5 EEBDRM C[C@@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCCC[C@@H]1C(=O)[O-] ZINC000262790459 245181542 /nfs/dbraw/zinc/18/15/42/245181542.db2.gz NCLCBEQLTCFSQE-CZUORRHYSA-N -1 0 336.344 2.123 20 5 EEBDRM C[C@]1(NC(=O)CNc2ccccc2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-] ZINC000262807875 245189130 /nfs/dbraw/zinc/18/91/30/245189130.db2.gz OTQNSNCDTMPDCY-ZBEGNZNMSA-N -1 0 335.360 2.156 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000263430066 245416283 /nfs/dbraw/zinc/41/62/83/245416283.db2.gz KLKQEZURXPNBIL-MNOVXSKESA-N -1 0 335.360 2.034 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000261790412 304191827 /nfs/dbraw/zinc/19/18/27/304191827.db2.gz KHYNOJAQIRRHQP-ZETCQYMHSA-N -1 0 332.234 2.160 20 5 EEBDRM C[C@@H]1CCCN(c2ccc(C(=O)NCCCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000362431610 296400814 /nfs/dbraw/zinc/40/08/14/296400814.db2.gz WXZOMRCWDBAFOD-GFCCVEGCSA-N -1 0 349.387 2.426 20 5 EEBDRM O=C(CN1CCSC1=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000273588817 256309349 /nfs/dbraw/zinc/30/93/49/256309349.db2.gz LCQFCPIEIXLVQU-UHFFFAOYSA-N -1 0 331.737 2.061 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)OC(C)C ZINC000273422229 256295090 /nfs/dbraw/zinc/29/50/90/256295090.db2.gz JYVGEEBQMCDDFG-LBPRGKRZSA-N -1 0 338.360 2.397 20 5 EEBDRM COC1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000416268457 292099037 /nfs/dbraw/zinc/09/90/37/292099037.db2.gz ITBYDBOYDPPWEI-UHFFFAOYSA-N -1 0 348.277 2.484 20 5 EEBDRM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119056749 292240313 /nfs/dbraw/zinc/24/03/13/292240313.db2.gz SDVQPKLZSAQRDU-UHFFFAOYSA-N -1 0 327.296 2.437 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000263104827 152376236 /nfs/dbraw/zinc/37/62/36/152376236.db2.gz BGVVJVSPSKHMSK-STQMWFEESA-N -1 0 349.387 2.356 20 5 EEBDRM C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000263185450 152397037 /nfs/dbraw/zinc/39/70/37/152397037.db2.gz KRIMHRZIRRJWJQ-SSDOTTSWSA-N -1 0 345.149 2.150 20 5 EEBDRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000355996981 153237029 /nfs/dbraw/zinc/23/70/29/153237029.db2.gz IZTMLMLQLUZNFM-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(Cc2ccccc2)CC1 ZINC000130276234 292370790 /nfs/dbraw/zinc/37/07/90/292370790.db2.gz IGNSSURYRHXQMK-UHFFFAOYSA-N -1 0 341.367 2.258 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085099 159160489 /nfs/dbraw/zinc/16/04/89/159160489.db2.gz DIZDIAYMOHHOEP-LBPRGKRZSA-N -1 0 347.352 2.408 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000119198778 159374217 /nfs/dbraw/zinc/37/42/17/159374217.db2.gz IPTXRYGUOOSZJY-RISCZKNCSA-N -1 0 330.344 2.220 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1ccccc1F ZINC000123658554 222312088 /nfs/dbraw/zinc/31/20/88/222312088.db2.gz IXXADIKVWVCMAJ-UHFFFAOYSA-N -1 0 328.296 2.352 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC000275054259 269089581 /nfs/dbraw/zinc/08/95/81/269089581.db2.gz SVXSXQSDQXFWPF-GFCCVEGCSA-N -1 0 344.389 2.071 20 5 EEBDRM Cc1cc(S(=O)(=O)NC(C)(C)C[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000275139286 269097559 /nfs/dbraw/zinc/09/75/59/269097559.db2.gz JWRHNVPUMYZBEV-SNVBAGLBSA-N -1 0 344.389 2.071 20 5 EEBDRM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000275206440 274227152 /nfs/dbraw/zinc/22/71/52/274227152.db2.gz ZJWFGSZDJUVGDX-SKDRFNHKSA-N -1 0 344.389 2.023 20 5 EEBDRM O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000288399281 275054364 /nfs/dbraw/zinc/05/43/64/275054364.db2.gz BIQNJWAELWKMDS-JTQLQIEISA-N -1 0 347.293 2.057 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000292468389 275433315 /nfs/dbraw/zinc/43/33/15/275433315.db2.gz HHWUZZZLEIMQFY-LSDHHAIUSA-N -1 0 332.356 2.474 20 5 EEBDRM CN(Cc1nccn1C(F)F)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031153121 289774384 /nfs/dbraw/zinc/77/43/84/289774384.db2.gz OMRGUZVCSBHWQR-UHFFFAOYSA-N -1 0 326.259 2.164 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000263126000 300406473 /nfs/dbraw/zinc/40/64/73/300406473.db2.gz CQRGZOKKFAIEJD-WCBMZHEXSA-N -1 0 326.736 2.431 20 5 EEBDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccsc1 ZINC000159397481 311340762 /nfs/dbraw/zinc/34/07/62/311340762.db2.gz JJLISOXFZSABMQ-ZZXKWVIFSA-N -1 0 338.366 2.175 20 5 EEBDRM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000332455975 312010218 /nfs/dbraw/zinc/01/02/18/312010218.db2.gz NPTDKNGIXACBDI-FZMZJTMJSA-N -1 0 346.380 2.216 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCC(=O)[O-] ZINC000417804751 313602528 /nfs/dbraw/zinc/60/25/28/313602528.db2.gz ZJQPROWYSZOAEP-UHFFFAOYSA-N -1 0 325.321 2.322 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@]3(CCCOC3)C2)cc([N+](=O)[O-])c1 ZINC000432107976 314678914 /nfs/dbraw/zinc/67/89/14/314678914.db2.gz NYCAPIPTNNJYLX-QGZVFWFLSA-N -1 0 348.355 2.326 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCOc2ccc(F)cc2C1 ZINC000436829709 315003129 /nfs/dbraw/zinc/00/31/29/315003129.db2.gz MKUXRQNDKCCIKK-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(NC(N)=O)cc1 ZINC000436868832 315007879 /nfs/dbraw/zinc/00/78/79/315007879.db2.gz KPBRZMIBRLUBKO-VIFPVBQESA-N -1 0 344.327 2.282 20 5 EEBDRM O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436967620 315018260 /nfs/dbraw/zinc/01/82/60/315018260.db2.gz QRHDUESUTIFBHA-GFCCVEGCSA-N -1 0 348.330 2.021 20 5 EEBDRM Cn1c(=O)[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc21 ZINC000443174703 315232602 /nfs/dbraw/zinc/23/26/02/315232602.db2.gz NOEOHYYXKUAPOF-UHFFFAOYSA-N -1 0 328.284 2.145 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ncccc2C(C)C)c([N+](=O)[O-])n1 ZINC000443426950 315246498 /nfs/dbraw/zinc/24/64/98/315246498.db2.gz LIKQRNZGPSGTTJ-UHFFFAOYSA-N -1 0 339.377 2.130 20 5 EEBDRM COc1ccc2c(c1)CN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])CC2 ZINC000516296149 316551339 /nfs/dbraw/zinc/55/13/39/316551339.db2.gz CVQSELDTFCSJAB-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000533195064 317902846 /nfs/dbraw/zinc/90/28/46/317902846.db2.gz VLHWXTFEUSLVBO-UHFFFAOYSA-N -1 0 344.279 2.203 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000540704347 318077154 /nfs/dbraw/zinc/07/71/54/318077154.db2.gz YFXAFQFHBUMVSE-PSLIRLAXSA-N -1 0 338.385 2.445 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000540777429 318077965 /nfs/dbraw/zinc/07/79/65/318077965.db2.gz RLQRCMHSRIOBPW-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000547922546 318334122 /nfs/dbraw/zinc/33/41/22/318334122.db2.gz GCPFDLUDHUCQGC-GXFFZTMASA-N -1 0 344.389 2.023 20 5 EEBDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000548595943 318397366 /nfs/dbraw/zinc/39/73/66/318397366.db2.gz CTDQTKOSFJSYAN-ZWNOBZJWSA-N -1 0 344.389 2.153 20 5 EEBDRM Cc1c(CNC(=O)N([C@H](C)C(=O)[O-])C2CCC2)cccc1[N+](=O)[O-] ZINC000565348748 319174598 /nfs/dbraw/zinc/17/45/98/319174598.db2.gz RKFMLFOHGBODRG-LLVKDONJSA-N -1 0 335.360 2.440 20 5 EEBDRM COC(=O)CC1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000567354680 319372458 /nfs/dbraw/zinc/37/24/58/319372458.db2.gz KOEIEEDBJHIOJO-UHFFFAOYSA-N -1 0 342.735 2.169 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567879118 319430084 /nfs/dbraw/zinc/43/00/84/319430084.db2.gz LFZHBNJLHYYPIK-KOLCDFICSA-N -1 0 337.332 2.178 20 5 EEBDRM Cc1cc(N2CC[C@@H](c3nccn3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568985549 319535978 /nfs/dbraw/zinc/53/59/78/319535978.db2.gz BIFQPQIJHWBEIT-LLVKDONJSA-N -1 0 330.344 2.329 20 5 EEBDRM COc1ccc2c(c1)OC[C@@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000574281026 320012284 /nfs/dbraw/zinc/01/22/84/320012284.db2.gz SYBBSQAVNAYPIJ-NSHDSACASA-N -1 0 345.311 2.112 20 5 EEBDRM COc1ccc(OCCN(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000574457223 320027423 /nfs/dbraw/zinc/02/74/23/320027423.db2.gz WDASVGUNUWOFQI-UHFFFAOYSA-N -1 0 347.327 2.212 20 5 EEBDRM CN(Cc1ccc2c(c1)OCCO2)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000576758458 320201739 /nfs/dbraw/zinc/20/17/39/320201739.db2.gz RKTORQFPKKATNP-UHFFFAOYSA-N -1 0 345.311 2.096 20 5 EEBDRM C[C@@H]1C[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000577376854 320252231 /nfs/dbraw/zinc/25/22/31/320252231.db2.gz OCISDRWJIDSWKM-RKDXNWHRSA-N -1 0 328.752 2.499 20 5 EEBDRM Cc1nn(C)c(C)c1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578133709 320296536 /nfs/dbraw/zinc/29/65/36/320296536.db2.gz RMQFYFFSQWJHHG-UHFFFAOYSA-N -1 0 338.751 2.234 20 5 EEBDRM O=C(NCc1noc(-c2cccs2)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000581978188 324352712 /nfs/dbraw/zinc/35/27/12/324352712.db2.gz IOXRQXCAMGPGMB-UHFFFAOYSA-N -1 0 346.324 2.342 20 5 EEBDRM COC(=O)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000339035556 465041546 /nfs/dbraw/zinc/04/15/46/465041546.db2.gz YCZSTTUOVLKNDF-INIZCTEOSA-N -1 0 346.339 2.313 20 5 EEBDRM O=C([O-])c1ccnc(NCCc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000327804240 465054757 /nfs/dbraw/zinc/05/47/57/465054757.db2.gz GMIQFUKNEKHOHM-UHFFFAOYSA-N -1 0 345.311 2.114 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000013261569 462888502 /nfs/dbraw/zinc/88/85/02/462888502.db2.gz VVGSMWONSVSJJJ-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM O=C([O-])Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000013275096 462889032 /nfs/dbraw/zinc/88/90/32/462889032.db2.gz WOAAZCCPNUIQMK-UHFFFAOYSA-N -1 0 330.296 2.239 20 5 EEBDRM COc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000013442930 462892458 /nfs/dbraw/zinc/89/24/58/462892458.db2.gz RAOZAGXYOVBJDL-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccn2)ccc1[N+](=O)[O-] ZINC000121393415 463127720 /nfs/dbraw/zinc/12/77/20/463127720.db2.gz ZQVAEQJKTASJBT-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM CCCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC000033403719 463420697 /nfs/dbraw/zinc/42/06/97/463420697.db2.gz DTKWPDCMESFCKJ-XQRVVYSFSA-N -1 0 347.327 2.352 20 5 EEBDRM CCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](CC)C(=O)OCC ZINC000276741859 463739563 /nfs/dbraw/zinc/73/95/63/463739563.db2.gz FABIYCQNZDXCCF-LBPRGKRZSA-N -1 0 338.360 2.494 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccnc1 ZINC000194160933 463805339 /nfs/dbraw/zinc/80/53/39/463805339.db2.gz ZVAQNZAPVFFIPM-VIFPVBQESA-N -1 0 325.321 2.168 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc(C3CC3)o2)c1C ZINC000194726501 463917036 /nfs/dbraw/zinc/91/70/36/463917036.db2.gz LCZXMKUTBJKGNJ-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(CC(C)C)o1 ZINC000194863382 463944700 /nfs/dbraw/zinc/94/47/00/463944700.db2.gz GDWYVCAUMGWOCX-UHFFFAOYSA-N -1 0 340.361 2.286 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC2)c(Br)c1 ZINC000269489854 463998702 /nfs/dbraw/zinc/99/87/02/463998702.db2.gz SGPFWKLTBCCAPV-UHFFFAOYSA-N -1 0 335.179 2.046 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000263431100 464104149 /nfs/dbraw/zinc/10/41/49/464104149.db2.gz KQQBHUOILJPSLX-CQSZACIVSA-N -1 0 326.736 2.256 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000263492176 464115834 /nfs/dbraw/zinc/11/58/34/464115834.db2.gz XAOXWTRDCJQWFF-RNFRBKRXSA-N -1 0 345.149 2.196 20 5 EEBDRM CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000271647782 464352134 /nfs/dbraw/zinc/35/21/34/464352134.db2.gz ZCZHYJYAGYQCRX-CYBMUJFWSA-N -1 0 335.360 2.276 20 5 EEBDRM CN(C)C(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000182089708 464569711 /nfs/dbraw/zinc/56/97/11/464569711.db2.gz ZBRYBPBXDNNYQZ-UHFFFAOYSA-N -1 0 347.302 2.394 20 5 EEBDRM O=c1[n-]nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)o1 ZINC000285747153 464681081 /nfs/dbraw/zinc/68/10/81/464681081.db2.gz ULQMGFGKXDKMJI-SNVBAGLBSA-N -1 0 341.327 2.203 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1cccnc1 ZINC000176333731 464751152 /nfs/dbraw/zinc/75/11/52/464751152.db2.gz XYECLCDIZPBHFZ-AWEZNQCLSA-N -1 0 330.344 2.260 20 5 EEBDRM CCOCCO[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000579843870 468423386 /nfs/dbraw/zinc/42/33/86/468423386.db2.gz YZMJGCZVPRKBPR-LBPRGKRZSA-N -1 0 338.360 2.233 20 5 EEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)s1 ZINC000253426593 465011466 /nfs/dbraw/zinc/01/14/66/465011466.db2.gz UDRQHTSJNXXQSP-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000357540433 466115215 /nfs/dbraw/zinc/11/52/15/466115215.db2.gz CSGDNKQXCIAOLY-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000354179729 466351492 /nfs/dbraw/zinc/35/14/92/466351492.db2.gz OSFQYONDAOIVQC-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM CCn1cc(S(=O)(=O)NCCC2=CCCCCC2)c([N+](=O)[O-])n1 ZINC000361974828 466451136 /nfs/dbraw/zinc/45/11/36/466451136.db2.gz UAQNOEPMYCANJF-UHFFFAOYSA-N -1 0 342.421 2.370 20 5 EEBDRM CC(C)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000322856865 466635510 /nfs/dbraw/zinc/63/55/10/466635510.db2.gz RXGHYNBEUYLWDC-LBPRGKRZSA-N -1 0 342.373 2.102 20 5 EEBDRM Cn1ccc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2c1=O ZINC000436728971 467552829 /nfs/dbraw/zinc/55/28/29/467552829.db2.gz FCANGWNSYUFEGG-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM CC(C)c1nnc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])s1 ZINC000436770721 467553560 /nfs/dbraw/zinc/55/35/60/467553560.db2.gz QBDUADSKARINFH-UHFFFAOYSA-N -1 0 336.373 2.248 20 5 EEBDRM Cc1cc(N[C@@H]2CCO[C@]3(CCOC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000515302245 467984225 /nfs/dbraw/zinc/98/42/25/467984225.db2.gz NQEAWOMOLGGCSM-BDJLRTHQSA-N -1 0 336.344 2.351 20 5 EEBDRM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000487095853 468022528 /nfs/dbraw/zinc/02/25/28/468022528.db2.gz DMZDVPVZHGSPQL-JTQLQIEISA-N -1 0 339.348 2.038 20 5 EEBDRM O=C([O-])c1ccnc(N2CC[C@@H](Nc3ccccc3)C2)c1[N+](=O)[O-] ZINC000519776137 468208945 /nfs/dbraw/zinc/20/89/45/468208945.db2.gz OHXRIZYUXZUDGD-GFCCVEGCSA-N -1 0 328.328 2.379 20 5 EEBDRM Cc1cc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582668727 468575513 /nfs/dbraw/zinc/57/55/13/468575513.db2.gz GZCBVWPFPLQQGE-UFBFGSQYSA-N -1 0 348.277 2.351 20 5 EEBDRM Cn1ncc(C2CC2)c1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000594734522 468667649 /nfs/dbraw/zinc/66/76/49/468667649.db2.gz AEPSEJVEYMYMCJ-UHFFFAOYSA-N -1 0 330.344 2.445 20 5 EEBDRM CC(C)(CO)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cccnc1 ZINC000597844319 468689765 /nfs/dbraw/zinc/68/97/65/468689765.db2.gz DDFFOGQIDSXOTD-HNNXBMFYSA-N -1 0 345.355 2.185 20 5 EEBDRM Cn1cc(C2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)cn1 ZINC000570805266 468695347 /nfs/dbraw/zinc/69/53/47/468695347.db2.gz MZXMBFILZAEWEQ-UHFFFAOYSA-N -1 0 330.344 2.411 20 5 EEBDRM COc1ccc(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000592964027 468829052 /nfs/dbraw/zinc/82/90/52/468829052.db2.gz WFEHPPLUMRSVEA-UHFFFAOYSA-N -1 0 331.328 2.660 20 5 EEBDRM CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598480277 468880412 /nfs/dbraw/zinc/88/04/12/468880412.db2.gz IVRZPJONWQAKMX-CZUORRHYSA-N -1 0 336.344 2.152 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)cc1 ZINC000562446745 468960349 /nfs/dbraw/zinc/96/03/49/468960349.db2.gz GWVYQWZIXYAYHA-UHFFFAOYSA-N -1 0 326.359 2.125 20 5 EEBDRM CC[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593695920 469097932 /nfs/dbraw/zinc/09/79/32/469097932.db2.gz CXQYSEWVOCLNJG-JSGCOSHPSA-N -1 0 336.344 2.323 20 5 EEBDRM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H](C(F)(F)F)O1 ZINC000610882389 469102495 /nfs/dbraw/zinc/10/24/95/469102495.db2.gz WTTMVJZJGZTKFM-OIBJUYFYSA-N -1 0 334.250 2.092 20 5 EEBDRM Nc1c(C(=O)N2CCC(CCC(=O)[O-])CC2)cc(F)cc1[N+](=O)[O-] ZINC000611478015 469257530 /nfs/dbraw/zinc/25/75/30/469257530.db2.gz DZVXRPODCJUOGN-UHFFFAOYSA-N -1 0 339.323 2.033 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000612550065 469493325 /nfs/dbraw/zinc/49/33/25/469493325.db2.gz IWSPNDGLUZICMP-WRWORJQWSA-N -1 0 334.250 2.092 20 5 EEBDRM CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000456153814 535507650 /nfs/dbraw/zinc/50/76/50/535507650.db2.gz KJXUQMNILUNALZ-NEPJUHHUSA-N -1 0 336.344 2.152 20 5 EEBDRM CCCCSCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000734736174 577323363 /nfs/dbraw/zinc/32/33/63/577323363.db2.gz BHAJBKZZYGHGBC-UHFFFAOYSA-N -1 0 346.430 2.241 20 5 EEBDRM O=C([N-]Oc1ccccc1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000773462964 577344811 /nfs/dbraw/zinc/34/48/11/577344811.db2.gz YNFOFKUDWQHUAA-OAHLLOKOSA-N -1 0 327.296 2.198 20 5 EEBDRM COC(=O)c1ccsc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768865957 577564514 /nfs/dbraw/zinc/56/45/14/577564514.db2.gz FPOQOHOGBUOIQT-UHFFFAOYSA-N -1 0 348.383 2.305 20 5 EEBDRM COc1ccc(OC)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768864724 577564544 /nfs/dbraw/zinc/56/45/44/577564544.db2.gz SBENRHCQVVVGKY-UHFFFAOYSA-N -1 0 344.370 2.474 20 5 EEBDRM O=C(Cc1cnn(-c2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770855249 577604852 /nfs/dbraw/zinc/60/48/52/577604852.db2.gz BCNWPSMJBRQBIF-UHFFFAOYSA-N -1 0 339.311 2.062 20 5 EEBDRM CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770859242 577604930 /nfs/dbraw/zinc/60/49/30/577604930.db2.gz WHWQJTPHCRSZTC-DHDCSXOGSA-N -1 0 341.323 2.416 20 5 EEBDRM O=C(CCCC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000771285771 577613118 /nfs/dbraw/zinc/61/31/18/577613118.db2.gz YKZUIHHZBBINHG-UHFFFAOYSA-N -1 0 346.308 2.194 20 5 EEBDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000763976793 577728972 /nfs/dbraw/zinc/72/89/72/577728972.db2.gz HHYPLZDMUSPMTQ-JTQLQIEISA-N -1 0 328.390 2.333 20 5 EEBDRM COC(OC)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000753088109 577781310 /nfs/dbraw/zinc/78/13/10/577781310.db2.gz RPBXQBODPRMHSP-AWEZNQCLSA-N -1 0 346.339 2.390 20 5 EEBDRM C[C@@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000753811816 577794223 /nfs/dbraw/zinc/79/42/23/577794223.db2.gz WKDNPKLBWBWHHB-CPJBWDMUSA-N -1 0 330.387 2.208 20 5 EEBDRM O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000744227151 577894885 /nfs/dbraw/zinc/89/48/85/577894885.db2.gz MXYRXCYNVDJFKJ-ZDUSSCGKSA-N -1 0 343.339 2.128 20 5 EEBDRM O=C([O-])CC1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000738564612 578019539 /nfs/dbraw/zinc/01/95/39/578019539.db2.gz YPLZTQKFLULMGX-UHFFFAOYSA-N -1 0 333.344 2.171 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H]2CCc3c2cccc3O)cc([N+](=O)[O-])c1 ZINC000738673747 578023466 /nfs/dbraw/zinc/02/34/66/578023466.db2.gz WCIZEILSZGFCFP-AWEZNQCLSA-N -1 0 342.307 2.416 20 5 EEBDRM O=C([O-])C1(NC(=O)COc2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000739328592 578048705 /nfs/dbraw/zinc/04/87/05/578048705.db2.gz LHAODHGXIZEDNF-UHFFFAOYSA-N -1 0 340.307 2.016 20 5 EEBDRM O=C([O-])c1coc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC000740258307 578087861 /nfs/dbraw/zinc/08/78/61/578087861.db2.gz SFPXFOUEQSEQDX-UHFFFAOYSA-N -1 0 337.215 2.065 20 5 EEBDRM CSCCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000740559285 578098748 /nfs/dbraw/zinc/09/87/48/578098748.db2.gz RGMJTRVVSHALNO-UHFFFAOYSA-N -1 0 346.430 2.241 20 5 EEBDRM CC(C)C[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000736428483 578203348 /nfs/dbraw/zinc/20/33/48/578203348.db2.gz XLEQJBSVGIEHAE-CQSZACIVSA-N -1 0 347.327 2.437 20 5 EEBDRM CCC1(C)CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736930507 578229795 /nfs/dbraw/zinc/22/97/95/578229795.db2.gz XCRPBVIAQTTYHE-UHFFFAOYSA-N -1 0 349.387 2.426 20 5 EEBDRM CCC[C@@H](C)N(C)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736965278 578231654 /nfs/dbraw/zinc/23/16/54/578231654.db2.gz OSSNIQOEGGXNOO-GHMZBOCLSA-N -1 0 337.376 2.423 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@@H]2CCCn3ncnc32)c([N+](=O)[O-])c1 ZINC000833195325 601787031 /nfs/dbraw/zinc/78/70/31/601787031.db2.gz FMDWIPDIZZIZMI-TXNVCOODSA-N -1 0 329.316 2.231 20 5 EEBDRM NC(=O)C1(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000833080593 604268029 /nfs/dbraw/zinc/26/80/29/604268029.db2.gz BOGLOTKBTAMSKU-UHFFFAOYSA-N -1 0 341.751 2.404 20 5 EEBDRM CC(C)C(=O)NCCN(C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000833466589 604465752 /nfs/dbraw/zinc/46/57/52/604465752.db2.gz CTQFDXYKHKNFNH-UHFFFAOYSA-N -1 0 343.767 2.155 20 5 EEBDRM Cc1cc([C@H](C)OC(=O)c2c([N+](=O)[O-])c(C)nn2C)oc1C(=O)[O-] ZINC000832871500 604572804 /nfs/dbraw/zinc/57/28/04/604572804.db2.gz HQECDYHAVIMQHR-QMMMGPOBSA-N -1 0 337.288 2.154 20 5 EEBDRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000833456372 605076739 /nfs/dbraw/zinc/07/67/39/605076739.db2.gz UTWUJZAQDKZLPL-UHFFFAOYSA-N -1 0 332.259 2.179 20 5 EEBDRM CC(C)(C)CCC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000121500140 676721826 /nfs/dbraw/zinc/72/18/26/676721826.db2.gz YURLMFRYONVRFR-UHFFFAOYSA-N -1 0 328.390 2.367 20 5 EEBDRM CC(C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)=C1CCCC1 ZINC000161878955 679247889 /nfs/dbraw/zinc/24/78/89/679247889.db2.gz NNCJRIKVWZUJOP-UHFFFAOYSA-N -1 0 338.385 2.431 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000130530299 1201980786 /nfs/dbraw/zinc/98/07/86/1201980786.db2.gz WOFSHNBZABOXKM-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779656147 1210708881 /nfs/dbraw/zinc/70/88/81/1210708881.db2.gz RCLJDGPJUZPQCV-CQSZACIVSA-N -1 0 332.360 2.342 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)c1cccc(F)c1 ZINC000779675889 1210751993 /nfs/dbraw/zinc/75/19/93/1210751993.db2.gz OEJOPQYJGLOBHH-BJOHPYRUSA-N -1 0 334.303 2.291 20 5 EEBDRM O=C(Nc1ccc(-n2nccn2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000193449628 1210842371 /nfs/dbraw/zinc/84/23/71/1210842371.db2.gz YJMUWXIRBZHBTO-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1c(C(=O)[N-]S(=O)(=O)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000195081877 1211311592 /nfs/dbraw/zinc/31/15/92/1211311592.db2.gz ATBKGGFYKUQDCD-UHFFFAOYSA-N -1 0 348.380 2.206 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000098052291 1216527365 /nfs/dbraw/zinc/52/73/65/1216527365.db2.gz NZNQHPOLTOIQGE-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM CC[C@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885911 1277378931 /nfs/dbraw/zinc/37/89/31/1277378931.db2.gz MVPSLBKDMGIPCR-VIFPVBQESA-N -1 0 332.353 2.365 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000115925055 1294038896 /nfs/dbraw/zinc/03/88/96/1294038896.db2.gz OMFWQUQAYALBGE-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM CN(C)c1cccc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)c1 ZINC001213596023 1296102018 /nfs/dbraw/zinc/10/20/18/1296102018.db2.gz IRLCBHQYPOGJKY-UHFFFAOYSA-N -1 0 327.300 2.478 20 5 EEBDRM CCC(CC)[C@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226648466 1301492465 /nfs/dbraw/zinc/49/24/65/1301492465.db2.gz FLZQBIWPGUCRFN-VIFPVBQESA-N -1 0 327.337 2.471 20 5 EEBDRM CSc1nc(OC[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624914 1301913629 /nfs/dbraw/zinc/91/36/29/1301913629.db2.gz IUAAHTHSHYAEDY-SECBINFHSA-N -1 0 335.341 2.195 20 5 EEBDRM O=C(Oc1ccc2c(c1)NC(=O)CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000781147958 1303747074 /nfs/dbraw/zinc/74/70/74/1303747074.db2.gz YJNMBWXYNZFXFP-UHFFFAOYSA-N -1 0 328.280 2.404 20 5 EEBDRM C[C@@H](NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001118788438 1308942238 /nfs/dbraw/zinc/94/22/38/1308942238.db2.gz LIAVVXHSYNXANO-LDYMZIIASA-N -1 0 343.286 2.160 20 5 EEBDRM COc1ccnc(-c2noc(C([O-])=Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC001248978928 1310978992 /nfs/dbraw/zinc/97/89/92/1310978992.db2.gz CPXDJLBNDFREQH-UHFFFAOYSA-N -1 0 340.295 2.474 20 5 EEBDRM CC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000835232479 1314905982 /nfs/dbraw/zinc/90/59/82/1314905982.db2.gz VLEHJAOWZHLARW-ONGXEEELSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@]1(CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1(Cl)Cl ZINC000839786404 1315244323 /nfs/dbraw/zinc/24/43/23/1315244323.db2.gz VLOYOAJMOKWHLV-NSHDSACASA-N -1 0 334.159 2.399 20 5 EEBDRM O=c1[n-]c(CCCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC001306981152 1328302874 /nfs/dbraw/zinc/30/28/74/1328302874.db2.gz NSXGLUYPAUHHQM-UHFFFAOYSA-N -1 0 331.254 2.482 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001601227270 1350236533 /nfs/dbraw/zinc/23/65/33/1350236533.db2.gz NZTHDQDZGDUYLM-YSLLHCQFSA-N -1 0 330.340 2.164 20 5 EEBDRM O=C([O-])c1ccccc1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC001608947973 1351800984 /nfs/dbraw/zinc/80/09/84/1351800984.db2.gz SHZRXGZAHXEAKG-UHFFFAOYSA-N -1 0 328.324 2.382 20 5 EEBDRM COC(=O)[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC001321350186 1333081249 /nfs/dbraw/zinc/08/12/49/1333081249.db2.gz OTVAHCCDCSIIFY-QGZVFWFLSA-N -1 0 344.323 2.119 20 5 EEBDRM C[C@H](NC(=O)C(=O)[N-]OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001323395423 1333454824 /nfs/dbraw/zinc/45/48/24/1333454824.db2.gz HVWYSXSCJCCDSE-LBPRGKRZSA-N -1 0 343.339 2.020 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)C(C)(C)C)c1 ZINC001326330417 1334069775 /nfs/dbraw/zinc/06/97/75/1334069775.db2.gz XKDNOZYPSDNEFZ-UHFFFAOYSA-N -1 0 332.403 2.175 20 5 EEBDRM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC001609768601 1352080365 /nfs/dbraw/zinc/08/03/65/1352080365.db2.gz JMDYBGRQRGXKDP-SNVBAGLBSA-N -1 0 344.327 2.500 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001609833158 1352096360 /nfs/dbraw/zinc/09/63/60/1352096360.db2.gz IXKNIHPYRDMRAV-IONNQARKSA-N -1 0 344.726 2.251 20 5 EEBDRM CN(CC(F)(F)F)c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001339194036 1336973208 /nfs/dbraw/zinc/97/32/08/1336973208.db2.gz UXWDRBPEWPWLGU-UHFFFAOYSA-N -1 0 331.254 2.094 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCCC[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001609852404 1352102104 /nfs/dbraw/zinc/10/21/04/1352102104.db2.gz IGYIPSQBOMMPCS-NWDGAFQWSA-N -1 0 349.387 2.424 20 5 EEBDRM Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCCC(F)(F)C1 ZINC001350952566 1337775864 /nfs/dbraw/zinc/77/58/64/1337775864.db2.gz VJXSGXIRJUPXNK-UHFFFAOYSA-N -1 0 339.302 2.331 20 5 EEBDRM Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCC[C@H](CF)C1 ZINC001350952428 1337776026 /nfs/dbraw/zinc/77/60/26/1337776026.db2.gz UCKWLCAZHQIWLG-SNVBAGLBSA-N -1 0 335.339 2.282 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)coc1CC(=O)[O-] ZINC001610148840 1352173448 /nfs/dbraw/zinc/17/34/48/1352173448.db2.gz WNNNUEWWDFGHDK-UHFFFAOYSA-N -1 0 333.300 2.417 20 5 EEBDRM Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001355594206 1338736350 /nfs/dbraw/zinc/73/63/50/1338736350.db2.gz OQRFLEXXKBWEST-PHIMTYICSA-N -1 0 329.360 2.332 20 5 EEBDRM CSC1CCN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2C)CC1 ZINC001355661812 1338740584 /nfs/dbraw/zinc/74/05/84/1338740584.db2.gz PUGNWHHJCJKXHK-UHFFFAOYSA-N -1 0 349.416 2.428 20 5 EEBDRM Cc1c(Cc2noc(C34CC(C(=O)[O-])(C3)C4)n2)cccc1[N+](=O)[O-] ZINC001610413166 1352218674 /nfs/dbraw/zinc/21/86/74/1352218674.db2.gz LZFLTOXHQRCGSF-UHFFFAOYSA-N -1 0 329.312 2.383 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC001610648737 1352257513 /nfs/dbraw/zinc/25/75/13/1352257513.db2.gz DJZSFDWSJFCKFE-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC001610666243 1352259068 /nfs/dbraw/zinc/25/90/68/1352259068.db2.gz WRBSYPIAJVYEGB-UHFFFAOYSA-N -1 0 333.275 2.483 20 5 EEBDRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001610696702 1352261318 /nfs/dbraw/zinc/26/13/18/1352261318.db2.gz YFCLLACATMMUDI-UHFFFAOYSA-N -1 0 346.324 2.161 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001610742395 1352267326 /nfs/dbraw/zinc/26/73/26/1352267326.db2.gz PIUXWVNZABISHU-WDEREUQCSA-N -1 0 328.271 2.056 20 5 EEBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1(C)C ZINC001590274683 1349242883 /nfs/dbraw/zinc/24/28/83/1349242883.db2.gz ODSGPIQXTLSMJN-VIFPVBQESA-N -1 0 331.380 2.230 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001600217080 1349995095 /nfs/dbraw/zinc/99/50/95/1349995095.db2.gz YBVWECIVRBWHQO-NZXMKCKXSA-N -1 0 342.735 2.373 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])n1 ZINC001600303945 1350015469 /nfs/dbraw/zinc/01/54/69/1350015469.db2.gz AZXOQQAWNLHBJV-HNNXBMFYSA-N -1 0 341.323 2.263 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)n1 ZINC001600304129 1350015816 /nfs/dbraw/zinc/01/58/16/1350015816.db2.gz FYVQVHNRKUZXPE-UHFFFAOYSA-N -1 0 330.300 2.261 20 5 EEBDRM Cc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)cc1[N+](=O)[O-] ZINC001600337703 1350023784 /nfs/dbraw/zinc/02/37/84/1350023784.db2.gz MQTYFPMBYFWUGP-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)n1C ZINC001600486955 1350063306 /nfs/dbraw/zinc/06/33/06/1350063306.db2.gz IRVXLMHJXIUXTJ-UHFFFAOYSA-N -1 0 345.355 2.487 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc(C(=O)[O-])c3)n2)n1C ZINC001600717026 1350120253 /nfs/dbraw/zinc/12/02/53/1350120253.db2.gz HGCBHGBQYIQKPI-UHFFFAOYSA-N -1 0 329.272 2.052 20 5 EEBDRM Cn1c2ccccc2c(NC[C@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])c1=O ZINC001600895036 1350161930 /nfs/dbraw/zinc/16/19/30/1350161930.db2.gz OIYYEMWKSFNCNK-NSHDSACASA-N -1 0 345.355 2.360 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001600909289 1350165638 /nfs/dbraw/zinc/16/56/38/1350165638.db2.gz SHCSOEHCYKZYJF-ZDUSSCGKSA-N -1 0 347.375 2.055 20 5 EEBDRM Cn1cc([C@@H]2CN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])CC2(C)C)cn1 ZINC001600943386 1350173490 /nfs/dbraw/zinc/17/34/90/1350173490.db2.gz HBYICIUJQXWOPV-LBPRGKRZSA-N -1 0 345.359 2.052 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC001601575969 1350310919 /nfs/dbraw/zinc/31/09/19/1350310919.db2.gz DILSLLZZZLSZHK-HVSQXUEJSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC001601577818 1350311319 /nfs/dbraw/zinc/31/13/19/1350311319.db2.gz DGWAIWCPCVLKIG-DZUGKKRCSA-N -1 0 343.339 2.305 20 5 EEBDRM O=C([O-])[C@@H](CC1CCOCC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001601646975 1350327323 /nfs/dbraw/zinc/32/73/23/1350327323.db2.gz ZZHWZPNNZJHEEL-CQSZACIVSA-N -1 0 346.343 2.220 20 5 EEBDRM O=C([O-])CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC001602050773 1350427102 /nfs/dbraw/zinc/42/71/02/1350427102.db2.gz NVTHHYCAHVERFT-UHFFFAOYSA-N -1 0 330.699 2.005 20 5 EEBDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC001602112203 1350441849 /nfs/dbraw/zinc/44/18/49/1350441849.db2.gz SKXUYNCPRJYXDC-YPMHNXCESA-N -1 0 335.360 2.080 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@H](n3ccnn3)CC2)c([N+](=O)[O-])c1 ZINC001602120954 1350444077 /nfs/dbraw/zinc/44/40/77/1350444077.db2.gz PXSNCBPJMDLAIL-ZDUSSCGKSA-N -1 0 345.359 2.045 20 5 EEBDRM O=C([O-])Cc1ccc(NCc2nc(C(F)(F)F)no2)c([N+](=O)[O-])c1 ZINC001602138756 1350448135 /nfs/dbraw/zinc/44/81/35/1350448135.db2.gz UELSZSATKNLBPD-UHFFFAOYSA-N -1 0 346.221 2.236 20 5 EEBDRM O=C([O-])c1cc(F)cc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC001602274271 1350483568 /nfs/dbraw/zinc/48/35/68/1350483568.db2.gz MZQFAWDGDIPMBC-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2c3c(ccc2F)OCO3)cc1[N+](=O)[O-] ZINC001602386074 1350508147 /nfs/dbraw/zinc/50/81/47/1350508147.db2.gz BPGYJYPVBPCLGO-UHFFFAOYSA-N -1 0 349.226 2.380 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2CC(F)F)c1 ZINC001602405458 1350512048 /nfs/dbraw/zinc/51/20/48/1350512048.db2.gz XFRJYGRKMBGBTG-SNVBAGLBSA-N -1 0 329.303 2.434 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2nccc(C(F)(F)F)n2)n1 ZINC001602405861 1350512109 /nfs/dbraw/zinc/51/21/09/1350512109.db2.gz RUQJDQUXIZGEMA-UHFFFAOYSA-N -1 0 343.221 2.109 20 5 EEBDRM O=C([O-])c1cccc(Br)c1Cn1cnc([N+](=O)[O-])c1 ZINC001602430376 1350517654 /nfs/dbraw/zinc/51/76/54/1350517654.db2.gz HQUQLFVQPQKLGN-UHFFFAOYSA-N -1 0 326.106 2.300 20 5 EEBDRM O=C([O-])c1cccc(Cn2cc([N+](=O)[O-])cc(F)c2=O)c1Cl ZINC001602443030 1350520559 /nfs/dbraw/zinc/52/05/59/1350520559.db2.gz CUPUCIQAZDBZNX-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@@H]1OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001602610064 1350556488 /nfs/dbraw/zinc/55/64/88/1350556488.db2.gz LPOLIHMTKGVVQM-ONGXEEELSA-N -1 0 337.284 2.124 20 5 EEBDRM O=C([O-])c1c(Cl)c(N[C@@H]2CCNC(=O)CC2)ccc1[N+](=O)[O-] ZINC001602638855 1350563561 /nfs/dbraw/zinc/56/35/61/1350563561.db2.gz LMUSEKAJWAUJBV-ZETCQYMHSA-N -1 0 327.724 2.027 20 5 EEBDRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])cn1)c1ccccc1[N+](=O)[O-] ZINC001603237865 1350667859 /nfs/dbraw/zinc/66/78/59/1350667859.db2.gz HHGOLSAEWCEAQP-UHFFFAOYSA-N -1 0 343.339 2.282 20 5 EEBDRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])nc1)c1ccc([N+](=O)[O-])cc1 ZINC001603238390 1350668087 /nfs/dbraw/zinc/66/80/87/1350668087.db2.gz XYCOSMNYTGRDDB-UHFFFAOYSA-N -1 0 343.339 2.282 20 5 EEBDRM CC(C)c1noc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001604027575 1350833151 /nfs/dbraw/zinc/83/31/51/1350833151.db2.gz KPSFFLMXLMYYJX-UHFFFAOYSA-N -1 0 335.272 2.156 20 5 EEBDRM C[C@@H](COCc1ccccc1)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O ZINC001604202302 1350891772 /nfs/dbraw/zinc/89/17/72/1350891772.db2.gz SLOBWNQKRUOACR-GFCCVEGCSA-N -1 0 346.339 2.308 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NCCc2ccoc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604312646 1350913372 /nfs/dbraw/zinc/91/33/72/1350913372.db2.gz BCFHGSMBBSPUNL-JTQLQIEISA-N -1 0 347.327 2.045 20 5 EEBDRM C[C@H](OC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)[O-])o1 ZINC001604394482 1350928444 /nfs/dbraw/zinc/92/84/44/1350928444.db2.gz YJURQSLPKWRGQK-ISVAXAHUSA-N -1 0 335.268 2.224 20 5 EEBDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001604461376 1350942189 /nfs/dbraw/zinc/94/21/89/1350942189.db2.gz MKYXAPZPHQTRJK-NSHDSACASA-N -1 0 346.343 2.164 20 5 EEBDRM C[C@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC[S@]1=O ZINC001604758034 1350997957 /nfs/dbraw/zinc/99/79/57/1350997957.db2.gz RZGWKKZWSVEIOE-QSIZCVBASA-N -1 0 346.792 2.294 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)COc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604936079 1351035015 /nfs/dbraw/zinc/03/50/15/1351035015.db2.gz PEXBUUWKTKMTRS-SDBXPKJASA-N -1 0 344.751 2.243 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001604988949 1351047044 /nfs/dbraw/zinc/04/70/44/1351047044.db2.gz NJEBNDMTQLZXRK-UHFFFAOYSA-N -1 0 326.324 2.426 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001605061198 1351069853 /nfs/dbraw/zinc/06/98/53/1351069853.db2.gz QLECLMBJZJEWIY-OBJOEFQTSA-N -1 0 338.335 2.187 20 5 EEBDRM CCO[C@H](C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)C ZINC001605589381 1351196373 /nfs/dbraw/zinc/19/63/73/1351196373.db2.gz JXNOMORSZBBDIO-ZDUSSCGKSA-N -1 0 325.317 2.397 20 5 EEBDRM CO[C@@H]1CCC[C@@H]1CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001606743791 1351350375 /nfs/dbraw/zinc/35/03/75/1351350375.db2.gz ZNINQDJEFHZFJF-PRHODGIISA-N -1 0 339.304 2.428 20 5 EEBDRM COC[C@](C)(O)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001606791494 1351356973 /nfs/dbraw/zinc/35/69/73/1351356973.db2.gz BGEUYBPPAXJIBF-CYBMUJFWSA-N -1 0 332.740 2.146 20 5 EEBDRM COCc1nc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cs1 ZINC001606973149 1351388430 /nfs/dbraw/zinc/38/84/30/1351388430.db2.gz DWMKXUKPSVZAKG-UHFFFAOYSA-N -1 0 338.297 2.115 20 5 EEBDRM COc1ccc(CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC001607242038 1351456927 /nfs/dbraw/zinc/45/69/27/1351456927.db2.gz VPOZAXMPZSDSNB-ZDUSSCGKSA-N -1 0 338.360 2.152 20 5 EEBDRM Cc1c(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607544131 1351513684 /nfs/dbraw/zinc/51/36/84/1351513684.db2.gz XRWHJFVJOYGVIV-DTORHVGOSA-N -1 0 337.332 2.243 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(N(CCC(=O)[O-])Cc2ccncc2)n1 ZINC001607622407 1351527357 /nfs/dbraw/zinc/52/73/57/1351527357.db2.gz VJHPJPIDKCXUOY-UHFFFAOYSA-N -1 0 330.344 2.483 20 5 EEBDRM Cc1cc(N2CCCCCNC(=O)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607668670 1351536324 /nfs/dbraw/zinc/53/63/24/1351536324.db2.gz ZYAWXVMADZWTFJ-UHFFFAOYSA-N -1 0 335.360 2.098 20 5 EEBDRM Cc1ccc2sc(Cn3cc([N+](=O)[O-])cc(C(=O)[O-])c3=O)nc2c1 ZINC001607835678 1351568345 /nfs/dbraw/zinc/56/83/45/1351568345.db2.gz UKEHZLBIUVXJBP-UHFFFAOYSA-N -1 0 345.336 2.421 20 5 EEBDRM Cc1sc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC001608059495 1351616624 /nfs/dbraw/zinc/61/66/24/1351616624.db2.gz KPRIBGNVCTUYPH-YFKPBYRVSA-N -1 0 326.252 2.100 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001608273398 1351660885 /nfs/dbraw/zinc/66/08/85/1351660885.db2.gz KGSQDEYNNMPNGM-TYNCELHUSA-N -1 0 347.371 2.283 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001608274676 1351661323 /nfs/dbraw/zinc/66/13/23/1351661323.db2.gz QFAJSRBXFCFUBI-LLVKDONJSA-N -1 0 335.360 2.188 20 5 EEBDRM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014257099 1369547210 /nfs/dbraw/zinc/54/72/10/1369547210.db2.gz CVVXJEZYZJEXRT-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM CC(C)Cc1ncc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000794595235 1369580197 /nfs/dbraw/zinc/58/01/97/1369580197.db2.gz VOYMHFIXARGRHO-UHFFFAOYSA-N -1 0 342.402 2.446 20 5 EEBDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000798898423 1371620046 /nfs/dbraw/zinc/62/00/46/1371620046.db2.gz LMPMUKUZWVXELG-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(C(=O)[O-])ccn1 ZINC001606141011 1404765614 /nfs/dbraw/zinc/76/56/14/1404765614.db2.gz MIXGDRUJFRSHNU-UHFFFAOYSA-N -1 0 329.312 2.003 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236943273 770766854 /nfs/dbraw/zinc/76/68/54/770766854.db2.gz GHNVMLDILLQKJJ-NSHDSACASA-N -1 0 346.343 2.106 20 5 EEBDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000815985826 783589494 /nfs/dbraw/zinc/58/94/94/783589494.db2.gz ZMKPZFWFAYBALA-UHFFFAOYSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000819936469 785732301 /nfs/dbraw/zinc/73/23/01/785732301.db2.gz PILCTXGUKGRLMW-FZMZJTMJSA-N -1 0 340.401 2.367 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@@H](C(F)F)C1 ZINC000843878539 788709387 /nfs/dbraw/zinc/70/93/87/788709387.db2.gz DFCWTIBNBHKSII-SECBINFHSA-N -1 0 336.678 2.060 20 5 EEBDRM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CC(C)(C)OC1=O ZINC000843896229 788722837 /nfs/dbraw/zinc/72/28/37/788722837.db2.gz VOSOBROETLYWNC-JTQLQIEISA-N -1 0 342.735 2.120 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844836585 789386477 /nfs/dbraw/zinc/38/64/77/789386477.db2.gz HQWCVNDDKIRKNG-PRHODGIISA-N -1 0 341.751 2.124 20 5 EEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)nc2)cc1[N+](=O)[O-] ZINC000165808904 789574515 /nfs/dbraw/zinc/57/45/15/789574515.db2.gz LFWFXRADDQIUSX-UHFFFAOYSA-N -1 0 329.284 2.377 20 5 EEBDRM CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)c1n[nH]c(C)c1[O-] ZINC001106725544 796289400 /nfs/dbraw/zinc/28/94/00/796289400.db2.gz GRQJREOZSMCFJM-UHFFFAOYSA-N -1 0 347.375 2.215 20 5 EEBDRM COc1ccc2nc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)nnc2c1 ZINC001174502226 797784067 /nfs/dbraw/zinc/78/40/67/797784067.db2.gz JAOJEUFBTBXVHX-UHFFFAOYSA-N -1 0 341.283 2.383 20 5 EEBDRM CC1(C(=O)NCC2(Nc3cc[nH]c(=O)c3[N+](=O)[O-])CC2)CCCC1 ZINC001110288986 801161000 /nfs/dbraw/zinc/16/10/00/801161000.db2.gz NSYRNUUTXWOUMW-UHFFFAOYSA-N -1 0 334.376 2.336 20 5 EEBDRM O=C(CCC1CCC1)NCC1(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001110095123 809644023 /nfs/dbraw/zinc/64/40/23/809644023.db2.gz OMAZMTKRVAGGDE-UHFFFAOYSA-N -1 0 334.376 2.336 20 5 EEBDRM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000804471945 810891244 /nfs/dbraw/zinc/89/12/44/810891244.db2.gz SDJOFBSMIAKHBC-BZNIZROVSA-N -1 0 330.340 2.461 20 5 EEBDRM O=C([O-])COCC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001595108339 951899729 /nfs/dbraw/zinc/89/97/29/951899729.db2.gz UPJYSNOGCIPIPL-UHFFFAOYSA-N -1 0 346.295 2.427 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001594717910 956939310 /nfs/dbraw/zinc/93/93/10/956939310.db2.gz CGIKGZVDHGVBNV-CYBMUJFWSA-N -1 0 349.730 2.069 20 5 EEBDRM CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000094219035 958263530 /nfs/dbraw/zinc/26/35/30/958263530.db2.gz LFPMZPIKEZEDNA-GFCCVEGCSA-N -1 0 345.149 2.340 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1c(Br)cncc1[N+](=O)[O-] ZINC000235285865 960404495 /nfs/dbraw/zinc/40/44/95/960404495.db2.gz FPSXNINYNUMPMA-RNFRBKRXSA-N -1 0 330.138 2.052 20 5 EEBDRM C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC001603405718 973063380 /nfs/dbraw/zinc/06/33/80/973063380.db2.gz XFGGXIAMWZHQIM-KAOXEZKKSA-N -1 0 332.356 2.410 20 5 EEBDRM C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C(=O)[O-] ZINC001603421679 973133500 /nfs/dbraw/zinc/13/35/00/973133500.db2.gz FHCULMNKSZRIPR-WPRPVWTQSA-N -1 0 325.296 2.308 20 5 EEBDRM O=C([O-])CN1CCCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC001606259623 973622257 /nfs/dbraw/zinc/62/22/57/973622257.db2.gz VXTPNDRPEKUIEN-LLVKDONJSA-N -1 0 341.751 2.126 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC001592309292 977677949 /nfs/dbraw/zinc/67/79/49/977677949.db2.gz QTVZTDACGLBWMF-MRXNPFEDSA-N -1 0 347.302 2.249 20 5 EEBDRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C(C)(C)O ZINC001595251718 980213433 /nfs/dbraw/zinc/21/34/33/980213433.db2.gz CSHHTSXWBBHXEL-LBPRGKRZSA-N -1 0 339.348 2.272 20 5 EEBDRM CCCNC(=O)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001595922084 983036989 /nfs/dbraw/zinc/03/69/89/983036989.db2.gz GSLYSQVJPXPVQF-UHFFFAOYSA-N -1 0 329.740 2.275 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001596304471 983732045 /nfs/dbraw/zinc/73/20/45/983732045.db2.gz XSIMAPMXDWRYBD-VIFPVBQESA-N -1 0 344.751 2.339 20 5 EEBDRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1csc([N+](=O)[O-])c1 ZINC001596912731 985921044 /nfs/dbraw/zinc/92/10/44/985921044.db2.gz ZEYANHSMNZIQCO-SNVBAGLBSA-N -1 0 344.389 2.246 20 5 EEBDRM CCc1n[nH]c(C(=O)NCC2(CC(=O)[O-])CCCCC2)c1[N+](=O)[O-] ZINC001597399607 987657801 /nfs/dbraw/zinc/65/78/01/987657801.db2.gz JVEAATNDHUETGO-UHFFFAOYSA-N -1 0 338.364 2.035 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001597842701 989545649 /nfs/dbraw/zinc/54/56/49/989545649.db2.gz AELXKQADOXBBMY-KBPBESRZSA-N -1 0 344.371 2.424 20 5 EEBDRM COc1nsc(CN(C)Cc2ccccc2[N+](=O)[O-])c1C(=O)[O-] ZINC001599740776 991850775 /nfs/dbraw/zinc/85/07/75/991850775.db2.gz HISVNSVAAYIWIJ-UHFFFAOYSA-N -1 0 337.357 2.390 20 5 EEBDRM CC(C)CNC(=O)CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001591370466 992403294 /nfs/dbraw/zinc/40/32/94/992403294.db2.gz JBOYAOUUZIPOLN-UHFFFAOYSA-N -1 0 329.740 2.131 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001598501829 992445155 /nfs/dbraw/zinc/44/51/55/992445155.db2.gz MCBYOBVYMDTECV-UHFFFAOYSA-N -1 0 344.327 2.394 20 5 EEBDRM COc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c([N+](=O)[O-])c1 ZINC001599594077 993726805 /nfs/dbraw/zinc/72/68/05/993726805.db2.gz KOGFCPFEQFQABS-PFWNZEGQSA-N -1 0 349.343 2.224 20 5 EEBDRM COc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001599446323 998014900 /nfs/dbraw/zinc/01/49/00/998014900.db2.gz XZSQAYLGHHKFRA-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM CO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@](C)(C(=O)[O-])C1 ZINC001599135587 998035532 /nfs/dbraw/zinc/03/55/32/998035532.db2.gz VVDMMQFEVKBBOT-FZMZJTMJSA-N -1 0 328.752 2.312 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000263246383 295798907 /nfs/dbraw/zinc/79/89/07/295798907.db2.gz DDELYUGPPOQUNG-ZETCQYMHSA-N -1 0 332.765 2.272 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)nnc1C ZINC000446807752 242222348 /nfs/dbraw/zinc/22/23/48/242222348.db2.gz DSXLGHCCLKFFMW-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM O=C([O-])CC1(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCC1 ZINC000262787800 245179018 /nfs/dbraw/zinc/17/90/18/245179018.db2.gz BOJNCOQHBCTWEW-UHFFFAOYSA-N -1 0 345.355 2.453 20 5 EEBDRM O=C([O-])C1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000262965680 245272029 /nfs/dbraw/zinc/27/20/29/245272029.db2.gz OXSYRJVSZKCMRS-UHFFFAOYSA-N -1 0 330.749 2.074 20 5 EEBDRM CC(C)[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263576530 245458390 /nfs/dbraw/zinc/45/83/90/245458390.db2.gz QNWRBXUGUHNWST-LBPRGKRZSA-N -1 0 332.715 2.155 20 5 EEBDRM O=C(NCCOc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000163014161 255807619 /nfs/dbraw/zinc/80/76/19/255807619.db2.gz ZSSQTNUEIAIWDT-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM O=C(NCc1ccnc(N2CCCC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164084512 255811022 /nfs/dbraw/zinc/81/10/22/255811022.db2.gz KHIROKCSJZWWCV-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM CN(Cc1nccn1C(F)F)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179415200 255923914 /nfs/dbraw/zinc/92/39/14/255923914.db2.gz FAWBHEOFYWKYIP-UHFFFAOYSA-N -1 0 326.259 2.164 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(c2cccs2)CC1 ZINC000119187261 221262137 /nfs/dbraw/zinc/26/21/37/221262137.db2.gz MZGOATRQMQDUSY-UHFFFAOYSA-N -1 0 333.369 2.324 20 5 EEBDRM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])Nc1ccc(Cl)cc1 ZINC000130438224 292373790 /nfs/dbraw/zinc/37/37/90/292373790.db2.gz KAHPYZYUDMSBMB-UHFFFAOYSA-N -1 0 349.730 2.322 20 5 EEBDRM CCC[C@H](NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1)c1nnn[n-]1 ZINC000184843324 160018574 /nfs/dbraw/zinc/01/85/74/160018574.db2.gz DLUHAPPJCSJVCM-JSGCOSHPSA-N -1 0 346.391 2.334 20 5 EEBDRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237987914 160226984 /nfs/dbraw/zinc/22/69/84/160226984.db2.gz YSSMPOYUPCKQEX-INIZCTEOSA-N -1 0 342.351 2.340 20 5 EEBDRM COc1ccc(O)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000342617937 161078465 /nfs/dbraw/zinc/07/84/65/161078465.db2.gz QZQXZYSTKBSYBY-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000345686191 161323044 /nfs/dbraw/zinc/32/30/44/161323044.db2.gz VRCCCMWNDWBDQH-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C([O-])COc1cccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000345806963 161333747 /nfs/dbraw/zinc/33/37/47/161333747.db2.gz OPVUXLFPSHFWPN-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC000358968916 164026061 /nfs/dbraw/zinc/02/60/61/164026061.db2.gz HSHSJBQLWPWIAP-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM CO[C@@](C)(CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000360265572 164271388 /nfs/dbraw/zinc/27/13/88/164271388.db2.gz GOHYZKKUEQDOFV-ZDUSSCGKSA-N -1 0 348.808 2.342 20 5 EEBDRM O=[N+]([O-])c1ccc(-c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)cc1[O-] ZINC000278212486 269215800 /nfs/dbraw/zinc/21/58/00/269215800.db2.gz XHHNQPGDQLVKEO-BXUZGUMPSA-N -1 0 346.343 2.276 20 5 EEBDRM Cc1ccc2c(c1)nc(CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])n2C ZINC000184016404 274019009 /nfs/dbraw/zinc/01/90/09/274019009.db2.gz YNYQSFMVRPAIKB-UHFFFAOYSA-N -1 0 340.339 2.426 20 5 EEBDRM COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274740761 274219895 /nfs/dbraw/zinc/21/98/95/274219895.db2.gz CXYMZWJGHNXWSH-CJNGLKHVSA-N -1 0 336.344 2.152 20 5 EEBDRM CN1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H](c2ccccc2)C1 ZINC000070902195 290031459 /nfs/dbraw/zinc/03/14/59/290031459.db2.gz HMBGYZZYVXTQNV-MRXNPFEDSA-N -1 0 341.367 2.429 20 5 EEBDRM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000293789015 293295956 /nfs/dbraw/zinc/29/59/56/293295956.db2.gz SAQXAKCGJVNNKV-NSHDSACASA-N -1 0 348.277 2.482 20 5 EEBDRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299424294 294739946 /nfs/dbraw/zinc/73/99/46/294739946.db2.gz USKWZFZMTSLPAD-QMMMGPOBSA-N -1 0 329.740 2.281 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000263389620 297343204 /nfs/dbraw/zinc/34/32/04/297343204.db2.gz YKYZVCDHWOCAHH-BDAKNGLRSA-N -1 0 326.736 2.431 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1n1ccnc1 ZINC000182106685 299953971 /nfs/dbraw/zinc/95/39/71/299953971.db2.gz RCRAMAMZRLUTTR-FZMZJTMJSA-N -1 0 330.344 2.220 20 5 EEBDRM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000242302132 303925423 /nfs/dbraw/zinc/92/54/23/303925423.db2.gz YPUKSBKRLZGTRF-KCPJHIHWSA-N -1 0 332.356 2.378 20 5 EEBDRM C[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC000326096596 311603140 /nfs/dbraw/zinc/60/31/40/311603140.db2.gz UPBZVRGLSPZWNX-RISCZKNCSA-N -1 0 335.360 2.032 20 5 EEBDRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000436644309 314983175 /nfs/dbraw/zinc/98/31/75/314983175.db2.gz ITPFKCVCSYWVLC-UHFFFAOYSA-N -1 0 331.284 2.246 20 5 EEBDRM COC(=O)COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436767538 314996928 /nfs/dbraw/zinc/99/69/28/314996928.db2.gz BUXPRXALYQOVDD-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM COc1ccc(OCCN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436936068 315013998 /nfs/dbraw/zinc/01/39/98/315013998.db2.gz RUTJSZMJFOWEOZ-UHFFFAOYSA-N -1 0 346.339 2.460 20 5 EEBDRM O=C(NCCN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436932421 315014361 /nfs/dbraw/zinc/01/43/61/315014361.db2.gz BVESKCLPILGNGS-UHFFFAOYSA-N -1 0 341.367 2.089 20 5 EEBDRM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1C ZINC000436966256 315017366 /nfs/dbraw/zinc/01/73/66/315017366.db2.gz MCQPUCORPSETRJ-UHFFFAOYSA-N -1 0 333.300 2.068 20 5 EEBDRM COC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966638 315017574 /nfs/dbraw/zinc/01/75/74/315017574.db2.gz OCQQLMSCTSPKEF-CYBMUJFWSA-N -1 0 330.340 2.288 20 5 EEBDRM O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436977245 315018909 /nfs/dbraw/zinc/01/89/09/315018909.db2.gz QVUDHHGIRGQAGB-GFCCVEGCSA-N -1 0 348.330 2.021 20 5 EEBDRM Cc1nn(C)c2nc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)ccc12 ZINC000439049909 315065449 /nfs/dbraw/zinc/06/54/49/315065449.db2.gz AHNPXXQOBPSKQS-UHFFFAOYSA-N -1 0 327.300 2.143 20 5 EEBDRM CC(C)(C)OC(=O)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000496726211 316242271 /nfs/dbraw/zinc/24/22/71/316242271.db2.gz VGBPLVPFGGOPKB-UHFFFAOYSA-N -1 0 337.376 2.353 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000518239137 316714584 /nfs/dbraw/zinc/71/45/84/316714584.db2.gz RLNIWCAUDCYTDH-SNVBAGLBSA-N -1 0 348.277 2.484 20 5 EEBDRM Cn1nccc1N1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000519821024 316831324 /nfs/dbraw/zinc/83/13/24/316831324.db2.gz JEWFRWDEVHGXPE-LBPRGKRZSA-N -1 0 345.359 2.107 20 5 EEBDRM O=C(NCCc1nc2ccccc2o1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000556909167 318660532 /nfs/dbraw/zinc/66/05/32/318660532.db2.gz YEILSPKKDQUQAZ-UHFFFAOYSA-N -1 0 327.296 2.414 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000557786898 318694798 /nfs/dbraw/zinc/69/47/98/318694798.db2.gz XTKZWPNPEDFMLG-HNNXBMFYSA-N -1 0 343.339 2.262 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000558697620 318727182 /nfs/dbraw/zinc/72/71/82/318727182.db2.gz OIGSQOPZSWZTSO-IUCAKERBSA-N -1 0 336.373 2.318 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000564922816 319128500 /nfs/dbraw/zinc/12/85/00/319128500.db2.gz GFHPVVBKANKITC-UHFFFAOYSA-N -1 0 342.373 2.212 20 5 EEBDRM C[C@H](N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C1(C)CC1 ZINC000566174047 319255790 /nfs/dbraw/zinc/25/57/90/319255790.db2.gz OCZDFYVJSCXQAM-VIFPVBQESA-N -1 0 342.373 2.102 20 5 EEBDRM CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@]12CCCO2 ZINC000566296796 319271398 /nfs/dbraw/zinc/27/13/98/319271398.db2.gz HDELZHJAFSDFOJ-FMKPAKJESA-N -1 0 336.344 2.432 20 5 EEBDRM O=C([O-])c1cnc(NCc2cccc3c2OCCCO3)c([N+](=O)[O-])c1 ZINC000566799857 319322685 /nfs/dbraw/zinc/32/26/85/319322685.db2.gz OJFGARLTRIFKSF-UHFFFAOYSA-N -1 0 345.311 2.461 20 5 EEBDRM Cc1ccnc(N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000567592005 319394874 /nfs/dbraw/zinc/39/48/74/319394874.db2.gz IKWOXARAHNAQFT-OCCSQVGLSA-N -1 0 335.360 2.004 20 5 EEBDRM O=C([O-])c1cnc(NCC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000570048090 319632070 /nfs/dbraw/zinc/63/20/70/319632070.db2.gz HESGGDCSXPBLAR-NSHDSACASA-N -1 0 345.311 2.330 20 5 EEBDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000570775828 319695421 /nfs/dbraw/zinc/69/54/21/319695421.db2.gz VRLKJDJMMUOOFG-NSHDSACASA-N -1 0 331.328 2.049 20 5 EEBDRM O=C([O-])c1ccnc(N2CC[C@@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000576993676 320222573 /nfs/dbraw/zinc/22/25/73/320222573.db2.gz BCAOZTKUKNDVGR-KRWDZBQOSA-N -1 0 341.323 2.324 20 5 EEBDRM O=C([O-])Cc1ccc(NCCc2cn3c(n2)SCC3)c([N+](=O)[O-])c1 ZINC000578536663 323650753 /nfs/dbraw/zinc/65/07/53/323650753.db2.gz KKDUQYSVEPBPAG-UHFFFAOYSA-N -1 0 348.384 2.179 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000578984731 323750772 /nfs/dbraw/zinc/75/07/72/323750772.db2.gz IQVPUBMZAVSPSF-AWEZNQCLSA-N -1 0 344.389 2.071 20 5 EEBDRM CC(C)n1cc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])nn1 ZINC000580215035 324018850 /nfs/dbraw/zinc/01/88/50/324018850.db2.gz NCSYBUAJGZPDOO-UHFFFAOYSA-N -1 0 339.739 2.056 20 5 EEBDRM CC(C)n1ncc2c1C[C@@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC000580956767 324158832 /nfs/dbraw/zinc/15/88/32/324158832.db2.gz FLLDWGSCLFBWCV-NSHDSACASA-N -1 0 345.359 2.435 20 5 EEBDRM C[C@@H](NC(=O)N[C@H](CC(F)F)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000582983737 324569235 /nfs/dbraw/zinc/56/92/35/324569235.db2.gz CREIFINFHDGHCX-GMSGAONNSA-N -1 0 331.275 2.063 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000327410239 465051300 /nfs/dbraw/zinc/05/13/00/465051300.db2.gz HSXQRNIYCZEOHT-LBPRGKRZSA-N -1 0 342.307 2.189 20 5 EEBDRM COc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000327972303 465055338 /nfs/dbraw/zinc/05/53/38/465055338.db2.gz OBFVYEQXSJOJHB-CYBMUJFWSA-N -1 0 344.323 2.029 20 5 EEBDRM Cc1nccn1-c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000160045504 463316065 /nfs/dbraw/zinc/31/60/65/463316065.db2.gz QMADJGUBJRCISR-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCOc1ccccc1 ZINC000123665195 463359854 /nfs/dbraw/zinc/35/98/54/463359854.db2.gz NLKKRJOPZIEOJE-UHFFFAOYSA-N -1 0 340.332 2.091 20 5 EEBDRM O=C(CCNC(=O)c1cccc([N+](=O)[O-])c1[O-])Nc1ccccc1 ZINC000151583860 463557900 /nfs/dbraw/zinc/55/79/00/463557900.db2.gz RXFPPOZHNUUPCI-UHFFFAOYSA-N -1 0 329.312 2.059 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c([N+](=O)[O-])c1 ZINC000268453576 463749866 /nfs/dbraw/zinc/74/98/66/463749866.db2.gz BIHDFGLZWSCYJQ-UHFFFAOYSA-N -1 0 338.345 2.005 20 5 EEBDRM O=C([O-])CN(CCc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000178140808 463850847 /nfs/dbraw/zinc/85/08/47/463850847.db2.gz OTKKPPLZUASOOO-UHFFFAOYSA-N -1 0 328.324 2.364 20 5 EEBDRM O=C([O-])CCCCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000261979126 463915836 /nfs/dbraw/zinc/91/58/36/463915836.db2.gz HFLPYDNZSMRNDJ-UHFFFAOYSA-N -1 0 333.344 2.311 20 5 EEBDRM O=C(CN1CCCCCC1=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186040666 463926531 /nfs/dbraw/zinc/92/65/31/463926531.db2.gz CIJBOXCBHCNGKM-UHFFFAOYSA-N -1 0 341.751 2.295 20 5 EEBDRM CCCNC(=O)C1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000269258822 463931733 /nfs/dbraw/zinc/93/17/33/463931733.db2.gz ALXOOTLERGLWFO-UHFFFAOYSA-N -1 0 349.387 2.259 20 5 EEBDRM COc1ccc2c(c1)[nH]nc2NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000194833199 463940031 /nfs/dbraw/zinc/94/00/31/463940031.db2.gz GPUMJLZRBRONOD-UHFFFAOYSA-N -1 0 328.284 2.438 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000262093162 463944548 /nfs/dbraw/zinc/94/45/48/463944548.db2.gz CWXACPXJFADXBC-GFCCVEGCSA-N -1 0 347.352 2.311 20 5 EEBDRM CCN(CC(=O)[O-])C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000236979982 464246797 /nfs/dbraw/zinc/24/67/97/464246797.db2.gz QQULJGQIERBBNM-UHFFFAOYSA-N -1 0 349.387 2.378 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000294491130 464515126 /nfs/dbraw/zinc/51/51/26/464515126.db2.gz SBFFAVNPOZXDHC-KIWVEVJHSA-N -1 0 330.340 2.320 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@H](Cc2ccccc2)C1 ZINC000182187339 464593463 /nfs/dbraw/zinc/59/34/63/464593463.db2.gz YWEYDBARSLHQKG-OAHLLOKOSA-N -1 0 342.351 2.384 20 5 EEBDRM O=c1[n-]nc([C@H]2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)o1 ZINC000285747147 464681012 /nfs/dbraw/zinc/68/10/12/464681012.db2.gz ULQMGFGKXDKMJI-JTQLQIEISA-N -1 0 341.327 2.203 20 5 EEBDRM O=C(Nc1cnn(Cc2ccccn2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184605234 465006864 /nfs/dbraw/zinc/00/68/64/465006864.db2.gz UGYHVNBGVHXDLI-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000184660321 465014628 /nfs/dbraw/zinc/01/46/28/465014628.db2.gz QWIXPFYPXPRWHM-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM O=C(NCCN1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184689726 465018497 /nfs/dbraw/zinc/01/84/97/465018497.db2.gz BZZMVHKJPNDUQC-UHFFFAOYSA-N -1 0 347.396 2.150 20 5 EEBDRM CN(CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCSC1 ZINC000351766384 465348058 /nfs/dbraw/zinc/34/80/58/465348058.db2.gz CKOPHHCPZSGXNR-VIFPVBQESA-N -1 0 345.808 2.330 20 5 EEBDRM O=C(N=c1nc(-c2cccnc2)[n-]s1)c1ccccc1[N+](=O)[O-] ZINC000339596293 465372529 /nfs/dbraw/zinc/37/25/29/465372529.db2.gz KOVWDTJAIHOMHQ-UHFFFAOYSA-N -1 0 327.325 2.183 20 5 EEBDRM Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000348438093 465607153 /nfs/dbraw/zinc/60/71/53/465607153.db2.gz FSUVATIZIUFBLH-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM O=C([O-])CCCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000591326932 468448325 /nfs/dbraw/zinc/44/83/25/468448325.db2.gz NUNAZDOCIIUQMD-UHFFFAOYSA-N -1 0 335.360 2.498 20 5 EEBDRM CC(C)C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000362785201 466026167 /nfs/dbraw/zinc/02/61/67/466026167.db2.gz JHFHQRCJIJJJFF-CYBMUJFWSA-N -1 0 347.371 2.413 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2cncc(Cl)c2)ccc1[N+](=O)[O-] ZINC000361607367 466138760 /nfs/dbraw/zinc/13/87/60/466138760.db2.gz NZYKIKFENBRJPS-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccon1 ZINC000340834500 466372497 /nfs/dbraw/zinc/37/24/97/466372497.db2.gz WVSUJJHMSCWOLR-ZETCQYMHSA-N -1 0 331.737 2.276 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000432120569 467217064 /nfs/dbraw/zinc/21/70/64/467217064.db2.gz QQNCHPKEEIJGKI-QWHCGFSZSA-N -1 0 332.356 2.371 20 5 EEBDRM Cc1cc(NCCN2c3ccccc3[N-]S2(=O)=O)ccc1[N+](=O)[O-] ZINC000430536968 467436314 /nfs/dbraw/zinc/43/63/14/467436314.db2.gz YNKDBRGZRNWMEJ-UHFFFAOYSA-N -1 0 348.384 2.492 20 5 EEBDRM O=C(Nc1ccc(Cn2ccnc2)cn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436697781 467550828 /nfs/dbraw/zinc/55/08/28/467550828.db2.gz NPSDWYFYCMYFLS-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cnn1[C@@H]1CCOC1 ZINC000456273317 467709492 /nfs/dbraw/zinc/70/94/92/467709492.db2.gz USZDZYHWSMNHKW-LLVKDONJSA-N -1 0 332.316 2.019 20 5 EEBDRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493273130 467876324 /nfs/dbraw/zinc/87/63/24/467876324.db2.gz WWXQKYOMRFHZFR-XHPSBEMXSA-N -1 0 348.355 2.090 20 5 EEBDRM O=C(/C=C\c1cncc(O)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000493583427 467941787 /nfs/dbraw/zinc/94/17/87/467941787.db2.gz KFJUBRGXKCJDPK-RJRFIUFISA-N -1 0 341.323 2.130 20 5 EEBDRM C[C@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000514677766 467948261 /nfs/dbraw/zinc/94/82/61/467948261.db2.gz ZJHFXVHIJCXSTG-GXSJLCMTSA-N -1 0 342.373 2.008 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C(=O)[O-])c(OC)c1 ZINC000518985049 468133224 /nfs/dbraw/zinc/13/32/24/468133224.db2.gz MMSQEIGKHGGHNL-UHFFFAOYSA-N -1 0 334.332 2.439 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000519535926 468168079 /nfs/dbraw/zinc/16/80/79/468168079.db2.gz ALGTUXIMPBMRJQ-QGZVFWFLSA-N -1 0 345.355 2.461 20 5 EEBDRM O=C(NCCc1ccc2n[nH]cc2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000569704770 468531797 /nfs/dbraw/zinc/53/17/97/468531797.db2.gz ZVHRPROCRKWEGA-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM Cn1nc(C2CCOCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000600425186 468553296 /nfs/dbraw/zinc/55/32/96/468553296.db2.gz MKIVTULJUOYWIC-UHFFFAOYSA-N -1 0 346.343 2.180 20 5 EEBDRM O=C([O-])CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000594465732 468597126 /nfs/dbraw/zinc/59/71/26/468597126.db2.gz GAQISDVIFQTQJP-UHFFFAOYSA-N -1 0 335.360 2.253 20 5 EEBDRM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000597656150 468628558 /nfs/dbraw/zinc/62/85/58/468628558.db2.gz JVHUMGJYBQNYOM-SECBINFHSA-N -1 0 347.293 2.057 20 5 EEBDRM O=C([O-])c1cnc(N2CCN(Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000583207359 468662767 /nfs/dbraw/zinc/66/27/67/468662767.db2.gz OTDMUCVDUYACDO-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM CC(C)Cc1nc(=NC(=O)CN(C)c2ccccc2[N+](=O)[O-])s[n-]1 ZINC000598192108 468791092 /nfs/dbraw/zinc/79/10/92/468791092.db2.gz UEAAAVSMBYVQKP-UHFFFAOYSA-N -1 0 349.416 2.142 20 5 EEBDRM C[C@H]1CC[C@@](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)(C(=O)[O-])CC1 ZINC000595246337 468791490 /nfs/dbraw/zinc/79/14/90/468791490.db2.gz ZQZVGISLWIWZDV-QLKSEXHHSA-N -1 0 346.343 2.234 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(Cc3ccsc3)CC2)n1 ZINC000592967777 468829894 /nfs/dbraw/zinc/82/98/94/468829894.db2.gz AQRYPXFJZSPSCO-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM COCCOC1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000572408967 468929137 /nfs/dbraw/zinc/92/91/37/468929137.db2.gz SQUPCZFOBSQGOY-UHFFFAOYSA-N -1 0 338.360 2.233 20 5 EEBDRM CC1(C)CC(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000593309977 468934922 /nfs/dbraw/zinc/93/49/22/468934922.db2.gz IZTMCVJQVANRTC-UHFFFAOYSA-N -1 0 342.373 2.008 20 5 EEBDRM COCC[C@@H](Cc1ccco1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584844154 468949234 /nfs/dbraw/zinc/94/92/34/468949234.db2.gz ZIYASUAQACRIKW-NSHDSACASA-N -1 0 335.316 2.341 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000595882407 469062483 /nfs/dbraw/zinc/06/24/83/469062483.db2.gz IXBWHBMSBMUNQA-UHFFFAOYSA-N -1 0 349.387 2.419 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000610845412 469087253 /nfs/dbraw/zinc/08/72/53/469087253.db2.gz GDMNIMCOEKDTTH-AWEZNQCLSA-N -1 0 349.387 2.424 20 5 EEBDRM CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000595999493 469111590 /nfs/dbraw/zinc/11/15/90/469111590.db2.gz BSHJHKAXFNXIKF-DTWKUNHWSA-N -1 0 344.751 2.337 20 5 EEBDRM Cc1sc([C@@H]2CCCN2c2c([N+](=O)[O-])ncn2C)nc1C(=O)[O-] ZINC000573375171 469118429 /nfs/dbraw/zinc/11/84/29/469118429.db2.gz PRGALVNRNDUQLF-QMMMGPOBSA-N -1 0 337.361 2.133 20 5 EEBDRM Cc1cc(N2CCO[C@@](C)(C(F)F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000596027369 469121479 /nfs/dbraw/zinc/12/14/79/469121479.db2.gz WVAAHMJFFHMBBZ-CQSZACIVSA-N -1 0 330.287 2.462 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000593753939 469124799 /nfs/dbraw/zinc/12/47/99/469124799.db2.gz CBYBMRXPLUPVDF-IAQYHMDHSA-N -1 0 338.360 2.056 20 5 EEBDRM CON1CCC(N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000563195142 469194280 /nfs/dbraw/zinc/19/42/80/469194280.db2.gz SDEFZOAQTHQXMT-UHFFFAOYSA-N -1 0 343.767 2.052 20 5 EEBDRM Cc1noc(C)c1C[C@@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563203810 469197469 /nfs/dbraw/zinc/19/74/69/469197469.db2.gz IEJYOAAWDVWJMM-SSDOTTSWSA-N -1 0 334.332 2.644 20 5 EEBDRM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000574093885 469258702 /nfs/dbraw/zinc/25/87/02/469258702.db2.gz VXHCVBDXGGQCNX-OCCSQVGLSA-N -1 0 340.401 2.358 20 5 EEBDRM CCC(CC)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000611534595 469273887 /nfs/dbraw/zinc/27/38/87/469273887.db2.gz IALWPGZQHGXEPD-UHFFFAOYSA-N -1 0 349.387 2.021 20 5 EEBDRM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000612386749 469453143 /nfs/dbraw/zinc/45/31/43/469453143.db2.gz YUXOSDGLJZGQPB-LLVKDONJSA-N -1 0 336.250 2.442 20 5 EEBDRM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000614270320 469896917 /nfs/dbraw/zinc/89/69/17/469896917.db2.gz JHPCVWJWLRNCKF-SMDDNHRTSA-N -1 0 330.340 2.195 20 5 EEBDRM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000618250176 469940131 /nfs/dbraw/zinc/94/01/31/469940131.db2.gz QWXMPAUXBZEAIE-LBPRGKRZSA-N -1 0 328.324 2.293 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000165463680 534520207 /nfs/dbraw/zinc/52/02/07/534520207.db2.gz HYTGRIULYQGSKC-SNVBAGLBSA-N -1 0 326.736 2.114 20 5 EEBDRM CCCNC(=O)C1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCCC1 ZINC000183541762 528332264 /nfs/dbraw/zinc/33/22/64/528332264.db2.gz YOXXZUMFYUUWMO-UHFFFAOYSA-N -1 0 349.387 2.259 20 5 EEBDRM CC(C)(NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nccs1 ZINC000236678864 535237291 /nfs/dbraw/zinc/23/72/91/535237291.db2.gz USBYHAZVXZJOLH-UHFFFAOYSA-N -1 0 335.341 2.415 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000356586455 535284087 /nfs/dbraw/zinc/28/40/87/535284087.db2.gz CYTQTIPKCLFPMO-DGCLKSJQSA-N -1 0 349.387 2.114 20 5 EEBDRM Cc1c(C(=O)NC(C)(C)CC(=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738260022 578006509 /nfs/dbraw/zinc/00/65/09/578006509.db2.gz XZJGZHUJVLGHGV-UHFFFAOYSA-N -1 0 339.304 2.103 20 5 EEBDRM Cc1cc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)c2ccccc2n1 ZINC000738397743 578012732 /nfs/dbraw/zinc/01/27/32/578012732.db2.gz YGRASRSPOCTDOD-UHFFFAOYSA-N -1 0 339.307 2.360 20 5 EEBDRM Cc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c(C(=O)[O-])[nH]1 ZINC000738453078 578015807 /nfs/dbraw/zinc/01/58/07/578015807.db2.gz VWSOPYGWBRAFBB-UHFFFAOYSA-N -1 0 329.272 2.058 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000732907032 577196924 /nfs/dbraw/zinc/19/69/24/577196924.db2.gz DQJIUKJSLOUXAK-SNVBAGLBSA-N -1 0 344.389 2.099 20 5 EEBDRM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772945265 577306951 /nfs/dbraw/zinc/30/69/51/577306951.db2.gz CLUUFDCWZWZELB-UHFFFAOYSA-N -1 0 347.283 2.017 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000774096728 577383116 /nfs/dbraw/zinc/38/31/16/577383116.db2.gz SKTLRMGZBNIOPX-SNVBAGLBSA-N -1 0 344.389 2.099 20 5 EEBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000777402197 577478154 /nfs/dbraw/zinc/47/81/54/577478154.db2.gz XXPXIMBBSMPLHI-LLVKDONJSA-N -1 0 335.360 2.140 20 5 EEBDRM Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])nc2cc(F)ccc21 ZINC000769073010 577568815 /nfs/dbraw/zinc/56/88/15/577568815.db2.gz NAYIVDAYHITVFT-UHFFFAOYSA-N -1 0 344.302 2.256 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000755777745 577831033 /nfs/dbraw/zinc/83/10/33/577831033.db2.gz HDUFXOAZXGTPBF-SNVBAGLBSA-N -1 0 344.389 2.099 20 5 EEBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000742346466 577871429 /nfs/dbraw/zinc/87/14/29/577871429.db2.gz LGCQIKKQIGAQQJ-UHFFFAOYSA-N -1 0 332.687 2.479 20 5 EEBDRM CC1=C(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000747251330 577941756 /nfs/dbraw/zinc/94/17/56/577941756.db2.gz UXSHJJQXDMFWHN-UHFFFAOYSA-N -1 0 338.385 2.084 20 5 EEBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)CC(C)C)cc1[N+](=O)[O-] ZINC000749077279 577970908 /nfs/dbraw/zinc/97/09/08/577970908.db2.gz FSUBOWAMUODDJQ-UHFFFAOYSA-N -1 0 332.403 2.032 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000738621070 578021640 /nfs/dbraw/zinc/02/16/40/578021640.db2.gz HDGDIGPXCLVHJL-UHFFFAOYSA-N -1 0 348.286 2.379 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738746878 578025629 /nfs/dbraw/zinc/02/56/29/578025629.db2.gz NFZSQPFMQCXXBA-GFCCVEGCSA-N -1 0 347.371 2.028 20 5 EEBDRM O=C([O-])[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000739616135 578061084 /nfs/dbraw/zinc/06/10/84/578061084.db2.gz YYLLRVKLAPAWKT-INIZCTEOSA-N -1 0 328.324 2.490 20 5 EEBDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000736367774 578199221 /nfs/dbraw/zinc/19/92/21/578199221.db2.gz LOZYCTQOZOTHCD-CQSZACIVSA-N -1 0 337.376 2.326 20 5 EEBDRM CCOc1ccc(NC(=O)CSC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000737203584 578243526 /nfs/dbraw/zinc/24/35/26/578243526.db2.gz PLWBGUZSOLKRLN-SECBINFHSA-N -1 0 342.373 2.386 20 5 EEBDRM CN1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 ZINC000737514941 578261804 /nfs/dbraw/zinc/26/18/04/578261804.db2.gz FJKNEIOPSLOCTJ-UHFFFAOYSA-N -1 0 341.323 2.390 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000819385603 597051803 /nfs/dbraw/zinc/05/18/03/597051803.db2.gz ZIXJLKVVLQKZQR-NSHDSACASA-N -1 0 347.371 2.178 20 5 EEBDRM CN(CC(=O)OCc1occc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000830702406 600726177 /nfs/dbraw/zinc/72/61/77/600726177.db2.gz RFTVYQZYXAHYDO-UHFFFAOYSA-N -1 0 334.284 2.066 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000833113118 601192247 /nfs/dbraw/zinc/19/22/47/601192247.db2.gz NRSYELDVPYYQLT-RYUDHWBXSA-N -1 0 335.312 2.212 20 5 EEBDRM Nc1c(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000833090157 601281499 /nfs/dbraw/zinc/28/14/99/601281499.db2.gz PQNYOPGRQPTIEB-UHFFFAOYSA-N -1 0 345.311 2.283 20 5 EEBDRM CCC1(CNc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829065514 601382387 /nfs/dbraw/zinc/38/23/87/601382387.db2.gz MWSOBNWRTFKPRG-SNVBAGLBSA-N -1 0 335.360 2.400 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCc1cscn1 ZINC000833308697 601445530 /nfs/dbraw/zinc/44/55/30/601445530.db2.gz ZQYDNXMPIHTANU-UHFFFAOYSA-N -1 0 338.301 2.312 20 5 EEBDRM C[C@H](C[C@H](O)c1ccco1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827406510 602086229 /nfs/dbraw/zinc/08/62/29/602086229.db2.gz WNWDPEJZZQVCEA-RNCFNFMXSA-N -1 0 348.311 2.128 20 5 EEBDRM O=C([O-])C=Cc1ccc(N[C@@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000833197236 602160514 /nfs/dbraw/zinc/16/05/14/602160514.db2.gz NERUJUQLWQKISH-DBGMKRSLSA-N -1 0 328.328 2.385 20 5 EEBDRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000827324149 602275271 /nfs/dbraw/zinc/27/52/71/602275271.db2.gz ABXUSUWWHOOHMJ-BDAKNGLRSA-N -1 0 349.299 2.360 20 5 EEBDRM CCC(=O)N1CC[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000828562257 602326411 /nfs/dbraw/zinc/32/64/11/602326411.db2.gz MVPONFCVZXOVNJ-FVOPLDGLSA-N -1 0 333.344 2.115 20 5 EEBDRM C[C@@H]1COCCN1CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000828508663 604263033 /nfs/dbraw/zinc/26/30/33/604263033.db2.gz IIZSEZNTIQPLHZ-SECBINFHSA-N -1 0 343.767 2.079 20 5 EEBDRM C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827586478 604361863 /nfs/dbraw/zinc/36/18/63/604361863.db2.gz NNENTFCYBINYPU-SNVBAGLBSA-N -1 0 344.323 2.360 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H](O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000833782733 604534539 /nfs/dbraw/zinc/53/45/39/604534539.db2.gz QPUPACCMBFZIMH-CYBMUJFWSA-N -1 0 348.267 2.314 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833422223 605076643 /nfs/dbraw/zinc/07/66/43/605076643.db2.gz BKDXVGJEYISRKG-JTQLQIEISA-N -1 0 346.286 2.425 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cs1 ZINC000120077569 674586349 /nfs/dbraw/zinc/58/63/49/674586349.db2.gz MBULFJRNTBHQQW-UHFFFAOYSA-N -1 0 329.315 2.365 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cnn1C ZINC000176973691 679793955 /nfs/dbraw/zinc/79/39/55/679793955.db2.gz IDIVKDDNNIFFEP-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCC(C(=O)[O-])CC1 ZINC000263392724 689767741 /nfs/dbraw/zinc/76/77/41/689767741.db2.gz GUIBUYYMHWTUSG-UHFFFAOYSA-N -1 0 342.373 2.054 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000794863491 1198356281 /nfs/dbraw/zinc/35/62/81/1198356281.db2.gz HZRBXQYXKKKJEE-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM O=C(NC[C@H]1COc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779645881 1210696396 /nfs/dbraw/zinc/69/63/96/1210696396.db2.gz QAQXKXOKEYNBAC-NSHDSACASA-N -1 0 328.324 2.282 20 5 EEBDRM O=C([O-])c1cncc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000903885784 1242320707 /nfs/dbraw/zinc/32/07/07/1242320707.db2.gz RYTXSRSFZJBKEU-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM Cc1cc(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)ncc1[N+](=O)[O-] ZINC000853989604 1292571984 /nfs/dbraw/zinc/57/19/84/1292571984.db2.gz PLEMOSVAKGEVQA-SCZZXKLOSA-N -1 0 346.309 2.192 20 5 EEBDRM O=C([N-][C@@H](CCO)C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000854617185 1292887974 /nfs/dbraw/zinc/88/79/74/1292887974.db2.gz HGHVJIWJFNRBBF-VIFPVBQESA-N -1 0 342.220 2.116 20 5 EEBDRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC001211288270 1295801325 /nfs/dbraw/zinc/80/13/25/1295801325.db2.gz NPJDESXKGYLPON-UHFFFAOYSA-N -1 0 349.368 2.472 20 5 EEBDRM Cc1ccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001213672369 1296133560 /nfs/dbraw/zinc/13/35/60/1296133560.db2.gz AOORQOIIUMAHHA-UHFFFAOYSA-N -1 0 329.312 2.461 20 5 EEBDRM COc1ccc(-c2noc(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)n2)nc1 ZINC001216837295 1297309305 /nfs/dbraw/zinc/30/93/05/1297309305.db2.gz VNKWXEOFDIYXMC-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(OC(C(C)C)C(C)C)c1[N+](=O)[O-] ZINC001226019525 1301234679 /nfs/dbraw/zinc/23/46/79/1301234679.db2.gz BXVFQVNTIUYJQY-UHFFFAOYSA-N -1 0 327.337 2.327 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2C[C@@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC001226020216 1301235783 /nfs/dbraw/zinc/23/57/83/1301235783.db2.gz HIJXDZIKKVRMJB-IVZWLZJFSA-N -1 0 339.348 2.471 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2C[C@@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001226020219 1301235913 /nfs/dbraw/zinc/23/59/13/1301235913.db2.gz HIJXDZIKKVRMJB-LPEHRKFASA-N -1 0 339.348 2.471 20 5 EEBDRM O=C([O-])CC[C@@H](O)C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001226203500 1301297864 /nfs/dbraw/zinc/29/78/64/1301297864.db2.gz GVZQBGWUZXVNML-MRVPVSSYSA-N -1 0 338.099 2.033 20 5 EEBDRM CCCCOC[C@@H](C)OC[C@H](C)Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226335671 1301363059 /nfs/dbraw/zinc/36/30/59/1301363059.db2.gz KMGFPNHQSRUPPC-MNOVXSKESA-N -1 0 329.353 2.080 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC001226649985 1301493521 /nfs/dbraw/zinc/49/35/21/1301493521.db2.gz MOCWWXQAWUDVDK-MRVPVSSYSA-N -1 0 325.321 2.225 20 5 EEBDRM CCCCOC(=O)[C@H](C)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095428 1301685465 /nfs/dbraw/zinc/68/54/65/1301685465.db2.gz JFIOMKMTPVHLOB-VIFPVBQESA-N -1 0 335.316 2.354 20 5 EEBDRM CC(C)CCOC(=O)[C@H](C)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228609630 1302335779 /nfs/dbraw/zinc/33/57/79/1302335779.db2.gz FYBQKYALLOGDHU-VIFPVBQESA-N -1 0 339.348 2.324 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(OC4CN(C(C)C)C4)c3nc2cc1C ZINC001228686770 1302380954 /nfs/dbraw/zinc/38/09/54/1302380954.db2.gz PUSPDZYWHGZYNC-UHFFFAOYSA-N -1 0 339.399 2.367 20 5 EEBDRM Cc1nc(O[C@H](C(=O)OC(C)(C)C)C(C)C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229383031 1302755279 /nfs/dbraw/zinc/75/52/79/1302755279.db2.gz YNZABDPRPRYHEL-JTQLQIEISA-N -1 0 327.337 2.144 20 5 EEBDRM O=C([O-])CC[C@@H](O)C(=O)Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC001230939480 1303554063 /nfs/dbraw/zinc/55/40/63/1303554063.db2.gz PJKBYYDEMNXRHI-OAHLLOKOSA-N -1 0 345.307 2.393 20 5 EEBDRM C[C@@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000781845594 1303878922 /nfs/dbraw/zinc/87/89/22/1303878922.db2.gz UYVRPINZKYVDJP-NCXKZPMSSA-N -1 0 342.348 2.285 20 5 EEBDRM CC(C)[C@@H](F)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000784480634 1304486998 /nfs/dbraw/zinc/48/69/98/1304486998.db2.gz MCYRMNFYTSHCBS-SNVBAGLBSA-N -1 0 338.744 2.047 20 5 EEBDRM O=[N+]([O-])c1cc2nc(OC3CCS(=O)(=O)CC3)[nH]c2cc1Cl ZINC001233501039 1304486233 /nfs/dbraw/zinc/48/62/33/1304486233.db2.gz WWENZABBCYKQEM-UHFFFAOYSA-N -1 0 345.764 2.081 20 5 EEBDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000797061459 1304632647 /nfs/dbraw/zinc/63/26/47/1304632647.db2.gz KBTQRQFYPMRLHE-JTQLQIEISA-N -1 0 328.390 2.117 20 5 EEBDRM CCc1occc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000797559296 1304774090 /nfs/dbraw/zinc/77/40/90/1304774090.db2.gz LCXRBRMOKUBSSM-UHFFFAOYSA-N -1 0 342.304 2.008 20 5 EEBDRM CC[C@H](O)C(=O)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234743064 1305018004 /nfs/dbraw/zinc/01/80/04/1305018004.db2.gz XHWCHXOETSFKKY-JTQLQIEISA-N -1 0 330.292 2.034 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C2CCCC2)cccc1[N+](=O)[O-] ZINC000842406097 1315698547 /nfs/dbraw/zinc/69/85/47/1315698547.db2.gz PZXYROXJTOBMDQ-UHFFFAOYSA-N -1 0 326.374 2.039 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000842404925 1315698619 /nfs/dbraw/zinc/69/86/19/1315698619.db2.gz CDAAANFIARHYLK-GFCCVEGCSA-N -1 0 338.385 2.206 20 5 EEBDRM Nc1ccc(Nc2nc[n-]c(=O)c2Br)cc1[N+](=O)[O-] ZINC001209934042 1325104253 /nfs/dbraw/zinc/10/42/53/1325104253.db2.gz AFNYSJULRAIYFD-UHFFFAOYSA-N -1 0 326.110 2.179 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001601006798 1350187687 /nfs/dbraw/zinc/18/76/87/1350187687.db2.gz KPWHFDCVSURPAT-SSDOTTSWSA-N -1 0 348.281 2.038 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Br)C[C@@H]21 ZINC001602205049 1350465184 /nfs/dbraw/zinc/46/51/84/1350465184.db2.gz SLZBUFDEIROCOV-IAZYJMLFSA-N -1 0 341.161 2.120 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001605059643 1351068961 /nfs/dbraw/zinc/06/89/61/1351068961.db2.gz FRAQKOLVVFVKKY-CXAGYDPISA-N -1 0 334.372 2.487 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCCC[C@H]1C(=O)[O-] ZINC001607709629 1351543765 /nfs/dbraw/zinc/54/37/65/1351543765.db2.gz MKAQWEHMFVIDFB-AWEZNQCLSA-N -1 0 335.360 2.171 20 5 EEBDRM CN(C)c1nc2c(s1)CN(Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC001308047774 1331559641 /nfs/dbraw/zinc/55/96/41/1331559641.db2.gz HONWVPHLZMGOKU-UHFFFAOYSA-N -1 0 334.401 2.381 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001608600221 1351723668 /nfs/dbraw/zinc/72/36/68/1351723668.db2.gz XKQHEEMRCWWTJY-FCHSOHFDSA-N -1 0 343.339 2.401 20 5 EEBDRM O=C([O-])CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001608664750 1351737216 /nfs/dbraw/zinc/73/72/16/1351737216.db2.gz IUYHFPFZRIIJDJ-UHFFFAOYSA-N -1 0 344.279 2.227 20 5 EEBDRM O=C([O-])CC1CC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC001608692600 1351742800 /nfs/dbraw/zinc/74/28/00/1351742800.db2.gz PQEPDKTVTMNWQT-UHFFFAOYSA-N -1 0 344.270 2.179 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC001608697838 1351744521 /nfs/dbraw/zinc/74/45/21/1351744521.db2.gz KCIKQPSPMJHKKO-UHFFFAOYSA-N -1 0 331.328 2.403 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cc3c(cn2)OCCC3)cc1[N+](=O)[O-] ZINC001609026481 1351818517 /nfs/dbraw/zinc/81/85/17/1351818517.db2.gz JLQBNNCXHGXMHG-UHFFFAOYSA-N -1 0 344.279 2.232 20 5 EEBDRM CC1(C)C[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C(=O)O1 ZINC001609816248 1352092216 /nfs/dbraw/zinc/09/22/16/1352092216.db2.gz HDWVQYAMGKJTNL-VIFPVBQESA-N -1 0 328.708 2.452 20 5 EEBDRM CC[C@H](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001609898885 1352114162 /nfs/dbraw/zinc/11/41/62/1352114162.db2.gz HJYDMVWCNPJLNE-UWVGGRQHSA-N -1 0 344.389 2.396 20 5 EEBDRM CC[C@@H](CCO)CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001609920284 1352119805 /nfs/dbraw/zinc/11/98/05/1352119805.db2.gz UOUSEMICYRIWTP-JTQLQIEISA-N -1 0 339.348 2.132 20 5 EEBDRM Cc1c(CCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cnn1C ZINC001610419274 1352219415 /nfs/dbraw/zinc/21/94/15/1352219415.db2.gz KVQDYTNRKVZHAN-UHFFFAOYSA-N -1 0 346.343 2.215 20 5 EEBDRM Cc1c(NC(=O)N(C[C@@H](C)O)C(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610421023 1352219902 /nfs/dbraw/zinc/21/99/02/1352219902.db2.gz VADPRDXZMIPKCC-SECBINFHSA-N -1 0 339.348 2.225 20 5 EEBDRM Cc1cc(N2CC[C@H](Nc3ncccn3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610468170 1352227816 /nfs/dbraw/zinc/22/78/16/1352227816.db2.gz MWUGLORYAJVGMY-NSHDSACASA-N -1 0 343.343 2.082 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001610480187 1352229870 /nfs/dbraw/zinc/22/98/70/1352229870.db2.gz TVAJZMXGMBHZGD-AAEUAGOBSA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1sc(S(=O)(=O)Oc2ccsc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001610593443 1352250878 /nfs/dbraw/zinc/25/08/78/1352250878.db2.gz OXIQLZBSJITSKY-UHFFFAOYSA-N -1 0 349.367 2.492 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC001610795846 1352276108 /nfs/dbraw/zinc/27/61/08/1352276108.db2.gz ZGVOYITVVMSFGO-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCc2ccc(-c3nn[nH]n3)cc21 ZINC001593482409 1349813995 /nfs/dbraw/zinc/81/39/95/1349813995.db2.gz RWEZFDMBXXCNTL-UHFFFAOYSA-N -1 0 338.327 2.043 20 5 EEBDRM Cc1c(NC(=O)N(C)[C@H](C)C(C)(C)O)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600035687 1349959258 /nfs/dbraw/zinc/95/92/58/1349959258.db2.gz UQMNAYTWAWVHBI-SECBINFHSA-N -1 0 339.348 2.225 20 5 EEBDRM Cc1c(NC(=O)NCc2ncc(C(=O)[O-])s2)cccc1[N+](=O)[O-] ZINC001600043990 1349960894 /nfs/dbraw/zinc/96/08/94/1349960894.db2.gz FSABRZRKVLLKGO-UHFFFAOYSA-N -1 0 336.329 2.380 20 5 EEBDRM Cc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC001600092801 1349970010 /nfs/dbraw/zinc/97/00/10/1349970010.db2.gz BSQMZBRJTUPUTF-UHFFFAOYSA-N -1 0 333.300 2.036 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)n1 ZINC001600304573 1350015778 /nfs/dbraw/zinc/01/57/78/1350015778.db2.gz ZNQUAAFWNZCDRN-OAHLLOKOSA-N -1 0 343.339 2.471 20 5 EEBDRM Cc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001600339763 1350024432 /nfs/dbraw/zinc/02/44/32/1350024432.db2.gz BEWJRAWOXXZLLN-UHFFFAOYSA-N -1 0 344.323 2.410 20 5 EEBDRM Cc1ccc([C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])cc1C ZINC001600385702 1350036674 /nfs/dbraw/zinc/03/66/74/1350036674.db2.gz XOMICLJRVCCRKM-OAHLLOKOSA-N -1 0 343.339 2.350 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1C ZINC001600486714 1350063092 /nfs/dbraw/zinc/06/30/92/1350063092.db2.gz GJTREJBKBCSWJB-UHFFFAOYSA-N -1 0 346.343 2.480 20 5 EEBDRM Cc1csc(C(=O)[O-])c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC001600655757 1350108821 /nfs/dbraw/zinc/10/88/21/1350108821.db2.gz SBPSJONTZOCARV-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1nc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cs1 ZINC001600701554 1350118446 /nfs/dbraw/zinc/11/84/46/1350118446.db2.gz BYKVJCODXUMHPO-UHFFFAOYSA-N -1 0 337.357 2.113 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001600903612 1350163888 /nfs/dbraw/zinc/16/38/88/1350163888.db2.gz HQBHTGATSUNJEA-UHFFFAOYSA-N -1 0 331.328 2.297 20 5 EEBDRM Cn1cc(-c2cc(COc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)on2)cn1 ZINC001600923967 1350169869 /nfs/dbraw/zinc/16/98/69/1350169869.db2.gz XZQMSNJZZNBYFV-UHFFFAOYSA-N -1 0 344.283 2.261 20 5 EEBDRM Cn1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C(F)F)n1 ZINC001600930260 1350171303 /nfs/dbraw/zinc/17/13/03/1350171303.db2.gz PMXOVUWMKUDZIS-UHFFFAOYSA-N -1 0 340.242 2.216 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001601215177 1350233088 /nfs/dbraw/zinc/23/30/88/1350233088.db2.gz YZBSAXZEBKYTDZ-SNVBAGLBSA-N -1 0 341.323 2.396 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001601218040 1350234078 /nfs/dbraw/zinc/23/40/78/1350234078.db2.gz VDEZLHOIHYOGSM-UHFFFAOYSA-N -1 0 341.323 2.074 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001601349100 1350263535 /nfs/dbraw/zinc/26/35/35/1350263535.db2.gz JZOCEEMCYBBKOP-BMIGLBTASA-N -1 0 336.369 2.153 20 5 EEBDRM O=C([O-])[C@H]1[C@H](O)CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001601750547 1350356068 /nfs/dbraw/zinc/35/60/68/1350356068.db2.gz DRHLBJMQGKFOGS-GDBMZVCRSA-N -1 0 346.339 2.265 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001601855812 1350381196 /nfs/dbraw/zinc/38/11/96/1350381196.db2.gz KYTVHUOVGDKVQD-QMMMGPOBSA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccncc1 ZINC001601903539 1350393855 /nfs/dbraw/zinc/39/38/55/1350393855.db2.gz AXIGXFZVUPCMFZ-GFCCVEGCSA-N -1 0 333.275 2.075 20 5 EEBDRM O=C([O-])CCCCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001601986187 1350411727 /nfs/dbraw/zinc/41/17/27/1350411727.db2.gz MMRJKGZOUURQIU-UHFFFAOYSA-N -1 0 335.309 2.088 20 5 EEBDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC001602110144 1350440927 /nfs/dbraw/zinc/44/09/27/1350440927.db2.gz TWHXATMZKSSDKK-YPMHNXCESA-N -1 0 345.355 2.309 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC001602404900 1350511809 /nfs/dbraw/zinc/51/18/09/1350511809.db2.gz IUMOOLNEKPVCHF-CYBMUJFWSA-N -1 0 348.277 2.040 20 5 EEBDRM O=C([O-])c1sccc1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC001602596740 1350553722 /nfs/dbraw/zinc/55/37/22/1350553722.db2.gz GDYWRJDBUUDFIK-UHFFFAOYSA-N -1 0 334.353 2.443 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001602606508 1350555818 /nfs/dbraw/zinc/55/58/18/1350555818.db2.gz MIFCWHMEGKUYNU-VNHYZAJKSA-N -1 0 342.307 2.343 20 5 EEBDRM CC(C)CC[C@@H](CO)Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001603278775 1350677756 /nfs/dbraw/zinc/67/77/56/1350677756.db2.gz WDGKWZTZOPEKKO-QMMMGPOBSA-N -1 0 326.382 2.045 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(OCC(=O)[O-])cc1 ZINC001604315545 1350913747 /nfs/dbraw/zinc/91/37/47/1350913747.db2.gz WMFUMQOYWVICMV-VIFPVBQESA-N -1 0 334.284 2.142 20 5 EEBDRM CC1=C(C(=O)[O-])C[C@@H](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)O1 ZINC001604613835 1350970369 /nfs/dbraw/zinc/97/03/69/1350970369.db2.gz RLJJYYGWYFBWFP-JTQLQIEISA-N -1 0 330.300 2.001 20 5 EEBDRM C[C@@H]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC001604757945 1350998150 /nfs/dbraw/zinc/99/81/50/1350998150.db2.gz NMVLHHLUAQBQIG-LLVKDONJSA-N -1 0 349.387 2.282 20 5 EEBDRM CC[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001605027726 1351059418 /nfs/dbraw/zinc/05/94/18/1351059418.db2.gz FEHHHICLVKKGQF-SECBINFHSA-N -1 0 344.751 2.244 20 5 EEBDRM CCC[C@](C)(NC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001605197491 1351100543 /nfs/dbraw/zinc/10/05/43/1351100543.db2.gz AQDQUBFDHQHTQE-AWEZNQCLSA-N -1 0 326.374 2.447 20 5 EEBDRM CCC[C@@H](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001605207200 1351103103 /nfs/dbraw/zinc/10/31/03/1351103103.db2.gz WELPSHRILBGEPB-SNVBAGLBSA-N -1 0 344.389 2.398 20 5 EEBDRM CCNC(=O)c1cccc(Oc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001605496928 1351171684 /nfs/dbraw/zinc/17/16/84/1351171684.db2.gz CWGSNPNSUJAEEB-UHFFFAOYSA-N -1 0 331.284 2.230 20 5 EEBDRM CO[C@@](C)([C@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC001606658383 1351338256 /nfs/dbraw/zinc/33/82/56/1351338256.db2.gz OSUNBOKXAMIIKB-FVMDXXJSSA-N -1 0 336.344 2.226 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC001606834232 1351363991 /nfs/dbraw/zinc/36/39/91/1351363991.db2.gz LSIWTKASQGEEMK-INIZCTEOSA-N -1 0 331.328 2.213 20 5 EEBDRM COc1cccc([C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001607330968 1351475982 /nfs/dbraw/zinc/47/59/82/1351475982.db2.gz DWTWXWNDCIPNAY-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM CSc1cccc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001607411736 1351490510 /nfs/dbraw/zinc/49/05/10/1351490510.db2.gz ONLXSTJHYHBWFE-OLBFVZFUSA-N -1 0 336.369 2.300 20 5 EEBDRM Cn1nc2c(c1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)CCCC2 ZINC001608151079 1351636366 /nfs/dbraw/zinc/63/63/66/1351636366.db2.gz ATNWGLHSWHPKOD-UHFFFAOYSA-N -1 0 345.311 2.125 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC001608360926 1351678546 /nfs/dbraw/zinc/67/85/46/1351678546.db2.gz UBWPIROBWGKEJU-CYBMUJFWSA-N -1 0 338.316 2.280 20 5 EEBDRM C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000177712218 1405762181 /nfs/dbraw/zinc/76/21/81/1405762181.db2.gz YXHBCOORJXVOQJ-MNOVXSKESA-N -1 0 326.374 2.226 20 5 EEBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000785079713 759932350 /nfs/dbraw/zinc/93/23/50/759932350.db2.gz XAPILMYBOXRKBK-NXEZZACHSA-N -1 0 346.430 2.320 20 5 EEBDRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000920324957 770675363 /nfs/dbraw/zinc/67/53/63/770675363.db2.gz WRHSDCAVGVTVAQ-UITAMQMPSA-N -1 0 330.337 2.285 20 5 EEBDRM O=C([O-])CC1(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000817572448 784843218 /nfs/dbraw/zinc/84/32/18/784843218.db2.gz YUIJMTPSDVHHJS-UHFFFAOYSA-N -1 0 337.288 2.477 20 5 EEBDRM CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC000844158329 788903869 /nfs/dbraw/zinc/90/38/69/788903869.db2.gz MTBZTDZQXYWZNI-LLVKDONJSA-N -1 0 335.360 2.036 20 5 EEBDRM O=C([O-])c1ccnc(N[C@H](CCO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000844217770 788906396 /nfs/dbraw/zinc/90/63/96/788906396.db2.gz MEYJBGTUKNTXDD-GFCCVEGCSA-N -1 0 331.328 2.094 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@H]2CSCCS2)c([N+](=O)[O-])c1 ZINC000844211757 788929954 /nfs/dbraw/zinc/92/99/54/788929954.db2.gz XJFXYAMUBNAOTO-JTQLQIEISA-N -1 0 328.415 2.482 20 5 EEBDRM CCc1ccc([C@@H](O)CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000844212951 788930843 /nfs/dbraw/zinc/93/08/43/788930843.db2.gz QSEFUUSOGXPIEG-AWEZNQCLSA-N -1 0 331.328 2.396 20 5 EEBDRM Cc1cc(C)cc([C@@H](O)CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000844212355 788930971 /nfs/dbraw/zinc/93/09/71/788930971.db2.gz GZRVOEHXWUEWBQ-AWEZNQCLSA-N -1 0 331.328 2.450 20 5 EEBDRM O=C([O-])c1ccc(NC2(CO)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC001171211612 790054387 /nfs/dbraw/zinc/05/43/87/790054387.db2.gz NKTWTYCGPABERN-UHFFFAOYSA-N -1 0 328.324 2.235 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C(=O)[O-])O1 ZINC000846295143 790121804 /nfs/dbraw/zinc/12/18/04/790121804.db2.gz SAFIYHPAFYNYGA-RDDDGLTNSA-N -1 0 334.250 2.292 20 5 EEBDRM CCOC(=O)c1ncc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001174503482 797784074 /nfs/dbraw/zinc/78/40/74/797784074.db2.gz BQMZDLAVMUMAIR-UHFFFAOYSA-N -1 0 332.272 2.003 20 5 EEBDRM O=C([O-])CCc1cccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001602043649 971128531 /nfs/dbraw/zinc/12/85/31/971128531.db2.gz GZNVXDCEXZQVSL-MRXNPFEDSA-N -1 0 344.323 2.284 20 5 EEBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC001589597490 949172102 /nfs/dbraw/zinc/17/21/02/949172102.db2.gz DSQRBMGNRILXOE-MRXNPFEDSA-N -1 0 335.360 2.202 20 5 EEBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)C1 ZINC001589604647 949230791 /nfs/dbraw/zinc/23/07/91/949230791.db2.gz XBIOWBWHBHPSEM-MRXNPFEDSA-N -1 0 335.360 2.354 20 5 EEBDRM O=C([O-])c1ccc(/C=C/C(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC001595226593 949303503 /nfs/dbraw/zinc/30/35/03/949303503.db2.gz MESAEFNFZRCEMR-ZZXKWVIFSA-N -1 0 328.280 2.489 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001595270658 949824124 /nfs/dbraw/zinc/82/41/24/949824124.db2.gz HEUNQQRCAPYZCY-UONOGXRCSA-N -1 0 327.296 2.430 20 5 EEBDRM O=C([O-])c1ccccc1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001594762952 953514742 /nfs/dbraw/zinc/51/47/42/953514742.db2.gz DREUSYPOWCLXBL-UHFFFAOYSA-N -1 0 343.339 2.335 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001589298286 953666659 /nfs/dbraw/zinc/66/66/59/953666659.db2.gz LNKFOGPZLQQIPJ-JQWIXIFHSA-N -1 0 338.335 2.378 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC001594793248 953698917 /nfs/dbraw/zinc/69/89/17/953698917.db2.gz DOKROYVBUNMHBG-TXEJJXNPSA-N -1 0 333.344 2.132 20 5 EEBDRM C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001589049499 955645379 /nfs/dbraw/zinc/64/53/79/955645379.db2.gz CIAYGMOQGFMTSA-NWDGAFQWSA-N -1 0 335.360 2.205 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433621 958245581 /nfs/dbraw/zinc/24/55/81/958245581.db2.gz VQJKDHFWXKRTOQ-GFCCVEGCSA-N -1 0 344.165 2.443 20 5 EEBDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC001588627280 959589489 /nfs/dbraw/zinc/58/94/89/959589489.db2.gz HYDMTPCIURPJFK-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM CC(C)C[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001588882259 962160512 /nfs/dbraw/zinc/16/05/12/962160512.db2.gz ZWKUERMQCWYJAE-CYBMUJFWSA-N -1 0 336.344 2.173 20 5 EEBDRM O=C([O-])/C=C/c1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)co1 ZINC001574665546 962503111 /nfs/dbraw/zinc/50/31/11/962503111.db2.gz HVYGSVUIGWIVFY-ONEGZZNKSA-N -1 0 328.280 2.489 20 5 EEBDRM O=C([O-])C[C@H]1CCCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001574680263 962580206 /nfs/dbraw/zinc/58/02/06/962580206.db2.gz XMMKGMJJNPTWFS-LLVKDONJSA-N -1 0 333.344 2.313 20 5 EEBDRM C[C@@H](C(=O)[O-])C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC001609705871 970477752 /nfs/dbraw/zinc/47/77/52/970477752.db2.gz IISJEGOJPBAEHA-LURJTMIESA-N -1 0 332.106 2.121 20 5 EEBDRM COC(=O)/C=C/c1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001604292358 972912280 /nfs/dbraw/zinc/91/22/80/972912280.db2.gz JKSWUTOFUXMTLS-HNFQPOCMSA-N -1 0 334.328 2.446 20 5 EEBDRM CC(C)Oc1cnccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001591809297 976033655 /nfs/dbraw/zinc/03/36/55/976033655.db2.gz DKFCZGCABQLNAO-UHFFFAOYSA-N -1 0 345.311 2.149 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1[N+](=O)[O-] ZINC001591920809 976389305 /nfs/dbraw/zinc/38/93/05/976389305.db2.gz GGOSVOXGLJJUKH-SNVBAGLBSA-N -1 0 338.364 2.158 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC001592309544 977679537 /nfs/dbraw/zinc/67/95/37/977679537.db2.gz VHMJQGIFPSZYKD-INIZCTEOSA-N -1 0 329.312 2.110 20 5 EEBDRM CC[C@H](COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC001595182492 979806376 /nfs/dbraw/zinc/80/63/76/979806376.db2.gz HGGGBFKZKGMKHR-SNVBAGLBSA-N -1 0 333.300 2.048 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001599960357 985769720 /nfs/dbraw/zinc/76/97/20/985769720.db2.gz JUTFYYHGPUIFCR-VIFPVBQESA-N -1 0 331.328 2.463 20 5 EEBDRM C[C@@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C[C@H](C)S1 ZINC001594539336 986170054 /nfs/dbraw/zinc/17/00/54/986170054.db2.gz RDQUOIRPDNYESS-PHIMTYICSA-N -1 0 340.401 2.384 20 5 EEBDRM C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001589368898 986405363 /nfs/dbraw/zinc/40/53/63/986405363.db2.gz MGXFBGMYESDRHP-WKPIXPDZSA-N -1 0 332.356 2.268 20 5 EEBDRM CC(C)(C)OC(=O)CCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001589875011 988531126 /nfs/dbraw/zinc/53/11/26/988531126.db2.gz VKOGCQLVEJNYSC-UHFFFAOYSA-N -1 0 325.321 2.222 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001599822562 988539105 /nfs/dbraw/zinc/53/91/05/988539105.db2.gz LNEPBGSOOBYJNJ-CYBMUJFWSA-N -1 0 347.352 2.267 20 5 EEBDRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])c1sccc1[N+](=O)[O-] ZINC001589890929 988575933 /nfs/dbraw/zinc/57/59/33/988575933.db2.gz IVLUWYNZASSGJO-UHFFFAOYSA-N -1 0 330.362 2.279 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001599877270 989435391 /nfs/dbraw/zinc/43/53/91/989435391.db2.gz HLPJZVATBFMYBO-LTZCYQRMSA-N -1 0 332.356 2.410 20 5 EEBDRM CC(C)(C)c1ccc(C(=O)N[C@@H](CCF)C(=O)[O-])cc1[N+](=O)[O-] ZINC001590475849 990051678 /nfs/dbraw/zinc/05/16/78/990051678.db2.gz ZALYYEIAJCPSSC-NSHDSACASA-N -1 0 326.324 2.435 20 5 EEBDRM CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H](C(=O)[O-])c1ccccc1 ZINC001598078582 990387657 /nfs/dbraw/zinc/38/76/57/990387657.db2.gz DTCGLALYRJUGJN-AWEZNQCLSA-N -1 0 347.302 2.214 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001598334053 991376921 /nfs/dbraw/zinc/37/69/21/991376921.db2.gz XLYIBHVQKUCYDA-UHFFFAOYSA-N -1 0 345.311 2.317 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001598502516 992453194 /nfs/dbraw/zinc/45/31/94/992453194.db2.gz ZJLGKAPWIMHBOH-UHFFFAOYSA-N -1 0 346.343 2.338 20 5 EEBDRM CN(Cc1cccc(C(N)=O)c1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598527203 992735278 /nfs/dbraw/zinc/73/52/78/992735278.db2.gz KYZVOCWRFJEJNI-UHFFFAOYSA-N -1 0 343.339 2.024 20 5 EEBDRM C[C@@](NC(=O)c1ccc(Cl)[nH]1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593164039 994004337 /nfs/dbraw/zinc/00/43/37/994004337.db2.gz WLSFTNUYLHCNRT-AWEZNQCLSA-N -1 0 337.719 2.306 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1C(=O)[O-] ZINC001599623078 994111328 /nfs/dbraw/zinc/11/13/28/994111328.db2.gz RWJDSXIKKPNKKV-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ncc(C(=O)[O-])s1 ZINC001593246679 994456677 /nfs/dbraw/zinc/45/66/77/994456677.db2.gz NPJWNVNTCLQIJY-LDYMZIIASA-N -1 0 337.357 2.134 20 5 EEBDRM COC(=O)[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC001598704828 995272801 /nfs/dbraw/zinc/27/28/01/995272801.db2.gz SAVDRVLIZXJFQQ-LBPRGKRZSA-N -1 0 345.311 2.057 20 5 EEBDRM C[C@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)C(C)(C)C(=O)[O-] ZINC001593553174 995633208 /nfs/dbraw/zinc/63/32/08/995633208.db2.gz KVOOPBPZUBLMOI-LURJTMIESA-N -1 0 345.254 2.098 20 5 EEBDRM C[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)C(C)(C)C(=O)[O-] ZINC001593565613 995661250 /nfs/dbraw/zinc/66/12/50/995661250.db2.gz RYCIFQJDVFYORU-ZETCQYMHSA-N -1 0 343.719 2.473 20 5 EEBDRM C[C@H](Sc1nc(C(=O)[O-])c[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001593680149 996106177 /nfs/dbraw/zinc/10/61/77/996106177.db2.gz VJUSWUTXHWFQCQ-ZETCQYMHSA-N -1 0 336.329 2.135 20 5 EEBDRM COC(=O)/C=C/c1ccc(N[C@@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001598834051 996466602 /nfs/dbraw/zinc/46/66/02/996466602.db2.gz GOPOCJXODOCXRX-IYNGYCSASA-N -1 0 334.328 2.446 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001593802389 996527563 /nfs/dbraw/zinc/52/75/63/996527563.db2.gz UYZBKUHPVAKJDT-AWEZNQCLSA-N -1 0 336.735 2.492 20 5 EEBDRM COC(=O)c1cccc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC001598993599 998758976 /nfs/dbraw/zinc/75/89/76/998758976.db2.gz GLUZWNGEYBUYFI-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC001602207389 1118972366 /nfs/dbraw/zinc/97/23/66/1118972366.db2.gz XSVPGEINWGAUTC-VROVMSAKSA-N -1 0 327.134 2.124 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000183969264 235274385 /nfs/dbraw/zinc/27/43/85/235274385.db2.gz HQCXZKRSIMXCIU-RYUDHWBXSA-N -1 0 335.360 2.014 20 5 EEBDRM Nc1c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC000192941594 237351820 /nfs/dbraw/zinc/35/18/20/237351820.db2.gz QCNOYZJSVAFMQH-NSHDSACASA-N -1 0 327.296 2.006 20 5 EEBDRM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000063878071 201050997 /nfs/dbraw/zinc/05/09/97/201050997.db2.gz MLIGISNVCHKRID-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CCOC(=O)[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000426682756 241324975 /nfs/dbraw/zinc/32/49/75/241324975.db2.gz LOMIVAJFHVNQKK-OAHLLOKOSA-N -1 0 344.323 2.335 20 5 EEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(C2CC2)nn1 ZINC000446955656 242233418 /nfs/dbraw/zinc/23/34/18/242233418.db2.gz ADJZUBLHLXNNAZ-UHFFFAOYSA-N -1 0 334.357 2.204 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236635090 242301726 /nfs/dbraw/zinc/30/17/26/242301726.db2.gz OGUKOEXEXNNMRU-LBPRGKRZSA-N -1 0 346.343 2.010 20 5 EEBDRM CC(C)CN(CC(=O)[O-])C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000236665376 242313315 /nfs/dbraw/zinc/31/33/15/242313315.db2.gz XUGRYHZRVXWFGU-UHFFFAOYSA-N -1 0 333.344 2.188 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2F)ccc1[O-] ZINC000021363365 212221844 /nfs/dbraw/zinc/22/18/44/212221844.db2.gz IWJSPXAUTDTYCV-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM CN(CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000237042776 204328237 /nfs/dbraw/zinc/32/82/37/204328237.db2.gz OAQNIVBSEORMSK-CYBMUJFWSA-N -1 0 349.387 2.134 20 5 EEBDRM COCCC1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000125393512 205009451 /nfs/dbraw/zinc/00/94/51/205009451.db2.gz GSVFHQFBIGXUDJ-UHFFFAOYSA-N -1 0 346.380 2.219 20 5 EEBDRM COC(=O)[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc21 ZINC000356600066 141023337 /nfs/dbraw/zinc/02/33/37/141023337.db2.gz SFNFSDZRODWPOT-AWEZNQCLSA-N -1 0 342.307 2.217 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000263104821 152375859 /nfs/dbraw/zinc/37/58/59/152375859.db2.gz BGVVJVSPSKHMSK-CHWSQXEVSA-N -1 0 349.387 2.356 20 5 EEBDRM C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC000263162038 152391136 /nfs/dbraw/zinc/39/11/36/152391136.db2.gz YCPGQRNKFBINHP-WFASDCNBSA-N -1 0 349.387 2.499 20 5 EEBDRM C[C@@H](NC(=O)c1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000126239300 292307923 /nfs/dbraw/zinc/30/79/23/292307923.db2.gz LDXXMGUYYFLWAD-MRVPVSSYSA-N -1 0 335.341 2.119 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189256499 160138149 /nfs/dbraw/zinc/13/81/49/160138149.db2.gz QLFBSOWRJDEFKS-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000341959233 161027365 /nfs/dbraw/zinc/02/73/65/161027365.db2.gz FRQNLHTZKQTKMC-LLVKDONJSA-N -1 0 347.412 2.133 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1 ZINC000344697148 161237003 /nfs/dbraw/zinc/23/70/03/161237003.db2.gz BMOXRHKCQBXKGV-UHFFFAOYSA-N -1 0 336.325 2.182 20 5 EEBDRM NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000346612081 161386190 /nfs/dbraw/zinc/38/61/90/161386190.db2.gz MIAZHNUZONFNIK-SFYZADRCSA-N -1 0 341.751 2.184 20 5 EEBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC(F)(F)F ZINC000360835203 164388391 /nfs/dbraw/zinc/38/83/91/164388391.db2.gz RGLBOJJFYPZXMA-UHFFFAOYSA-N -1 0 332.687 2.479 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)ccc1[N+](=O)[O-] ZINC000124553439 268482406 /nfs/dbraw/zinc/48/24/06/268482406.db2.gz LBORSAWJUBKVEQ-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000275194747 269102598 /nfs/dbraw/zinc/10/25/98/269102598.db2.gz AHHNOFBXEBCLBB-SNVBAGLBSA-N -1 0 344.389 2.085 20 5 EEBDRM O=C(CC1CCCCC1)NCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181953102 274010045 /nfs/dbraw/zinc/01/00/45/274010045.db2.gz ZLCHKOJHBITBAD-UHFFFAOYSA-N -1 0 349.387 2.117 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000288606884 275075226 /nfs/dbraw/zinc/07/52/26/275075226.db2.gz KFTOEULGQVYOAU-MRVPVSSYSA-N -1 0 326.296 2.008 20 5 EEBDRM O=C([O-])CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000321651689 311597099 /nfs/dbraw/zinc/59/70/99/311597099.db2.gz RQBQBKOWUJLSNG-UHFFFAOYSA-N -1 0 342.373 2.051 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000416503971 313240401 /nfs/dbraw/zinc/24/04/01/313240401.db2.gz XREPROKIAPPADC-UHFFFAOYSA-N -1 0 338.307 2.448 20 5 EEBDRM O=C(NCCOc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436669318 314986144 /nfs/dbraw/zinc/98/61/44/314986144.db2.gz JSCJJOGLFWVCPU-UHFFFAOYSA-N -1 0 338.266 2.387 20 5 EEBDRM Cc1ccnc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C2CC2)n1 ZINC000436900510 315010726 /nfs/dbraw/zinc/01/07/26/315010726.db2.gz NTDXTKIAXKQNPQ-AWEZNQCLSA-N -1 0 328.328 2.280 20 5 EEBDRM C[C@H]1Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2NC1=O ZINC000436932470 315014225 /nfs/dbraw/zinc/01/42/25/315014225.db2.gz CNERTHNZFNZIRL-MRVPVSSYSA-N -1 0 343.295 2.272 20 5 EEBDRM COC(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436953320 315016192 /nfs/dbraw/zinc/01/61/92/315016192.db2.gz OGTDMYUXXXORFS-UHFFFAOYSA-N -1 0 344.323 2.060 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000436972041 315018952 /nfs/dbraw/zinc/01/89/52/315018952.db2.gz MIDCKWJIZZVKTI-LBPRGKRZSA-N -1 0 344.371 2.365 20 5 EEBDRM CCOc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1CO ZINC000436988907 315019959 /nfs/dbraw/zinc/01/99/59/315019959.db2.gz QHZQZGWCNUGNAG-UHFFFAOYSA-N -1 0 332.312 2.444 20 5 EEBDRM C[C@](CO)(CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])Cc1ccccc1 ZINC000436994124 315021308 /nfs/dbraw/zinc/02/13/08/315021308.db2.gz AZDIXOUQIZHVML-GOSISDBHSA-N -1 0 344.367 2.272 20 5 EEBDRM CCOC(=O)N1CCC(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000495561666 316003215 /nfs/dbraw/zinc/00/32/15/316003215.db2.gz AFMWJAIPIURRRA-UHFFFAOYSA-N -1 0 337.332 2.107 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000539685506 318058642 /nfs/dbraw/zinc/05/86/42/318058642.db2.gz QWMBSTFHTDBHLA-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000563887872 319052380 /nfs/dbraw/zinc/05/23/80/319052380.db2.gz DGNSQYAVCIOUIE-ABAIWWIYSA-N -1 0 348.355 2.324 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1NCCOc1ccc(C(=O)[O-])cc1 ZINC000565042159 319142940 /nfs/dbraw/zinc/14/29/40/319142940.db2.gz WJMASIPUHDXVER-UHFFFAOYSA-N -1 0 334.332 2.309 20 5 EEBDRM O=C([O-])c1ccnc(NCc2nccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000565894275 319224783 /nfs/dbraw/zinc/22/47/83/319224783.db2.gz HHFDRDUBTGKONP-UHFFFAOYSA-N -1 0 345.237 2.059 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](COC(F)F)C2)n1 ZINC000566563385 319301105 /nfs/dbraw/zinc/30/11/05/319301105.db2.gz GSDQHKPEUAKPHB-QMMMGPOBSA-N -1 0 331.275 2.062 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@]2(CO)C[C@H]2c2ccccc2)n1 ZINC000567475743 319383235 /nfs/dbraw/zinc/38/32/35/319383235.db2.gz VTDDXEWWDMGMNB-SJCJKPOMSA-N -1 0 343.339 2.266 20 5 EEBDRM COc1cccc2c1CCN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000568517156 319495982 /nfs/dbraw/zinc/49/59/82/319495982.db2.gz ACVUEVSXVIDVOE-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM CN(CC1CCOCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000573446560 319935780 /nfs/dbraw/zinc/93/57/80/319935780.db2.gz JLJCVBSDRPCJHN-UHFFFAOYSA-N -1 0 328.752 2.452 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000574316975 320014917 /nfs/dbraw/zinc/01/49/17/320014917.db2.gz OMFNFSGREAYXBH-UHFFFAOYSA-N -1 0 342.373 2.165 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000574417401 320024024 /nfs/dbraw/zinc/02/40/24/320024024.db2.gz GKTYSQARFKTZFU-CYBMUJFWSA-N -1 0 336.388 2.318 20 5 EEBDRM O=C([O-])c1cncnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000577875299 320281891 /nfs/dbraw/zinc/28/18/91/320281891.db2.gz WFZDCOCFRHNFHQ-UHFFFAOYSA-N -1 0 344.327 2.131 20 5 EEBDRM Cn1cc(C[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)C2)cn1 ZINC000580716437 324117810 /nfs/dbraw/zinc/11/78/10/324117810.db2.gz HIVCDQVSJCZOGI-LLVKDONJSA-N -1 0 330.344 2.096 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC000583384160 324653046 /nfs/dbraw/zinc/65/30/46/324653046.db2.gz IXUGPWUNRWVOKZ-LLVKDONJSA-N -1 0 331.332 2.034 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000116710798 462769843 /nfs/dbraw/zinc/76/98/43/462769843.db2.gz MKMDGTPCVOFHMO-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000091021803 462820702 /nfs/dbraw/zinc/82/07/02/462820702.db2.gz WDBBAIDRNYFZBM-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM Cc1[nH]nc(C(=O)[N-]c2nnc(-c3ccsc3)s2)c1[N+](=O)[O-] ZINC000076993702 462932635 /nfs/dbraw/zinc/93/26/35/462932635.db2.gz RCGUKTHWVGWGFG-UHFFFAOYSA-N -1 0 336.358 2.459 20 5 EEBDRM O=C(CN1C(=O)CCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092547380 462962287 /nfs/dbraw/zinc/96/22/87/462962287.db2.gz ZWXLTFMMIHSHLC-UHFFFAOYSA-N -1 0 341.323 2.218 20 5 EEBDRM CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000018008329 463004698 /nfs/dbraw/zinc/00/46/98/463004698.db2.gz LRUIFSPRJSBQTK-UHFFFAOYSA-N -1 0 347.302 2.150 20 5 EEBDRM C[C@H](c1ccccc1)N(CC(N)=O)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093734209 463043938 /nfs/dbraw/zinc/04/39/38/463043938.db2.gz OGMDDEIAJIXWGA-GFCCVEGCSA-N -1 0 329.356 2.349 20 5 EEBDRM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000124209052 463398662 /nfs/dbraw/zinc/39/86/62/463398662.db2.gz PLUQWPSDUWMSAR-LLVKDONJSA-N -1 0 348.396 2.057 20 5 EEBDRM CCC(CC)(CCO)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000124266889 463403508 /nfs/dbraw/zinc/40/35/08/463403508.db2.gz XYQBWZGDEDUSMD-UHFFFAOYSA-N -1 0 330.406 2.062 20 5 EEBDRM C[C@H](CN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000124370985 463414692 /nfs/dbraw/zinc/41/46/92/463414692.db2.gz SJVJWNLQGKIAEN-SNVBAGLBSA-N -1 0 346.391 2.281 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc2ccccn21 ZINC000112495883 463702951 /nfs/dbraw/zinc/70/29/51/463702951.db2.gz XGPOISCCXCLNFV-UHFFFAOYSA-N -1 0 347.356 2.001 20 5 EEBDRM CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262149350 463958948 /nfs/dbraw/zinc/95/89/48/463958948.db2.gz OHOIFAIKQVEZPV-HZMBPMFUSA-N -1 0 336.344 2.084 20 5 EEBDRM CC[C@](C)(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262396109 464018175 /nfs/dbraw/zinc/01/81/75/464018175.db2.gz GRNCIDWMUMKEQX-INIZCTEOSA-N -1 0 335.360 2.178 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000263199658 464060996 /nfs/dbraw/zinc/06/09/96/464060996.db2.gz MGBOAELHWKVNTH-RYUDHWBXSA-N -1 0 336.344 2.075 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000263226655 464067176 /nfs/dbraw/zinc/06/71/76/464067176.db2.gz QBCUUULXQPXUKM-JGVFFNPUSA-N -1 0 344.165 2.299 20 5 EEBDRM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263332745 464086908 /nfs/dbraw/zinc/08/69/08/464086908.db2.gz QGCSJYJMYRYHEP-OTSSQURYSA-N -1 0 344.776 2.320 20 5 EEBDRM Cc1cc(=O)cc(C)n1CCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000292340599 464200650 /nfs/dbraw/zinc/20/06/50/464200650.db2.gz XRNMZNVLUFSAPC-UHFFFAOYSA-N -1 0 345.355 2.498 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000292468379 464243195 /nfs/dbraw/zinc/24/31/95/464243195.db2.gz HHWUZZZLEIMQFY-GJZGRUSLSA-N -1 0 332.356 2.474 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000292581471 464278807 /nfs/dbraw/zinc/27/88/07/464278807.db2.gz PKSRNCQBSNSHHU-LSDHHAIUSA-N -1 0 332.356 2.474 20 5 EEBDRM C[C@@H](CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000237460453 464323634 /nfs/dbraw/zinc/32/36/34/464323634.db2.gz NWALGLSZNXCXSC-HTZNOQTFSA-N -1 0 336.319 2.459 20 5 EEBDRM CC(C)(C)CC(=O)NCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180783380 464394760 /nfs/dbraw/zinc/39/47/60/464394760.db2.gz LNPVIWUCHOBWHQ-UHFFFAOYSA-N -1 0 343.767 2.445 20 5 EEBDRM Cc1ccc(CN(CCO)C(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000180983502 464429909 /nfs/dbraw/zinc/42/99/09/464429909.db2.gz VLHKDDSEAZCRSS-UHFFFAOYSA-N -1 0 330.340 2.244 20 5 EEBDRM CC1(C)C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC000272177421 464506929 /nfs/dbraw/zinc/50/69/29/464506929.db2.gz RSYWBLABEGXWEE-LLVKDONJSA-N -1 0 346.380 2.358 20 5 EEBDRM CC(C)(C[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1)C(N)=O ZINC000295584106 464891440 /nfs/dbraw/zinc/89/14/40/464891440.db2.gz GMDZPWHRMBIGOO-NSHDSACASA-N -1 0 349.387 2.054 20 5 EEBDRM O=C([O-])c1ccccc1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000591327250 468448224 /nfs/dbraw/zinc/44/82/24/468448224.db2.gz ZXPMNWVOSZDJDG-UHFFFAOYSA-N -1 0 328.328 2.467 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000332292452 466492917 /nfs/dbraw/zinc/49/29/17/466492917.db2.gz JMKQNVWIVHPKKB-NHYWBVRUSA-N -1 0 330.344 2.220 20 5 EEBDRM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1C ZINC000314436081 466549246 /nfs/dbraw/zinc/54/92/46/466549246.db2.gz HORHSELPHQLLPO-CKYFFXLPSA-N -1 0 328.390 2.403 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2O)c([N+](=O)[O-])c1 ZINC000320073943 466602681 /nfs/dbraw/zinc/60/26/81/466602681.db2.gz NPGSIZCLUOTYQU-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000322265122 466631193 /nfs/dbraw/zinc/63/11/93/466631193.db2.gz IJXROKMSEQAITG-PRHODGIISA-N -1 0 325.321 2.224 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnc2c(c1)COCC2 ZINC000373190404 466722763 /nfs/dbraw/zinc/72/27/63/466722763.db2.gz MQOFNARTHXTQBP-UHFFFAOYSA-N -1 0 349.368 2.172 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(CCO)Cc1cccc(F)c1 ZINC000427543142 467163557 /nfs/dbraw/zinc/16/35/57/467163557.db2.gz JWSBUWZSKMLQPH-UHFFFAOYSA-N -1 0 334.303 2.074 20 5 EEBDRM Cn1c2cc3nc(-c4ccc([N+](=O)[O-])c([O-])c4)[nH]c3cc2n(C)c1=O ZINC000430957253 467481992 /nfs/dbraw/zinc/48/19/92/467481992.db2.gz NSBPKYQUNURXBI-UHFFFAOYSA-N -1 0 339.311 2.034 20 5 EEBDRM O=C([O-])CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000431204645 467502226 /nfs/dbraw/zinc/50/22/26/467502226.db2.gz GARBGMKLLBTSDJ-UHFFFAOYSA-N -1 0 328.299 2.025 20 5 EEBDRM O=C(N[C@@H](CO)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000436700758 467550990 /nfs/dbraw/zinc/55/09/90/467550990.db2.gz XGNUAFLUWFMECC-NSHDSACASA-N -1 0 338.266 2.042 20 5 EEBDRM O=C(NCc1nccn1-c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436794645 467554740 /nfs/dbraw/zinc/55/47/40/467554740.db2.gz WBHYNFIAMOBJDY-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@H](OCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000567981703 468249661 /nfs/dbraw/zinc/24/96/61/468249661.db2.gz VPKAMFWCXNMECY-VIFPVBQESA-N -1 0 349.265 2.236 20 5 EEBDRM Cn1nc(C2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000600423539 468553429 /nfs/dbraw/zinc/55/34/29/468553429.db2.gz DWOSGVJXUALHMQ-UHFFFAOYSA-N -1 0 346.343 2.180 20 5 EEBDRM CCO[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000570048003 468584051 /nfs/dbraw/zinc/58/40/51/468584051.db2.gz CZBAAAGFMFFITI-FMKPAKJESA-N -1 0 336.344 2.432 20 5 EEBDRM Cc1sc([C@@H]2CCCN2c2ncc([N+](=O)[O-])cn2)nc1C(=O)[O-] ZINC000582727221 468584963 /nfs/dbraw/zinc/58/49/63/468584963.db2.gz DFIZLMRVKQBMHA-VIFPVBQESA-N -1 0 335.345 2.189 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2c(C)cnn2CC)cc1[N+](=O)[O-] ZINC000594730868 468666895 /nfs/dbraw/zinc/66/68/95/468666895.db2.gz SJJLHFLYCDHTAQ-UHFFFAOYSA-N -1 0 338.389 2.483 20 5 EEBDRM COc1cccc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1C ZINC000595280611 468799291 /nfs/dbraw/zinc/79/92/91/468799291.db2.gz PSVPPCHAZXXNES-UHFFFAOYSA-N -1 0 331.328 2.926 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(CCO)CCc2ccccc2)n1 ZINC000592972544 468831678 /nfs/dbraw/zinc/83/16/78/468831678.db2.gz YJPVILQUUZEPBQ-UHFFFAOYSA-N -1 0 345.355 2.038 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCCO[C@@H]2C(C)C)n1 ZINC000592977213 468832387 /nfs/dbraw/zinc/83/23/87/468832387.db2.gz SVNCTCLRDRCHFU-BXUZGUMPSA-N -1 0 337.376 2.860 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@@H]2CCN(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000592976901 468832777 /nfs/dbraw/zinc/83/27/77/468832777.db2.gz IFLAIPXMVKHQTQ-CYBMUJFWSA-N -1 0 342.355 2.308 20 5 EEBDRM Cc1noc(C)c1[C@H](C)CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571925389 468858675 /nfs/dbraw/zinc/85/86/75/468858675.db2.gz ANJUJHMSIYSMOA-SSDOTTSWSA-N -1 0 334.332 2.817 20 5 EEBDRM Cn1cc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2(C)C)cn1 ZINC000584664889 468911098 /nfs/dbraw/zinc/91/10/98/468911098.db2.gz TWAXAZMKJRCPJG-CQSZACIVSA-N -1 0 344.371 2.300 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000593291229 468930576 /nfs/dbraw/zinc/93/05/76/468930576.db2.gz ZVEXANPCKSZHEA-GFCCVEGCSA-N -1 0 335.360 2.171 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598661610 468949803 /nfs/dbraw/zinc/94/98/03/468949803.db2.gz JYQALBPZDJHHQC-DOMZBBRYSA-N -1 0 347.371 2.485 20 5 EEBDRM COc1ccc(CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000593697151 469099908 /nfs/dbraw/zinc/09/99/08/469099908.db2.gz ONBHPENJTVWYEE-LLVKDONJSA-N -1 0 338.360 2.152 20 5 EEBDRM COC[C@H](C)Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596012286 469118015 /nfs/dbraw/zinc/11/80/15/469118015.db2.gz UJUBAQWGPHJTDH-YVFTVSHDSA-N -1 0 347.327 2.380 20 5 EEBDRM O=C([O-])[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1C1CC1 ZINC000593764567 469130412 /nfs/dbraw/zinc/13/04/12/469130412.db2.gz ZFRLBHRTFAIMBD-VHSXEESVSA-N -1 0 334.357 2.147 20 5 EEBDRM O=C(NCc1nnn[n-]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611214137 469193883 /nfs/dbraw/zinc/19/38/83/469193883.db2.gz VYMIYJYLCMVGSM-UHFFFAOYSA-N -1 0 348.388 2.073 20 5 EEBDRM CO[C@H]1C[C@@H](C(=O)[O-])N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000563283538 469221322 /nfs/dbraw/zinc/22/13/22/469221322.db2.gz PBTCYQZWMBQDBO-KBPBESRZSA-N -1 0 338.360 2.056 20 5 EEBDRM O=C([O-])c1cccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000611441318 469250099 /nfs/dbraw/zinc/25/00/99/469250099.db2.gz SUNHIRMKUWEKFW-UHFFFAOYSA-N -1 0 344.323 2.378 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1sc(C)nc1C ZINC000619467942 469616625 /nfs/dbraw/zinc/61/66/25/469616625.db2.gz NZVAJVSLAYOXAA-UHFFFAOYSA-N -1 0 343.386 2.478 20 5 EEBDRM C[C@](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC000619644353 469657095 /nfs/dbraw/zinc/65/70/95/469657095.db2.gz MOTNCCGKDVSIKS-GOSISDBHSA-N -1 0 342.351 2.296 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000618023554 469875632 /nfs/dbraw/zinc/87/56/32/469875632.db2.gz DFLUNVARACPNEE-JGVFFNPUSA-N -1 0 328.346 2.137 20 5 EEBDRM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000618249761 469938991 /nfs/dbraw/zinc/93/89/91/469938991.db2.gz CTBOZEKYGBDDAA-ZDUSSCGKSA-N -1 0 328.324 2.293 20 5 EEBDRM CCCCCNS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000592130455 485597735 /nfs/dbraw/zinc/59/77/35/485597735.db2.gz BKVHQNUGKXPWMD-UHFFFAOYSA-N -1 0 330.362 2.070 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598584748 485618584 /nfs/dbraw/zinc/61/85/84/485618584.db2.gz UMKRLCCMFNNDHY-SNVBAGLBSA-N -1 0 344.389 2.085 20 5 EEBDRM O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773353759 577335894 /nfs/dbraw/zinc/33/58/94/577335894.db2.gz SSVAMAGCGSHYJL-CQSZACIVSA-N -1 0 336.731 2.417 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000765099686 577494877 /nfs/dbraw/zinc/49/48/77/577494877.db2.gz IFFOZYCSTAFOGQ-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM CC(C)CNC(=O)C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000768233207 577552480 /nfs/dbraw/zinc/55/24/80/577552480.db2.gz LLFPUJUEKOEJOD-UHFFFAOYSA-N -1 0 335.404 2.285 20 5 EEBDRM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)[N-]O[C@@H]1CCCCO1 ZINC000769496394 577579263 /nfs/dbraw/zinc/57/92/63/577579263.db2.gz HSPGGLVPFJLMOZ-OAHLLOKOSA-N -1 0 347.327 2.096 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)cc1[N+](=O)[O-] ZINC000762586785 577703852 /nfs/dbraw/zinc/70/38/52/577703852.db2.gz HBHDFXGSGYQIKK-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000763034475 577713102 /nfs/dbraw/zinc/71/31/02/577713102.db2.gz HGGUPECAEKDCFG-VIFPVBQESA-N -1 0 346.380 2.256 20 5 EEBDRM Cc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)o1 ZINC000744130946 577893241 /nfs/dbraw/zinc/89/32/41/577893241.db2.gz BETRUHQLGHMLLO-QMMMGPOBSA-N -1 0 344.370 2.166 20 5 EEBDRM Cc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000738560935 578019375 /nfs/dbraw/zinc/01/93/75/578019375.db2.gz NWCVGXAKXUZOTC-INIZCTEOSA-N -1 0 342.351 2.430 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738887519 578030000 /nfs/dbraw/zinc/03/00/00/578030000.db2.gz BQJWTHJIUHKJJP-AWEZNQCLSA-N -1 0 329.312 2.196 20 5 EEBDRM O=C([O-])c1cc(NC(=O)/C=C/c2cncc(F)c2)cc([N+](=O)[O-])c1 ZINC000739215502 578044262 /nfs/dbraw/zinc/04/42/62/578044262.db2.gz CENMXEFCPJZTHL-OWOJBTEDSA-N -1 0 331.259 2.479 20 5 EEBDRM O=C([O-])c1cccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000740215020 578085951 /nfs/dbraw/zinc/08/59/51/578085951.db2.gz FBHXLDMWTLDQTI-UHFFFAOYSA-N -1 0 329.264 2.333 20 5 EEBDRM O=C([O-])c1cnc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC000740257201 578087830 /nfs/dbraw/zinc/08/78/30/578087830.db2.gz MIQNKEUUMJILHM-UHFFFAOYSA-N -1 0 329.240 2.280 20 5 EEBDRM CC(C)(C(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000736223268 578188232 /nfs/dbraw/zinc/18/82/32/578188232.db2.gz FZKULMAXXKAXEH-LBPRGKRZSA-N -1 0 335.360 2.131 20 5 EEBDRM C[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])CN1CCOCC1 ZINC000736606722 578214566 /nfs/dbraw/zinc/21/45/66/578214566.db2.gz JKNWINGIYUSDRT-MASHWEEQSA-N -1 0 349.387 2.073 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NC[C@H]2CC2(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657983 578216882 /nfs/dbraw/zinc/21/68/82/578216882.db2.gz XFUNZGNENYSNFX-MWLCHTKSSA-N -1 0 335.360 2.256 20 5 EEBDRM CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736839749 578226551 /nfs/dbraw/zinc/22/65/51/578226551.db2.gz KHZMIRHEOQKJOY-CYBMUJFWSA-N -1 0 349.343 2.023 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000736854128 578227002 /nfs/dbraw/zinc/22/70/02/578227002.db2.gz XIQMMZUZZHZDLQ-CYBMUJFWSA-N -1 0 331.328 2.443 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000737247851 578246255 /nfs/dbraw/zinc/24/62/55/578246255.db2.gz QNDINCBQWBTFAP-UHFFFAOYSA-N -1 0 347.331 2.242 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000820454260 597711212 /nfs/dbraw/zinc/71/12/12/597711212.db2.gz PZXUSVJOWGJLKB-CPCISQLKSA-N -1 0 346.286 2.425 20 5 EEBDRM O=C([O-])CSCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000128304450 598150855 /nfs/dbraw/zinc/15/08/55/598150855.db2.gz CSKGLCIJYHMDDN-UHFFFAOYSA-N -1 0 349.162 2.114 20 5 EEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)C(=O)[O-] ZINC000061151244 599826736 /nfs/dbraw/zinc/82/67/36/599826736.db2.gz HLLDAGAXCNVYMG-UHFFFAOYSA-N -1 0 345.149 2.293 20 5 EEBDRM O=C([O-])CN(C(=O)COc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000833245036 601143277 /nfs/dbraw/zinc/14/32/77/601143277.db2.gz ICDCOWJDTCZCJU-UHFFFAOYSA-N -1 0 348.286 2.231 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000828672656 601480401 /nfs/dbraw/zinc/48/04/01/601480401.db2.gz UTEWWNZTTSGEJY-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@H](CO[C@@H]1CCOC1)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000827517157 601562204 /nfs/dbraw/zinc/56/22/04/601562204.db2.gz FXMIGTBCECXOLY-VWRYTFAISA-N -1 0 336.344 2.299 20 5 EEBDRM CCOC(=O)c1cc(N[C@@H]2CCCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000829877897 602104357 /nfs/dbraw/zinc/10/43/57/602104357.db2.gz BVDKCUYUHAMCDG-LLVKDONJSA-N -1 0 337.332 2.326 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ncc(C(=O)[O-])s2)c1 ZINC000832476246 602350732 /nfs/dbraw/zinc/35/07/32/602350732.db2.gz HYUUYBBCRCKXIJ-UHFFFAOYSA-N -1 0 337.313 2.035 20 5 EEBDRM CC[C@H](NC(=O)N1CCN(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000826607129 603681646 /nfs/dbraw/zinc/68/16/46/603681646.db2.gz HONYKDQZQBGCJI-ZDUSSCGKSA-N -1 0 336.348 2.051 20 5 EEBDRM CC(C)(CC(=O)[O-])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165210715 604556689 /nfs/dbraw/zinc/55/66/89/604556689.db2.gz RIZWHRBQCQSGED-UHFFFAOYSA-N -1 0 345.149 2.340 20 5 EEBDRM CC1=C(C(=O)[O-])C[C@@H](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)O1 ZINC000833580390 604889304 /nfs/dbraw/zinc/88/93/04/604889304.db2.gz GQZNVHZVHZERCF-LBPRGKRZSA-N -1 0 330.300 2.001 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1[N+](=O)[O-] ZINC000827097550 604896216 /nfs/dbraw/zinc/89/62/16/604896216.db2.gz QDEYADWGIZYTBN-JTQLQIEISA-N -1 0 344.327 2.270 20 5 EEBDRM O=C([O-])c1ccc(OC[C@H](O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000833782084 605125772 /nfs/dbraw/zinc/12/57/72/605125772.db2.gz LYRXAMKBNBAYNR-ZDUSSCGKSA-N -1 0 348.267 2.314 20 5 EEBDRM CC(C)N(C)C(=O)C1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833495557 605178253 /nfs/dbraw/zinc/17/82/53/605178253.db2.gz HQCOTWBFFWBXCY-UHFFFAOYSA-N -1 0 349.387 2.376 20 5 EEBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820513082 606398264 /nfs/dbraw/zinc/39/82/64/606398264.db2.gz UDMCOGCFUZSXTR-MRVPVSSYSA-N -1 0 328.288 2.021 20 5 EEBDRM CC(C)(C)CC[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000263211589 689487799 /nfs/dbraw/zinc/48/77/99/689487799.db2.gz WSJCMEKNGFTVOO-CYBMUJFWSA-N -1 0 338.360 2.369 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)cc1F ZINC000867696084 1201660681 /nfs/dbraw/zinc/66/06/81/1201660681.db2.gz WIKJTZDUEFITDK-HTRCEHHLSA-N -1 0 342.270 2.271 20 5 EEBDRM O=C1CCc2c1c(-c1noc(-c3nc[n-]c3[N+](=O)[O-])n1)ccc2F ZINC001212893190 1214378074 /nfs/dbraw/zinc/37/80/74/1214378074.db2.gz QMBDNZRBJCTHJC-UHFFFAOYSA-N -1 0 329.247 2.303 20 5 EEBDRM CSC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795842988 1215104399 /nfs/dbraw/zinc/10/43/99/1215104399.db2.gz KXJOEUDOMXELCV-ZCFIWIBFSA-N -1 0 342.801 2.417 20 5 EEBDRM O=C(CCC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000115909572 1228563015 /nfs/dbraw/zinc/56/30/15/1228563015.db2.gz HCVDSDZTDQLBOB-UHFFFAOYSA-N -1 0 332.765 2.243 20 5 EEBDRM O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119968389 1229638806 /nfs/dbraw/zinc/63/88/06/1229638806.db2.gz MBOCKZRRSCHUOD-VIFPVBQESA-N -1 0 344.776 2.409 20 5 EEBDRM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000800398652 1234104177 /nfs/dbraw/zinc/10/41/77/1234104177.db2.gz QKXJCVSVQYQPGZ-GFCCVEGCSA-N -1 0 342.417 2.410 20 5 EEBDRM Cc1cc(=O)c(COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n[n-]1 ZINC000802173117 1237046129 /nfs/dbraw/zinc/04/61/29/1237046129.db2.gz YQRYVPSPWYSROG-VIFPVBQESA-N -1 0 335.291 2.385 20 5 EEBDRM CSc1nc(O[C@H]2Cc3ccncc3[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227628400 1301915348 /nfs/dbraw/zinc/91/53/48/1301915348.db2.gz PFQUFCCSVNXJML-XCBNKYQSSA-N -1 0 334.357 2.315 20 5 EEBDRM CC(C)CCOC(=O)[C@@H](C)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228609629 1302335723 /nfs/dbraw/zinc/33/57/23/1302335723.db2.gz FYBQKYALLOGDHU-SECBINFHSA-N -1 0 339.348 2.324 20 5 EEBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(OC2CCC3(CC2)OCCO3)cc1[O-] ZINC001231221938 1303688249 /nfs/dbraw/zinc/68/82/49/1303688249.db2.gz UXSOHGYZUNZKES-UHFFFAOYSA-N -1 0 340.288 2.273 20 5 EEBDRM CO[C@H](C)CO[C@H](C)COc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231226241 1303691791 /nfs/dbraw/zinc/69/17/91/1303691791.db2.gz BIINDSPJAIVZND-RKDXNWHRSA-N -1 0 330.293 2.027 20 5 EEBDRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000781834660 1303876345 /nfs/dbraw/zinc/87/63/45/1303876345.db2.gz IEAGFRQSLKCBDF-CMDGGOBGSA-N -1 0 330.337 2.285 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])oc1C ZINC000781842657 1303878622 /nfs/dbraw/zinc/87/86/22/1303878622.db2.gz QBLGCCCAXONHBX-UHFFFAOYSA-N -1 0 342.304 2.062 20 5 EEBDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835464011 1314921598 /nfs/dbraw/zinc/92/15/98/1314921598.db2.gz DJLWXGBDNXUGSU-ZDUSSCGKSA-N -1 0 342.417 2.419 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])o1 ZINC001601287183 1350249208 /nfs/dbraw/zinc/24/92/08/1350249208.db2.gz FSNLSRHNCXPQQQ-UHFFFAOYSA-N -1 0 336.275 2.274 20 5 EEBDRM O=C([O-])c1cnccc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001602545306 1350542659 /nfs/dbraw/zinc/54/26/59/1350542659.db2.gz CAJSWAKXHQSVLL-UHFFFAOYSA-N -1 0 343.251 2.186 20 5 EEBDRM C[C@H](CS(=O)(=O)Oc1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CC1 ZINC001604209358 1350893347 /nfs/dbraw/zinc/89/33/47/1350893347.db2.gz KTKKNBIRLLSODX-MRVPVSSYSA-N -1 0 329.330 2.048 20 5 EEBDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001306922565 1331499025 /nfs/dbraw/zinc/49/90/25/1331499025.db2.gz OUSXITZPVOWTIX-UHFFFAOYSA-N -1 0 333.329 2.042 20 5 EEBDRM C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609762103 1352078789 /nfs/dbraw/zinc/07/87/89/1352078789.db2.gz UKACJCPANRADMK-TZMCWYRMSA-N -1 0 336.388 2.270 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001609852408 1352102284 /nfs/dbraw/zinc/10/22/84/1352102284.db2.gz IGYIPSQBOMMPCS-VXGBXAGGSA-N -1 0 349.387 2.424 20 5 EEBDRM C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C(=O)[O-])C1 ZINC001609861451 1352104835 /nfs/dbraw/zinc/10/48/35/1352104835.db2.gz SFKSXXHLLTUPKV-AMIZOPFISA-N -1 0 342.298 2.127 20 5 EEBDRM CC[C@@](C)(NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001609895872 1352113728 /nfs/dbraw/zinc/11/37/28/1352113728.db2.gz PDLLDSDLSYKCJY-XLKFXECMSA-N -1 0 344.751 2.385 20 5 EEBDRM CC[C@@H]1CN(c2nnc(-c3cccc([O-])c3[N+](=O)[O-])n2C)CCS1 ZINC001341594832 1337295105 /nfs/dbraw/zinc/29/51/05/1337295105.db2.gz YEYFFEDDRMWYNT-SNVBAGLBSA-N -1 0 349.416 2.428 20 5 EEBDRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC001346127563 1337480114 /nfs/dbraw/zinc/48/01/14/1337480114.db2.gz KAZDHIOKNKSVSW-CYBMUJFWSA-N -1 0 344.389 2.377 20 5 EEBDRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892644 1338365789 /nfs/dbraw/zinc/36/57/89/1338365789.db2.gz GYEYZSVDJDJIDL-NSHDSACASA-N -1 0 343.405 2.401 20 5 EEBDRM CCN(CCNC(=O)c1cc(C)c(C)o1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001100485717 1338425873 /nfs/dbraw/zinc/42/58/73/1338425873.db2.gz XOPKIXKJXUAJEM-UHFFFAOYSA-N -1 0 348.359 2.162 20 5 EEBDRM C[C@@H]1[C@H](C)SCCN1c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001355420259 1338715545 /nfs/dbraw/zinc/71/55/45/1338715545.db2.gz OHPPIYYRKZDBOW-ZJUUUORDSA-N -1 0 349.416 2.426 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2ccc(OCCO)c(C)c2)n1 ZINC001610439837 1352222659 /nfs/dbraw/zinc/22/26/59/1352222659.db2.gz FUYFSFKWXDAHGX-UHFFFAOYSA-N -1 0 347.327 2.420 20 5 EEBDRM Cc1ccc(C(=O)N2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc1[N+](=O)[O-] ZINC001610484084 1352230716 /nfs/dbraw/zinc/23/07/16/1352230716.db2.gz PKIFURSYIZZFDU-SDJAHQOYSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1ccc(OS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001610511098 1352236156 /nfs/dbraw/zinc/23/61/56/1352236156.db2.gz YPTXRCJOSKNTST-AAEUAGOBSA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](C)c2nccn2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600038545 1349959841 /nfs/dbraw/zinc/95/98/41/1349959841.db2.gz BZNHLBHORDSTFS-VIFPVBQESA-N -1 0 347.331 2.218 20 5 EEBDRM Cc1c(NC(=O)NCCCCCCO)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043217 1349960898 /nfs/dbraw/zinc/96/08/98/1349960898.db2.gz RKLIMPIOGOZSSP-UHFFFAOYSA-N -1 0 339.348 2.276 20 5 EEBDRM Cc1nn(C)cc1[C@@H]1CCCN1c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600104882 1349972273 /nfs/dbraw/zinc/97/22/73/1349972273.db2.gz CFSUOUHDMOPMQC-ZDUSSCGKSA-N -1 0 345.359 2.380 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Sc2nnc3n2CCCCC3)n1 ZINC001600107119 1349972741 /nfs/dbraw/zinc/97/27/41/1349972741.db2.gz ZMVBWZOCDLOTMG-UHFFFAOYSA-N -1 0 349.372 2.466 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2cnn(CC(F)F)c2)n1 ZINC001600106729 1349972759 /nfs/dbraw/zinc/97/27/59/1349972759.db2.gz SGTPUQHJLKOOEF-UHFFFAOYSA-N -1 0 327.247 2.202 20 5 EEBDRM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1(C(=O)[O-])CCSCC1 ZINC001600230105 1349997461 /nfs/dbraw/zinc/99/74/61/1349997461.db2.gz TXEZQHSFEAJWHY-UHFFFAOYSA-N -1 0 342.348 2.123 20 5 EEBDRM Cc1cc(N2CCC[C@H](C(=O)NC(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600240473 1349999733 /nfs/dbraw/zinc/99/97/33/1349999733.db2.gz MBLOODWOBWHJKL-LBPRGKRZSA-N -1 0 349.387 2.342 20 5 EEBDRM Cc1cc(N[C@@H]2CCN(C3CCC3)C2=O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600278534 1350009480 /nfs/dbraw/zinc/00/94/80/1350009480.db2.gz UJVAVJSEBDQLSD-CYBMUJFWSA-N -1 0 333.344 2.167 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2C)oc1C(=O)[O-] ZINC001600305211 1350016173 /nfs/dbraw/zinc/01/61/73/1350016173.db2.gz RADAPKOPWRWPOW-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001600307229 1350016550 /nfs/dbraw/zinc/01/65/50/1350016550.db2.gz OAFOWWSRDMGXNR-ZDUSSCGKSA-N -1 0 335.291 2.381 20 5 EEBDRM Cc1ccc([C@H](C)OC(=O)Cn2ccc(C(=O)[O-])n2)cc1[N+](=O)[O-] ZINC001600486309 1350062794 /nfs/dbraw/zinc/06/27/94/1350062794.db2.gz HEXFGAXACVOKLF-JTQLQIEISA-N -1 0 333.300 2.102 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1C ZINC001600486869 1350063446 /nfs/dbraw/zinc/06/34/46/1350063446.db2.gz JHVCDBQFODHDRC-UHFFFAOYSA-N -1 0 345.355 2.487 20 5 EEBDRM Cc1ccc2nc(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])cn2c1 ZINC001600502597 1350067822 /nfs/dbraw/zinc/06/78/22/1350067822.db2.gz QITRZDLCTMIRDB-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM Cc1cccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC001600545432 1350079213 /nfs/dbraw/zinc/07/92/13/1350079213.db2.gz XFYWPRCFFYWVDG-GFCCVEGCSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H](CC(C)C)C(=O)[O-] ZINC001600551813 1350080328 /nfs/dbraw/zinc/08/03/28/1350080328.db2.gz GFXLQCNYBNYVNO-ZDUSSCGKSA-N -1 0 337.376 2.273 20 5 EEBDRM Cn1cc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001600960732 1350177324 /nfs/dbraw/zinc/17/73/24/1350177324.db2.gz MZLRRFCTZCBJGM-UHFFFAOYSA-N -1 0 345.311 2.233 20 5 EEBDRM O=C([O-])CC1CC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001601942864 1350402378 /nfs/dbraw/zinc/40/23/78/1350402378.db2.gz WZHPIXHBISGZMO-UHFFFAOYSA-N -1 0 328.271 2.056 20 5 EEBDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001602109718 1350440923 /nfs/dbraw/zinc/44/09/23/1350440923.db2.gz DJRRUQAXSKXTKL-NEPJUHHUSA-N -1 0 335.360 2.156 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCC2(O)CCOCC2)cc1Cl ZINC001602299684 1350488315 /nfs/dbraw/zinc/48/83/15/1350488315.db2.gz RQPHSZLKBZQMSI-UHFFFAOYSA-N -1 0 344.751 2.290 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(C[C@@H]2CC[C@@H](c3ccccc3)O2)c1=O ZINC001602300789 1350488740 /nfs/dbraw/zinc/48/87/40/1350488740.db2.gz VVOIEJIZYFIDNP-ZFWWWQNUSA-N -1 0 344.323 2.375 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(c3ccc(O)cc3)CC2)c1 ZINC001602404535 1350512001 /nfs/dbraw/zinc/51/20/01/1350512001.db2.gz OQMUKRUNGZYRBN-UHFFFAOYSA-N -1 0 343.339 2.325 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2nc3cc(F)ccc3[nH]2)n1 ZINC001602405790 1350512027 /nfs/dbraw/zinc/51/20/27/1350512027.db2.gz MNFXUOZWKJZIDY-UHFFFAOYSA-N -1 0 345.290 2.358 20 5 EEBDRM O=C([O-])c1ccnc(N2Cc3ccc([N+](=O)[O-])cc3C2)c1[N+](=O)[O-] ZINC001602480338 1350528865 /nfs/dbraw/zinc/52/88/65/1350528865.db2.gz HCOADTRERYTTKU-UHFFFAOYSA-N -1 0 330.256 2.116 20 5 EEBDRM CC(C)CC[C@@](C)(O)CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001603278145 1350677898 /nfs/dbraw/zinc/67/78/98/1350677898.db2.gz KGHAYQDPCZDOFO-OAHLLOKOSA-N -1 0 334.380 2.374 20 5 EEBDRM CC(C)CC[C@](C)(O)CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001603278144 1350678519 /nfs/dbraw/zinc/67/85/19/1350678519.db2.gz KGHAYQDPCZDOFO-HNNXBMFYSA-N -1 0 334.380 2.374 20 5 EEBDRM CCC(CC)(CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])C(=O)[O-] ZINC001604019027 1350830306 /nfs/dbraw/zinc/83/03/06/1350830306.db2.gz BOEBBJLFDLVWNZ-UHFFFAOYSA-N -1 0 334.336 2.078 20 5 EEBDRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001604062528 1350843442 /nfs/dbraw/zinc/84/34/42/1350843442.db2.gz WPWGSHOZNOMCER-TYWZFMJISA-N -1 0 332.234 2.373 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604315276 1350913754 /nfs/dbraw/zinc/91/37/54/1350913754.db2.gz VACQTGVJWACYES-JULQROHOSA-N -1 0 347.371 2.398 20 5 EEBDRM C[C@H](c1ccccc1)[C@@H](O)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604467463 1350943564 /nfs/dbraw/zinc/94/35/64/1350943564.db2.gz DLMNGBWXPYDARD-MFKMUULPSA-N -1 0 331.328 2.265 20 5 EEBDRM CCCc1[nH]nc(C(=O)OCc2cc(C)c(C(=O)[O-])o2)c1[N+](=O)[O-] ZINC001605364970 1351145170 /nfs/dbraw/zinc/14/51/70/1351145170.db2.gz WPILMYUMEABTEE-UHFFFAOYSA-N -1 0 337.288 2.227 20 5 EEBDRM CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001605898503 1351250390 /nfs/dbraw/zinc/25/03/90/1351250390.db2.gz GKVSYAXNEWCWSH-MRXNPFEDSA-N -1 0 345.359 2.174 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001606830040 1351362668 /nfs/dbraw/zinc/36/26/68/1351362668.db2.gz HRYCJLBMDPZJJI-HNNXBMFYSA-N -1 0 344.314 2.329 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001607134143 1351434757 /nfs/dbraw/zinc/43/47/57/1351434757.db2.gz GPKNHURNBPDVBB-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COc1cccc(C(=O)Nc2cccc(CC(=O)[O-])c2)c1[N+](=O)[O-] ZINC001607305067 1351469659 /nfs/dbraw/zinc/46/96/59/1351469659.db2.gz JESOIGZLXKYNRP-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM COc1cccc(O)c1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607326574 1351474739 /nfs/dbraw/zinc/47/47/39/1351474739.db2.gz LCAGUESMQMHLLI-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1CC(=O)[O-] ZINC001607429961 1351493204 /nfs/dbraw/zinc/49/32/04/1351493204.db2.gz CJBBQLPOUGDHAL-WAZAZEMKSA-N -1 0 332.356 2.268 20 5 EEBDRM Cc1c(C(=O)N2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001607504804 1351507162 /nfs/dbraw/zinc/50/71/62/1351507162.db2.gz SWZFNKGBLBVAJQ-GBALPHGKSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1c(NC(=O)N2CCO[C@H](C3CC3)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607544466 1351513708 /nfs/dbraw/zinc/51/37/08/1351513708.db2.gz MZWVQASWVBWAPW-AWEZNQCLSA-N -1 0 349.343 2.244 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc(CCC(=O)[O-])cs2)n1 ZINC001607710455 1351544535 /nfs/dbraw/zinc/54/45/35/1351544535.db2.gz ZLXDTEDTOUAKCV-UHFFFAOYSA-N -1 0 336.329 2.024 20 5 EEBDRM Cc1nn(C)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1C(=O)[O-] ZINC001607999809 1351600761 /nfs/dbraw/zinc/60/07/61/1351600761.db2.gz PTJHDNPMAVLMAV-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM NC(=O)c1cc(F)ccc1OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001608241635 1351655079 /nfs/dbraw/zinc/65/50/79/1351655079.db2.gz MBAVXVSNGUOCAV-UHFFFAOYSA-N -1 0 334.259 2.110 20 5 EEBDRM O=C([O-])C1(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001608443511 1351696249 /nfs/dbraw/zinc/69/62/49/1351696249.db2.gz LGGNNYJNCFLRFY-UHFFFAOYSA-N -1 0 335.360 2.082 20 5 EEBDRM Cc1oc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000262130023 1405811909 /nfs/dbraw/zinc/81/19/09/1405811909.db2.gz QMMXZPXDJPQYCY-UHFFFAOYSA-N -1 0 332.312 2.443 20 5 EEBDRM O=C([O-])c1ccnc(N2CCS[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000906155503 783725668 /nfs/dbraw/zinc/72/56/68/783725668.db2.gz IOJMXKHBGREFGU-SSDOTTSWSA-N -1 0 337.279 2.172 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CC2(F)F)cc([N+](=O)[O-])c1C ZINC000817711231 784948669 /nfs/dbraw/zinc/94/86/69/784948669.db2.gz XMKFNKYCKNOORE-GFCCVEGCSA-N -1 0 348.327 2.062 20 5 EEBDRM Nn1c(SCc2cc([O-])ccc2[N+](=O)[O-])nnc1-c1ccco1 ZINC000821053446 786578435 /nfs/dbraw/zinc/57/84/35/786578435.db2.gz YVCWLAGLNLKIFR-UHFFFAOYSA-N -1 0 333.329 2.158 20 5 EEBDRM CC(C)(CC(=O)[O-])CC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000029011376 788278604 /nfs/dbraw/zinc/27/86/04/788278604.db2.gz LBHWICKZUCEIHJ-UHFFFAOYSA-N -1 0 325.277 2.333 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](c3ccccn3)C2)n1 ZINC000844208094 788926015 /nfs/dbraw/zinc/92/60/15/788926015.db2.gz PDVHINKGQARFMR-NSHDSACASA-N -1 0 328.328 2.385 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](C)CC2(C)OCCO2)n1 ZINC000844210136 788927277 /nfs/dbraw/zinc/92/72/77/788927277.db2.gz PJPWUUIZRFGHHU-SECBINFHSA-N -1 0 339.348 2.198 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000844208403 788927305 /nfs/dbraw/zinc/92/73/05/788927305.db2.gz QXWCLQNCAZAKGS-CYBMUJFWSA-N -1 0 342.355 2.396 20 5 EEBDRM CC(C)(C)n1nccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000786181151 806718778 /nfs/dbraw/zinc/71/87/78/806718778.db2.gz CSGBZLCOCQOVGX-UHFFFAOYSA-N -1 0 330.391 2.409 20 5 EEBDRM COC(=O)c1n[nH]cc1[N-]c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001169571594 803856139 /nfs/dbraw/zinc/85/61/39/803856139.db2.gz NXRGMIKUTXFURT-UHFFFAOYSA-N -1 0 338.711 2.169 20 5 EEBDRM Cc1c(CC(=O)[N-]S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000788079971 807367980 /nfs/dbraw/zinc/36/79/80/807367980.db2.gz IAGLUWDIJXJLQE-UHFFFAOYSA-N -1 0 340.382 2.012 20 5 EEBDRM CCOC(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCC1 ZINC000791837820 809452529 /nfs/dbraw/zinc/45/25/29/809452529.db2.gz MSSQGYMPKNPNNN-UHFFFAOYSA-N -1 0 336.344 2.154 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000796687516 810820163 /nfs/dbraw/zinc/82/01/63/810820163.db2.gz VJSDPRSJHXITTQ-UHFFFAOYSA-N -1 0 348.380 2.378 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000805865350 811594956 /nfs/dbraw/zinc/59/49/56/811594956.db2.gz FZWINAUKTQASJG-UHFFFAOYSA-N -1 0 346.792 2.489 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)c(F)c1 ZINC000345799234 939128327 /nfs/dbraw/zinc/12/83/27/939128327.db2.gz JUVDNHFYKCOSFW-LLVKDONJSA-N -1 0 341.682 2.271 20 5 EEBDRM O=C([O-])c1ccccc1C1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC001611560129 971107067 /nfs/dbraw/zinc/10/70/67/971107067.db2.gz KWIYHZHBULSZJL-UHFFFAOYSA-N -1 0 330.344 2.327 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CC1 ZINC001602815460 971617527 /nfs/dbraw/zinc/61/75/27/971617527.db2.gz VUCIFWFGUHAZSR-SECBINFHSA-N -1 0 344.327 2.063 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001594763546 953525182 /nfs/dbraw/zinc/52/51/82/953525182.db2.gz XTWLJBCXEQCMPN-WDEREUQCSA-N -1 0 326.736 2.018 20 5 EEBDRM C[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC001589365959 954193127 /nfs/dbraw/zinc/19/31/27/954193127.db2.gz CTCNVMVOCLDJEH-BXKDBHETSA-N -1 0 342.298 2.256 20 5 EEBDRM CC(C)C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001603032404 972093627 /nfs/dbraw/zinc/09/36/27/972093627.db2.gz IJGUPEXACOPGTG-TVQRCGJNSA-N -1 0 326.324 2.453 20 5 EEBDRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3ccsc3[N+](=O)[O-])C2)cn1 ZINC001594538426 955601629 /nfs/dbraw/zinc/60/16/29/955601629.db2.gz QBRPUHJFJBCIDU-UWVGGRQHSA-N -1 0 336.373 2.085 20 5 EEBDRM C[C@@H](CNC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001589049500 955645388 /nfs/dbraw/zinc/64/53/88/955645388.db2.gz CIAYGMOQGFMTSA-RYUDHWBXSA-N -1 0 335.360 2.205 20 5 EEBDRM CC(C)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000848580194 955751570 /nfs/dbraw/zinc/75/15/70/955751570.db2.gz JLKQWSNRLIDVDD-NSHDSACASA-N -1 0 343.767 2.404 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001593967302 956569862 /nfs/dbraw/zinc/56/98/62/956569862.db2.gz HOULICXFDIGNRH-INIZCTEOSA-N -1 0 349.318 2.210 20 5 EEBDRM Nc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC001594665819 956574072 /nfs/dbraw/zinc/57/40/72/956574072.db2.gz PGNJMDKVMPFWJP-OCCSQVGLSA-N -1 0 341.323 2.220 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001594679073 956687695 /nfs/dbraw/zinc/68/76/95/956687695.db2.gz VGXLGAACPIMHON-CYBMUJFWSA-N -1 0 334.328 2.023 20 5 EEBDRM O=C([O-])c1ccccc1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001594688331 956727627 /nfs/dbraw/zinc/72/76/27/956727627.db2.gz ZRQMIVMSONZYAX-UHFFFAOYSA-N -1 0 344.323 2.378 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000037410400 957279297 /nfs/dbraw/zinc/27/92/97/957279297.db2.gz RVVCVQVGCQXKAR-SECBINFHSA-N -1 0 343.133 2.047 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594112607 958529696 /nfs/dbraw/zinc/52/96/96/958529696.db2.gz FDTQCKUMAWLCOW-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c1C ZINC001594378365 958610042 /nfs/dbraw/zinc/61/00/42/958610042.db2.gz XBYQLSKDEGZUJI-UHFFFAOYSA-N -1 0 346.343 2.480 20 5 EEBDRM C[C@H](C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001588546964 959001101 /nfs/dbraw/zinc/00/11/01/959001101.db2.gz DRMCBUDPUUYWPA-GBIKHYSHSA-N -1 0 338.335 2.407 20 5 EEBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1Br)C(C)(C)C(=O)[O-] ZINC000159008705 959105150 /nfs/dbraw/zinc/10/51/50/959105150.db2.gz USGGMKAARJDBBD-UHFFFAOYSA-N -1 0 345.149 2.293 20 5 EEBDRM C[C@@H](C(=O)OCC1(C(=O)[O-])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001588607642 959491499 /nfs/dbraw/zinc/49/14/99/959491499.db2.gz WHUGLIDHXKUHOA-LLVKDONJSA-N -1 0 337.328 2.123 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001574226383 960398449 /nfs/dbraw/zinc/39/84/49/960398449.db2.gz VYDPSGUDHOSXGD-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM CC(C)(C)CN(CC(=O)[O-])c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001588657091 960415985 /nfs/dbraw/zinc/41/59/85/960415985.db2.gz MFRYEJBBERXRKF-UHFFFAOYSA-N -1 0 335.360 2.417 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574321563 960822827 /nfs/dbraw/zinc/82/28/27/960822827.db2.gz AMBCVFIJEZCDAX-VXGBXAGGSA-N -1 0 336.344 2.420 20 5 EEBDRM Cc1ccc(CNC(=O)Cc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001574368156 961053522 /nfs/dbraw/zinc/05/35/22/961053522.db2.gz RXUXFDGEECGKOB-UHFFFAOYSA-N -1 0 328.324 2.460 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N(CC(=O)[O-])CC(C)(C)C)c1[N+](=O)[O-] ZINC001588962931 962631770 /nfs/dbraw/zinc/63/17/70/962631770.db2.gz GVCYIMJWPKYBBN-UHFFFAOYSA-N -1 0 326.353 2.014 20 5 EEBDRM C[C@H](OC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001605054018 972672599 /nfs/dbraw/zinc/67/25/99/972672599.db2.gz WEBUNNYZTZVERH-SRVKXCTJSA-N -1 0 337.328 2.469 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001603360469 972825324 /nfs/dbraw/zinc/82/53/24/972825324.db2.gz SFLJTWXLCQXMEH-ZYHUDNBSSA-N -1 0 345.355 2.188 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC001592290095 977610398 /nfs/dbraw/zinc/61/03/98/977610398.db2.gz DBAAABAZUXDNCQ-HNNXBMFYSA-N -1 0 338.385 2.447 20 5 EEBDRM C[C@H](CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC001592556308 978442523 /nfs/dbraw/zinc/44/25/23/978442523.db2.gz MSEOYMRDHSQBSH-WKPIXPDZSA-N -1 0 332.356 2.410 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000829834827 979008105 /nfs/dbraw/zinc/00/81/05/979008105.db2.gz SXDFVGZAJDAMNC-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM CC[C@H](COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001595183562 979818567 /nfs/dbraw/zinc/81/85/67/979818567.db2.gz RDJGQLCYRBWAPH-SSDOTTSWSA-N -1 0 333.243 2.464 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000864198545 979869670 /nfs/dbraw/zinc/86/96/70/979869670.db2.gz IUDXWRBWAIVNKF-QGZVFWFLSA-N -1 0 345.355 2.309 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])no1 ZINC001595212398 980000159 /nfs/dbraw/zinc/00/01/59/980000159.db2.gz OHYVQUPDGRLSNO-JTQLQIEISA-N -1 0 333.300 2.488 20 5 EEBDRM CCCN(C(=O)c1cnc(C(=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC001595831672 982723191 /nfs/dbraw/zinc/72/31/91/982723191.db2.gz OBORTNPVJMQVDR-UHFFFAOYSA-N -1 0 330.300 2.140 20 5 EEBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)C(=O)[O-] ZINC001595987454 983238722 /nfs/dbraw/zinc/23/87/22/983238722.db2.gz HEJVHKBLLLCBKO-QMMMGPOBSA-N -1 0 341.341 2.296 20 5 EEBDRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC001588939846 984631258 /nfs/dbraw/zinc/63/12/58/984631258.db2.gz UGUXSTNMLRUWQT-SLWQEBJJSA-N -1 0 341.323 2.335 20 5 EEBDRM C[C@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001599893902 984729257 /nfs/dbraw/zinc/72/92/57/984729257.db2.gz IYZFLRPVTMUWAY-QMABLASFSA-N -1 0 333.344 2.208 20 5 EEBDRM CC(=O)N(C)C1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001589041540 985106219 /nfs/dbraw/zinc/10/62/19/985106219.db2.gz PHCUDZLKZRDATN-UHFFFAOYSA-N -1 0 335.360 2.049 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001597249166 987231717 /nfs/dbraw/zinc/23/17/17/987231717.db2.gz HHGLIRGXRFGYKT-ODVCRQGFSA-N -1 0 341.389 2.180 20 5 EEBDRM CC(C)(C)[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)[O-] ZINC001589719411 987879628 /nfs/dbraw/zinc/87/96/28/987879628.db2.gz GKRXAGBGUASRHU-GFCCVEGCSA-N -1 0 334.332 2.234 20 5 EEBDRM CSCC[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001599796719 988109796 /nfs/dbraw/zinc/10/97/96/988109796.db2.gz UUFAPJUUWQDEFW-NTYUQYKDSA-N -1 0 325.342 2.358 20 5 EEBDRM CSCc1nc(CNc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC001599804716 988235936 /nfs/dbraw/zinc/23/59/36/988235936.db2.gz APDSUQHAJPWWHH-HWKANZROSA-N -1 0 349.372 2.286 20 5 EEBDRM CCn1cccc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597911229 989807957 /nfs/dbraw/zinc/80/79/57/989807957.db2.gz PFCBRGSOQVKFRB-MRXNPFEDSA-N -1 0 331.328 2.146 20 5 EEBDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001590480028 990059943 /nfs/dbraw/zinc/05/99/43/990059943.db2.gz LMJZEQTZYFCAKL-MGPQQGTHSA-N -1 0 334.372 2.281 20 5 EEBDRM COc1ccccc1CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599704100 991266500 /nfs/dbraw/zinc/26/65/00/991266500.db2.gz PWXYWLFPGNIREL-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM COc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1[N+](=O)[O-] ZINC001599640640 994353415 /nfs/dbraw/zinc/35/34/15/994353415.db2.gz GCKULBDYSSIKOL-ZDUSSCGKSA-N -1 0 348.286 2.298 20 5 EEBDRM C[C@@H](NCc1cccnc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593304395 994746424 /nfs/dbraw/zinc/74/64/24/994746424.db2.gz MOHOAVNAYPKDJB-LLVKDONJSA-N -1 0 331.328 2.304 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001593666942 996054300 /nfs/dbraw/zinc/05/43/00/996054300.db2.gz GBTHZOMNBZLXNZ-ZWKOPEQDSA-N -1 0 338.385 2.445 20 5 EEBDRM COC[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001599205700 997403390 /nfs/dbraw/zinc/40/33/90/997403390.db2.gz PFFMYHJDXLWVDF-JTQLQIEISA-N -1 0 337.332 2.102 20 5 EEBDRM COc1c(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cccc1[N+](=O)[O-] ZINC001599328628 997707570 /nfs/dbraw/zinc/70/75/70/997707570.db2.gz MQUMAOIUSLKGLH-UHFFFAOYSA-N -1 0 334.328 2.215 20 5 EEBDRM COc1cc(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)ccc1[N+](=O)[O-] ZINC001599350662 998087215 /nfs/dbraw/zinc/08/72/15/998087215.db2.gz KDALQSAXPBMZBH-UHFFFAOYSA-N -1 0 334.328 2.215 20 5 EEBDRM C[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001594359246 999357290 /nfs/dbraw/zinc/35/72/90/999357290.db2.gz CONLPQYZQREVJD-ZJUUUORDSA-N -1 0 342.373 2.008 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cccs2)c1 ZINC001608915521 1124113238 /nfs/dbraw/zinc/11/32/38/1124113238.db2.gz AACRPRJYAWUWGJ-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM O=C(NCc1nc(-c2cccs2)no1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160148214 237235959 /nfs/dbraw/zinc/23/59/59/237235959.db2.gz CFNRMJOWXOOKKF-UHFFFAOYSA-N -1 0 346.324 2.342 20 5 EEBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000261926378 201200157 /nfs/dbraw/zinc/20/01/57/201200157.db2.gz ISZOUESWKQTHGH-SNVBAGLBSA-N -1 0 338.263 2.136 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000237561750 296105101 /nfs/dbraw/zinc/10/51/01/296105101.db2.gz SGFOFDGHIUFTJX-IJLUTSLNSA-N -1 0 349.387 2.280 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000237973448 304141179 /nfs/dbraw/zinc/14/11/79/304141179.db2.gz QQRJXOYXPYAYFX-WHOFXGATSA-N -1 0 332.356 2.382 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)Nc1ccccc1 ZINC000075137263 203306334 /nfs/dbraw/zinc/30/63/34/203306334.db2.gz PIOZDEIFAJOZIG-JTQLQIEISA-N -1 0 329.312 2.057 20 5 EEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262970414 245276986 /nfs/dbraw/zinc/27/69/86/245276986.db2.gz MQRPRHQTTGKMDL-MKBNYLNASA-N -1 0 347.371 2.109 20 5 EEBDRM COc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000262972482 245277815 /nfs/dbraw/zinc/27/78/15/245277815.db2.gz KBXFKUBYNDZYTK-RNCFNFMXSA-N -1 0 336.344 2.237 20 5 EEBDRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000194805002 256007803 /nfs/dbraw/zinc/00/78/03/256007803.db2.gz VLXRIZNDUHKXQX-UHFFFAOYSA-N -1 0 340.361 2.430 20 5 EEBDRM COc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000272853957 256244020 /nfs/dbraw/zinc/24/40/20/256244020.db2.gz VYJBYPBPYLTMDU-UHFFFAOYSA-N -1 0 346.343 2.287 20 5 EEBDRM Cc1cc(C2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000273480765 256300432 /nfs/dbraw/zinc/30/04/32/256300432.db2.gz KTHZRLKWSXUTHD-UHFFFAOYSA-N -1 0 330.344 2.352 20 5 EEBDRM Cc1cccc2nc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)n(C)c21 ZINC000158489742 143785973 /nfs/dbraw/zinc/78/59/73/143785973.db2.gz DUQITBJPFIOHIR-UHFFFAOYSA-N -1 0 340.339 2.426 20 5 EEBDRM C/C=C/C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262849763 152328290 /nfs/dbraw/zinc/32/82/90/152328290.db2.gz WOGKHGJNDFPPCM-YWVDXFKGSA-N -1 0 333.344 2.318 20 5 EEBDRM O=C(Nc1ccn(CC(F)(F)F)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000127365116 292323982 /nfs/dbraw/zinc/32/39/82/292323982.db2.gz WYIOPLGFZNFEAH-UHFFFAOYSA-N -1 0 330.222 2.312 20 5 EEBDRM COc1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000261674461 160407022 /nfs/dbraw/zinc/40/70/22/160407022.db2.gz MAMGRUQNRYLSHW-LBPRGKRZSA-N -1 0 336.344 2.463 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000131461114 292388451 /nfs/dbraw/zinc/38/84/51/292388451.db2.gz FLDVOGAPAZXKNC-VIFPVBQESA-N -1 0 341.323 2.286 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(C)c2)c([N+](=O)[O-])c1 ZINC000103425726 159277730 /nfs/dbraw/zinc/27/77/30/159277730.db2.gz AHOLFSBYZFKZFZ-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1c(NC(=O)C(=O)NCc2ccc(O)c(F)c2)cccc1[N+](=O)[O-] ZINC000121003064 159398796 /nfs/dbraw/zinc/39/87/96/159398796.db2.gz ACIMGXPVVCHIDT-UHFFFAOYSA-N -1 0 347.302 2.003 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000238012330 160227530 /nfs/dbraw/zinc/22/75/30/160227530.db2.gz YSXOJVMPQUOALV-MRXNPFEDSA-N -1 0 343.339 2.339 20 5 EEBDRM O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000342240149 161050146 /nfs/dbraw/zinc/05/01/46/161050146.db2.gz XZQFXNNEVWGLEN-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM CCOC(=O)c1ccnc(NCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000347233706 161436314 /nfs/dbraw/zinc/43/63/14/161436314.db2.gz MMSJTJOHPAQHSH-UHFFFAOYSA-N -1 0 345.311 2.477 20 5 EEBDRM COC(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000354944461 163027358 /nfs/dbraw/zinc/02/73/58/163027358.db2.gz UOPPRKXIADOLFZ-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000358848872 163998324 /nfs/dbraw/zinc/99/83/24/163998324.db2.gz AQDBZCBFHYPYMX-LLVKDONJSA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1ccc(S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000275025582 269085562 /nfs/dbraw/zinc/08/55/62/269085562.db2.gz BPJJOZVQALAXFR-JTQLQIEISA-N -1 0 344.389 2.071 20 5 EEBDRM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000279727505 269302986 /nfs/dbraw/zinc/30/29/86/269302986.db2.gz IXHKALHJHNSNEL-SNVBAGLBSA-N -1 0 346.343 2.180 20 5 EEBDRM CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000275206437 274227104 /nfs/dbraw/zinc/22/71/04/274227104.db2.gz ZJWFGSZDJUVGDX-CABZTGNLSA-N -1 0 344.389 2.023 20 5 EEBDRM Cn1nc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1C1CC1 ZINC000290453258 275208812 /nfs/dbraw/zinc/20/88/12/275208812.db2.gz DKCBIZQNPCERMF-UHFFFAOYSA-N -1 0 340.336 2.146 20 5 EEBDRM COc1ccccc1C([O-])=CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336868140 295349335 /nfs/dbraw/zinc/34/93/35/295349335.db2.gz RHNDYQHOULSWRY-UHFFFAOYSA-N -1 0 335.337 2.260 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330809496 311788294 /nfs/dbraw/zinc/78/82/94/311788294.db2.gz BCEYYQGFPURHKD-RYUDHWBXSA-N -1 0 349.387 2.376 20 5 EEBDRM Cn1cc([C@@H]2CCCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000331995513 311934440 /nfs/dbraw/zinc/93/44/40/311934440.db2.gz ZZFHAMHHZDOHCX-HNNXBMFYSA-N -1 0 330.344 2.401 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000415633944 313155706 /nfs/dbraw/zinc/15/57/06/313155706.db2.gz WRJFERRRAXEXLS-NWDGAFQWSA-N -1 0 344.327 2.237 20 5 EEBDRM Cc1cc(N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)ccc1[N+](=O)[O-] ZINC000416447943 313225463 /nfs/dbraw/zinc/22/54/63/313225463.db2.gz SLHHAWTWBORVCA-GXTWGEPZSA-N -1 0 335.360 2.025 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000422557351 314281977 /nfs/dbraw/zinc/28/19/77/314281977.db2.gz JZBZDWPLGZSYRE-ONGXEEELSA-N -1 0 332.316 2.192 20 5 EEBDRM COCCN(Cc1cncs1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436809997 315000698 /nfs/dbraw/zinc/00/06/98/315000698.db2.gz QKTCDKNMAFSNLL-UHFFFAOYSA-N -1 0 337.357 2.046 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N(CCO)Cc1cccc(F)c1 ZINC000436820274 315001927 /nfs/dbraw/zinc/00/19/27/315001927.db2.gz QVQNJIVTPMEMKC-UHFFFAOYSA-N -1 0 334.303 2.074 20 5 EEBDRM O=C(NCc1ccc2c(c1)OCCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436944899 315015464 /nfs/dbraw/zinc/01/54/64/315015464.db2.gz CWGBZFLMNZWALS-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM COc1ccc2c(c1)OC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000436959748 315016885 /nfs/dbraw/zinc/01/68/85/315016885.db2.gz OAIHKBGOTBWAEL-NSHDSACASA-N -1 0 344.323 2.043 20 5 EEBDRM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436970964 315018094 /nfs/dbraw/zinc/01/80/94/315018094.db2.gz GWVONMJKFWIEGD-LBPRGKRZSA-N -1 0 336.344 2.247 20 5 EEBDRM CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCCC1 ZINC000436991355 315020621 /nfs/dbraw/zinc/02/06/21/315020621.db2.gz SPTVEUWSZVCSBU-UHFFFAOYSA-N -1 0 336.344 2.248 20 5 EEBDRM CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1C ZINC000440484081 315133670 /nfs/dbraw/zinc/13/36/70/315133670.db2.gz UBBYZHSROBNXMT-UHFFFAOYSA-N -1 0 333.300 2.068 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(O)c1 ZINC000442851619 315215535 /nfs/dbraw/zinc/21/55/35/315215535.db2.gz WYICMGQKOQUVMF-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM Cc1n[nH]cc1-c1nnc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC000444490010 315304245 /nfs/dbraw/zinc/30/42/45/315304245.db2.gz YWAVSTXBSQOMSS-UHFFFAOYSA-N -1 0 346.328 2.103 20 5 EEBDRM CN(C(=O)OC(C)(C)C)C1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000495775682 316103928 /nfs/dbraw/zinc/10/39/28/316103928.db2.gz RZGBPKRDZIXXSV-UHFFFAOYSA-N -1 0 339.348 2.479 20 5 EEBDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cn1C)C(=O)[O-] ZINC000538476043 318036560 /nfs/dbraw/zinc/03/65/60/318036560.db2.gz UYGWOSMSWBBBMR-LBPRGKRZSA-N -1 0 345.355 2.296 20 5 EEBDRM CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000547810926 318325081 /nfs/dbraw/zinc/32/50/81/318325081.db2.gz PGBWSTYYNDCWOF-MRXNPFEDSA-N -1 0 328.324 2.231 20 5 EEBDRM Cc1ccc(S(=O)(=O)NC(C)(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548292460 318371685 /nfs/dbraw/zinc/37/16/85/318371685.db2.gz IQIXAHUEGUHMSF-SNVBAGLBSA-N -1 0 344.389 2.071 20 5 EEBDRM CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565060330 319145240 /nfs/dbraw/zinc/14/52/40/319145240.db2.gz AIOGAANFFHSCJV-ZJUUUORDSA-N -1 0 342.373 2.102 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000566182783 319257397 /nfs/dbraw/zinc/25/73/97/319257397.db2.gz OYILYAOROCMGLC-AWEZNQCLSA-N -1 0 344.389 2.071 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H](CO)CC1 ZINC000568868471 319525628 /nfs/dbraw/zinc/52/56/28/319525628.db2.gz UWZTZUNAXVYMLQ-SECBINFHSA-N -1 0 328.752 2.188 20 5 EEBDRM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000573569279 319946985 /nfs/dbraw/zinc/94/69/85/319946985.db2.gz PQZDZNAYJQBULT-MWLCHTKSSA-N -1 0 342.373 2.150 20 5 EEBDRM O=C(NCC1CCN(CC(F)F)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000577147033 320235496 /nfs/dbraw/zinc/23/54/96/320235496.db2.gz XDLJUNNCZOYRDC-UHFFFAOYSA-N -1 0 343.330 2.007 20 5 EEBDRM C[C@H]1COCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000577399798 320253874 /nfs/dbraw/zinc/25/38/74/320253874.db2.gz LUSKWPAEBVGTBQ-IUCAKERBSA-N -1 0 328.752 2.356 20 5 EEBDRM CCOCCOCCN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000578536687 323650961 /nfs/dbraw/zinc/65/09/61/323650961.db2.gz LCGGGEIDYRMRDW-UHFFFAOYSA-N -1 0 326.349 2.091 20 5 EEBDRM O=C(NCc1ccc(OC(F)F)cn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000581289924 324221263 /nfs/dbraw/zinc/22/12/63/324221263.db2.gz SNBYXWUDUAXGMQ-UHFFFAOYSA-N -1 0 339.254 2.227 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(c3ccncc3)CC2)n1 ZINC000583206681 324616870 /nfs/dbraw/zinc/61/68/70/324616870.db2.gz HIDNJVXFKIEBDK-UHFFFAOYSA-N -1 0 328.328 2.467 20 5 EEBDRM CCO[C@H]1C[C@](O)(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1(C)C ZINC000583755963 324726829 /nfs/dbraw/zinc/72/68/29/324726829.db2.gz LDXFEBCYTGDLGW-BBRMVZONSA-N -1 0 338.360 2.271 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000326478345 465039649 /nfs/dbraw/zinc/03/96/49/465039649.db2.gz KGYUZTNSNJJFLO-OAHLLOKOSA-N -1 0 343.339 2.262 20 5 EEBDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000336867220 465059280 /nfs/dbraw/zinc/05/92/80/465059280.db2.gz LMLLGYROYPGVMQ-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM CC(C)C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000336877189 465070349 /nfs/dbraw/zinc/07/03/49/465070349.db2.gz NNEKDMFPCNVFAY-CYBMUJFWSA-N -1 0 337.376 2.183 20 5 EEBDRM CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@@H](CC)C1 ZINC000339352873 465219493 /nfs/dbraw/zinc/21/94/93/465219493.db2.gz QXCFUZNRNGPVHS-GXTWGEPZSA-N -1 0 337.376 2.128 20 5 EEBDRM COc1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc([N+](=O)[O-])c1C ZINC000590701850 468312882 /nfs/dbraw/zinc/31/28/82/468312882.db2.gz KMYMRCDEBMPQCX-LBPRGKRZSA-N -1 0 336.344 2.381 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1 ZINC000047211491 462756177 /nfs/dbraw/zinc/75/61/77/462756177.db2.gz JKFUHYQHTXHXGC-UHFFFAOYSA-N -1 0 330.325 2.339 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nccc(-c2ccco2)n1 ZINC000130632260 462767189 /nfs/dbraw/zinc/76/71/89/462767189.db2.gz VJVHQOXKMUKFDB-UHFFFAOYSA-N -1 0 346.324 2.446 20 5 EEBDRM O=C1CCc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2N1 ZINC000008962475 462797736 /nfs/dbraw/zinc/79/77/36/462797736.db2.gz BLYOSZHTZWAPPV-UHFFFAOYSA-N -1 0 347.352 2.280 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000013036182 462883290 /nfs/dbraw/zinc/88/32/90/462883290.db2.gz OAKZBSFMQOQATA-NSHDSACASA-N -1 0 343.339 2.410 20 5 EEBDRM CCCc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000092866059 462985744 /nfs/dbraw/zinc/98/57/44/462985744.db2.gz JCGXVSBCQKCDJF-UHFFFAOYSA-N -1 0 338.389 2.390 20 5 EEBDRM O=C(NCc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000017861071 463003168 /nfs/dbraw/zinc/00/31/68/463003168.db2.gz JIUUTFLGPYMYAE-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000120874099 463048651 /nfs/dbraw/zinc/04/86/51/463048651.db2.gz MMDQZBYFKMWDOX-AWEZNQCLSA-N -1 0 347.327 2.287 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(F)F)c(C(F)(F)F)c1 ZINC000163405624 463586706 /nfs/dbraw/zinc/58/67/06/463586706.db2.gz UVJUSGYPWBTPJS-UHFFFAOYSA-N -1 0 334.222 2.157 20 5 EEBDRM Cc1ccc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000194744215 463921416 /nfs/dbraw/zinc/92/14/16/463921416.db2.gz IESMDLBQQLISCW-UHFFFAOYSA-N -1 0 343.339 2.320 20 5 EEBDRM Nc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262221706 463976280 /nfs/dbraw/zinc/97/62/80/463976280.db2.gz XHKFRBCXWVYWLM-IUPBHXKESA-N -1 0 333.344 2.035 20 5 EEBDRM CCCC[C@@H](NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000263340443 464088503 /nfs/dbraw/zinc/08/85/03/464088503.db2.gz RTEHOFSKUILBAZ-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1ccc(NC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1[N+](=O)[O-] ZINC000179381552 464124650 /nfs/dbraw/zinc/12/46/50/464124650.db2.gz WKEFLAGIBFZWAR-UHFFFAOYSA-N -1 0 327.300 2.143 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000263542363 464126467 /nfs/dbraw/zinc/12/64/67/464126467.db2.gz RPRIJIXVTBCBRS-CMPLNLGQSA-N -1 0 336.344 2.176 20 5 EEBDRM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179438087 464136346 /nfs/dbraw/zinc/13/63/46/464136346.db2.gz LRYXWDVFFMIPKG-UHFFFAOYSA-N -1 0 343.217 2.260 20 5 EEBDRM CC(C)CC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000179456421 464139846 /nfs/dbraw/zinc/13/98/46/464139846.db2.gz KEAAFFGQRJISBA-UHFFFAOYSA-N -1 0 349.387 2.067 20 5 EEBDRM Cc1cccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])cn21 ZINC000179489951 464146026 /nfs/dbraw/zinc/14/60/26/464146026.db2.gz LQGQCXCILABXOE-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)CC(=O)[O-] ZINC000271939222 464421212 /nfs/dbraw/zinc/42/12/12/464421212.db2.gz FCVQLRRMJPGJIO-GFCCVEGCSA-N -1 0 349.387 2.426 20 5 EEBDRM Cc1noc(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1F ZINC000282385037 464798825 /nfs/dbraw/zinc/79/88/25/464798825.db2.gz WZCXWYBLZOZMPX-UHFFFAOYSA-N -1 0 329.309 2.448 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)c(F)c1 ZINC000177090876 464928098 /nfs/dbraw/zinc/92/80/98/464928098.db2.gz CVTHPLGTTZYARL-UHFFFAOYSA-N -1 0 348.315 2.478 20 5 EEBDRM COC(=O)Cc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356757477 465522714 /nfs/dbraw/zinc/52/27/14/465522714.db2.gz AJEVNEHKFBDWKL-UHFFFAOYSA-N -1 0 330.296 2.268 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000348420967 465597164 /nfs/dbraw/zinc/59/71/64/465597164.db2.gz LODLBZSWACFRJA-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM Nc1c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000362437736 465737822 /nfs/dbraw/zinc/73/78/22/465737822.db2.gz OVGLRZOLMYRBGO-LBPRGKRZSA-N -1 0 347.302 2.262 20 5 EEBDRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000330937155 465866431 /nfs/dbraw/zinc/86/64/31/465866431.db2.gz ABEQDLPEFXXKJX-UHFFFAOYSA-N -1 0 330.391 2.116 20 5 EEBDRM O=c1[n-]c(CCCNc2ccc([N+](=O)[O-])cc2OC(F)F)n[nH]1 ZINC000357323703 465948732 /nfs/dbraw/zinc/94/87/32/465948732.db2.gz MYBUICPLRBZBHM-UHFFFAOYSA-N -1 0 329.263 2.065 20 5 EEBDRM Cn1nccc1[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000338314113 466016750 /nfs/dbraw/zinc/01/67/50/466016750.db2.gz HLROCNVRBFKOMX-LLVKDONJSA-N -1 0 330.344 2.054 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(CC3CC3)nc2)c([N+](=O)[O-])c1 ZINC000340643221 466236700 /nfs/dbraw/zinc/23/67/00/466236700.db2.gz SGCBBNPTHYEIKF-UHFFFAOYSA-N -1 0 348.384 2.447 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3sccc3C2)ccc1[O-] ZINC000314368456 466548968 /nfs/dbraw/zinc/54/89/68/466548968.db2.gz ONDAUOHTMGJFDD-UHFFFAOYSA-N -1 0 340.382 2.109 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1[O-] ZINC000319035032 466593111 /nfs/dbraw/zinc/59/31/11/466593111.db2.gz JERZIBYUFGHSAD-UHFFFAOYSA-N -1 0 326.374 2.469 20 5 EEBDRM COc1cc(CNc2cnc3c(c2)COCC3)cc([N+](=O)[O-])c1[O-] ZINC000375037772 466779154 /nfs/dbraw/zinc/77/91/54/466779154.db2.gz JVXIBVUBZVJPBQ-UHFFFAOYSA-N -1 0 331.328 2.389 20 5 EEBDRM O=C(NC1(CO)C2CC3CC(C2)CC1C3)c1cccc([N+](=O)[O-])c1[O-] ZINC000413956167 467349715 /nfs/dbraw/zinc/34/97/15/467349715.db2.gz RSEQOWQVUROOKK-UHFFFAOYSA-N -1 0 346.383 2.217 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCSCC(F)(F)F)n1 ZINC000518540681 468120069 /nfs/dbraw/zinc/12/00/69/468120069.db2.gz VYLXIKKHMDEIKR-UHFFFAOYSA-N -1 0 325.268 2.395 20 5 EEBDRM CC(C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000594540997 468617750 /nfs/dbraw/zinc/61/77/50/468617750.db2.gz ORBPRRLAASDCLO-LBPRGKRZSA-N -1 0 335.360 2.256 20 5 EEBDRM C[C@H]1CC[C@@](NC(=O)NCc2cccc([N+](=O)[O-])c2)(C(=O)[O-])CC1 ZINC000594685794 468652995 /nfs/dbraw/zinc/65/29/95/468652995.db2.gz LUTUUGKSAJZPIF-SXUIPJSXSA-N -1 0 335.360 2.428 20 5 EEBDRM COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000600883065 468675669 /nfs/dbraw/zinc/67/56/69/468675669.db2.gz WEYZIFADGGPKPN-RWMBFGLXSA-N -1 0 348.355 2.319 20 5 EEBDRM Cc1noc([C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000592756924 468776829 /nfs/dbraw/zinc/77/68/29/468776829.db2.gz BSMGUTCUNAGAIT-YFKPBYRVSA-N -1 0 326.696 2.136 20 5 EEBDRM O=C([O-])c1cc(N2CCO[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000595280357 468799501 /nfs/dbraw/zinc/79/95/01/468799501.db2.gz FESIEEWBEYYLEH-VIFPVBQESA-N -1 0 334.250 2.451 20 5 EEBDRM COc1ccc(CN(C)c2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000592966620 468830147 /nfs/dbraw/zinc/83/01/47/468830147.db2.gz CFRJMEXBEFSQEV-UHFFFAOYSA-N -1 0 347.327 2.342 20 5 EEBDRM Cc1ccc(C[C@@H](CO)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000592976684 468831766 /nfs/dbraw/zinc/83/17/66/468831766.db2.gz GPKCJZFHUXMNKQ-ZDUSSCGKSA-N -1 0 345.355 2.320 20 5 EEBDRM CCc1nn(C)c(CC)c1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592978090 468832644 /nfs/dbraw/zinc/83/26/44/468832644.db2.gz BLSGJCUKMURLIR-UHFFFAOYSA-N -1 0 333.348 2.158 20 5 EEBDRM CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598485579 468883825 /nfs/dbraw/zinc/88/38/25/468883825.db2.gz REMJQCHPHFVHAE-BBRMVZONSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C([O-])[C@H]1CCCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000598658385 468948879 /nfs/dbraw/zinc/94/88/79/468948879.db2.gz KLIKIUQNZJMOIU-OAHLLOKOSA-N -1 0 345.355 2.405 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H](CC)CO1 ZINC000593695922 469098256 /nfs/dbraw/zinc/09/82/56/469098256.db2.gz CXQYSEWVOCLNJG-TZMCWYRMSA-N -1 0 336.344 2.323 20 5 EEBDRM CN(Cc1n[n-]c(=O)o1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000588849232 469172027 /nfs/dbraw/zinc/17/20/27/469172027.db2.gz QHSWDJUWDUKQOH-UHFFFAOYSA-N -1 0 334.313 2.170 20 5 EEBDRM CCOc1ccccc1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573729651 469195232 /nfs/dbraw/zinc/19/52/32/469195232.db2.gz ZKOOQPAGXNPIFP-UHFFFAOYSA-N -1 0 331.328 3.007 20 5 EEBDRM C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000563201824 469197723 /nfs/dbraw/zinc/19/77/23/469197723.db2.gz PIOMORYWBYJCCY-RFAUZJTJSA-N -1 0 340.763 2.360 20 5 EEBDRM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000611292115 469221180 /nfs/dbraw/zinc/22/11/80/469221180.db2.gz TVUARHCJURSWAE-JTQLQIEISA-N -1 0 339.348 2.477 20 5 EEBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000611478692 469257512 /nfs/dbraw/zinc/25/75/12/469257512.db2.gz UYOYQKYJQWZBAE-SNVBAGLBSA-N -1 0 335.360 2.140 20 5 EEBDRM O=C(NC[C@@H]1OCCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534988 469274152 /nfs/dbraw/zinc/27/41/52/469274152.db2.gz QCMOWOPXMPGLBC-INIZCTEOSA-N -1 0 328.324 2.344 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CC23CCSCC3)n1 ZINC000574639843 469277882 /nfs/dbraw/zinc/27/78/82/469277882.db2.gz FNCQZWMPAAZMFF-JTQLQIEISA-N -1 0 337.401 2.942 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccc(O)cc2CC1 ZINC000611555865 469278494 /nfs/dbraw/zinc/27/84/94/469278494.db2.gz UWIXOWKKCJBNDC-UHFFFAOYSA-N -1 0 328.324 2.247 20 5 EEBDRM O=C(Nc1c[nH]nc1-c1nccs1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000618495453 469369764 /nfs/dbraw/zinc/36/97/64/469369764.db2.gz PMTGUFYTRCDBQP-UHFFFAOYSA-N -1 0 331.313 2.399 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnc2[nH]cnc2c1 ZINC000612627790 469511885 /nfs/dbraw/zinc/51/18/85/469511885.db2.gz COOVUBOHEVAAGD-UHFFFAOYSA-N -1 0 333.691 2.477 20 5 EEBDRM Cn1nc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc21 ZINC000612777808 469548700 /nfs/dbraw/zinc/54/87/00/469548700.db2.gz UAHKXUVTYSLSRT-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM COc1cccc2c1OC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000613931180 469818847 /nfs/dbraw/zinc/81/88/47/469818847.db2.gz ZEQBUAZALZQJTG-LLVKDONJSA-N -1 0 344.323 2.043 20 5 EEBDRM Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)nc2ccccc12 ZINC000608839086 469882641 /nfs/dbraw/zinc/88/26/41/469882641.db2.gz LSLJCVOBBSVETE-UHFFFAOYSA-N -1 0 338.323 2.482 20 5 EEBDRM CC(=O)NCc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356592120 534509009 /nfs/dbraw/zinc/50/90/09/534509009.db2.gz JLTWRVPVFZUYGM-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM CC(C)[C@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000262766934 535261799 /nfs/dbraw/zinc/26/17/99/535261799.db2.gz KYBSBEXAUANABP-TZMCWYRMSA-N -1 0 336.344 2.226 20 5 EEBDRM Cc1cccc(CN(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000738308154 578008883 /nfs/dbraw/zinc/00/88/83/578008883.db2.gz MZOSRHJKLMMTRC-UHFFFAOYSA-N -1 0 329.312 2.269 20 5 EEBDRM Cc1c(C(=O)N(C)C(C)(C)C(=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738252601 576255191 /nfs/dbraw/zinc/25/51/91/576255191.db2.gz GOUGLVIZSWOBRF-UHFFFAOYSA-N -1 0 339.304 2.055 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)CCSC[C@@H](C)C(=O)[O-] ZINC000738069277 576384813 /nfs/dbraw/zinc/38/48/13/576384813.db2.gz ZPGLBNHEMUXNIL-SECBINFHSA-N -1 0 342.373 2.386 20 5 EEBDRM Cc1cc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c2ccccc2n1 ZINC000738397530 576386382 /nfs/dbraw/zinc/38/63/82/576386382.db2.gz RVGFTNANGRDHJL-UHFFFAOYSA-N -1 0 339.307 2.360 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000732903655 577196696 /nfs/dbraw/zinc/19/66/96/577196696.db2.gz LZBXOQKXJWSHIU-JTQLQIEISA-N -1 0 343.405 2.132 20 5 EEBDRM COCC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000768938579 577566080 /nfs/dbraw/zinc/56/60/80/577566080.db2.gz NLDJTADOTCIAPH-UHFFFAOYSA-N -1 0 345.311 2.138 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](F)c1ccccc1 ZINC000769278002 577573934 /nfs/dbraw/zinc/57/39/34/577573934.db2.gz ACLOZDSYKBTODA-ZDUSSCGKSA-N -1 0 338.316 2.111 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccnn1C ZINC000769629738 577581549 /nfs/dbraw/zinc/58/15/49/577581549.db2.gz DDVHHXUYHCNAQR-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000755910937 577834128 /nfs/dbraw/zinc/83/41/28/577834128.db2.gz SNGHRWFPQWHQTC-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM Cc1ccc(C(=O)OCc2noc(CCCC(=O)[O-])n2)cc1[N+](=O)[O-] ZINC000738547070 578019005 /nfs/dbraw/zinc/01/90/05/578019005.db2.gz NUKWUCBGBIUJQL-UHFFFAOYSA-N -1 0 349.299 2.051 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(c1cc3c(cc1[N+](=O)[O-])CCC(=O)N3)CC2 ZINC000740305433 578089672 /nfs/dbraw/zinc/08/96/72/578089672.db2.gz HOLPUMYUDGBHCH-NSHDSACASA-N -1 0 345.355 2.171 20 5 EEBDRM CC(=O)c1cnc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000736197418 578186556 /nfs/dbraw/zinc/18/65/56/578186556.db2.gz ZCMUAQZZPPZMHU-UHFFFAOYSA-N -1 0 335.297 2.204 20 5 EEBDRM CC(C)[C@H]1CCCN1c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736656831 578216881 /nfs/dbraw/zinc/21/68/81/578216881.db2.gz MTDKPVPXOGXQNK-WCQYABFASA-N -1 0 349.387 2.423 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCNC(=O)[O-] ZINC000737451492 578258443 /nfs/dbraw/zinc/25/84/43/578258443.db2.gz OBXFSWGVEQEVOG-UHFFFAOYSA-N -1 0 329.740 2.254 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000819972738 597710032 /nfs/dbraw/zinc/71/00/32/597710032.db2.gz SWLTYLGMDHYRGX-VIFPVBQESA-N -1 0 346.286 2.425 20 5 EEBDRM O=C([O-])CCCOC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000821524104 597848496 /nfs/dbraw/zinc/84/84/96/597848496.db2.gz XKEINDOBIOFDKG-UHFFFAOYSA-N -1 0 332.106 2.379 20 5 EEBDRM CC[C@@](C)(NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828693501 601151871 /nfs/dbraw/zinc/15/18/71/601151871.db2.gz XYNMEXUPIOFVDI-GFCCVEGCSA-N -1 0 345.149 2.340 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000833234909 601514455 /nfs/dbraw/zinc/51/44/55/601514455.db2.gz QMAJYMOCCGSEJZ-UHFFFAOYSA-N -1 0 343.339 2.036 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000263211471 602088333 /nfs/dbraw/zinc/08/83/33/602088333.db2.gz IVIFLFJVWUJKNJ-CQSZACIVSA-N -1 0 341.751 2.254 20 5 EEBDRM CCOC(=O)c1cc(N[C@H]2CCCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000829877898 602104629 /nfs/dbraw/zinc/10/46/29/602104629.db2.gz BVDKCUYUHAMCDG-NSHDSACASA-N -1 0 337.332 2.326 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cccc([N+](=O)[O-])c1N ZINC000830390672 602267370 /nfs/dbraw/zinc/26/73/70/602267370.db2.gz MSASDRKZGJHWDK-UHFFFAOYSA-N -1 0 334.284 2.388 20 5 EEBDRM Cc1cc(NC[C@H](O)COc2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896650 602313916 /nfs/dbraw/zinc/31/39/16/602313916.db2.gz JWAAGOUPFCYBNE-ZDUSSCGKSA-N -1 0 346.339 2.453 20 5 EEBDRM Cc1cc(NCCC(=O)N2CCCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897018 602314072 /nfs/dbraw/zinc/31/40/72/602314072.db2.gz JFLFNXPTHJALTD-UHFFFAOYSA-N -1 0 335.360 2.416 20 5 EEBDRM O=C([O-])N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000832024161 603270769 /nfs/dbraw/zinc/27/07/69/603270769.db2.gz HABFKVUFRNQGEE-UHFFFAOYSA-N -1 0 347.249 2.049 20 5 EEBDRM CC(C)CN(CCC(=O)[O-])c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000826876029 604777798 /nfs/dbraw/zinc/77/77/98/604777798.db2.gz OHUUHEGFTBOCGD-UHFFFAOYSA-N -1 0 335.360 2.417 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000821406314 605020448 /nfs/dbraw/zinc/02/04/48/605020448.db2.gz LOTDAYHYVHTQAD-UHFFFAOYSA-N -1 0 331.328 2.449 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)c2c[nH]c3ncccc23)c([N+](=O)[O-])c1 ZINC000833781512 605092461 /nfs/dbraw/zinc/09/24/61/605092461.db2.gz DFLBLOSWASRIOJ-UHFFFAOYSA-N -1 0 341.279 2.431 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1C1CC1 ZINC000176074515 677699424 /nfs/dbraw/zinc/69/94/24/677699424.db2.gz UJVDAKOHYAHVOP-ZJUUUORDSA-N -1 0 344.776 2.099 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000262104206 683709857 /nfs/dbraw/zinc/70/98/57/683709857.db2.gz CSXATWGORQTXPI-NOZJJQNGSA-N -1 0 338.385 2.445 20 5 EEBDRM O=C(OCc1n[nH]c(=O)[n-]1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811372496 1200004590 /nfs/dbraw/zinc/00/45/90/1200004590.db2.gz BHJRHWVFELIBTJ-UHFFFAOYSA-N -1 0 333.087 2.082 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)c1cccc(F)c1 ZINC000779675891 1210752033 /nfs/dbraw/zinc/75/20/33/1210752033.db2.gz OEJOPQYJGLOBHH-RFAUZJTJSA-N -1 0 334.303 2.291 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000194722439 1211259662 /nfs/dbraw/zinc/25/96/62/1211259662.db2.gz XUOLHAJQPRSFSD-UHFFFAOYSA-N -1 0 338.316 2.470 20 5 EEBDRM CC1(O)CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843817631 1285914554 /nfs/dbraw/zinc/91/45/54/1285914554.db2.gz PLCXFNCQUJJEIU-UHFFFAOYSA-N -1 0 328.752 2.377 20 5 EEBDRM CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000852954928 1292239584 /nfs/dbraw/zinc/23/95/84/1292239584.db2.gz XLYQKNWXFBEFPH-ZETCQYMHSA-N -1 0 332.715 2.251 20 5 EEBDRM O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001226387182 1301390297 /nfs/dbraw/zinc/39/02/97/1301390297.db2.gz YKDFKPBTMYVCHO-CQSZACIVSA-N -1 0 345.307 2.393 20 5 EEBDRM CCC[C@H](Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-])[C@H](C)CC ZINC001226651968 1301495055 /nfs/dbraw/zinc/49/50/55/1301495055.db2.gz KUEWFLCZKHPBAF-BDAKNGLRSA-N -1 0 327.337 2.471 20 5 EEBDRM CCC[C@@H](CC(=O)OC)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094944 1301683831 /nfs/dbraw/zinc/68/38/31/1301683831.db2.gz GQCSGMQAWYGXRJ-JTQLQIEISA-N -1 0 335.316 2.354 20 5 EEBDRM CSc1nc(O[C@H](C)c2cccnc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227626914 1301915432 /nfs/dbraw/zinc/91/54/32/1301915432.db2.gz CFICXPBWTDGMAP-ZCFIWIBFSA-N -1 0 326.309 2.486 20 5 EEBDRM CCCCOC[C@@H](C)OC[C@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229377296 1302754365 /nfs/dbraw/zinc/75/43/65/1302754365.db2.gz ATYNBIKVASDOFJ-MNOVXSKESA-N -1 0 343.380 2.388 20 5 EEBDRM CC1=C(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000781838705 1303876934 /nfs/dbraw/zinc/87/69/34/1303876934.db2.gz QHKVAROGWSQKRO-UHFFFAOYSA-N -1 0 328.321 2.039 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]Cc2ccncc2)c1 ZINC000798223994 1304952783 /nfs/dbraw/zinc/95/27/83/1304952783.db2.gz CLNSTHSUWKJMMM-UHFFFAOYSA-N -1 0 345.739 2.261 20 5 EEBDRM O=c1cc(-c2nnc(C3CCOCC3)o2)[n-]c2ccc([N+](=O)[O-])cc12 ZINC001255654865 1318504859 /nfs/dbraw/zinc/50/48/59/1318504859.db2.gz ASJHTTCCCOCQHB-UHFFFAOYSA-N -1 0 342.311 2.380 20 5 EEBDRM O=C([N-]CCNc1ncc(F)c2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC001164244294 1321328306 /nfs/dbraw/zinc/32/83/06/1321328306.db2.gz FIQXQVYIWVWFJP-UHFFFAOYSA-N -1 0 346.240 2.373 20 5 EEBDRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001601688906 1350338483 /nfs/dbraw/zinc/33/84/83/1350338483.db2.gz GYCYHWNLJFSKLL-OPRDCNLKSA-N -1 0 334.111 2.328 20 5 EEBDRM C[C@@H](CS(=O)(=O)Oc1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CC1 ZINC001604209360 1350893371 /nfs/dbraw/zinc/89/33/71/1350893371.db2.gz KTKKNBIRLLSODX-QMMMGPOBSA-N -1 0 329.330 2.048 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)n1 ZINC001607709786 1351543668 /nfs/dbraw/zinc/54/36/68/1351543668.db2.gz OTPAWUUQPADIQZ-ZDUSSCGKSA-N -1 0 343.339 2.114 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(c2nnn[n-]2)CC1 ZINC001310529494 1331696028 /nfs/dbraw/zinc/69/60/28/1331696028.db2.gz QPJRIAXMOBGSHG-UHFFFAOYSA-N -1 0 345.363 2.136 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@H]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC001608625612 1351728576 /nfs/dbraw/zinc/72/85/76/1351728576.db2.gz YCXUVXJSUQFDAT-UWVGGRQHSA-N -1 0 332.312 2.082 20 5 EEBDRM O=C([O-])CCCONC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001608716358 1351748047 /nfs/dbraw/zinc/74/80/47/1351748047.db2.gz JAUVTDWWBJZLSJ-UHFFFAOYSA-N -1 0 336.222 2.140 20 5 EEBDRM O=C([O-])CCc1csc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC001608741696 1351753781 /nfs/dbraw/zinc/75/37/81/1351753781.db2.gz XEXYSXSUBJWJRG-UHFFFAOYSA-N -1 0 335.341 2.250 20 5 EEBDRM O=C([O-])c1cc(C(=O)Oc2ccc3c(c2)CCO3)cc([N+](=O)[O-])c1 ZINC001608838533 1351775739 /nfs/dbraw/zinc/77/57/39/1351775739.db2.gz KXPIWIDXKPBOTK-UHFFFAOYSA-N -1 0 329.264 2.447 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2nc3c(s2)CCC3)cc([N+](=O)[O-])c1 ZINC001608855823 1351779784 /nfs/dbraw/zinc/77/97/84/1351779784.db2.gz FRAOMSTZFIQFGW-UHFFFAOYSA-N -1 0 333.325 2.491 20 5 EEBDRM O=C([O-])c1ccc(OCc2ncn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC001608908447 1351792024 /nfs/dbraw/zinc/79/20/24/1351792024.db2.gz ZFDFDDVJUCRPNM-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM CN(C)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC001321408562 1333097269 /nfs/dbraw/zinc/09/72/69/1333097269.db2.gz OBXJSQMSQGAODU-UHFFFAOYSA-N -1 0 329.356 2.339 20 5 EEBDRM O=C(CC(C1CC1)C1CC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC001327859122 1334356145 /nfs/dbraw/zinc/35/61/45/1334356145.db2.gz ISLYYXBPPXOCAO-UHFFFAOYSA-N -1 0 344.414 2.288 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001344438236 1337393669 /nfs/dbraw/zinc/39/36/69/1337393669.db2.gz MICIVZNQNKNEPU-UHFFFAOYSA-N -1 0 326.374 2.226 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCSCC(=O)[O-] ZINC001610206118 1352185591 /nfs/dbraw/zinc/18/55/91/1352185591.db2.gz SGXQSQQNUOQXFP-UHFFFAOYSA-N -1 0 348.764 2.265 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1 ZINC001610348271 1352208949 /nfs/dbraw/zinc/20/89/49/1352208949.db2.gz VPPRHLPKCLTDEW-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(Cc2cnn(C)c2)CC(C)C)n1 ZINC001610438080 1352222130 /nfs/dbraw/zinc/22/21/30/1352222130.db2.gz KAXJOANYUILBPW-UHFFFAOYSA-N -1 0 347.375 2.393 20 5 EEBDRM Cc1ccc([C@@H]2COCCN2c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])o1 ZINC001610437297 1352222330 /nfs/dbraw/zinc/22/23/30/1352222330.db2.gz PEZJCMWYALJJFM-LBPRGKRZSA-N -1 0 347.327 2.476 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001610511288 1352236136 /nfs/dbraw/zinc/23/61/36/1352236136.db2.gz KZNXBHPSVHRIFG-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)n1 ZINC001610795926 1352276181 /nfs/dbraw/zinc/27/61/81/1352276181.db2.gz VJZKMABVULOVEC-UHFFFAOYSA-N -1 0 347.352 2.348 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cccc3c2OCCO3)cc1[N+](=O)[O-] ZINC001610836338 1352283020 /nfs/dbraw/zinc/28/30/20/1352283020.db2.gz JJILKVDSIPENHY-UHFFFAOYSA-N -1 0 345.263 2.283 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](O)c2ccc(Cl)cc2)n1 ZINC001610840834 1352283242 /nfs/dbraw/zinc/28/32/42/1352283242.db2.gz DIFHUKSAMIEAFY-GFCCVEGCSA-N -1 0 337.719 2.487 20 5 EEBDRM Cc1nnc([C@@H](C)Nc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)s1 ZINC001592440744 1349632658 /nfs/dbraw/zinc/63/26/58/1349632658.db2.gz KHUJPLJURMWCOL-ZCFIWIBFSA-N -1 0 332.349 2.108 20 5 EEBDRM Cc1c(CC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001600008790 1349954535 /nfs/dbraw/zinc/95/45/35/1349954535.db2.gz BUZYNXXMRRKMRA-WOSRLPQWSA-N -1 0 332.356 2.157 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](C)[C@H]2CCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039923 1349960208 /nfs/dbraw/zinc/96/02/08/1349960208.db2.gz KJGARODNWOUNIW-UWVGGRQHSA-N -1 0 337.332 2.148 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC001600106676 1349972157 /nfs/dbraw/zinc/97/21/57/1349972157.db2.gz JDTNWGYIMXYSGL-QWHCGFSZSA-N -1 0 334.376 2.425 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2cn3ccsc3n2)n1 ZINC001600105922 1349972188 /nfs/dbraw/zinc/97/21/88/1349972188.db2.gz NOJXEFMGNTVCCZ-UHFFFAOYSA-N -1 0 333.329 2.318 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](OC(F)F)C2)n1 ZINC001600105849 1349972359 /nfs/dbraw/zinc/97/23/59/1349972359.db2.gz XCCFXTMFTNFSDX-MRVPVSSYSA-N -1 0 331.275 2.204 20 5 EEBDRM Cc1cc(C)cc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C(=O)[O-])c1 ZINC001600167469 1349984255 /nfs/dbraw/zinc/98/42/55/1349984255.db2.gz GVVDFIKBYNKWSB-OAHLLOKOSA-N -1 0 343.339 2.350 20 5 EEBDRM Cc1cc(C)cc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(=O)[O-])c1 ZINC001600169878 1349984847 /nfs/dbraw/zinc/98/48/47/1349984847.db2.gz TUEMMRCAXNMVPD-HNNXBMFYSA-N -1 0 343.339 2.350 20 5 EEBDRM Cc1cc(N[C@@H]2CCN(CC(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600278471 1350009501 /nfs/dbraw/zinc/00/95/01/1350009501.db2.gz STAMOQMGQWWLFR-SECBINFHSA-N -1 0 329.303 2.353 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1Cl ZINC001600302483 1350015142 /nfs/dbraw/zinc/01/51/42/1350015142.db2.gz MKMYGDNYYDVQMU-BDAKNGLRSA-N -1 0 326.736 2.492 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001600302099 1350015342 /nfs/dbraw/zinc/01/53/42/1350015342.db2.gz CUFMRPXCSAQOOG-KWQFWETISA-N -1 0 343.286 2.299 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])n1C ZINC001600551976 1350080472 /nfs/dbraw/zinc/08/04/72/1350080472.db2.gz KBZXQZDWKMIDDS-UHFFFAOYSA-N -1 0 331.328 2.178 20 5 EEBDRM Cc1cnc(NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001600623750 1350100541 /nfs/dbraw/zinc/10/05/41/1350100541.db2.gz PILAZLOWSABOQI-GFCCVEGCSA-N -1 0 331.328 2.359 20 5 EEBDRM Cc1csc([C@@H]2CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC001600658680 1350110928 /nfs/dbraw/zinc/11/09/28/1350110928.db2.gz LVSWTZMODVAGCN-SECBINFHSA-N -1 0 334.357 2.447 20 5 EEBDRM Cc1nc(N2CCOc3cc(C(=O)[O-])ccc3C2)ccc1[N+](=O)[O-] ZINC001600711701 1350119627 /nfs/dbraw/zinc/11/96/27/1350119627.db2.gz SMFIJMUJVAGSEK-UHFFFAOYSA-N -1 0 329.312 2.395 20 5 EEBDRM Cc1nn(C)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1C(=O)[O-] ZINC001600774451 1350133300 /nfs/dbraw/zinc/13/33/00/1350133300.db2.gz PANMAKVTXBZXKT-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM Cn1c(=O)ccc2ccc(Nc3ncc(C(=O)[O-])cc3[N+](=O)[O-])cc21 ZINC001600896090 1350161950 /nfs/dbraw/zinc/16/19/50/1350161950.db2.gz DZRWOQNVVVRTIO-UHFFFAOYSA-N -1 0 340.295 2.284 20 5 EEBDRM Nc1c(C(=O)OCc2ccsc2C(=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001601209014 1350231444 /nfs/dbraw/zinc/23/14/44/1350231444.db2.gz XKSNRJKAVYZBIE-UHFFFAOYSA-N -1 0 340.288 2.433 20 5 EEBDRM Nc1c(Cl)cc(C(=O)NCc2ccoc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001601211654 1350232247 /nfs/dbraw/zinc/23/22/47/1350232247.db2.gz UMFBLYIYZJMYLV-UHFFFAOYSA-N -1 0 339.691 2.052 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC001601290169 1350250128 /nfs/dbraw/zinc/25/01/28/1350250128.db2.gz GFRXNCYUWYUVSG-INIZCTEOSA-N -1 0 344.323 2.175 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1O ZINC001601330096 1350258609 /nfs/dbraw/zinc/25/86/09/1350258609.db2.gz KTIVLTAPNMFCPW-UHFFFAOYSA-N -1 0 331.284 2.049 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001601349549 1350263413 /nfs/dbraw/zinc/26/34/13/1350263413.db2.gz KYRVFMQSFBHKQX-UHFFFAOYSA-N -1 0 338.297 2.117 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)CC1CC1 ZINC001601456413 1350287652 /nfs/dbraw/zinc/28/76/52/1350287652.db2.gz JMIXBNHUHTUMQO-JTQLQIEISA-N -1 0 331.328 2.307 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001601628895 1350323360 /nfs/dbraw/zinc/32/33/60/1350323360.db2.gz SEBPFJJCWBVLFJ-VHSXEESVSA-N -1 0 333.325 2.378 20 5 EEBDRM O=C([O-])[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCOC1 ZINC001601655505 1350329686 /nfs/dbraw/zinc/32/96/86/1350329686.db2.gz MYZJLBSTCACXRM-CBAPKCEASA-N -1 0 349.265 2.158 20 5 EEBDRM O=C([O-])[C@H]1CCCCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001601816279 1350371726 /nfs/dbraw/zinc/37/17/26/1350371726.db2.gz MWUYVMNPMCABPH-CYBMUJFWSA-N -1 0 346.343 2.474 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCc2nnc3n2CCCC3)c([N+](=O)[O-])c1 ZINC001601882363 1350389983 /nfs/dbraw/zinc/38/99/83/1350389983.db2.gz HAWTUZAVXKRVNV-FNORWQNLSA-N -1 0 343.343 2.233 20 5 EEBDRM O=C([O-])CSCCC(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC001602099468 1350437284 /nfs/dbraw/zinc/43/72/84/1350437284.db2.gz RKYVCQFVQNHXNM-UHFFFAOYSA-N -1 0 333.749 2.499 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@H]2CN(c3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC001602126391 1350445498 /nfs/dbraw/zinc/44/54/98/1350445498.db2.gz BWKMESVPEXIVIM-AWEZNQCLSA-N -1 0 341.323 2.049 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1C[C@H](Nc1c3cc(F)ccc3ncc1[N+](=O)[O-])C2 ZINC001602208086 1350466196 /nfs/dbraw/zinc/46/61/96/1350466196.db2.gz VTFOVIJUQIWKST-DRGRQASISA-N -1 0 331.303 2.369 20 5 EEBDRM O=C([O-])c1cc(COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)on1 ZINC001602262528 1350481027 /nfs/dbraw/zinc/48/10/27/1350481027.db2.gz VYAWAXYSOJDITA-NWDGAFQWSA-N -1 0 332.268 2.128 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@]1(CCO)CCOC1 ZINC001602298564 1350487680 /nfs/dbraw/zinc/48/76/80/1350487680.db2.gz MLDASXOBWKOBEW-AWEZNQCLSA-N -1 0 344.751 2.147 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@]3(CNc4ccccc43)C2)n1 ZINC001602403511 1350511481 /nfs/dbraw/zinc/51/14/81/1350511481.db2.gz JFRLDWMXESUGLD-QGZVFWFLSA-N -1 0 340.339 2.262 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001602406859 1350512454 /nfs/dbraw/zinc/51/24/54/1350512454.db2.gz OXXWOMPXMHSGRM-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM O=C([O-])c1ccncc1C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC001602486803 1350530358 /nfs/dbraw/zinc/53/03/58/1350530358.db2.gz POAWIGPPCBCWQM-UHFFFAOYSA-N -1 0 338.222 2.323 20 5 EEBDRM O=C([O-])c1cnc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)s1 ZINC001602523205 1350538644 /nfs/dbraw/zinc/53/86/44/1350538644.db2.gz UTMMGHITWCKFDT-UHFFFAOYSA-N -1 0 346.324 2.161 20 5 EEBDRM O=C([O-])/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1)CN1CCC(=O)CC1 ZINC001602647257 1350565288 /nfs/dbraw/zinc/56/52/88/1350565288.db2.gz ZJKIWFDKYQVCBF-XFFZJAGNSA-N -1 0 338.747 2.381 20 5 EEBDRM O=C([O-])/C(=C/c1cc(Cl)ccc1[N+](=O)[O-])CN1CCC(=O)CC1 ZINC001602646863 1350565487 /nfs/dbraw/zinc/56/54/87/1350565487.db2.gz RCJYHRFJUJUHNU-YRNVUSSQSA-N -1 0 338.747 2.381 20 5 EEBDRM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001603148194 1350649532 /nfs/dbraw/zinc/64/95/32/1350649532.db2.gz BBPXZAWRTHAZNC-GMTAPVOTSA-N -1 0 338.335 2.407 20 5 EEBDRM C[C@H](C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001603148196 1350650049 /nfs/dbraw/zinc/65/00/49/1350650049.db2.gz BBPXZAWRTHAZNC-OUAUKWLOSA-N -1 0 338.335 2.407 20 5 EEBDRM CC(C)CC[C@@](C)(O)CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603278354 1350678376 /nfs/dbraw/zinc/67/83/76/1350678376.db2.gz NQXCKTQSNAFPJX-OAHLLOKOSA-N -1 0 334.380 2.374 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001603934289 1350806049 /nfs/dbraw/zinc/80/60/49/1350806049.db2.gz ORYRISDWROTMOU-HNNXBMFYSA-N -1 0 340.307 2.021 20 5 EEBDRM C[C@@H](CNC(=O)NCc1cc(C(=O)[O-])co1)c1ccccc1[N+](=O)[O-] ZINC001604178270 1350884828 /nfs/dbraw/zinc/88/48/28/1350884828.db2.gz XPNFPGLCYCFRAS-JTQLQIEISA-N -1 0 347.327 2.489 20 5 EEBDRM C[C@H](COCc1ccccc1)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O ZINC001604202305 1350891814 /nfs/dbraw/zinc/89/18/14/1350891814.db2.gz SLOBWNQKRUOACR-LBPRGKRZSA-N -1 0 346.339 2.308 20 5 EEBDRM CCOC(=O)c1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])o1 ZINC001605571174 1351191945 /nfs/dbraw/zinc/19/19/45/1351191945.db2.gz NCRPXFCVLYGJDO-UHFFFAOYSA-N -1 0 335.272 2.070 20 5 EEBDRM CN(Cc1ccc([S@@](C)=O)cc1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606164008 1351280080 /nfs/dbraw/zinc/28/00/80/1351280080.db2.gz CFTIWLIYACLVGC-XMMPIXPASA-N -1 0 349.368 2.062 20 5 EEBDRM COc1cc(C)nc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001607150290 1351438952 /nfs/dbraw/zinc/43/89/52/1351438952.db2.gz ZEYCDSOYCRLNEU-UHFFFAOYSA-N -1 0 346.295 2.362 20 5 EEBDRM COc1ccc(CN(C)Cc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001607251411 1351458606 /nfs/dbraw/zinc/45/86/06/1351458606.db2.gz DVNWHFZRSDMUDV-UHFFFAOYSA-N -1 0 331.328 2.329 20 5 EEBDRM COc1nc(C)cc(C)c1CN(C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607354997 1351481036 /nfs/dbraw/zinc/48/10/36/1351481036.db2.gz JERJYIQCAUIZSN-UHFFFAOYSA-N -1 0 346.343 2.345 20 5 EEBDRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001607595891 1351521648 /nfs/dbraw/zinc/52/16/48/1351521648.db2.gz OZHKIVHRPFJFBE-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM Cc1cc(CO)cc(C)c1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607652533 1351533814 /nfs/dbraw/zinc/53/38/14/1351533814.db2.gz NWVSBJZHAVRTQR-UHFFFAOYSA-N -1 0 331.328 2.409 20 5 EEBDRM Cc1cc(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1C(N)=O ZINC001607695654 1351541422 /nfs/dbraw/zinc/54/14/22/1351541422.db2.gz MQGSPRSMEGIZJQ-UHFFFAOYSA-N -1 0 329.312 2.312 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001607710271 1351544351 /nfs/dbraw/zinc/54/43/51/1351544351.db2.gz VCFCFJLFFJUKNB-UHFFFAOYSA-N -1 0 328.324 2.460 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001607826157 1351565949 /nfs/dbraw/zinc/56/59/49/1351565949.db2.gz CTOAOYMQLLVZCN-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1nc2ccccn2c1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607975296 1351596435 /nfs/dbraw/zinc/59/64/35/1351596435.db2.gz ZHRKFFNUSKTUOL-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM CNc1nccc(C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001606314467 1404790260 /nfs/dbraw/zinc/79/02/60/1404790260.db2.gz QMNBLOWJEIKRKW-VIFPVBQESA-N -1 0 325.321 2.078 20 5 EEBDRM CO[C@@]1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000906153760 783723442 /nfs/dbraw/zinc/72/34/42/783723442.db2.gz VJTNCVJPYKPXFP-LBPRGKRZSA-N -1 0 334.250 2.451 20 5 EEBDRM Nc1ccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000823338994 787694886 /nfs/dbraw/zinc/69/48/86/787694886.db2.gz BRLIZHQMGBHFAF-ZDUSSCGKSA-N -1 0 335.360 2.330 20 5 EEBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000844218316 788908956 /nfs/dbraw/zinc/90/89/56/788908956.db2.gz KOHUSPAEPWNQSU-GFCCVEGCSA-N -1 0 344.249 2.086 20 5 EEBDRM Cc1noc([C@@H]2CCCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000844208463 788927687 /nfs/dbraw/zinc/92/76/87/788927687.db2.gz UGTLUFXPZFDNMY-GFCCVEGCSA-N -1 0 346.343 2.297 20 5 EEBDRM CN(C[C@@](C)(O)c1ccccc1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844209738 788928832 /nfs/dbraw/zinc/92/88/32/788928832.db2.gz MRCAGFVDDLWUKT-MRXNPFEDSA-N -1 0 331.328 2.032 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@H](CO)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000844210680 788928900 /nfs/dbraw/zinc/92/89/00/788928900.db2.gz YKMBJCGXVVGUER-LXOKAJLYSA-N -1 0 334.250 2.418 20 5 EEBDRM O=C([O-])Cc1ccc(N2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000844211864 788929785 /nfs/dbraw/zinc/92/97/85/788929785.db2.gz JGCFSBRXOCYFCH-CQSZACIVSA-N -1 0 334.372 2.475 20 5 EEBDRM COc1ccc2c(c1)CN(c1nc(C(=O)[O-])ccc1[N+](=O)[O-])CCO2 ZINC000844216542 788935376 /nfs/dbraw/zinc/93/53/76/788935376.db2.gz FKHFFGNXXXGCOI-UHFFFAOYSA-N -1 0 345.311 2.096 20 5 EEBDRM Cc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000916102002 797506885 /nfs/dbraw/zinc/50/68/85/797506885.db2.gz MWRYPQMCRXIIKC-UHFFFAOYSA-N -1 0 344.330 2.069 20 5 EEBDRM NC(=O)c1nc(Cl)ccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502187 797784152 /nfs/dbraw/zinc/78/41/52/797784152.db2.gz HVQNJVDQCXBVFZ-UHFFFAOYSA-N -1 0 336.691 2.184 20 5 EEBDRM COCCN(c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ncccc1N ZINC001176674606 798523620 /nfs/dbraw/zinc/52/36/20/798523620.db2.gz MQKBXLFGACIEKV-UHFFFAOYSA-N -1 0 332.316 2.055 20 5 EEBDRM Cc1c(Br)c(=NOC[C@H]2CCOC2)[n-]cc1[N+](=O)[O-] ZINC000788084053 807370111 /nfs/dbraw/zinc/37/01/11/807370111.db2.gz WRYBNJHKCRRFJO-QMMMGPOBSA-N -1 0 332.154 2.441 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C(C)(C)C1CC1 ZINC000805861506 811590863 /nfs/dbraw/zinc/59/08/63/811590863.db2.gz SJGHAIJVLKVHGC-UHFFFAOYSA-N -1 0 326.374 2.144 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2 ZINC000808125069 812464728 /nfs/dbraw/zinc/46/47/28/812464728.db2.gz HQVOJULORGHZIR-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000324606718 939126350 /nfs/dbraw/zinc/12/63/50/939126350.db2.gz KQGKCOSSLLVADR-AWEZNQCLSA-N -1 0 335.360 2.428 20 5 EEBDRM O=C([O-])CCc1cccc(NC(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC001611463744 971065589 /nfs/dbraw/zinc/06/55/89/971065589.db2.gz IEXAHDKTPRKLHI-UHFFFAOYSA-N -1 0 330.300 2.073 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001595179274 952245911 /nfs/dbraw/zinc/24/59/11/952245911.db2.gz MQEQMHKZPLUCOV-YRGRVCCFSA-N -1 0 336.369 2.280 20 5 EEBDRM CC[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC001593623126 953536993 /nfs/dbraw/zinc/53/69/93/953536993.db2.gz MOCPJGLRMFCRHX-BYPYZUCNSA-N -1 0 337.151 2.012 20 5 EEBDRM O=C([O-])[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CC1 ZINC001594836013 954026488 /nfs/dbraw/zinc/02/64/88/954026488.db2.gz OBRMYQZRFDYSDZ-CYBMUJFWSA-N -1 0 330.300 2.034 20 5 EEBDRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC001589344021 954036577 /nfs/dbraw/zinc/03/65/77/954036577.db2.gz KFLDOUQZCJZWIP-AQNFWKISSA-N -1 0 332.356 2.268 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001589347619 954060008 /nfs/dbraw/zinc/06/00/08/954060008.db2.gz FGWDPIREIVFCSN-IONNQARKSA-N -1 0 341.751 2.013 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)nc1 ZINC001574802506 957840429 /nfs/dbraw/zinc/84/04/29/957840429.db2.gz IDIPRPVZSKSREH-STQMWFEESA-N -1 0 327.296 2.430 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001574842094 957953861 /nfs/dbraw/zinc/95/38/61/957953861.db2.gz BSBHXPNARZPUFP-LBPRGKRZSA-N -1 0 332.316 2.084 20 5 EEBDRM Cc1cccc([C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594398797 958813559 /nfs/dbraw/zinc/81/35/59/958813559.db2.gz FLAHDYAHGATQEX-INIZCTEOSA-N -1 0 343.339 2.257 20 5 EEBDRM C[C@@H](C(=O)[O-])c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC001588604324 959467358 /nfs/dbraw/zinc/46/73/58/959467358.db2.gz USCAGWPFTCYKDC-MRVPVSSYSA-N -1 0 329.272 2.019 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001604929175 972493729 /nfs/dbraw/zinc/49/37/29/972493729.db2.gz BXASHZQMLUBINF-RWEMILLDSA-N -1 0 326.324 2.453 20 5 EEBDRM C[C@@H]1CCCN(C(=O)CSc2ccccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC001573726093 960408484 /nfs/dbraw/zinc/40/84/84/960408484.db2.gz JXIHCKYGYXEVPR-YGRLFVJLSA-N -1 0 338.385 2.399 20 5 EEBDRM C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC001603405722 973062957 /nfs/dbraw/zinc/06/29/57/973062957.db2.gz XFGGXIAMWZHQIM-QZKOUSHUSA-N -1 0 332.356 2.410 20 5 EEBDRM C[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C(=O)[O-] ZINC001603407837 973075244 /nfs/dbraw/zinc/07/52/44/973075244.db2.gz UYGRMZWHERRTAJ-XPTSAGLGSA-N -1 0 331.328 2.401 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001606464585 973920468 /nfs/dbraw/zinc/92/04/68/973920468.db2.gz DKUCXXNDBVSHGQ-NSHDSACASA-N -1 0 344.327 2.036 20 5 EEBDRM COc1cccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c1[N+](=O)[O-] ZINC001604857399 974103166 /nfs/dbraw/zinc/10/31/66/974103166.db2.gz ZVCYDMDIZSEUKV-CQSZACIVSA-N -1 0 344.323 2.468 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603975288 974466095 /nfs/dbraw/zinc/46/60/95/974466095.db2.gz DADGXDVJPGZKEK-UHFFFAOYSA-N -1 0 333.304 2.082 20 5 EEBDRM C[C@@H](CNC(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592665456 979069705 /nfs/dbraw/zinc/06/97/05/979069705.db2.gz MDPXFHMQNAWPFN-UNXYVOJBSA-N -1 0 335.360 2.251 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC001595056859 979294620 /nfs/dbraw/zinc/29/46/20/979294620.db2.gz GLFYMOFFGLTZHP-UHFFFAOYSA-N -1 0 344.389 2.048 20 5 EEBDRM CCC(CC)(CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C(=O)OC ZINC001595084722 979375975 /nfs/dbraw/zinc/37/59/75/979375975.db2.gz WFFBHFRRXKXXRW-UHFFFAOYSA-N -1 0 325.321 2.079 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@H]2CCC23CCOCC3)cc([N+](=O)[O-])c1 ZINC000864216726 979905273 /nfs/dbraw/zinc/90/52/73/979905273.db2.gz PZZBUVUZCDOKGL-CYBMUJFWSA-N -1 0 348.355 2.230 20 5 EEBDRM O=C([O-])C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000901503435 980323442 /nfs/dbraw/zinc/32/34/42/980323442.db2.gz SPAMWHAAMIKRKH-LLVKDONJSA-N -1 0 348.277 2.289 20 5 EEBDRM CC[C@H](O)[C@H]1CCCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595327356 980546675 /nfs/dbraw/zinc/54/66/75/980546675.db2.gz SPBKYSIIJLMOSW-KGLIPLIRSA-N -1 0 336.344 2.059 20 5 EEBDRM CCC(C)(C)OCC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001594808460 981917480 /nfs/dbraw/zinc/91/74/80/981917480.db2.gz KFDZJLIEEFADCQ-INIZCTEOSA-N -1 0 338.360 2.216 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001594821234 981968836 /nfs/dbraw/zinc/96/88/36/981968836.db2.gz SGMPUNRDMRNETO-INIZCTEOSA-N -1 0 346.343 2.358 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001594902150 982360363 /nfs/dbraw/zinc/36/03/63/982360363.db2.gz KLLPNQMHCAIWCA-ISVAXAHUSA-N -1 0 344.364 2.442 20 5 EEBDRM CC[C@@H](C)C[C@@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594945470 982633404 /nfs/dbraw/zinc/63/34/04/982633404.db2.gz PZTZLRXPGAJQFY-LDYMZIIASA-N -1 0 342.323 2.362 20 5 EEBDRM CC[C@@H](C)C[C@@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C(=O)[O-] ZINC001594950091 982657087 /nfs/dbraw/zinc/65/70/87/982657087.db2.gz SQKFJYDVSVIKBX-RKDXNWHRSA-N -1 0 326.353 2.061 20 5 EEBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H](C)C(=O)[O-] ZINC001595831343 982721739 /nfs/dbraw/zinc/72/17/39/982721739.db2.gz ZORPNYNPWSSYNO-NSHDSACASA-N -1 0 346.343 2.106 20 5 EEBDRM Cc1[nH]c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C(=O)[O-] ZINC001599961759 985794079 /nfs/dbraw/zinc/79/40/79/985794079.db2.gz AUTHHOWTDDUASU-UHFFFAOYSA-N -1 0 344.371 2.252 20 5 EEBDRM C[C@H]1COCC[C@H]1Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594605228 986565315 /nfs/dbraw/zinc/56/53/15/986565315.db2.gz YVXZFOYHIJRZKS-OIBJUYFYSA-N -1 0 325.277 2.038 20 5 EEBDRM C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001599859082 989137669 /nfs/dbraw/zinc/13/76/69/989137669.db2.gz KZRCQKGBLWOOID-IJLUTSLNSA-N -1 0 335.360 2.408 20 5 EEBDRM CC(C)(NC(=S)NCCCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001590867097 990766025 /nfs/dbraw/zinc/76/60/25/990766025.db2.gz MREXKRZXQLGWIO-UHFFFAOYSA-N -1 0 325.390 2.159 20 5 EEBDRM CC(C)CN(C(=O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C(=O)[O-] ZINC001591280135 992206015 /nfs/dbraw/zinc/20/60/15/992206015.db2.gz CDNKIDKIMKOZIP-UHFFFAOYSA-N -1 0 338.360 2.321 20 5 EEBDRM CC(C)COC(=O)N(C)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001591383532 992426742 /nfs/dbraw/zinc/42/67/42/992426742.db2.gz GLNUAHTUFHUFIM-UHFFFAOYSA-N -1 0 326.305 2.354 20 5 EEBDRM CC(C)COC[C@@H](O)CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001591390383 992442500 /nfs/dbraw/zinc/44/25/00/992442500.db2.gz VFWSMJPBJJMTRX-JTQLQIEISA-N -1 0 346.767 2.392 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)c1 ZINC001599622040 994097607 /nfs/dbraw/zinc/09/76/07/994097607.db2.gz MCZUDAWLWWHRCR-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ncc(C(=O)[O-])s1 ZINC001593246678 994456760 /nfs/dbraw/zinc/45/67/60/994456760.db2.gz NPJWNVNTCLQIJY-KWQFWETISA-N -1 0 337.357 2.134 20 5 EEBDRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2onc(C)c2[N+](=O)[O-])c1 ZINC001599651124 994501574 /nfs/dbraw/zinc/50/15/74/994501574.db2.gz STKOGYFWVVMYGB-AWEZNQCLSA-N -1 0 335.316 2.158 20 5 EEBDRM C[C@H](OC(=O)c1occc1C(=O)[O-])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001593601676 995759335 /nfs/dbraw/zinc/75/93/35/995759335.db2.gz SKVFWTOUZDLFEU-QMMMGPOBSA-N -1 0 348.267 2.070 20 5 EEBDRM C[C@]1(C(F)(F)F)CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC001593815608 996550795 /nfs/dbraw/zinc/55/07/95/996550795.db2.gz CPPMTKGPUDCVHN-CYBMUJFWSA-N -1 0 348.277 2.380 20 5 EEBDRM COc1cc(CN(C)c2nc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1O ZINC001599405304 997285362 /nfs/dbraw/zinc/28/53/62/997285362.db2.gz SMOPNKJZCDAFSN-UHFFFAOYSA-N -1 0 333.300 2.039 20 5 EEBDRM COc1c(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001599328227 997702087 /nfs/dbraw/zinc/70/20/87/997702087.db2.gz CDQYTTCCHANSCO-PIGZYNQJSA-N -1 0 348.355 2.320 20 5 EEBDRM COC(=O)c1cc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])ccn1 ZINC001598933292 997811205 /nfs/dbraw/zinc/81/12/05/997811205.db2.gz FYXODJAKCDOFRS-UHFFFAOYSA-N -1 0 345.311 2.395 20 5 EEBDRM COc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)ccc1C(=O)[O-] ZINC001599441105 997930698 /nfs/dbraw/zinc/93/06/98/997930698.db2.gz FMCWHXRUMYEHSM-UHFFFAOYSA-N -1 0 349.274 2.275 20 5 EEBDRM CC1=C[C@H](C)CN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594109937 998200058 /nfs/dbraw/zinc/20/00/58/998200058.db2.gz NTQIDTIJFZGSFH-CMPLNLGQSA-N -1 0 347.371 2.200 20 5 EEBDRM COc1ccc(Cl)c(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c1 ZINC001599576614 998455040 /nfs/dbraw/zinc/45/50/40/998455040.db2.gz DQCTXUFNGQKALG-UHFFFAOYSA-N -1 0 338.703 2.165 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001594156595 998571317 /nfs/dbraw/zinc/57/13/17/998571317.db2.gz NHOYVJUDFUMJEZ-VHSXEESVSA-N -1 0 344.327 2.470 20 5 EEBDRM O=C([O-])c1ccccc1CCn1cc([N+](=O)[O-])nc1Br ZINC001608946239 1124113606 /nfs/dbraw/zinc/11/36/06/1124113606.db2.gz IGVPLVYMNXAQPX-UHFFFAOYSA-N -1 0 340.133 2.495 20 5 EEBDRM C[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000263343982 299137630 /nfs/dbraw/zinc/13/76/30/299137630.db2.gz OCKXXFCNJOJOGH-WOPDTQHZSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C(NCc1ccc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031315849 202205282 /nfs/dbraw/zinc/20/52/82/202205282.db2.gz DLNNXNJOMIVFLX-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM CSc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000261904055 201200070 /nfs/dbraw/zinc/20/00/70/201200070.db2.gz PGTKHJIDRPVJPG-MWLCHTKSSA-N -1 0 338.385 2.500 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237062889 242465126 /nfs/dbraw/zinc/46/51/26/242465126.db2.gz WABKBJUWZYMFER-SNVBAGLBSA-N -1 0 335.360 2.494 20 5 EEBDRM Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cnn1[C@H]1CCOC1 ZINC000456273319 244203702 /nfs/dbraw/zinc/20/37/02/244203702.db2.gz USZDZYHWSMNHKW-NSHDSACASA-N -1 0 332.316 2.019 20 5 EEBDRM O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000456335337 244217381 /nfs/dbraw/zinc/21/73/81/244217381.db2.gz VYRNHCVXQFPPAP-WBMJQRKESA-N -1 0 343.339 2.346 20 5 EEBDRM C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262779304 245174379 /nfs/dbraw/zinc/17/43/79/245174379.db2.gz NTDBBPXZYBVNPO-SSDOTTSWSA-N -1 0 332.765 2.177 20 5 EEBDRM C[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000493846617 296362827 /nfs/dbraw/zinc/36/28/27/296362827.db2.gz OLTFRYKOJSPETP-KEDRAJEGSA-N -1 0 336.319 2.459 20 5 EEBDRM O=C([O-])c1cccc2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000369214504 304266114 /nfs/dbraw/zinc/26/61/14/304266114.db2.gz LFLMRTUIXLDIRM-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM CN(C)C(=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000184928009 255935660 /nfs/dbraw/zinc/93/56/60/255935660.db2.gz KFNRCKMYKLKKSC-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])[C@H](C)CC ZINC000271089255 256206466 /nfs/dbraw/zinc/20/64/66/256206466.db2.gz UANMOYQTGWULAF-SNVBAGLBSA-N -1 0 344.389 2.031 20 5 EEBDRM COC(=O)c1cc(NC(=O)CC(C)(C)C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000276719954 256461333 /nfs/dbraw/zinc/46/13/33/256461333.db2.gz BISYJGIZSNJDRS-UHFFFAOYSA-N -1 0 338.316 2.129 20 5 EEBDRM CCO[C@@H]1C[C@](NC(=O)c2ccc([N+](=O)[O-])s2)(C(=O)[O-])C1(C)C ZINC000262839172 152325412 /nfs/dbraw/zinc/32/54/12/152325412.db2.gz TZOQXADFBIAZOT-OTYXRUKQSA-N -1 0 342.373 2.045 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000263001472 152355250 /nfs/dbraw/zinc/35/52/50/152355250.db2.gz VALKWTVXIVMTAY-OCCSQVGLSA-N -1 0 335.360 2.452 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263118961 152378796 /nfs/dbraw/zinc/37/87/96/152378796.db2.gz LTQLCLHXOCPZCK-NXEZZACHSA-N -1 0 337.332 2.178 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)N2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000263181156 152395926 /nfs/dbraw/zinc/39/59/26/152395926.db2.gz FHFFQBBSGLBPLF-NSHDSACASA-N -1 0 335.360 2.470 20 5 EEBDRM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531193 159182964 /nfs/dbraw/zinc/18/29/64/159182964.db2.gz LYIXNXYMXJGQFH-UHFFFAOYSA-N -1 0 346.343 2.242 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000237568717 160222892 /nfs/dbraw/zinc/22/28/92/160222892.db2.gz SWBZUULWRKHEFF-OAHLLOKOSA-N -1 0 328.324 2.329 20 5 EEBDRM COc1ccc2[nH]nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000343093172 161102604 /nfs/dbraw/zinc/10/26/04/161102604.db2.gz FMYACFUYSLUQNE-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM C[NH+](C)[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000355377544 163167985 /nfs/dbraw/zinc/16/79/85/163167985.db2.gz CLMHTXHRHNAJEY-INIZCTEOSA-N -1 0 343.383 2.203 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000359418364 164129937 /nfs/dbraw/zinc/12/99/37/164129937.db2.gz UTDNSRAVAWVKJF-UHFFFAOYSA-N -1 0 341.776 2.050 20 5 EEBDRM COC(=O)c1ccc(CCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000738051283 577997670 /nfs/dbraw/zinc/99/76/70/577997670.db2.gz JYDBKEPUMQUMNL-UHFFFAOYSA-N -1 0 345.311 2.129 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCSC2(CCOCC2)C1 ZINC000274729372 269047442 /nfs/dbraw/zinc/04/74/42/269047442.db2.gz CDTRSWKQOGCRQU-UHFFFAOYSA-N -1 0 338.385 2.039 20 5 EEBDRM Cc1nn(C)c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1C ZINC000277197883 269142719 /nfs/dbraw/zinc/14/27/19/269142719.db2.gz DZMKUNNZDVROCW-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172182169 273990577 /nfs/dbraw/zinc/99/05/77/273990577.db2.gz QMEXSLRANWNAQW-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM O=C(Nc1ccc(-n2cccn2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181863165 274009114 /nfs/dbraw/zinc/00/91/14/274009114.db2.gz IEKPYPACCGPJGI-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000279842760 274552697 /nfs/dbraw/zinc/55/26/97/274552697.db2.gz FOZYPSGQPHJFNV-SECBINFHSA-N -1 0 332.316 2.170 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000288706514 275081704 /nfs/dbraw/zinc/08/17/04/275081704.db2.gz XEKJGJGMPQQFIO-SNVBAGLBSA-N -1 0 342.270 2.353 20 5 EEBDRM O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000290761159 275236912 /nfs/dbraw/zinc/23/69/12/275236912.db2.gz BCTQURPQMOQCSX-KBXCAEBGSA-N -1 0 342.351 2.196 20 5 EEBDRM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)C1CCCCC1 ZINC000255344640 292701843 /nfs/dbraw/zinc/70/18/43/292701843.db2.gz VCJPEUKENRPJSD-KHPPLWFESA-N -1 0 338.385 2.387 20 5 EEBDRM NC(=O)c1ccc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255557789 292710886 /nfs/dbraw/zinc/71/08/86/292710886.db2.gz GVEAEKXQQYORDG-BAQGIRSFSA-N -1 0 327.296 2.051 20 5 EEBDRM CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H](C(F)(F)F)O1 ZINC000293749981 293285753 /nfs/dbraw/zinc/28/57/53/293285753.db2.gz PALKUPDXIDIHQL-SNVBAGLBSA-N -1 0 348.277 2.482 20 5 EEBDRM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000296829273 294078033 /nfs/dbraw/zinc/07/80/33/294078033.db2.gz AZZUYTWDVGUFBG-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1N1CCc2c(cccc2C(=O)[O-])C1 ZINC000325587554 311602622 /nfs/dbraw/zinc/60/26/22/311602622.db2.gz MFQUTZMRSAGNEK-UHFFFAOYSA-N -1 0 330.344 2.381 20 5 EEBDRM Cc1c(CNC(=O)NC2CCC(C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000326450915 311603857 /nfs/dbraw/zinc/60/38/57/311603857.db2.gz OEMPTYFBNZAHEW-UHFFFAOYSA-N -1 0 335.360 2.346 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000416440330 313224302 /nfs/dbraw/zinc/22/43/02/313224302.db2.gz CWGVGGLVQXOJTL-FZMZJTMJSA-N -1 0 335.360 2.025 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC000436675357 314987167 /nfs/dbraw/zinc/98/71/67/314987167.db2.gz UWDTVGRPWQPPMB-VIFPVBQESA-N -1 0 344.327 2.282 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1[N+](=O)[O-] ZINC000436908501 315012135 /nfs/dbraw/zinc/01/21/35/315012135.db2.gz MZNMBYCFSHBIGX-UHFFFAOYSA-N -1 0 328.687 2.387 20 5 EEBDRM COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436986529 315020107 /nfs/dbraw/zinc/02/01/07/315020107.db2.gz GFRLVLKSIIYUEC-HNNXBMFYSA-N -1 0 344.323 2.287 20 5 EEBDRM C[C@](CO)(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000437001437 315022360 /nfs/dbraw/zinc/02/23/60/315022360.db2.gz PFUVPVJWQCCJQI-GOSISDBHSA-N -1 0 344.367 2.272 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cccc3c2OCCCO3)n1 ZINC000517572613 316676658 /nfs/dbraw/zinc/67/66/58/316676658.db2.gz PIIQSIPJRDUDSU-UHFFFAOYSA-N -1 0 345.311 2.461 20 5 EEBDRM CCC1CCC(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525700028 317068756 /nfs/dbraw/zinc/06/87/56/317068756.db2.gz XWSBJTMEMBMBIV-UHFFFAOYSA-N -1 0 327.406 2.485 20 5 EEBDRM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000527327291 317185944 /nfs/dbraw/zinc/18/59/44/317185944.db2.gz ZPTNIPLEEBFCSV-MRVPVSSYSA-N -1 0 341.311 2.245 20 5 EEBDRM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000540948333 318086954 /nfs/dbraw/zinc/08/69/54/318086954.db2.gz YDAIXCGVLPZSPP-UHFFFAOYSA-N -1 0 344.323 2.344 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(-n3cccn3)c2)[nH]1 ZINC000554389823 318553411 /nfs/dbraw/zinc/55/34/11/318553411.db2.gz LHOPFOKKCVBUBM-AATRIKPKSA-N -1 0 325.284 2.152 20 5 EEBDRM CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCCCC1 ZINC000563709260 319038679 /nfs/dbraw/zinc/03/86/79/319038679.db2.gz QESCCKAXWGIZIG-UHFFFAOYSA-N -1 0 342.373 2.294 20 5 EEBDRM O=C([O-])C[C@H]1CSCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000566360059 319278976 /nfs/dbraw/zinc/27/89/76/319278976.db2.gz GPBZUEJYVJHSAM-JTQLQIEISA-N -1 0 337.357 2.128 20 5 EEBDRM C[C@H](Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1)C(=O)[O-] ZINC000566655835 319308904 /nfs/dbraw/zinc/30/89/04/319308904.db2.gz MHFDFAXEESAHJJ-SNVBAGLBSA-N -1 0 331.328 2.449 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnc2[nH]c(=O)[nH]c2c1 ZINC000568329812 319477190 /nfs/dbraw/zinc/47/71/90/319477190.db2.gz HUZDGTIHYOTLRJ-UHFFFAOYSA-N -1 0 349.690 2.183 20 5 EEBDRM O=C([O-])CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000568586904 319500583 /nfs/dbraw/zinc/50/05/83/319500583.db2.gz SRHWVVGUSQPUHD-UHFFFAOYSA-N -1 0 335.360 2.176 20 5 EEBDRM Cc1cccc2c1OC[C@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000575752554 320111218 /nfs/dbraw/zinc/11/12/18/320111218.db2.gz NMQZMQIYRFVTIO-GFCCVEGCSA-N -1 0 329.312 2.412 20 5 EEBDRM COCCO[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000577377545 320252237 /nfs/dbraw/zinc/25/22/37/320252237.db2.gz NIZOMVRZBUTVNV-ZDUSSCGKSA-N -1 0 338.360 2.233 20 5 EEBDRM C[C@H]1C[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000577376852 320252264 /nfs/dbraw/zinc/25/22/64/320252264.db2.gz OCISDRWJIDSWKM-DTWKUNHWSA-N -1 0 328.752 2.499 20 5 EEBDRM O=C([O-])c1coc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000577734242 320272841 /nfs/dbraw/zinc/27/28/41/320272841.db2.gz WVVFPHLHFZQWGU-UHFFFAOYSA-N -1 0 333.300 2.329 20 5 EEBDRM O=C([O-])c1cc(N2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000581075205 324181219 /nfs/dbraw/zinc/18/12/19/324181219.db2.gz WMVRONOWJYMQCA-UFBFGSQYSA-N -1 0 348.277 2.433 20 5 EEBDRM CCO[C@H]1C[C@@](O)(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC000581074231 324181572 /nfs/dbraw/zinc/18/15/72/324181572.db2.gz KZOWBGWHDCFGJG-XJKSGUPXSA-N -1 0 338.360 2.271 20 5 EEBDRM CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000583140828 324601494 /nfs/dbraw/zinc/60/14/94/324601494.db2.gz OGDNSNSIPFHWAS-UWVGGRQHSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C(NCCc1nc2ccccc2o1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000583162490 324606282 /nfs/dbraw/zinc/60/62/82/324606282.db2.gz GPCFZRYMRSHZDJ-UHFFFAOYSA-N -1 0 327.296 2.414 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000583935894 324763292 /nfs/dbraw/zinc/76/32/92/324763292.db2.gz JWHWATWNGHCOFH-GFCCVEGCSA-N -1 0 345.359 2.280 20 5 EEBDRM CC(C)(C)c1ccc(C(=O)NC(C)(C)c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000354797954 465160962 /nfs/dbraw/zinc/16/09/62/465160962.db2.gz ZUSGXCKVHRHSII-UHFFFAOYSA-N -1 0 332.364 2.071 20 5 EEBDRM COc1cncc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000337146030 465214429 /nfs/dbraw/zinc/21/44/29/465214429.db2.gz XYGLJAQGVCCYKJ-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000578984733 468289968 /nfs/dbraw/zinc/28/99/68/468289968.db2.gz IQVPUBMZAVSPSF-CQSZACIVSA-N -1 0 344.389 2.071 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000590744949 468322743 /nfs/dbraw/zinc/32/27/43/468322743.db2.gz QSBUSJLPPUMDBE-UHFFFAOYSA-N -1 0 349.368 2.288 20 5 EEBDRM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092455235 462953298 /nfs/dbraw/zinc/95/32/98/462953298.db2.gz TYXGJYGHVDWUHT-LBPRGKRZSA-N -1 0 337.376 2.399 20 5 EEBDRM CN(Cc1nccn1C(F)F)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000162336790 463501686 /nfs/dbraw/zinc/50/16/86/463501686.db2.gz ZXCNZCXGDJQVKQ-UHFFFAOYSA-N -1 0 326.259 2.164 20 5 EEBDRM COCCN(Cc1ccc(C)o1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000163446482 463589592 /nfs/dbraw/zinc/58/95/92/463589592.db2.gz DEADTZLTSAZMTE-UHFFFAOYSA-N -1 0 334.328 2.491 20 5 EEBDRM CC(=O)N1CCC(CCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000166168871 463652299 /nfs/dbraw/zinc/65/22/99/463652299.db2.gz DCYRVABIBGCDRF-UHFFFAOYSA-N -1 0 335.360 2.278 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCSC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000262231119 463977782 /nfs/dbraw/zinc/97/77/82/463977782.db2.gz NZNQEBSWYGPGEY-UHFFFAOYSA-N -1 0 338.263 2.276 20 5 EEBDRM CC1(C)[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H]2CCCO[C@H]21 ZINC000262391187 464016897 /nfs/dbraw/zinc/01/68/97/464016897.db2.gz KJZQSSQVXRCMNY-MGPQQGTHSA-N -1 0 348.355 2.226 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](OCc2ccncc2)C1 ZINC000186531310 464018327 /nfs/dbraw/zinc/01/83/27/464018327.db2.gz ZXGVJJDOJUBTBQ-AWEZNQCLSA-N -1 0 343.339 2.127 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H](OCc2ccncc2)C1 ZINC000186531336 464019058 /nfs/dbraw/zinc/01/90/58/464019058.db2.gz ZXGVJJDOJUBTBQ-CQSZACIVSA-N -1 0 343.339 2.127 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262460232 464027875 /nfs/dbraw/zinc/02/78/75/464027875.db2.gz QRDFACLLDBBYDB-JTQLQIEISA-N -1 0 326.374 2.397 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])CC2 ZINC000262483638 464030914 /nfs/dbraw/zinc/03/09/14/464030914.db2.gz VAPKMDIZTLKDMN-GFCCVEGCSA-N -1 0 347.371 2.110 20 5 EEBDRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263554174 464128068 /nfs/dbraw/zinc/12/80/68/464128068.db2.gz NBZLPOHXZKLLFP-KGLIPLIRSA-N -1 0 332.356 2.443 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000174769414 464448832 /nfs/dbraw/zinc/44/88/32/464448832.db2.gz WCZKLOBRMTXKFY-UHFFFAOYSA-N -1 0 336.373 2.311 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)c(F)c1 ZINC000358799554 465329739 /nfs/dbraw/zinc/32/97/39/465329739.db2.gz MVTVREJQVJOYKM-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2ccn(CCC(C)C)n2)n1 ZINC000342938981 465401241 /nfs/dbraw/zinc/40/12/41/465401241.db2.gz OKFWXVTVGBAERP-UHFFFAOYSA-N -1 0 333.348 2.763 20 5 EEBDRM COc1ccc([C@H](CCO)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356722633 465506449 /nfs/dbraw/zinc/50/64/49/465506449.db2.gz CTMKWLDHFKSRRP-INIZCTEOSA-N -1 0 346.339 2.163 20 5 EEBDRM COc1cc(CNC(=O)c2ccc([N+](=O)[O-])s2)ccc1C(=O)[O-] ZINC000338090128 465812592 /nfs/dbraw/zinc/81/25/92/465812592.db2.gz AVJBZYWXCLGVRR-UHFFFAOYSA-N -1 0 336.325 2.293 20 5 EEBDRM Cc1sc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)cc1[N+](=O)[O-] ZINC000357332967 465956651 /nfs/dbraw/zinc/95/66/51/465956651.db2.gz SWUCRTMFCPJPEJ-UHFFFAOYSA-N -1 0 342.402 2.376 20 5 EEBDRM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331843400 466270190 /nfs/dbraw/zinc/27/01/90/466270190.db2.gz BXVGVUCCNBWIDI-OAHLLOKOSA-N -1 0 332.360 2.214 20 5 EEBDRM C[C@@H](CC(=O)[O-])Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000416429363 466733922 /nfs/dbraw/zinc/73/39/22/466733922.db2.gz YDUXZTBGFQWVRX-NSHDSACASA-N -1 0 331.328 2.844 20 5 EEBDRM O=C(Nc1cc(-c2cccs2)[nH]n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427904114 467185451 /nfs/dbraw/zinc/18/54/51/467185451.db2.gz BFUOZBLJHQMIGV-UHFFFAOYSA-N -1 0 330.325 3.004 20 5 EEBDRM CCNC(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000427915570 467186071 /nfs/dbraw/zinc/18/60/71/467186071.db2.gz OMAZDNCPCKPKBJ-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(SC)cc2)c([N+](=O)[O-])n1 ZINC000435718769 467490732 /nfs/dbraw/zinc/49/07/32/467490732.db2.gz GIOLGVCHYBNSPH-UHFFFAOYSA-N -1 0 342.402 2.334 20 5 EEBDRM O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436751614 467553203 /nfs/dbraw/zinc/55/32/03/467553203.db2.gz TWJGFVBEZQFNNG-LLVKDONJSA-N -1 0 345.330 2.448 20 5 EEBDRM Cc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C(=O)[O-])cc1C ZINC000556140852 468510537 /nfs/dbraw/zinc/51/05/37/468510537.db2.gz QIVTYQIWGVETLD-AWEZNQCLSA-N -1 0 331.328 2.106 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000597443253 468557312 /nfs/dbraw/zinc/55/73/12/468557312.db2.gz RNAAJKRTXCNYCN-OCCSQVGLSA-N -1 0 347.371 2.420 20 5 EEBDRM C[C@@]1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])COc2ccccc2O1 ZINC000600678794 468618725 /nfs/dbraw/zinc/61/87/25/468618725.db2.gz VEIIIPKRLZCORM-MRXNPFEDSA-N -1 0 345.311 2.330 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600708707 468627562 /nfs/dbraw/zinc/62/75/62/468627562.db2.gz MQBCFRITYWKSGO-AWEZNQCLSA-N -1 0 341.751 2.126 20 5 EEBDRM C[C@H]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000592135449 468633461 /nfs/dbraw/zinc/63/34/61/468633461.db2.gz UGJSEANVKNAKNF-VHSXEESVSA-N -1 0 342.373 2.150 20 5 EEBDRM CC[C@@H](C)N(CC)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000594731209 468667139 /nfs/dbraw/zinc/66/71/39/468667139.db2.gz GPXNJHMBOZJXMG-SECBINFHSA-N -1 0 344.389 2.411 20 5 EEBDRM O=C([O-])[C@@H](CC(F)F)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600869479 468671143 /nfs/dbraw/zinc/67/11/43/468671143.db2.gz LZRYCRAXDXBWEF-LLVKDONJSA-N -1 0 342.298 2.241 20 5 EEBDRM C[C@H]1C[C@@H](CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000600871724 468672132 /nfs/dbraw/zinc/67/21/32/468672132.db2.gz IJJPGJCKPGBWOA-QWRGUYRKSA-N -1 0 336.344 2.228 20 5 EEBDRM CC(C)CO[C@H](C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875405 468673066 /nfs/dbraw/zinc/67/30/66/468673066.db2.gz JRVBJQUKOHGMSG-BZNIZROVSA-N -1 0 338.360 2.072 20 5 EEBDRM C[C@H](C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1)C(=O)[O-] ZINC000570809027 468696247 /nfs/dbraw/zinc/69/62/47/468696247.db2.gz GZOIPWLDHXZXEJ-SNVBAGLBSA-N -1 0 346.343 2.330 20 5 EEBDRM Cc1ccnc(N2CCN(c3ccc(C(=O)[O-])s3)CC2)c1[N+](=O)[O-] ZINC000571214337 468756097 /nfs/dbraw/zinc/75/60/97/468756097.db2.gz FPKVGJMJZYVPSL-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM O=C([O-])C1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC2(CCC2)C1 ZINC000595244797 468791891 /nfs/dbraw/zinc/79/18/91/468791891.db2.gz MXVMFDLTTMKSSU-UHFFFAOYSA-N -1 0 348.355 2.125 20 5 EEBDRM COc1cc(C(=O)N(CC(=O)[O-])CC(C)(C)C)cc([N+](=O)[O-])c1C ZINC000595277485 468798363 /nfs/dbraw/zinc/79/83/63/468798363.db2.gz LCMRIBBRXHWBMC-UHFFFAOYSA-N -1 0 338.360 2.485 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000592953281 468826761 /nfs/dbraw/zinc/82/67/61/468826761.db2.gz WBJVMIDXBRMEPE-KBPBESRZSA-N -1 0 334.372 2.487 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nccn1C ZINC000595383409 468833626 /nfs/dbraw/zinc/83/36/26/468833626.db2.gz MUEYRNWWKQRZSD-MRVPVSSYSA-N -1 0 344.780 2.021 20 5 EEBDRM COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000573000462 469039734 /nfs/dbraw/zinc/03/97/34/469039734.db2.gz DEZNQFPPLJYVHK-WCQYABFASA-N -1 0 338.360 2.025 20 5 EEBDRM Cc1nn(CCC(=O)Nc2cccc(C(=O)[O-])c2C)c(C)c1[N+](=O)[O-] ZINC000610844199 469087478 /nfs/dbraw/zinc/08/74/78/469087478.db2.gz RUOUFCRQWDTSTN-UHFFFAOYSA-N -1 0 346.343 2.444 20 5 EEBDRM COC[C@@H](C)Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596012284 469117632 /nfs/dbraw/zinc/11/76/32/469117632.db2.gz UJUBAQWGPHJTDH-VHODGJRUSA-N -1 0 347.327 2.380 20 5 EEBDRM CC(C)c1nnc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]1 ZINC000563196634 469195214 /nfs/dbraw/zinc/19/52/14/469195214.db2.gz XVOSMQQAEZAFQP-UHFFFAOYSA-N -1 0 339.739 2.125 20 5 EEBDRM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000611464036 469255284 /nfs/dbraw/zinc/25/52/84/469255284.db2.gz SRWJAASABBFYSM-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000611478599 469257655 /nfs/dbraw/zinc/25/76/55/469257655.db2.gz NMZGBZMXXGPGRY-GFCCVEGCSA-N -1 0 349.387 2.356 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1F ZINC000611567653 469281522 /nfs/dbraw/zinc/28/15/22/469281522.db2.gz AKSNAQBCVJPSHQ-AWEZNQCLSA-N -1 0 348.286 2.084 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccnn1C ZINC000616021690 469354608 /nfs/dbraw/zinc/35/46/08/469354608.db2.gz CJOUUAHIIJCELF-ZDUSSCGKSA-N -1 0 332.360 2.204 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599859822 469395048 /nfs/dbraw/zinc/39/50/48/469395048.db2.gz GQHFLEDLUKJSSG-UHIISALHSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1cccc([N+](=O)[O-])c1[O-] ZINC000612386485 469452093 /nfs/dbraw/zinc/45/20/93/469452093.db2.gz IUQDRKCGHSYBAW-SNVBAGLBSA-N -1 0 336.250 2.442 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000617726755 469775916 /nfs/dbraw/zinc/77/59/16/469775916.db2.gz WCMXZXVCIYUNDI-LBPRGKRZSA-N -1 0 335.703 2.199 20 5 EEBDRM Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(C(=O)[O-])[nH]1 ZINC000738448763 578015692 /nfs/dbraw/zinc/01/56/92/578015692.db2.gz NZBRPMHQTPONGB-UHFFFAOYSA-N -1 0 348.271 2.398 20 5 EEBDRM COc1cccc(C(=O)[O-])c1OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000738084340 576444181 /nfs/dbraw/zinc/44/41/81/576444181.db2.gz GREBEYASONIRHH-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM Cc1cc(N2CCC[C@H](OC(=O)c3ccc([N+](=O)[O-])[n-]3)C2)nc(C)n1 ZINC000731293997 577093081 /nfs/dbraw/zinc/09/30/81/577093081.db2.gz CVKPNINBLQJHOU-LBPRGKRZSA-N -1 0 345.359 2.156 20 5 EEBDRM CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000773922386 577373152 /nfs/dbraw/zinc/37/31/52/577373152.db2.gz OCVADYYCOXMGMG-JTQLQIEISA-N -1 0 326.374 2.226 20 5 EEBDRM Nc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000776624331 577464812 /nfs/dbraw/zinc/46/48/12/577464812.db2.gz FEYHXQJNFRBCLF-OAHLLOKOSA-N -1 0 341.323 2.001 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000767077386 577530348 /nfs/dbraw/zinc/53/03/48/577530348.db2.gz PNFPHFGXNPLINN-TVQRCGJNSA-N -1 0 338.385 2.445 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1OC ZINC000768864802 577564512 /nfs/dbraw/zinc/56/45/12/577564512.db2.gz UONYHTQEDHRPGH-UHFFFAOYSA-N -1 0 344.370 2.474 20 5 EEBDRM Cc1cc2c(cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)OCO2 ZINC000768890275 577565172 /nfs/dbraw/zinc/56/51/72/577565172.db2.gz JDIXPVLCXATRAY-UHFFFAOYSA-N -1 0 342.354 2.494 20 5 EEBDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000758156038 577617259 /nfs/dbraw/zinc/61/72/59/577617259.db2.gz YANDZHZSSQQUHG-UHFFFAOYSA-N -1 0 334.250 2.095 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC12CCCC2 ZINC000747478906 577945280 /nfs/dbraw/zinc/94/52/80/577945280.db2.gz IDNCWVCYKTVULL-LBPRGKRZSA-N -1 0 338.385 2.288 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000739139157 578040479 /nfs/dbraw/zinc/04/04/79/578040479.db2.gz XKHSDZCOKFCJBU-SECBINFHSA-N -1 0 340.382 2.265 20 5 EEBDRM Nc1ccc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000739205608 578043937 /nfs/dbraw/zinc/04/39/37/578043937.db2.gz UYFGLOKHZYAORO-UHFFFAOYSA-N -1 0 344.327 2.239 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)OCc2ccccc2)c1 ZINC000739323296 578048550 /nfs/dbraw/zinc/04/85/50/578048550.db2.gz DYMLSLSQPNWRSU-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000739349407 578049443 /nfs/dbraw/zinc/04/94/43/578049443.db2.gz MFJNBVVREILZKO-UHFFFAOYSA-N -1 0 345.267 2.382 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)CC2 ZINC000739524270 578056639 /nfs/dbraw/zinc/05/66/39/578056639.db2.gz AXTQHTUPIMPCRI-CYBMUJFWSA-N -1 0 343.339 2.403 20 5 EEBDRM O=C([O-])CCCc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000739710216 578065081 /nfs/dbraw/zinc/06/50/81/578065081.db2.gz DGUMGFSQJKYGRB-UHFFFAOYSA-N -1 0 336.329 2.106 20 5 EEBDRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000736191649 578185473 /nfs/dbraw/zinc/18/54/73/578185473.db2.gz YSKMVERSRPRGAE-UHFFFAOYSA-N -1 0 332.268 2.053 20 5 EEBDRM CC(C)n1cnnc1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736540124 578210235 /nfs/dbraw/zinc/21/02/35/578210235.db2.gz SWQLWAZAKWXLEZ-GQCTYLIASA-N -1 0 331.332 2.477 20 5 EEBDRM CC[C@H](C)[C@@H](O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736880151 578228252 /nfs/dbraw/zinc/22/82/52/578228252.db2.gz MKRIHNMAUIJVPP-CPCISQLKSA-N -1 0 327.293 2.020 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000737094690 578237756 /nfs/dbraw/zinc/23/77/56/578237756.db2.gz HRZDWQUXPWVWDQ-UHFFFAOYSA-N -1 0 339.304 2.057 20 5 EEBDRM CCc1ccc(OCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000737267737 578247081 /nfs/dbraw/zinc/24/70/81/578247081.db2.gz IBDNKVSESZMTFT-BMIGLBTASA-N -1 0 338.360 2.152 20 5 EEBDRM COc1ccc(CC(=O)Oc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000737984038 578275382 /nfs/dbraw/zinc/27/53/82/578275382.db2.gz FGMSELSDBHFHRP-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM CC(C)[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000036966049 597039625 /nfs/dbraw/zinc/03/96/25/597039625.db2.gz QGPOUJBWQJYVDD-JTQLQIEISA-N -1 0 345.149 2.196 20 5 EEBDRM O=C([O-])c1ccnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000821554505 598219002 /nfs/dbraw/zinc/21/90/02/598219002.db2.gz YMJWIZXZMKJZBY-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704630 601380462 /nfs/dbraw/zinc/38/04/62/601380462.db2.gz ZUNXYHCUWXKCTH-OUAUKWLOSA-N -1 0 335.360 2.032 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccn1 ZINC000833127146 601449226 /nfs/dbraw/zinc/44/92/26/601449226.db2.gz VDYFGWPGSDFEQM-NSHDSACASA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cn2cc3ccccc3n2)cc([N+](=O)[O-])c1 ZINC000833123188 601451903 /nfs/dbraw/zinc/45/19/03/601451903.db2.gz YTEDLAKOWAMEKP-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM CC[C@@H]1CCC[C@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000829118543 601688408 /nfs/dbraw/zinc/68/84/08/601688408.db2.gz JEEUZUHTZYPWOE-ZYHUDNBSSA-N -1 0 335.360 2.400 20 5 EEBDRM Cc1oc(COC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1C(=O)[O-] ZINC000833025980 602014086 /nfs/dbraw/zinc/01/40/86/602014086.db2.gz BJTQKSGFXBKLLT-UHFFFAOYSA-N -1 0 338.247 2.273 20 5 EEBDRM CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC000830523696 602350639 /nfs/dbraw/zinc/35/06/39/602350639.db2.gz PCNZLVDBMXPCKN-UHFFFAOYSA-N -1 0 343.267 2.304 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@]2(CCO)CCOC2)cc1Cl ZINC000833307849 604273003 /nfs/dbraw/zinc/27/30/03/604273003.db2.gz QMJZLWRREVQCCC-AWEZNQCLSA-N -1 0 344.751 2.147 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1(C(=O)[O-])CCCC1 ZINC000832958552 604453723 /nfs/dbraw/zinc/45/37/23/604453723.db2.gz KSFZZYXEJCGAPT-UHFFFAOYSA-N -1 0 335.360 2.171 20 5 EEBDRM O=C([O-])c1ccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000833781619 604532588 /nfs/dbraw/zinc/53/25/88/604532588.db2.gz DKBWVKZFBSYFML-CYBMUJFWSA-N -1 0 333.296 2.112 20 5 EEBDRM O=C([O-])COc1cccc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000833259986 604899285 /nfs/dbraw/zinc/89/92/85/604899285.db2.gz SQWDDHPQHGBZEC-UHFFFAOYSA-N -1 0 335.243 2.417 20 5 EEBDRM CC(C)(C)C(=O)N[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833420413 605182733 /nfs/dbraw/zinc/18/27/33/605182733.db2.gz JOFKKGFUXZWGSX-LBPRGKRZSA-N -1 0 349.387 2.424 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000121746539 687660226 /nfs/dbraw/zinc/66/02/26/687660226.db2.gz COAHDSGIAGOEOE-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM C[C@H](CN1Cc2ccccc2C1=O)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000811100947 1199886472 /nfs/dbraw/zinc/88/64/72/1199886472.db2.gz NDNNTOUQGPEJQF-SNVBAGLBSA-N -1 0 329.312 2.124 20 5 EEBDRM COc1ccc(CN(CCO)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000880572620 1201526716 /nfs/dbraw/zinc/52/67/16/1201526716.db2.gz YXHNAPVVZLZARK-UHFFFAOYSA-N -1 0 332.356 2.304 20 5 EEBDRM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000113946768 1225658514 /nfs/dbraw/zinc/65/85/14/1225658514.db2.gz GHBMBCBLXJCMEK-QMMMGPOBSA-N -1 0 343.336 2.378 20 5 EEBDRM CCOc1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000120028735 1229655752 /nfs/dbraw/zinc/65/57/52/1229655752.db2.gz GINXIVPWXJGYPX-UHFFFAOYSA-N -1 0 329.359 2.251 20 5 EEBDRM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885324 1277380940 /nfs/dbraw/zinc/38/09/40/1277380940.db2.gz CZZLMMJHRQMKIP-SECBINFHSA-N -1 0 332.353 2.365 20 5 EEBDRM O=C(CCC1CCC1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850888570 1277381935 /nfs/dbraw/zinc/38/19/35/1277381935.db2.gz LKAHYAUYAWFUNZ-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM CCC(=CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])CC ZINC000850889756 1277382384 /nfs/dbraw/zinc/38/23/84/1277382384.db2.gz YSJNJLTWAVILTO-UHFFFAOYSA-N -1 0 330.337 2.285 20 5 EEBDRM O=C(O[C@H]1CCN(C2CCCCC2)C1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000859597110 1294537401 /nfs/dbraw/zinc/53/74/01/1294537401.db2.gz DKXMDIREQXHLRS-HNNXBMFYSA-N -1 0 348.355 2.391 20 5 EEBDRM COc1cccc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)c1OC ZINC001213596015 1296101718 /nfs/dbraw/zinc/10/17/18/1296101718.db2.gz IIIVKIBEMIAUPL-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC001226650683 1301495042 /nfs/dbraw/zinc/49/50/42/1301495042.db2.gz BBLNDGGEDMPPPJ-SECBINFHSA-N -1 0 333.300 2.325 20 5 EEBDRM O=c1[n-]nc(O[C@@H](C[N+](=O)[O-])c2cccnc2)c(Cl)c1Cl ZINC001227601940 1301904777 /nfs/dbraw/zinc/90/47/77/1301904777.db2.gz JIYFVVDIZUZJQY-ZETCQYMHSA-N -1 0 331.115 2.281 20 5 EEBDRM COC(=O)[C@H]1CC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228609944 1302336537 /nfs/dbraw/zinc/33/65/37/1302336537.db2.gz JPGAJNMCPOQNIR-AOOOYVTPSA-N -1 0 337.332 2.078 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(O[C@H]4CCCOC4)c3nc2cc1C ZINC001228683669 1302379688 /nfs/dbraw/zinc/37/96/88/1302379688.db2.gz BTFHFPHLRCSUGT-NSHDSACASA-N -1 0 326.356 2.453 20 5 EEBDRM COC(=O)[C@@H]1CCC[C@@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231225529 1303690704 /nfs/dbraw/zinc/69/07/04/1303690704.db2.gz ZECPFADBEDKCQM-RKDXNWHRSA-N -1 0 340.288 2.319 20 5 EEBDRM CC1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CCCCC1 ZINC000781474086 1303804015 /nfs/dbraw/zinc/80/40/15/1303804015.db2.gz FPCMPKPBFHXZPV-UHFFFAOYSA-N -1 0 332.403 2.432 20 5 EEBDRM O=C1COc2cc3nc(-c4cc([O-])ccc4[N+](=O)[O-])[nH]c3cc2N1 ZINC001250854682 1317347019 /nfs/dbraw/zinc/34/70/19/1317347019.db2.gz WWJKFADTXBIQAT-UHFFFAOYSA-N -1 0 326.268 2.175 20 5 EEBDRM COC(=O)c1n[nH]cc1[N-]c1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001158632702 1319347081 /nfs/dbraw/zinc/34/70/81/1319347081.db2.gz ZRPDAAMGMJGWEM-UHFFFAOYSA-N -1 0 344.740 2.013 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001608512471 1351707387 /nfs/dbraw/zinc/70/73/87/1351707387.db2.gz LIIKTTUGTYXSHN-OAHLLOKOSA-N -1 0 348.290 2.174 20 5 EEBDRM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)o1)c1cccc([N+](=O)[O-])c1 ZINC001590010117 1349106757 /nfs/dbraw/zinc/10/67/57/1349106757.db2.gz NPIOMQKKVPPTNT-MRVPVSSYSA-N -1 0 329.272 2.286 20 5 EEBDRM Cc1ccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c(N)c1[N+](=O)[O-] ZINC001600457170 1350056528 /nfs/dbraw/zinc/05/65/28/1350056528.db2.gz OKVBFDRMXOCPFS-QPJJXVBHSA-N -1 0 331.284 2.429 20 5 EEBDRM O=C([O-])c1ccc(OCc2nncn2-c2ccccc2)cc1[N+](=O)[O-] ZINC001602392468 1350509668 /nfs/dbraw/zinc/50/96/68/1350509668.db2.gz KUUJPOTWVJAQPY-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM CC(C)(C)C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(=O)[O-] ZINC001603328638 1350688867 /nfs/dbraw/zinc/68/88/67/1350688867.db2.gz YDHPQNLPWKFYDY-NSHDSACASA-N -1 0 344.389 2.300 20 5 EEBDRM O=C([O-])CC1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001608679566 1351740352 /nfs/dbraw/zinc/74/03/52/1351740352.db2.gz YHQMPLRYECSYJE-UHFFFAOYSA-N -1 0 349.387 2.472 20 5 EEBDRM O=C([O-])CC1(COc2ccc(Br)nc2[N+](=O)[O-])CC1 ZINC001608681025 1351740631 /nfs/dbraw/zinc/74/06/31/1351740631.db2.gz CLSRBDCUYUEITN-UHFFFAOYSA-N -1 0 331.122 2.386 20 5 EEBDRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001608818931 1351771232 /nfs/dbraw/zinc/77/12/32/1351771232.db2.gz GFGFDTUEHKCMGM-SECBINFHSA-N -1 0 334.662 2.183 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001318955610 1332628539 /nfs/dbraw/zinc/62/85/39/1332628539.db2.gz CTYYDLXONHWCFP-SNVBAGLBSA-N -1 0 326.374 2.226 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCC(=O)N2CCCCCC2)c1 ZINC001608915489 1351793354 /nfs/dbraw/zinc/79/33/54/1351793354.db2.gz YJIFBGMZYYRQLN-UHFFFAOYSA-N -1 0 335.360 2.498 20 5 EEBDRM O=C(Nc1cnn(Cc2cccnc2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001320370522 1332869675 /nfs/dbraw/zinc/86/96/75/1332869675.db2.gz IMOZBMSZRKRNNW-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001608985187 1351808331 /nfs/dbraw/zinc/80/83/31/1351808331.db2.gz UJLAQLKHZSZFLV-WDEREUQCSA-N -1 0 332.268 2.128 20 5 EEBDRM O=Cc1cc([N+](=O)[O-])ccc1OCc1cn2cccc(C(=O)[O-])c2n1 ZINC001609048597 1351823384 /nfs/dbraw/zinc/82/33/84/1351823384.db2.gz GTKFMWGUJZFVRM-UHFFFAOYSA-N -1 0 341.279 2.332 20 5 EEBDRM CC(=O)Nc1cccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001609625631 1352044137 /nfs/dbraw/zinc/04/41/37/1352044137.db2.gz QGGRPUQUFGBNIM-UHFFFAOYSA-N -1 0 330.300 2.259 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)[O-] ZINC001609902044 1352115213 /nfs/dbraw/zinc/11/52/13/1352115213.db2.gz QQCPIMSWQPDVSU-OQPBUACISA-N -1 0 341.339 2.029 20 5 EEBDRM CC[C@H]1CN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2C)C[C@H](C)O1 ZINC001344234367 1337384993 /nfs/dbraw/zinc/38/49/93/1337384993.db2.gz LNTXRAKTTLKOGA-JQWIXIFHSA-N -1 0 347.375 2.100 20 5 EEBDRM CC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001344438298 1337393529 /nfs/dbraw/zinc/39/35/29/1337393529.db2.gz NERUIZODRKWLEV-ZWNOBZJWSA-N -1 0 326.374 2.226 20 5 EEBDRM CCC[C@@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001609958817 1352130648 /nfs/dbraw/zinc/13/06/48/1352130648.db2.gz DTPDTOZSTGJYSM-SNVBAGLBSA-N -1 0 341.751 2.051 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610119784 1352166579 /nfs/dbraw/zinc/16/65/79/1352166579.db2.gz KZQYNZNWEJASAG-UHFFFAOYSA-N -1 0 346.299 2.275 20 5 EEBDRM COC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610169331 1352177972 /nfs/dbraw/zinc/17/79/72/1352177972.db2.gz VSIFPNRSMMOSMG-QMTHXVAHSA-N -1 0 336.344 2.067 20 5 EEBDRM COCc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001610269700 1352197200 /nfs/dbraw/zinc/19/72/00/1352197200.db2.gz HQMCTSPINVSBRF-UHFFFAOYSA-N -1 0 345.311 2.274 20 5 EEBDRM CS(=O)(=O)CCSc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001610374530 1352213073 /nfs/dbraw/zinc/21/30/73/1352213073.db2.gz NLJCMRIQWDFXPK-UHFFFAOYSA-N -1 0 339.778 2.083 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@]3(CCCO3)[C@@H]2C2CC2)n1 ZINC001610438652 1352222372 /nfs/dbraw/zinc/22/23/72/1352222372.db2.gz PPXDTHQSAIEMIZ-BBRMVZONSA-N -1 0 333.344 2.144 20 5 EEBDRM Cc1c(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc(Br)cc1C(=O)[O-] ZINC001610423339 1352220387 /nfs/dbraw/zinc/22/03/87/1352220387.db2.gz AIVJHXRIMFOJQW-PSASIEDQSA-N -1 0 343.133 2.059 20 5 EEBDRM Cc1ccc(C(=O)N2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc1[N+](=O)[O-] ZINC001610484083 1352230692 /nfs/dbraw/zinc/23/06/92/1352230692.db2.gz PKIFURSYIZZFDU-RABLLNBGSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC001610526134 1352238758 /nfs/dbraw/zinc/23/87/58/1352238758.db2.gz HPKWXISXKBNFJE-ZWNOBZJWSA-N -1 0 335.360 2.027 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](O)C1CCOCC1 ZINC001610817323 1352279986 /nfs/dbraw/zinc/27/99/86/1352279986.db2.gz FRQSUICFBQFTJD-LBPRGKRZSA-N -1 0 344.751 2.146 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001610875513 1352289105 /nfs/dbraw/zinc/28/91/05/1352289105.db2.gz LCOJVKAUCBDDBK-HNNXBMFYSA-N -1 0 348.355 2.218 20 5 EEBDRM Cc1cc(NC(C)(C)CCC(=O)[O-])cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592035278 1349586228 /nfs/dbraw/zinc/58/62/28/1349586228.db2.gz UXWWEMBCHVNNIQ-UHFFFAOYSA-N -1 0 334.336 2.139 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](C)Cn2cccn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039580 1349960113 /nfs/dbraw/zinc/96/01/13/1349960113.db2.gz HXKUKJZRYXQSCO-VIFPVBQESA-N -1 0 347.331 2.008 20 5 EEBDRM Cc1c(NC(=O)N[C@H](C)Cn2cccn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039576 1349960236 /nfs/dbraw/zinc/96/02/36/1349960236.db2.gz HXKUKJZRYXQSCO-SECBINFHSA-N -1 0 347.331 2.008 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2C[C@H](C)O[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041062 1349960476 /nfs/dbraw/zinc/96/04/76/1349960476.db2.gz PCHLJBLAAWYSQB-QOSJWCAFSA-N -1 0 337.332 2.289 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2CCOC2(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041675 1349960689 /nfs/dbraw/zinc/96/06/89/1349960689.db2.gz SAIQVJWHORTWDB-GFCCVEGCSA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](C)CC(C)(C)O)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041754 1349960710 /nfs/dbraw/zinc/96/07/10/1349960710.db2.gz XTGWVRINJSHJKD-QMMMGPOBSA-N -1 0 339.348 2.272 20 5 EEBDRM Cc1c(NC(=O)NC[C@H]2CCC=CO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043315 1349961065 /nfs/dbraw/zinc/96/10/65/1349961065.db2.gz PEERDOYRNNXULJ-LLVKDONJSA-N -1 0 335.316 2.416 20 5 EEBDRM Cc1cc(NC[C@H](O)COc2ccccc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600279171 1350009590 /nfs/dbraw/zinc/00/95/90/1350009590.db2.gz AUHOQZGAKLLIJL-LBPRGKRZSA-N -1 0 346.339 2.453 20 5 EEBDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001600291003 1350012648 /nfs/dbraw/zinc/01/26/48/1350012648.db2.gz XMHDQWULVDPUFZ-UHFFFAOYSA-N -1 0 345.311 2.201 20 5 EEBDRM Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1[N+](=O)[O-] ZINC001600416957 1350046261 /nfs/dbraw/zinc/04/62/61/1350046261.db2.gz ZIOIHFHQOSGIGE-UHFFFAOYSA-N -1 0 332.316 2.262 20 5 EEBDRM Cc1ccc(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)cc1C(=O)[O-] ZINC001600427023 1350048787 /nfs/dbraw/zinc/04/87/87/1350048787.db2.gz RRBFRDVDAJATNB-UHFFFAOYSA-N -1 0 339.311 2.303 20 5 EEBDRM Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1 ZINC001600463540 1350058122 /nfs/dbraw/zinc/05/81/22/1350058122.db2.gz PVHLAOVTKKMUDD-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001600487865 1350063188 /nfs/dbraw/zinc/06/31/88/1350063188.db2.gz CEWMXIHQASUPNQ-VXGBXAGGSA-N -1 0 335.360 2.027 20 5 EEBDRM Cc1cccc(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)c1[N+](=O)[O-] ZINC001600511686 1350069778 /nfs/dbraw/zinc/06/97/78/1350069778.db2.gz UGANHDYXQVNYNU-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1ccn([C@H](C)CC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001600594760 1350093024 /nfs/dbraw/zinc/09/30/24/1350093024.db2.gz NDXYFVSKZVIWRT-SNVBAGLBSA-N -1 0 333.300 2.355 20 5 EEBDRM Cc1n[nH]c([C@@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])C2)n1 ZINC001600696271 1350117769 /nfs/dbraw/zinc/11/77/69/1350117769.db2.gz CENLPPAKJHHNIA-SNVBAGLBSA-N -1 0 331.332 2.022 20 5 EEBDRM Cn1nc(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c2ccccc21 ZINC001601010932 1350189159 /nfs/dbraw/zinc/18/91/59/1350189159.db2.gz RHSGHHYPHWPUIR-UHFFFAOYSA-N -1 0 341.327 2.229 20 5 EEBDRM Nc1ccc([N+](=O)[O-])c(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001601216613 1350233666 /nfs/dbraw/zinc/23/36/66/1350233666.db2.gz JLGPJBONRBVQSE-KRWDZBQOSA-N -1 0 327.340 2.410 20 5 EEBDRM O=C([O-])c1cccc(OCC(=O)OCc2ccccc2)c1[N+](=O)[O-] ZINC001601343991 1350261975 /nfs/dbraw/zinc/26/19/75/1350261975.db2.gz IYMFKMMFRDJHEG-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM O=C([O-])c1occc1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001601359244 1350266030 /nfs/dbraw/zinc/26/60/30/1350266030.db2.gz CYINICFLGSWMCV-UHFFFAOYSA-N -1 0 338.703 2.398 20 5 EEBDRM O=C([O-])[C@@H](F)CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001601521612 1350299952 /nfs/dbraw/zinc/29/99/52/1350299952.db2.gz JLDJQNZGEJPKEI-YFKPBYRVSA-N -1 0 343.069 2.193 20 5 EEBDRM O=C([O-])c1cccc(F)c1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001601580056 1350311568 /nfs/dbraw/zinc/31/15/68/1350311568.db2.gz FEBALOGJIATUFI-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM O=C([O-])c1cccc2[nH]c(NC(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC001601631693 1350323961 /nfs/dbraw/zinc/32/39/61/1350323961.db2.gz RXXLINOEZJYBOX-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCOC1 ZINC001601654369 1350329121 /nfs/dbraw/zinc/32/91/21/1350329121.db2.gz BRVSBRQEGJEWRQ-CMPLNLGQSA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC001601932323 1350400064 /nfs/dbraw/zinc/40/00/64/1350400064.db2.gz SJCSFCUPQRQLLP-UHFFFAOYSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])C[C@@H]1CCCCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC001601949525 1350403990 /nfs/dbraw/zinc/40/39/90/1350403990.db2.gz HRDBGCQJLRZLAU-LBPRGKRZSA-N -1 0 345.359 2.140 20 5 EEBDRM O=C([O-])COc1cccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001602094934 1350436043 /nfs/dbraw/zinc/43/60/43/1350436043.db2.gz WGZROGBAMZEABM-UHFFFAOYSA-N -1 0 348.286 2.379 20 5 EEBDRM O=C([O-])Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC001602123442 1350444755 /nfs/dbraw/zinc/44/47/55/1350444755.db2.gz URAXYCSIGPCTSK-UHFFFAOYSA-N -1 0 348.286 2.379 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001602244271 1350474972 /nfs/dbraw/zinc/47/49/72/1350474972.db2.gz ZPFXKHVJQPTHQL-GJZGRUSLSA-N -1 0 348.355 2.467 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H]2CC(=O)c3ccccc32)cc([N+](=O)[O-])c1 ZINC001602245040 1350474996 /nfs/dbraw/zinc/47/49/96/1350474996.db2.gz JPEHEVQQAGAGPT-AWEZNQCLSA-N -1 0 340.291 2.351 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@@H]2Cc3ccccc3O2)cc([N+](=O)[O-])c1 ZINC001602246330 1350475545 /nfs/dbraw/zinc/47/55/45/1350475545.db2.gz SZXLKAOGQBQUCC-AWEZNQCLSA-N -1 0 342.307 2.027 20 5 EEBDRM O=C([O-])c1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c(F)c1 ZINC001602319548 1350493016 /nfs/dbraw/zinc/49/30/16/1350493016.db2.gz KMEXLMGQDCFSAF-UHFFFAOYSA-N -1 0 345.286 2.026 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)[nH]1 ZINC001602323845 1350494538 /nfs/dbraw/zinc/49/45/38/1350494538.db2.gz HRCVALJBKFPFOO-UHFFFAOYSA-N -1 0 341.682 2.344 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2nc3c(s2)COCC3)c1 ZINC001602405921 1350511780 /nfs/dbraw/zinc/51/17/80/1350511780.db2.gz VZEGDIJNMCKVQT-UHFFFAOYSA-N -1 0 335.341 2.434 20 5 EEBDRM O=C([O-])c1cccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001602436453 1350519282 /nfs/dbraw/zinc/51/92/82/1350519282.db2.gz PQVKNCSIIFEXBU-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM O=C([O-])c1cccc2c1OCCN(C(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC001602461483 1350524435 /nfs/dbraw/zinc/52/44/35/1350524435.db2.gz FLFJVTIRHFQAEL-UHFFFAOYSA-N -1 0 348.336 2.389 20 5 EEBDRM O=C([O-])c1cnc(NCC2CCN(CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC001602528939 1350539560 /nfs/dbraw/zinc/53/95/60/1350539560.db2.gz BVKZJQZAZVSUBM-UHFFFAOYSA-N -1 0 344.318 2.077 20 5 EEBDRM O=C([O-])c1cnc(N[C@H]2C[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001602534601 1350541002 /nfs/dbraw/zinc/54/10/02/1350541002.db2.gz GYGAGNQBQTWIIH-XFHMXUHZSA-N -1 0 343.339 2.193 20 5 EEBDRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC001603153802 1350651502 /nfs/dbraw/zinc/65/15/02/1350651502.db2.gz RHVZCJSBDQCJCG-YMTOWFKASA-N -1 0 347.302 2.175 20 5 EEBDRM C[C@](NC(=O)C1CC(F)(F)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604264653 1350904855 /nfs/dbraw/zinc/90/48/55/1350904855.db2.gz NBKRMILUHAOSQW-CYBMUJFWSA-N -1 0 328.271 2.056 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NC/C=C/C2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604315626 1350913723 /nfs/dbraw/zinc/91/37/23/1350913723.db2.gz ZILJPDGAJPUCGC-VMZHVLLKSA-N -1 0 333.344 2.176 20 5 EEBDRM CN(C)c1ccccc1CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604702491 1350988188 /nfs/dbraw/zinc/98/81/88/1350988188.db2.gz OHSSCSDDPFLVPN-UHFFFAOYSA-N -1 0 339.359 2.453 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001605062333 1351069764 /nfs/dbraw/zinc/06/97/64/1351069764.db2.gz YMWWQIZGRWBVMQ-LRDDRELGSA-N -1 0 338.335 2.189 20 5 EEBDRM CCC1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001605173051 1351094980 /nfs/dbraw/zinc/09/49/80/1351094980.db2.gz WEAMYUSAQYPVGA-NSHDSACASA-N -1 0 349.387 2.424 20 5 EEBDRM CCCc1ccc(C(=O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1 ZINC001605373882 1351147649 /nfs/dbraw/zinc/14/76/49/1351147649.db2.gz VRNQKHAWWBPDLO-UHFFFAOYSA-N -1 0 344.323 2.290 20 5 EEBDRM C[C@]12CN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001605450508 1351160377 /nfs/dbraw/zinc/16/03/77/1351160377.db2.gz CIJBZGOCDDALGA-YRZLHWLASA-N -1 0 338.371 2.423 20 5 EEBDRM CCNC(=O)[C@@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC001605495644 1351170970 /nfs/dbraw/zinc/17/09/70/1351170970.db2.gz AYKOCAWVWLKAOW-LYASGUKUSA-N -1 0 335.360 2.265 20 5 EEBDRM CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](COC1CCC1)C(=O)[O-] ZINC001606177662 1351282652 /nfs/dbraw/zinc/28/26/52/1351282652.db2.gz NYKCAGCXELNFNF-CYBMUJFWSA-N -1 0 349.343 2.190 20 5 EEBDRM COC(=O)[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC001606506796 1351313584 /nfs/dbraw/zinc/31/35/84/1351313584.db2.gz LYPPDTDQMNXPOD-ZYHUDNBSSA-N -1 0 336.344 2.067 20 5 EEBDRM COc1cc(COC(=O)C(C)(C)CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607165308 1351441846 /nfs/dbraw/zinc/44/18/46/1351441846.db2.gz WLIHBTMCBPBGGK-UHFFFAOYSA-N -1 0 329.280 2.287 20 5 EEBDRM C[C@@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccccc1[N+](=O)[O-] ZINC001607421006 1351491744 /nfs/dbraw/zinc/49/17/44/1351491744.db2.gz NXULVOQHKVGUKM-PWSUYJOCSA-N -1 0 335.360 2.456 20 5 EEBDRM Cc1[nH]c(CN2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1C(=O)[O-] ZINC001607493237 1351504651 /nfs/dbraw/zinc/50/46/51/1351504651.db2.gz AFFUNQJTNBBDHF-UHFFFAOYSA-N -1 0 331.328 2.193 20 5 EEBDRM Cc1c(CC(=O)N[C@H](C(=O)[O-])c2ccsc2)cccc1[N+](=O)[O-] ZINC001607527151 1351511068 /nfs/dbraw/zinc/51/10/68/1351511068.db2.gz VEPRJNIESBPDBH-AWEZNQCLSA-N -1 0 334.353 2.449 20 5 EEBDRM Cc1c(NC(=O)N(C)CC(C)(C)CO)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607541326 1351512877 /nfs/dbraw/zinc/51/28/77/1351512877.db2.gz TYMSWWKWURUPOF-UHFFFAOYSA-N -1 0 339.348 2.084 20 5 EEBDRM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001607555435 1351515133 /nfs/dbraw/zinc/51/51/33/1351515133.db2.gz VZCJFLLEVKHTJK-JOYOIKCWSA-N -1 0 340.307 2.393 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc([S@@](C)=O)cc2)n1 ZINC001607589531 1351520538 /nfs/dbraw/zinc/52/05/38/1351520538.db2.gz OTTAKLDIWZOSLN-XMMPIXPASA-N -1 0 349.368 2.346 20 5 EEBDRM Cc1cc(C)cc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C(=O)[O-])c1 ZINC001607625943 1351528238 /nfs/dbraw/zinc/52/82/38/1351528238.db2.gz CDJMJPFKIWNRJT-OAHLLOKOSA-N -1 0 343.339 2.350 20 5 EEBDRM Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607693272 1351541012 /nfs/dbraw/zinc/54/10/12/1351541012.db2.gz CAXMBZMGKQVOGI-OPQQBVKSSA-N -1 0 333.344 2.023 20 5 EEBDRM Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C(=O)[O-])cc1C ZINC001607756080 1351553244 /nfs/dbraw/zinc/55/32/44/1351553244.db2.gz FYRJVZJNLOHJKK-HNNXBMFYSA-N -1 0 343.339 2.350 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001608086865 1351622322 /nfs/dbraw/zinc/62/23/22/1351622322.db2.gz UGVXIZISRPICQQ-GFCCVEGCSA-N -1 0 346.343 2.327 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1CC(C)C ZINC000835077557 1372588606 /nfs/dbraw/zinc/58/86/06/1372588606.db2.gz RZSPEBLIICJMNB-DGCLKSJQSA-N -1 0 340.401 2.390 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)cc1[N+](=O)[O-] ZINC000835748534 1372653250 /nfs/dbraw/zinc/65/32/50/1372653250.db2.gz VZLVPIWSXOBWRA-SUNKGSAMSA-N -1 0 338.385 2.151 20 5 EEBDRM Cc1cc([C@](C)(O)CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(C)o1 ZINC000179528734 774031667 /nfs/dbraw/zinc/03/16/67/774031667.db2.gz HAYXBNCQSLMKQD-MRXNPFEDSA-N -1 0 334.328 2.148 20 5 EEBDRM CO[C@@]1(C(F)(F)F)CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000906151212 783740992 /nfs/dbraw/zinc/74/09/92/783740992.db2.gz BWHDIVKBFXLIAB-ZDUSSCGKSA-N -1 0 348.277 2.380 20 5 EEBDRM Cn1nc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000816710894 784222461 /nfs/dbraw/zinc/22/24/61/784222461.db2.gz JVWGNEQIRGSBSD-UHFFFAOYSA-N -1 0 341.121 2.049 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)oc1C ZINC000129284225 786370032 /nfs/dbraw/zinc/37/00/32/786370032.db2.gz GVKWNVGBWWYJHI-UHFFFAOYSA-N -1 0 338.341 2.232 20 5 EEBDRM C[C@](O)(CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC000844209492 788928671 /nfs/dbraw/zinc/92/86/71/788928671.db2.gz FZXBTGYWCDKIEE-INIZCTEOSA-N -1 0 331.328 2.398 20 5 EEBDRM CCC(CC)CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000151761159 794143304 /nfs/dbraw/zinc/14/33/04/794143304.db2.gz UPZDLZILIZORAS-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM NC(=O)c1ccc(Cl)nc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176675462 798523514 /nfs/dbraw/zinc/52/35/14/798523514.db2.gz YGBOVAXSNODONU-UHFFFAOYSA-N -1 0 336.691 2.184 20 5 EEBDRM COC(=O)c1ccc(N)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176676874 798524266 /nfs/dbraw/zinc/52/42/66/798524266.db2.gz KRGNAIFIPKNCJB-UHFFFAOYSA-N -1 0 331.284 2.405 20 5 EEBDRM O=C(Nc1cnn(-c2ccccc2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780697491 798857611 /nfs/dbraw/zinc/85/76/11/798857611.db2.gz NBLKKTLFVFLJPO-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001595164957 952207032 /nfs/dbraw/zinc/20/70/32/952207032.db2.gz UYVDSVQHXSCGDP-LBPRGKRZSA-N -1 0 326.736 2.256 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001589305049 953731748 /nfs/dbraw/zinc/73/17/48/953731748.db2.gz PDRZGJALQAXBGP-DGCLKSJQSA-N -1 0 345.355 2.261 20 5 EEBDRM Nc1c(Cl)cc(C(=O)Nc2ccnc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001594663786 956555456 /nfs/dbraw/zinc/55/54/56/956555456.db2.gz XUGXVOZOHUPBRT-UHFFFAOYSA-N -1 0 336.691 2.176 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001589188260 956576774 /nfs/dbraw/zinc/57/67/74/956576774.db2.gz VVRKAYAYGRSGPN-UHFFFAOYSA-N -1 0 342.298 2.400 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000051361326 957504030 /nfs/dbraw/zinc/50/40/30/957504030.db2.gz RSEXMICWPGWQMA-UHFFFAOYSA-N -1 0 330.094 2.202 20 5 EEBDRM Nc1c(C(=O)N2CCC[C@@H]2C(=O)[O-])cc2ccccc2c1[N+](=O)[O-] ZINC001574804725 957852946 /nfs/dbraw/zinc/85/29/46/957852946.db2.gz RVTQMTAUQVNAGZ-GFCCVEGCSA-N -1 0 329.312 2.019 20 5 EEBDRM COc1ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001594106808 958476457 /nfs/dbraw/zinc/47/64/57/958476457.db2.gz WSAHVGAZHWCFFS-LLVKDONJSA-N -1 0 325.321 2.224 20 5 EEBDRM C[C@H](NC(=O)C1(C(=O)[O-])CCSCC1)c1ccccc1[N+](=O)[O-] ZINC001594234490 959497634 /nfs/dbraw/zinc/49/76/34/959497634.db2.gz LCGWSWOXAVBXLK-JTQLQIEISA-N -1 0 338.385 2.370 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N([C@H](C)C(=O)[O-])C2CC2)c1 ZINC001574381880 961108623 /nfs/dbraw/zinc/10/86/23/961108623.db2.gz IDTFSIVMYMRRDS-LLVKDONJSA-N -1 0 336.344 2.136 20 5 EEBDRM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001588928468 962453715 /nfs/dbraw/zinc/45/37/15/962453715.db2.gz YBOKVIWGDBCFJI-UHFFFAOYSA-N -1 0 333.304 2.089 20 5 EEBDRM C[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H]1C(=O)[O-] ZINC001603406754 973066804 /nfs/dbraw/zinc/06/68/04/973066804.db2.gz BUSAPIHCQMACGJ-OTYXRUKQSA-N -1 0 331.328 2.401 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001591751117 975801594 /nfs/dbraw/zinc/80/15/94/975801594.db2.gz IZQWESLCRYNLSY-LBPRGKRZSA-N -1 0 334.328 2.285 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)ccc1[N+](=O)[O-] ZINC001591751814 975809837 /nfs/dbraw/zinc/80/98/37/975809837.db2.gz HPZCVTPNVNPVSH-CMPLNLGQSA-N -1 0 336.344 2.317 20 5 EEBDRM C[C@H](/C=C/C(=O)[O-])NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001592203241 977226610 /nfs/dbraw/zinc/22/66/10/977226610.db2.gz YVGJRKVJKAHOBU-IBDUZEINSA-N -1 0 344.776 2.486 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC001592309545 977679459 /nfs/dbraw/zinc/67/94/59/977679459.db2.gz VHMJQGIFPSZYKD-MRXNPFEDSA-N -1 0 329.312 2.110 20 5 EEBDRM O=C([O-])CC1CC(Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000718049684 977934439 /nfs/dbraw/zinc/93/44/39/977934439.db2.gz SBQQPAKJVHVQAN-UHFFFAOYSA-N -1 0 330.138 2.418 20 5 EEBDRM C[C@H](CC(C)(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001592444035 978100339 /nfs/dbraw/zinc/10/03/39/978100339.db2.gz IMMIIVATKVDOPJ-SECBINFHSA-N -1 0 344.389 2.396 20 5 EEBDRM COCCN(CCC(=O)[O-])C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000828091220 978968778 /nfs/dbraw/zinc/96/87/78/978968778.db2.gz NRAFTSUJKWQABX-UHFFFAOYSA-N -1 0 338.360 2.282 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001595053296 979285315 /nfs/dbraw/zinc/28/53/15/979285315.db2.gz DSIGWGAAZGITSW-UHFFFAOYSA-N -1 0 338.316 2.087 20 5 EEBDRM C[C@@]1(C(F)F)CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000853029639 979593379 /nfs/dbraw/zinc/59/33/79/979593379.db2.gz NFJLGEQRHHHGTC-AWEZNQCLSA-N -1 0 330.287 2.082 20 5 EEBDRM C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593044591 980333090 /nfs/dbraw/zinc/33/30/90/980333090.db2.gz QLMLTAQXZSBKFW-QMMMGPOBSA-N -1 0 335.341 2.169 20 5 EEBDRM O=C([O-])c1ccc(F)c2c1CN(Cc1cccnc1[N+](=O)[O-])CC2 ZINC000903605596 980986836 /nfs/dbraw/zinc/98/68/36/980986836.db2.gz AVNCOPRDEJMEBQ-UHFFFAOYSA-N -1 0 331.303 2.385 20 5 EEBDRM CCCCC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001595657625 982064329 /nfs/dbraw/zinc/06/43/29/982064329.db2.gz WUGGQHJSBRWYAX-UHFFFAOYSA-N -1 0 342.373 2.294 20 5 EEBDRM CCCN(CC(=O)OC)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001595860275 982794691 /nfs/dbraw/zinc/79/46/91/982794691.db2.gz KCFNCFKSDUKZFX-UHFFFAOYSA-N -1 0 330.724 2.336 20 5 EEBDRM CCOC1CC2(C[C@@H]2C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001596848593 985569531 /nfs/dbraw/zinc/56/95/31/985569531.db2.gz CKUISIFEJBVSEG-YZKWQOGNSA-N -1 0 335.312 2.404 20 5 EEBDRM CCOc1cccc(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001597150506 986927088 /nfs/dbraw/zinc/92/70/88/986927088.db2.gz SHBGXGVPWHRFAC-UHFFFAOYSA-N -1 0 345.311 2.268 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001589712657 987848218 /nfs/dbraw/zinc/84/82/18/987848218.db2.gz DTVRTBLFOSCRLB-ZDUSSCGKSA-N -1 0 326.324 2.282 20 5 EEBDRM C[C@@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC001599838030 988776644 /nfs/dbraw/zinc/77/66/44/988776644.db2.gz GEHXMBBKTKZNAP-LLVKDONJSA-N -1 0 346.343 2.147 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(C(=O)[O-])on1 ZINC001598508683 992539170 /nfs/dbraw/zinc/53/91/70/992539170.db2.gz WANCONZBKHQQJG-UHFFFAOYSA-N -1 0 339.691 2.207 20 5 EEBDRM COc1ccc(OC(=O)c2c(C)coc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC001599599867 993800159 /nfs/dbraw/zinc/80/01/59/993800159.db2.gz UJYBBGILBMQZGJ-UHFFFAOYSA-N -1 0 335.268 2.351 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N[C@@H]2CCC2(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169901 994024125 /nfs/dbraw/zinc/02/41/25/994024125.db2.gz GQWBIMNKJZYNBW-NOZJJQNGSA-N -1 0 335.360 2.398 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001599621844 994094488 /nfs/dbraw/zinc/09/44/88/994094488.db2.gz CRZJQMYBQKEAMS-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1cccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1[N+](=O)[O-] ZINC001599641470 994365063 /nfs/dbraw/zinc/36/50/63/994365063.db2.gz PEMXGBPPHWLQAF-LLVKDONJSA-N -1 0 336.325 2.221 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001593765204 996440550 /nfs/dbraw/zinc/44/05/50/996440550.db2.gz PEUVKJNTQFNWIX-VBQJREDUSA-N -1 0 332.356 2.412 20 5 EEBDRM COC(=O)CCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598852006 996612219 /nfs/dbraw/zinc/61/22/19/996612219.db2.gz HAUBPCHMAJRJDL-UHFFFAOYSA-N -1 0 330.724 2.336 20 5 EEBDRM COc1ccc(C(=O)NCc2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001599484626 996825639 /nfs/dbraw/zinc/82/56/39/996825639.db2.gz AYARGAUQHYXUOX-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM CO[C@@H]1C[C@@H](N(C)c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C12CCC2 ZINC001599094006 997245362 /nfs/dbraw/zinc/24/53/62/997245362.db2.gz ARNLXQNPMAZIER-VXGBXAGGSA-N -1 0 335.360 2.390 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599462029 998289570 /nfs/dbraw/zinc/28/95/70/998289570.db2.gz HMEHHUIBCMONTO-CJNGLKHVSA-N -1 0 334.328 2.073 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001599462549 998299506 /nfs/dbraw/zinc/29/95/06/998299506.db2.gz YZOPUMVPRBXJHY-WBMJQRKESA-N -1 0 336.344 2.367 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001599462548 998299675 /nfs/dbraw/zinc/29/96/75/998299675.db2.gz YZOPUMVPRBXJHY-MLGOLLRUSA-N -1 0 336.344 2.367 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001594158552 998586382 /nfs/dbraw/zinc/58/63/82/998586382.db2.gz ISAPCXXRXMLCTK-VXNVDRBHSA-N -1 0 344.270 2.131 20 5 EEBDRM C[C@@H]1C[C@H](CO)CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001594243127 998924055 /nfs/dbraw/zinc/92/40/55/998924055.db2.gz LVXVMIRBYOVRIG-BDAKNGLRSA-N -1 0 328.752 2.401 20 5 EEBDRM O=C([O-])C1(C(=O)OCc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001601704362 1118711277 /nfs/dbraw/zinc/71/12/77/1118711277.db2.gz HLTBFCSGMGIZJM-UHFFFAOYSA-N -1 0 344.117 2.265 20 5 EEBDRM CC[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)C[C@H](C)O1 ZINC001526345047 1120504741 /nfs/dbraw/zinc/50/47/41/1120504741.db2.gz QNHHSFBHMOCQNT-CMPLNLGQSA-N -1 0 347.375 2.100 20 5 EEBDRM CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000187745574 529449152 /nfs/dbraw/zinc/44/91/52/529449152.db2.gz LRRXBVNOVMBGMG-DRNJLYFOSA-N -1 0 340.401 2.110 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1noc(C2CC2)n1 ZINC000183404008 529730894 /nfs/dbraw/zinc/73/08/94/529730894.db2.gz HQRJOYYVAWOWJB-UHFFFAOYSA-N -1 0 338.345 2.218 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2oc(=O)[nH]c2c1 ZINC000032591114 201072275 /nfs/dbraw/zinc/07/22/75/201072275.db2.gz ZXONQZLWYRVWCF-UHFFFAOYSA-N -1 0 349.324 2.139 20 5 EEBDRM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000055628340 201135193 /nfs/dbraw/zinc/13/51/93/201135193.db2.gz QPBHRBBTDHUTHI-UHFFFAOYSA-N -1 0 349.368 2.145 20 5 EEBDRM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000273397087 201256368 /nfs/dbraw/zinc/25/63/68/201256368.db2.gz FRYQFVQEMQPRQJ-MRVPVSSYSA-N -1 0 345.377 2.272 20 5 EEBDRM CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274975145 201274453 /nfs/dbraw/zinc/27/44/53/201274453.db2.gz JDJYCULTKPTBCN-JTQLQIEISA-N -1 0 344.389 2.153 20 5 EEBDRM CC(C)Cc1nnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000005909298 201667855 /nfs/dbraw/zinc/66/78/55/201667855.db2.gz CNOFFZQLWIUVPF-UHFFFAOYSA-N -1 0 342.402 2.446 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000456530625 244281137 /nfs/dbraw/zinc/28/11/37/244281137.db2.gz JCQUPGOUVRDRTA-BDJLRTHQSA-N -1 0 343.339 2.346 20 5 EEBDRM C[C@@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCCC[C@H]1C(=O)[O-] ZINC000262790460 245181812 /nfs/dbraw/zinc/18/18/12/245181812.db2.gz NCLCBEQLTCFSQE-XJKSGUPXSA-N -1 0 336.344 2.123 20 5 EEBDRM COc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000262972486 245277158 /nfs/dbraw/zinc/27/71/58/245277158.db2.gz KBXFKUBYNDZYTK-TVQRCGJNSA-N -1 0 336.344 2.237 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1CC(F)(F)F ZINC000156001668 206048544 /nfs/dbraw/zinc/04/85/44/206048544.db2.gz ZYDVXJDQPHWJGG-VIFPVBQESA-N -1 0 347.293 2.009 20 5 EEBDRM O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159893469 206268020 /nfs/dbraw/zinc/26/80/20/206268020.db2.gz ZZGZPSKKPBINDV-CQSZACIVSA-N -1 0 345.355 2.460 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cccc3c2OCCO3)cc([N+](=O)[O-])c1 ZINC000340395802 304223505 /nfs/dbraw/zinc/22/35/05/304223505.db2.gz VHWWHGFGIYDXGE-UHFFFAOYSA-N -1 0 344.279 2.317 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1nc(C(C)(C)C)no1 ZINC000130517671 292374714 /nfs/dbraw/zinc/37/47/14/292374714.db2.gz LALATLHCJBQXTK-MRVPVSSYSA-N -1 0 334.332 2.472 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2C2CCOCC2)cc([N+](=O)[O-])c1 ZINC000263578114 160473362 /nfs/dbraw/zinc/47/33/62/160473362.db2.gz SHGZZRQEMUJNEA-OAHLLOKOSA-N -1 0 348.355 2.324 20 5 EEBDRM CS(=O)(=O)c1cccc(NC2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000321882525 160537474 /nfs/dbraw/zinc/53/74/74/160537474.db2.gz JTPJBHWKNPSYFJ-UHFFFAOYSA-N -1 0 342.373 2.054 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000492313532 286773187 /nfs/dbraw/zinc/77/31/87/286773187.db2.gz PFTXPVHDLWPDOX-LLVKDONJSA-N -1 0 344.389 2.085 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000238030427 160227535 /nfs/dbraw/zinc/22/75/35/160227535.db2.gz WBGITOXSXVILQT-CYBMUJFWSA-N -1 0 340.295 2.027 20 5 EEBDRM Cc1noc([C@H]2CCCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000343962948 161184839 /nfs/dbraw/zinc/18/48/39/161184839.db2.gz PIHMDNVQMQRILR-CYBMUJFWSA-N -1 0 332.316 2.359 20 5 EEBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)c3cccc(F)c3)c2c1 ZINC000135530101 292449269 /nfs/dbraw/zinc/44/92/69/292449269.db2.gz PTGDPMCAVJWXRE-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM CCc1ncc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000359103479 164060447 /nfs/dbraw/zinc/06/04/47/164060447.db2.gz MKHWOYCFEIJSOB-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000378470497 167701379 /nfs/dbraw/zinc/70/13/79/167701379.db2.gz BJWSDFNIKBXFIB-UHFFFAOYSA-N -1 0 335.360 2.110 20 5 EEBDRM Cc1ccc2[nH]c(CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])nc2c1 ZINC000182068772 268510184 /nfs/dbraw/zinc/51/01/84/268510184.db2.gz UPZFRLIKAYIEIK-UHFFFAOYSA-N -1 0 326.312 2.415 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)CCCC(=O)[O-])c1C ZINC000274926386 269076318 /nfs/dbraw/zinc/07/63/18/269076318.db2.gz CAKIRXGZXWQNCK-SNVBAGLBSA-N -1 0 344.389 2.133 20 5 EEBDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000277277103 269146791 /nfs/dbraw/zinc/14/67/91/269146791.db2.gz SWTSIAPGLBSBSP-UHFFFAOYSA-N -1 0 337.229 2.130 20 5 EEBDRM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000288399288 275054355 /nfs/dbraw/zinc/05/43/55/275054355.db2.gz BIQNJWAELWKMDS-SNVBAGLBSA-N -1 0 347.293 2.057 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000291454331 275306996 /nfs/dbraw/zinc/30/69/96/275306996.db2.gz CUIDYIWVYIZYPP-NSHDSACASA-N -1 0 336.735 2.238 20 5 EEBDRM C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(=O)[O-] ZINC000236732029 298766616 /nfs/dbraw/zinc/76/66/16/298766616.db2.gz YRECMPGNMSIZBI-GFCCVEGCSA-N -1 0 349.387 2.282 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000062933143 300785908 /nfs/dbraw/zinc/78/59/08/300785908.db2.gz XJOUYGAPUAYPKL-NSHDSACASA-N -1 0 330.138 2.053 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000322265124 311598015 /nfs/dbraw/zinc/59/80/15/311598015.db2.gz IJXROKMSEQAITG-UFBFGSQYSA-N -1 0 325.321 2.224 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000326089710 311603119 /nfs/dbraw/zinc/60/31/19/311603119.db2.gz SBFFAVNPOZXDHC-BWFONNRKSA-N -1 0 330.340 2.320 20 5 EEBDRM O=C(Nc1ccc(OC2COC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000444525447 315305529 /nfs/dbraw/zinc/30/55/29/315305529.db2.gz IBYURTIAHZDAHG-UHFFFAOYSA-N -1 0 330.296 2.330 20 5 EEBDRM COC(=O)Nc1cccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000495630546 316028673 /nfs/dbraw/zinc/02/86/73/316028673.db2.gz FDCQSEQCPXWRMP-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM CNc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000538505120 318036838 /nfs/dbraw/zinc/03/68/38/318036838.db2.gz GSHSUKYDPRVTSR-UHFFFAOYSA-N -1 0 343.339 2.364 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000539603877 318057562 /nfs/dbraw/zinc/05/75/62/318057562.db2.gz MDSBOTLLLMYPAY-UHFFFAOYSA-N -1 0 330.252 2.274 20 5 EEBDRM O=C(CCOC[C@H]1CCCO1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000540844453 318078828 /nfs/dbraw/zinc/07/88/28/318078828.db2.gz XZNDHFSFEKWTFP-SNVBAGLBSA-N -1 0 344.751 2.478 20 5 EEBDRM COc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1OC ZINC000548122038 318357084 /nfs/dbraw/zinc/35/70/84/318357084.db2.gz QZLQHRRFKUSRST-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H](CCCO)C1 ZINC000563193634 318982411 /nfs/dbraw/zinc/98/24/11/318982411.db2.gz LKUNUPCQZRGVHI-SECBINFHSA-N -1 0 328.752 2.188 20 5 EEBDRM O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000564801122 319111454 /nfs/dbraw/zinc/11/14/54/319111454.db2.gz BYOXIGFPNVYJCQ-KRWDZBQOSA-N -1 0 342.351 2.485 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000565033802 319141415 /nfs/dbraw/zinc/14/14/15/319141415.db2.gz CCDAIZUOSCSBAB-CYBMUJFWSA-N -1 0 343.339 2.136 20 5 EEBDRM O=C([O-])c1cc(N2CCCN(c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000566680849 319311386 /nfs/dbraw/zinc/31/13/86/319311386.db2.gz BLFDXRZRGDHIBO-UHFFFAOYSA-N -1 0 348.384 2.466 20 5 EEBDRM COCC[C@H](Cc1ccco1)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567984736 319441687 /nfs/dbraw/zinc/44/16/87/319441687.db2.gz ADVZNFYLECOVJH-SNVBAGLBSA-N -1 0 335.316 2.341 20 5 EEBDRM CC(C)(C)[C@@H](CCO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000571286139 319741949 /nfs/dbraw/zinc/74/19/49/319741949.db2.gz MLBHCXYETKTZGN-LLVKDONJSA-N -1 0 330.768 2.481 20 5 EEBDRM CCCC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000574914373 320070926 /nfs/dbraw/zinc/07/09/26/320070926.db2.gz LXVDUIYMNBUXKU-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000575045789 320082510 /nfs/dbraw/zinc/08/25/10/320082510.db2.gz QUDDOUZVACHJQN-RYUDHWBXSA-N -1 0 335.360 2.027 20 5 EEBDRM CCCOc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000575992158 320132094 /nfs/dbraw/zinc/13/20/94/320132094.db2.gz SHUHFFOCQJCYIQ-UHFFFAOYSA-N -1 0 332.316 2.484 20 5 EEBDRM CCN(C1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000580441244 324064397 /nfs/dbraw/zinc/06/43/97/324064397.db2.gz KZFLCDUEQJAZJX-UHFFFAOYSA-N -1 0 342.373 2.246 20 5 EEBDRM CO[C@H](C)c1nc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cs1 ZINC000582124565 324385918 /nfs/dbraw/zinc/38/59/18/324385918.db2.gz KEVVVNZWJIQJGL-SSDOTTSWSA-N -1 0 338.345 2.464 20 5 EEBDRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000328306765 465059202 /nfs/dbraw/zinc/05/92/02/465059202.db2.gz NTLMLPGUHRXMIT-INIZCTEOSA-N -1 0 340.335 2.175 20 5 EEBDRM CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000336870606 465063053 /nfs/dbraw/zinc/06/30/53/465063053.db2.gz AQQZZOXDCSVKGS-UHFFFAOYSA-N -1 0 336.325 2.118 20 5 EEBDRM CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000358561784 465193970 /nfs/dbraw/zinc/19/39/70/465193970.db2.gz SXTYGKOPJKMPRI-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(O)c1F ZINC000535053624 468294841 /nfs/dbraw/zinc/29/48/41/468294841.db2.gz GAGSIUJETRGSSH-UHFFFAOYSA-N -1 0 342.304 2.254 20 5 EEBDRM COC(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000060685415 462563465 /nfs/dbraw/zinc/56/34/65/462563465.db2.gz VIBHTQBLINMDGN-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000091021972 462820619 /nfs/dbraw/zinc/82/06/19/462820619.db2.gz SFZWKQIVCQNUOJ-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM CCCC(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000092546864 462962077 /nfs/dbraw/zinc/96/20/77/462962077.db2.gz PHSHGIQDTKQQTC-UHFFFAOYSA-N -1 0 335.360 2.278 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000078245842 463093465 /nfs/dbraw/zinc/09/34/65/463093465.db2.gz DVPOWUBOMJNMIZ-AQXOFRPNSA-N -1 0 340.401 2.110 20 5 EEBDRM CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000157882719 463180693 /nfs/dbraw/zinc/18/06/93/463180693.db2.gz SQAJOTZQJNPRTB-ZYHUDNBSSA-N -1 0 348.808 2.484 20 5 EEBDRM O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159421058 463286102 /nfs/dbraw/zinc/28/61/02/463286102.db2.gz GSPJAYHGQRHFCW-ZIAGYGMSSA-N -1 0 330.344 2.411 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1 ZINC000122982527 463306837 /nfs/dbraw/zinc/30/68/37/463306837.db2.gz HALXHSBORJEHHB-UHFFFAOYSA-N -1 0 349.368 2.057 20 5 EEBDRM CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164471695 463623860 /nfs/dbraw/zinc/62/38/60/463623860.db2.gz DLSGEFUBDNBJKN-LBPRGKRZSA-N -1 0 349.387 2.069 20 5 EEBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](CC)C(=O)OCC ZINC000276933916 463811143 /nfs/dbraw/zinc/81/11/43/463811143.db2.gz RBYUKESDWVGXDD-LBPRGKRZSA-N -1 0 338.360 2.494 20 5 EEBDRM CCCCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000194806887 463932293 /nfs/dbraw/zinc/93/22/93/463932293.db2.gz USEWJTDXIUEKMU-UHFFFAOYSA-N -1 0 340.361 2.430 20 5 EEBDRM O=C([O-])C1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000263570287 464131048 /nfs/dbraw/zinc/13/10/48/464131048.db2.gz IAHXYWFFPPEQKH-UHFFFAOYSA-N -1 0 344.726 2.253 20 5 EEBDRM CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)[O-] ZINC000237048666 464256142 /nfs/dbraw/zinc/25/61/42/464256142.db2.gz RYSIYVHANVKHJD-ZDUSSCGKSA-N -1 0 335.360 2.178 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)cc1[N+](=O)[O-] ZINC000281201526 464368629 /nfs/dbraw/zinc/36/86/29/464368629.db2.gz SCJXSSWBXPNPFY-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM C[C@@](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)(C(=O)[O-])C1CC1 ZINC000237728088 464370387 /nfs/dbraw/zinc/37/03/87/464370387.db2.gz SIKYSJCZHGFLTR-KRWDZBQOSA-N -1 0 347.371 2.178 20 5 EEBDRM COCCNc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000182143941 464582971 /nfs/dbraw/zinc/58/29/71/464582971.db2.gz OMXAGTMEDSFEGO-UHFFFAOYSA-N -1 0 345.355 2.289 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncnn1C(C)(C)C ZINC000282374386 464793503 /nfs/dbraw/zinc/79/35/03/464793503.db2.gz VTEZCZIGAWMXJP-UHFFFAOYSA-N -1 0 339.377 2.051 20 5 EEBDRM CC(C)(C(=O)[N-]OC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000276467072 464943628 /nfs/dbraw/zinc/94/36/28/464943628.db2.gz YENQPFABGCACEE-JTQLQIEISA-N -1 0 326.324 2.096 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCCC(=O)[O-])cc1C ZINC000299042059 465573127 /nfs/dbraw/zinc/57/31/27/465573127.db2.gz JUORNDJMMAAOLD-UHFFFAOYSA-N -1 0 344.389 2.135 20 5 EEBDRM CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000579956165 468441334 /nfs/dbraw/zinc/44/13/34/468441334.db2.gz DFQMEIWDVBOACR-UHFFFAOYSA-N -1 0 333.348 2.345 20 5 EEBDRM CCc1ccc(C(=O)N=c2nc([C@H](C)OC)[n-]s2)cc1[N+](=O)[O-] ZINC000338016277 465751888 /nfs/dbraw/zinc/75/18/88/465751888.db2.gz OUQYZKHGFOXWNJ-QMMMGPOBSA-N -1 0 336.373 2.390 20 5 EEBDRM O=C([O-])[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 ZINC000580052278 468458393 /nfs/dbraw/zinc/45/83/93/468458393.db2.gz AUZUILYVNZLBRD-LBPRGKRZSA-N -1 0 335.341 2.008 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cncc(OC)c1 ZINC000357329191 465952764 /nfs/dbraw/zinc/95/27/64/465952764.db2.gz BKVTZHACFTYJSZ-UHFFFAOYSA-N -1 0 337.357 2.362 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(F)F)n1 ZINC000362004492 466475625 /nfs/dbraw/zinc/47/56/25/466475625.db2.gz YWRKLCZNIRNPCY-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM CC(C)Oc1nc(N[C@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000581954365 468500929 /nfs/dbraw/zinc/50/09/29/468500929.db2.gz UWNFQOZTDMQIBB-CYBMUJFWSA-N -1 0 345.355 2.885 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC(COc2ccccc2)C1 ZINC000368368237 466610435 /nfs/dbraw/zinc/61/04/35/466610435.db2.gz AJDGSJJLACJVTE-UHFFFAOYSA-N -1 0 328.324 2.451 20 5 EEBDRM CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000431211613 467501983 /nfs/dbraw/zinc/50/19/83/467501983.db2.gz YPUKXGQHJVMOKQ-UHFFFAOYSA-N -1 0 344.389 2.316 20 5 EEBDRM C[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000520230310 468236215 /nfs/dbraw/zinc/23/62/15/468236215.db2.gz KNZCOSLIQIFHJA-PELKAZGASA-N -1 0 325.296 2.308 20 5 EEBDRM CO[C@H](CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1)C1CCCC1 ZINC000594723384 468664110 /nfs/dbraw/zinc/66/41/10/468664110.db2.gz NQGRCCFEKUORDB-CYBMUJFWSA-N -1 0 343.405 2.245 20 5 EEBDRM CC(C)c1cc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)on1 ZINC000600875753 468672765 /nfs/dbraw/zinc/67/27/65/468672765.db2.gz MSDBUHOJTHNPRI-INIZCTEOSA-N -1 0 347.327 2.436 20 5 EEBDRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000595252263 468793760 /nfs/dbraw/zinc/79/37/60/468793760.db2.gz WHNYAKJCGBUDOB-BBRMVZONSA-N -1 0 335.360 2.156 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000584234411 468826069 /nfs/dbraw/zinc/82/60/69/468826069.db2.gz BDRSCULDPOSNGR-UHFFFAOYSA-N -1 0 334.376 2.143 20 5 EEBDRM Cc1ccc(NCCCNc2cncc(C(=O)[O-])n2)c([N+](=O)[O-])c1 ZINC000592976496 468831903 /nfs/dbraw/zinc/83/19/03/468831903.db2.gz UIZGEZASYHUJTA-UHFFFAOYSA-N -1 0 331.332 2.306 20 5 EEBDRM Cn1cc([C@H]2OCCC[C@@H]2Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1 ZINC000592979025 468833019 /nfs/dbraw/zinc/83/30/19/468833019.db2.gz ATFNMRXRKUJADU-DZGCQCFKSA-N -1 0 346.343 2.359 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]1(C)CO ZINC000598444540 468867569 /nfs/dbraw/zinc/86/75/69/468867569.db2.gz BCHPWFAILNMYAN-RMLUDKJBSA-N -1 0 328.752 2.044 20 5 EEBDRM O=C(NC[C@@H]1CCN1Cc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598508366 468893026 /nfs/dbraw/zinc/89/30/26/468893026.db2.gz HCBCKFFCODBRQL-HNNXBMFYSA-N -1 0 341.367 2.305 20 5 EEBDRM O=C([N-]c1cnoc1)c1ccc(C(=O)Nc2cnoc2)cc1[N+](=O)[O-] ZINC000618821845 469451748 /nfs/dbraw/zinc/45/17/48/469451748.db2.gz HRWHDDNQTHQVSJ-UHFFFAOYSA-N -1 0 343.255 2.075 20 5 EEBDRM O=C(N[C@H]1COc2cc(F)cc(F)c21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000612386751 469452615 /nfs/dbraw/zinc/45/26/15/469452615.db2.gz YUXOSDGLJZGQPB-NSHDSACASA-N -1 0 336.250 2.442 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000612554964 469495993 /nfs/dbraw/zinc/49/59/93/469495993.db2.gz WIXYOUOTNGDLBO-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM Cn1nc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc21 ZINC000612773263 469546662 /nfs/dbraw/zinc/54/66/62/469546662.db2.gz WQRZQHJOXDJGEK-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM CN(CC(=O)N(C)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613890218 469811423 /nfs/dbraw/zinc/81/14/23/469811423.db2.gz CTCBJIWLJVQTSK-UHFFFAOYSA-N -1 0 349.387 2.164 20 5 EEBDRM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000160004388 534039296 /nfs/dbraw/zinc/03/92/96/534039296.db2.gz AEWSCIWFTCIYBS-LBPRGKRZSA-N -1 0 341.367 2.481 20 5 EEBDRM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356615710 534927181 /nfs/dbraw/zinc/92/71/81/534927181.db2.gz DOPNEKGUQKPQEW-ZDUSSCGKSA-N -1 0 336.344 2.247 20 5 EEBDRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000262940722 535287044 /nfs/dbraw/zinc/28/70/44/535287044.db2.gz PUCNTLJZLOOIEB-KRWDZBQOSA-N -1 0 349.387 2.356 20 5 EEBDRM Cc1cc(C(=O)OCc2noc(CCCC(=O)[O-])n2)ccc1[N+](=O)[O-] ZINC000738350551 578010441 /nfs/dbraw/zinc/01/04/41/578010441.db2.gz FNYBZLHZBZBZLR-UHFFFAOYSA-N -1 0 349.299 2.051 20 5 EEBDRM COc1ccc(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000737985493 576022896 /nfs/dbraw/zinc/02/28/96/576022896.db2.gz YAUYQGLCBLOSQG-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM COc1cccc(CCCn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)c1 ZINC000738097970 576497270 /nfs/dbraw/zinc/49/72/70/576497270.db2.gz VIMKMKJFDFOEAU-UHFFFAOYSA-N -1 0 332.312 2.096 20 5 EEBDRM O=C([O-])CCSCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000739743402 576745716 /nfs/dbraw/zinc/74/57/16/576745716.db2.gz GUTZCHABFOCBGW-UHFFFAOYSA-N -1 0 337.357 2.014 20 5 EEBDRM O=C(COC(=O)c1ccc([N+](=O)[O-])c(F)c1)[N-]OCc1ccccc1 ZINC000731517067 577105200 /nfs/dbraw/zinc/10/52/00/577105200.db2.gz NRWZXSHGADUCNN-UHFFFAOYSA-N -1 0 348.286 2.139 20 5 EEBDRM CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000774287085 577393560 /nfs/dbraw/zinc/39/35/60/577393560.db2.gz DJRGDECOABCVPA-SECBINFHSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1c(COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000759127599 577637581 /nfs/dbraw/zinc/63/75/81/577637581.db2.gz DHDCPFPKCBOMCY-UHFFFAOYSA-N -1 0 348.277 2.404 20 5 EEBDRM O=C([O-])CCCOC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000738581422 578020063 /nfs/dbraw/zinc/02/00/63/578020063.db2.gz MJTUSXSGFNGICS-UHFFFAOYSA-N -1 0 332.106 2.379 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@H](O)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000738694594 578024039 /nfs/dbraw/zinc/02/40/39/578024039.db2.gz QGSYBQAXBZJHEA-LLVKDONJSA-N -1 0 337.719 2.487 20 5 EEBDRM NC(=O)c1cnc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(Cl)c1 ZINC000739183179 578042986 /nfs/dbraw/zinc/04/29/86/578042986.db2.gz CFXOVMQPCABWRO-UHFFFAOYSA-N -1 0 337.675 2.233 20 5 EEBDRM Nc1nc(NCc2c3ccccc3sc2C(=O)[O-])ncc1[N+](=O)[O-] ZINC000739203879 578043834 /nfs/dbraw/zinc/04/38/34/578043834.db2.gz SWQFXWAOUNICJM-UHFFFAOYSA-N -1 0 345.340 2.492 20 5 EEBDRM Nc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000739204915 578043863 /nfs/dbraw/zinc/04/38/63/578043863.db2.gz PTWFCDSDCVZUCN-NSHDSACASA-N -1 0 341.323 2.396 20 5 EEBDRM O=C([O-])[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000739615562 578061013 /nfs/dbraw/zinc/06/10/13/578061013.db2.gz KHHYUGZTHQEQSP-INIZCTEOSA-N -1 0 344.323 2.326 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCOC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000739625300 578061386 /nfs/dbraw/zinc/06/13/86/578061386.db2.gz OLEQCZBNGVYJAW-AGLBCWCQSA-N -1 0 336.344 2.300 20 5 EEBDRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)Cn1nccc1[N+](=O)[O-] ZINC000739720356 578065510 /nfs/dbraw/zinc/06/55/10/578065510.db2.gz SZVVDBVLKKFVLW-UHFFFAOYSA-N -1 0 340.286 2.004 20 5 EEBDRM O=C([O-])Cc1ccccc1OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000739891437 578071861 /nfs/dbraw/zinc/07/18/61/578071861.db2.gz GJHPVKYHMMYRJB-UHFFFAOYSA-N -1 0 331.280 2.206 20 5 EEBDRM O=C([O-])Cn1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000739919838 578073413 /nfs/dbraw/zinc/07/34/13/578073413.db2.gz MZFCLGDHCZXCGC-UHFFFAOYSA-N -1 0 339.695 2.173 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@H]2COc3ccccc3O2)cc([N+](=O)[O-])c1 ZINC000740082064 578080148 /nfs/dbraw/zinc/08/01/48/578080148.db2.gz UKJUTQFTZBGCAL-CQSZACIVSA-N -1 0 344.279 2.072 20 5 EEBDRM O=C([O-])c1ccc(OCc2cn(-c3ccccc3)nn2)c([N+](=O)[O-])c1 ZINC000740168804 578083688 /nfs/dbraw/zinc/08/36/88/578083688.db2.gz XCZYCYRUARLLIB-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1coc(C(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000740258371 578087911 /nfs/dbraw/zinc/08/79/11/578087911.db2.gz UETZPFPKUFQZNA-UHFFFAOYSA-N -1 0 337.215 2.065 20 5 EEBDRM O=C([O-])c1coc(C(=O)COC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000740259285 578087944 /nfs/dbraw/zinc/08/79/44/578087944.db2.gz XXGXKUSDUFJDDL-UHFFFAOYSA-N -1 0 337.215 2.065 20 5 EEBDRM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736219138 578187912 /nfs/dbraw/zinc/18/79/12/578187912.db2.gz WUEWOAFXRKHSMC-RISCZKNCSA-N -1 0 347.371 2.109 20 5 EEBDRM CC(C)N(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000736455448 578204743 /nfs/dbraw/zinc/20/47/43/578204743.db2.gz QPIFVTIRLDSWAH-UHFFFAOYSA-N -1 0 336.344 2.323 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)CN(C)C(=O)[O-] ZINC000736493833 578207675 /nfs/dbraw/zinc/20/76/75/578207675.db2.gz BSJJUNIKBKEFHD-UHFFFAOYSA-N -1 0 326.305 2.035 20 5 EEBDRM C[C@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])Cn1cccn1 ZINC000736606525 578214551 /nfs/dbraw/zinc/21/45/51/578214551.db2.gz GTJGIZCUMJDRQM-SECBINFHSA-N -1 0 349.303 2.146 20 5 EEBDRM CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000737325954 578250547 /nfs/dbraw/zinc/25/05/47/578250547.db2.gz QTELETSSEBLHEB-INIZCTEOSA-N -1 0 328.324 2.422 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000821509039 597717463 /nfs/dbraw/zinc/71/74/63/597717463.db2.gz MASVGLXCVUHXAL-VIFPVBQESA-N -1 0 344.270 2.276 20 5 EEBDRM C[C@@H](CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000237431965 599918975 /nfs/dbraw/zinc/91/89/75/599918975.db2.gz SKLDRYJHCKLPNG-NSHDSACASA-N -1 0 335.360 2.109 20 5 EEBDRM CN(CC(=O)OCc1ccoc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000830701820 600726218 /nfs/dbraw/zinc/72/62/18/600726218.db2.gz FVWQMUXCRSCPBG-UHFFFAOYSA-N -1 0 334.284 2.066 20 5 EEBDRM Cc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000832862746 600780785 /nfs/dbraw/zinc/78/07/85/600780785.db2.gz GCMZSYKJKJWCRU-ZDUSSCGKSA-N -1 0 343.339 2.084 20 5 EEBDRM CN(Cc1nccs1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000830883640 600987343 /nfs/dbraw/zinc/98/73/43/600987343.db2.gz QWNGIINYSDPPPT-UHFFFAOYSA-N -1 0 338.301 2.294 20 5 EEBDRM Cc1ccc([C@H](C)NC(=S)NCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000832921832 601368079 /nfs/dbraw/zinc/36/80/79/601368079.db2.gz XJIVZLWLNNKKSZ-JTQLQIEISA-N -1 0 325.390 2.293 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000833176761 601371131 /nfs/dbraw/zinc/37/11/31/601371131.db2.gz WAIMYSRKZDRKKY-ZDUSSCGKSA-N -1 0 341.320 2.328 20 5 EEBDRM O=C([O-])C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000091294948 601381938 /nfs/dbraw/zinc/38/19/38/601381938.db2.gz ZRPQKHGEMYQWFV-VIFPVBQESA-N -1 0 345.149 2.037 20 5 EEBDRM CC(C)n1ccnc1COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827192529 601428936 /nfs/dbraw/zinc/42/89/36/601428936.db2.gz CJTOVRYZOVGWOR-UHFFFAOYSA-N -1 0 333.300 2.427 20 5 EEBDRM C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000828354824 601665304 /nfs/dbraw/zinc/66/53/04/601665304.db2.gz QFSXKJUGLKGEPS-IUODEOHRSA-N -1 0 349.387 2.280 20 5 EEBDRM C[C@@H](Cc1cccc(O)c1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827593058 604358567 /nfs/dbraw/zinc/35/85/67/604358567.db2.gz ZLLQKGWEKYUYPH-JTQLQIEISA-N -1 0 344.323 2.360 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1cccc(C)c1[N+](=O)[O-] ZINC000833753454 604530364 /nfs/dbraw/zinc/53/03/64/604530364.db2.gz NNECLRNQUQMMED-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM CCOc1cc(N(CCC(=O)[O-])C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000833661049 604833028 /nfs/dbraw/zinc/83/30/28/604833028.db2.gz ZNKZWRBYRWOVET-ZDUSSCGKSA-N -1 0 338.360 2.454 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1COC(=O)c1cnccc1C(=O)[O-] ZINC000832481758 604870415 /nfs/dbraw/zinc/87/04/15/604870415.db2.gz PROJAGRPKMYUAE-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM CC(C)C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C(C)C ZINC000833468459 605398487 /nfs/dbraw/zinc/39/84/87/605398487.db2.gz CUPXFWONAYWRSB-UHFFFAOYSA-N -1 0 344.389 2.252 20 5 EEBDRM C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000833525659 605420849 /nfs/dbraw/zinc/42/08/49/605420849.db2.gz QSQYCBFUMCQQQH-STUBTGCMSA-N -1 0 343.343 2.403 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000833424413 605505897 /nfs/dbraw/zinc/50/58/97/605505897.db2.gz USNAYVWHKOMBLG-SNVBAGLBSA-N -1 0 346.286 2.425 20 5 EEBDRM CC(C)Cn1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000120270921 674845023 /nfs/dbraw/zinc/84/50/23/674845023.db2.gz IKUAYPMNHCVGBQ-UHFFFAOYSA-N -1 0 330.391 2.310 20 5 EEBDRM O=C(NCc1ccc(-n2ccnc2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179493066 679834822 /nfs/dbraw/zinc/83/48/22/679834822.db2.gz YCKWGXYZIZIXEL-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)oc1C ZINC000128567075 693846590 /nfs/dbraw/zinc/84/65/90/693846590.db2.gz PXELLJLCYBRDKH-UHFFFAOYSA-N -1 0 338.341 2.064 20 5 EEBDRM Cc1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000346456794 693897783 /nfs/dbraw/zinc/89/77/83/693897783.db2.gz BBRNATRJMLUXST-UHFFFAOYSA-N -1 0 327.387 2.344 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000262755680 688352477 /nfs/dbraw/zinc/35/24/77/688352477.db2.gz DGAAJDQTCXXGAR-NSHDSACASA-N -1 0 333.344 2.261 20 5 EEBDRM O=C([N-]n1cnc2ccccc2c1=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078227536 689761014 /nfs/dbraw/zinc/76/10/14/689761014.db2.gz POPSCVSZKSJJEL-UHFFFAOYSA-N -1 0 344.714 2.342 20 5 EEBDRM CCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000263437288 689846645 /nfs/dbraw/zinc/84/66/45/689846645.db2.gz VURKAOJLDPCHDO-UHFFFAOYSA-N -1 0 335.360 2.132 20 5 EEBDRM CSCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000810588068 1199610056 /nfs/dbraw/zinc/61/00/56/1199610056.db2.gz NHCDUDFROXOQOF-UHFFFAOYSA-N -1 0 346.430 2.097 20 5 EEBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000778829730 1208367236 /nfs/dbraw/zinc/36/72/36/1208367236.db2.gz NTYIFHFBRRRJSD-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](O)c1ccc(F)cc1 ZINC000119284175 1229482454 /nfs/dbraw/zinc/48/24/54/1229482454.db2.gz UABSSJDAQIWZJY-PSLIRLAXSA-N -1 0 334.303 2.291 20 5 EEBDRM COc1cc(OC)c(-c2noc(-c3c([O-])cccc3[N+](=O)[O-])n2)cn1 ZINC001216847172 1297311508 /nfs/dbraw/zinc/31/15/08/1297311508.db2.gz STLPUFWDNBCHFS-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM CCCCOC(=O)[C@H](C)Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243168 1302171658 /nfs/dbraw/zinc/17/16/58/1302171658.db2.gz WDFJAEICHHUPJL-VIFPVBQESA-N -1 0 335.316 2.354 20 5 EEBDRM COC(=O)[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228603015 1302331880 /nfs/dbraw/zinc/33/18/80/1302331880.db2.gz HXMOJGIQAYOCTK-LBPRGKRZSA-N -1 0 345.311 2.261 20 5 EEBDRM COC(=O)[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC001228971982 1302552951 /nfs/dbraw/zinc/55/29/51/1302552951.db2.gz TZCRRUAZSKJVBH-AWEZNQCLSA-N -1 0 337.259 2.438 20 5 EEBDRM O=[N+]([O-])c1c([O-])cc(O)cc1OC[C@@H]1CC[C@]2(CCCCO2)O1 ZINC001228972522 1302553020 /nfs/dbraw/zinc/55/30/20/1302553020.db2.gz XLQWJUPCQQIIQI-NHYWBVRUSA-N -1 0 325.317 2.461 20 5 EEBDRM CC/C=C\CCOC(=O)[C@H](C)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231072500 1303611474 /nfs/dbraw/zinc/61/14/74/1303611474.db2.gz VYEPGMYPQZJLBP-LGYSABEFSA-N -1 0 345.739 2.411 20 5 EEBDRM CCN(CCSC)c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001121299517 1309973252 /nfs/dbraw/zinc/97/32/52/1309973252.db2.gz ONAULRWEWUYHBC-UHFFFAOYSA-N -1 0 337.405 2.285 20 5 EEBDRM CC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000835027899 1314894517 /nfs/dbraw/zinc/89/45/17/1314894517.db2.gz HBMRUBAFNUSFGW-QWRGUYRKSA-N -1 0 326.374 2.226 20 5 EEBDRM CCOC(=O)C1(CC(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000837661339 1315101152 /nfs/dbraw/zinc/10/11/52/1315101152.db2.gz CEKXXTUHHYSXLR-UHFFFAOYSA-N -1 0 337.328 2.467 20 5 EEBDRM CCc1nc(NC(=O)c2c(N)cccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC001605854510 1351237207 /nfs/dbraw/zinc/23/72/07/1351237207.db2.gz AUDQRJLIDYKQFG-UHFFFAOYSA-N -1 0 336.329 2.146 20 5 EEBDRM Cc1cc(OC[C@@H](O)COc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001607703260 1351542860 /nfs/dbraw/zinc/54/28/60/1351542860.db2.gz UBXZQEJFUWEJTK-ZDUSSCGKSA-N -1 0 347.323 2.420 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC001608354858 1351677134 /nfs/dbraw/zinc/67/71/34/1351677134.db2.gz SMYOAJUHBWYULB-UHFFFAOYSA-N -1 0 336.325 2.295 20 5 EEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001608598620 1351723429 /nfs/dbraw/zinc/72/34/29/1351723429.db2.gz BUSNKCGHIIXSGU-VPJDZLOFSA-N -1 0 343.339 2.401 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@H]2c3ccccc3C[C@H]2O)c([N+](=O)[O-])c1 ZINC001608781514 1351762294 /nfs/dbraw/zinc/76/22/94/1351762294.db2.gz HREKZDQCOCSABY-WBVHZDCISA-N -1 0 328.324 2.292 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CC(=O)c2sccc2Cl)c1 ZINC001608863185 1351780726 /nfs/dbraw/zinc/78/07/26/1351780726.db2.gz QYQRCEWIQNKLFL-UHFFFAOYSA-N -1 0 342.716 2.053 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC001324849217 1333772745 /nfs/dbraw/zinc/77/27/45/1333772745.db2.gz PLRLTLNKLCKURW-IJLUTSLNSA-N -1 0 340.401 2.472 20 5 EEBDRM C/C(=C/C(=O)OCc1cc(C(=O)[O-])no1)c1ccc([N+](=O)[O-])cc1 ZINC001609497613 1351999407 /nfs/dbraw/zinc/99/94/07/1351999407.db2.gz HTJDTHCCAVKOQV-TWGQIWQCSA-N -1 0 332.268 2.428 20 5 EEBDRM CC(C)(C(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001609647438 1352049681 /nfs/dbraw/zinc/04/96/81/1352049681.db2.gz LGGQFUZNAGTLCI-JTQLQIEISA-N -1 0 338.335 2.477 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC001609712422 1352065916 /nfs/dbraw/zinc/06/59/16/1352065916.db2.gz FAHAREUDBHYVFY-INIZCTEOSA-N -1 0 336.344 2.365 20 5 EEBDRM C[C@H](CC(F)(F)F)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001609737373 1352072921 /nfs/dbraw/zinc/07/29/21/1352072921.db2.gz VWKMXGOEUKRDMV-SSDOTTSWSA-N -1 0 349.265 2.162 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])c(OC)c1 ZINC001339437794 1337004716 /nfs/dbraw/zinc/00/47/16/1337004716.db2.gz KFBCHISKDQPFPD-UHFFFAOYSA-N -1 0 344.370 2.474 20 5 EEBDRM CCC(CC)(NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001609915903 1352119195 /nfs/dbraw/zinc/11/91/95/1352119195.db2.gz IWJXQRNKCYIVAB-UHFFFAOYSA-N -1 0 328.296 2.116 20 5 EEBDRM COc1ccc(Cn2nc(C(=O)[O-])c3c2CCCC3)cc1[N+](=O)[O-] ZINC001610338021 1352207516 /nfs/dbraw/zinc/20/75/16/1352207516.db2.gz LPUKINJRWALSJV-UHFFFAOYSA-N -1 0 331.328 2.425 20 5 EEBDRM COc1cccc(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001610352736 1352209249 /nfs/dbraw/zinc/20/92/49/1352209249.db2.gz PBHRAXSZTFKESQ-CQSZACIVSA-N -1 0 345.307 2.456 20 5 EEBDRM Cc1cc(C(=O)NCc2ccccc2CC(=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC001610436442 1352222243 /nfs/dbraw/zinc/22/22/43/1352222243.db2.gz MHNUVZZLJFCLEZ-UHFFFAOYSA-N -1 0 343.339 2.043 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCc1ocnc1C(=O)[O-] ZINC001610452178 1352224437 /nfs/dbraw/zinc/22/44/37/1352224437.db2.gz CNIBENLEUDQTEO-UHFFFAOYSA-N -1 0 333.300 2.469 20 5 EEBDRM Cc1nn(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC001610572403 1352247231 /nfs/dbraw/zinc/24/72/31/1352247231.db2.gz YMGNMJDVTKWZAA-UHFFFAOYSA-N -1 0 338.345 2.115 20 5 EEBDRM Cn1c(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])nnc1C1CCC1 ZINC001610598508 1352251725 /nfs/dbraw/zinc/25/17/25/1352251725.db2.gz WZVUXIYGNRAKHK-UHFFFAOYSA-N -1 0 332.316 2.268 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001610792626 1352275396 /nfs/dbraw/zinc/27/53/96/1352275396.db2.gz UHMVIRGCXQECLT-AWEZNQCLSA-N -1 0 330.340 2.237 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](O)C1CCOCC1 ZINC001610817322 1352279876 /nfs/dbraw/zinc/27/98/76/1352279876.db2.gz FRQSUICFBQFTJD-GFCCVEGCSA-N -1 0 344.751 2.146 20 5 EEBDRM O=C([O-])c1cccc(OC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC001610849590 1352285266 /nfs/dbraw/zinc/28/52/66/1352285266.db2.gz SHAQWLNXNAZQMO-CYBMUJFWSA-N -1 0 333.296 2.112 20 5 EEBDRM O=C([O-])c1cnc(NCCc2ccc3c[nH]nc3c2)c([N+](=O)[O-])c1 ZINC001610864035 1352287361 /nfs/dbraw/zinc/28/73/61/1352287361.db2.gz XGLZSRAHPNNYBN-UHFFFAOYSA-N -1 0 327.300 2.219 20 5 EEBDRM Cc1c(NC(=O)NCCCn2ccnc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600042671 1349960586 /nfs/dbraw/zinc/96/05/86/1349960586.db2.gz HADGNQYOOPYVMR-UHFFFAOYSA-N -1 0 347.331 2.010 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001600165091 1349983924 /nfs/dbraw/zinc/98/39/24/1349983924.db2.gz PQMMRCTUEFXENH-KWQFWETISA-N -1 0 343.286 2.299 20 5 EEBDRM Cc1cc(CO)oc1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600213560 1349994525 /nfs/dbraw/zinc/99/45/25/1349994525.db2.gz RMTHXAWYJHKZNQ-UHFFFAOYSA-N -1 0 335.268 2.044 20 5 EEBDRM Cc1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC001600378189 1350034525 /nfs/dbraw/zinc/03/45/25/1350034525.db2.gz WZMSHJSDPDWAAY-GFCCVEGCSA-N -1 0 343.339 2.084 20 5 EEBDRM Cc1ccc(OC[C@H](O)COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001600468902 1350059257 /nfs/dbraw/zinc/05/92/57/1350059257.db2.gz UULSHFURSQJBLF-LBPRGKRZSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001600720717 1350120683 /nfs/dbraw/zinc/12/06/83/1350120683.db2.gz VRBCGHYSACVJDH-SNVBAGLBSA-N -1 0 346.343 2.317 20 5 EEBDRM Cn1cnc([N+](=O)[O-])c1NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001600991275 1350184444 /nfs/dbraw/zinc/18/44/44/1350184444.db2.gz ZBWAGECXAYUTGH-UHFFFAOYSA-N -1 0 330.300 2.427 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)s1 ZINC001601343141 1350262208 /nfs/dbraw/zinc/26/22/08/1350262208.db2.gz ZRBAIIDKSJAZGD-UHFFFAOYSA-N -1 0 336.325 2.050 20 5 EEBDRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001601408282 1350277462 /nfs/dbraw/zinc/27/74/62/1350277462.db2.gz FNZDROYYYPHXRU-GZMMTYOYSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001601408762 1350277843 /nfs/dbraw/zinc/27/78/43/1350277843.db2.gz KNNGMPFQZRSXBZ-RYUDHWBXSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@@]1(CNc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC001601709657 1350344934 /nfs/dbraw/zinc/34/49/34/1350344934.db2.gz IGUOSRUSTTZWOE-GFCCVEGCSA-N -1 0 345.149 2.261 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](Nc3ccnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC001601864739 1350384894 /nfs/dbraw/zinc/38/48/94/1350384894.db2.gz UTTMPBRGXAGTLE-HDINQQKLSA-N -1 0 327.340 2.476 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 ZINC001601881853 1350389443 /nfs/dbraw/zinc/38/94/43/1350389443.db2.gz FOEYBAZFYQVPIT-ALCCZGGFSA-N -1 0 333.344 2.117 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@@H]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001601882613 1350389825 /nfs/dbraw/zinc/38/98/25/1350389825.db2.gz KDZJTFXQDIOUBZ-DTRQGZQOSA-N -1 0 334.328 2.400 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC001601976040 1350409042 /nfs/dbraw/zinc/40/90/42/1350409042.db2.gz CYMFXWHPDZVFGG-ZDUSSCGKSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC12CC2 ZINC001602030691 1350422203 /nfs/dbraw/zinc/42/22/03/1350422203.db2.gz ANARIFAJHUKFCM-GFCCVEGCSA-N -1 0 336.369 2.444 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001602073157 1350431020 /nfs/dbraw/zinc/43/10/20/1350431020.db2.gz XMHUFQZEGWXYHU-CYBMUJFWSA-N -1 0 347.371 2.036 20 5 EEBDRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001602172062 1350457291 /nfs/dbraw/zinc/45/72/91/1350457291.db2.gz GHPHELKZJNDQBO-NSHDSACASA-N -1 0 339.254 2.011 20 5 EEBDRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001602209995 1350466925 /nfs/dbraw/zinc/46/69/25/1350466925.db2.gz QOONAIURXYGROL-IJLUTSLNSA-N -1 0 340.282 2.019 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@H](c3ccncc3)C2)cc([N+](=O)[O-])c1 ZINC001602242455 1350474669 /nfs/dbraw/zinc/47/46/69/1350474669.db2.gz KNVSNQIGKHLEND-LBPRGKRZSA-N -1 0 341.323 2.318 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)on1 ZINC001602250387 1350476512 /nfs/dbraw/zinc/47/65/12/1350476512.db2.gz GBCGVBTVTLOOHW-UHFFFAOYSA-N -1 0 326.648 2.291 20 5 EEBDRM O=C([O-])c1cc(C2CN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)[nH]n1 ZINC001602254858 1350478731 /nfs/dbraw/zinc/47/87/31/1350478731.db2.gz UJQWPWLSGZFAOU-UHFFFAOYSA-N -1 0 336.735 2.269 20 5 EEBDRM O=C([O-])c1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001602315583 1350492065 /nfs/dbraw/zinc/49/20/65/1350492065.db2.gz BBPQFQAACVZGPB-UHFFFAOYSA-N -1 0 335.293 2.394 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCOC[C@H]2C(F)(F)F)c1 ZINC001602403265 1350511504 /nfs/dbraw/zinc/51/15/04/1350511504.db2.gz DEWYHTWGXRMOLA-NSHDSACASA-N -1 0 334.250 2.056 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC001602538829 1350541671 /nfs/dbraw/zinc/54/16/71/1350541671.db2.gz DXUULAFCMRRWBG-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM CC(C)(C)OC(=O)NCCSc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001603467346 1350709861 /nfs/dbraw/zinc/70/98/61/1350709861.db2.gz HOHCGJGOOYHQDS-UHFFFAOYSA-N -1 0 343.361 2.305 20 5 EEBDRM CC(C)(C)OCCNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001603513074 1350715193 /nfs/dbraw/zinc/71/51/93/1350715193.db2.gz WOWKOKSRHCQPRP-UHFFFAOYSA-N -1 0 327.293 2.428 20 5 EEBDRM CC(C)(C)c1nc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)no1 ZINC001603551389 1350718225 /nfs/dbraw/zinc/71/82/25/1350718225.db2.gz LDSMGDIZMLDMOP-MRXNPFEDSA-N -1 0 348.359 2.365 20 5 EEBDRM CC(C)(NC(=O)c1ccc([N+](=O)[O-])s1)c1cc(C(=O)[O-])on1 ZINC001603677439 1350740310 /nfs/dbraw/zinc/74/03/10/1350740310.db2.gz YCONDTRLSDAVOP-UHFFFAOYSA-N -1 0 325.302 2.008 20 5 EEBDRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001603803315 1350771059 /nfs/dbraw/zinc/77/10/59/1350771059.db2.gz WFKMQVCNEIQBPP-JTQLQIEISA-N -1 0 326.324 2.407 20 5 EEBDRM CC(F)(F)CN1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001604251036 1350902618 /nfs/dbraw/zinc/90/26/18/1350902618.db2.gz REJUEAASZTYLRF-UHFFFAOYSA-N -1 0 329.303 2.070 20 5 EEBDRM C[C@@](NC(=O)c1cncc(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604315735 1350913717 /nfs/dbraw/zinc/91/37/17/1350913717.db2.gz GTUKICSUGARIBY-HNNXBMFYSA-N -1 0 349.730 2.373 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)[C@@H](C)CN1C ZINC001604811460 1351012462 /nfs/dbraw/zinc/01/24/62/1351012462.db2.gz FZNNVIBRZJCHOJ-BDAKNGLRSA-N -1 0 327.768 2.475 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC001606830169 1351362976 /nfs/dbraw/zinc/36/29/76/1351362976.db2.gz JAVOOQNPGBBLTM-HNNXBMFYSA-N -1 0 326.324 2.190 20 5 EEBDRM COCCN(C)c1ccc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001606881068 1351369399 /nfs/dbraw/zinc/36/93/99/1351369399.db2.gz XYKNAHOQNTWHTN-UHFFFAOYSA-N -1 0 331.328 2.438 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1CC(=O)[O-] ZINC001607435182 1351494102 /nfs/dbraw/zinc/49/41/02/1351494102.db2.gz ZTVJMCPOTADUJZ-PSASIEDQSA-N -1 0 326.736 2.431 20 5 EEBDRM Cc1c(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)cccc1[N+](=O)[O-] ZINC001607507985 1351507785 /nfs/dbraw/zinc/50/77/85/1351507785.db2.gz LXWCOQDQOGNJEQ-JKGQDXBKSA-N -1 0 348.355 2.045 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2COC3(CCC3)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607543421 1351513635 /nfs/dbraw/zinc/51/36/35/1351513635.db2.gz XXOZIFNCMRXGNU-NSHDSACASA-N -1 0 349.343 2.435 20 5 EEBDRM Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C(=O)[O-])cc1C ZINC001607756081 1351552993 /nfs/dbraw/zinc/55/29/93/1351552993.db2.gz FYRJVZJNLOHJKK-OAHLLOKOSA-N -1 0 343.339 2.350 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC001607826455 1351566354 /nfs/dbraw/zinc/56/63/54/1351566354.db2.gz OFPJOXXKEAGFDJ-QMTHXVAHSA-N -1 0 335.360 2.027 20 5 EEBDRM Cc1nc(C(C)C)ccc1Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O ZINC001607947202 1351590587 /nfs/dbraw/zinc/59/05/87/1351590587.db2.gz ZGDRPMKTACBHBX-UHFFFAOYSA-N -1 0 331.328 2.330 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001608122881 1351629600 /nfs/dbraw/zinc/62/96/00/1351629600.db2.gz YEOOIMUNMNSGRJ-CYBMUJFWSA-N -1 0 337.376 2.334 20 5 EEBDRM Nc1ccc(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001608272675 1351660781 /nfs/dbraw/zinc/66/07/81/1351660781.db2.gz YECQXJNKFJIZLO-CQSZACIVSA-N -1 0 330.296 2.030 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001608367791 1351679872 /nfs/dbraw/zinc/67/98/72/1351679872.db2.gz DXHMPLGLJUPNRQ-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000794607611 1369584944 /nfs/dbraw/zinc/58/49/44/1369584944.db2.gz AYDFVPMNCGTCRW-UHFFFAOYSA-N -1 0 338.316 2.470 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)cs1 ZINC000829967575 1372304147 /nfs/dbraw/zinc/30/41/47/1372304147.db2.gz NQIODRXRZJEGQP-UHFFFAOYSA-N -1 0 325.371 2.341 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000838804803 1372864972 /nfs/dbraw/zinc/86/49/72/1372864972.db2.gz BIEQDLJWOYUHLH-SNVBAGLBSA-N -1 0 326.374 2.144 20 5 EEBDRM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606371849 1404805357 /nfs/dbraw/zinc/80/53/57/1404805357.db2.gz PNAMMBOKQLBTSI-WHOFXGATSA-N -1 0 348.355 2.067 20 5 EEBDRM C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000920327742 770676541 /nfs/dbraw/zinc/67/65/41/770676541.db2.gz KGPFSFPFMCWKPW-SNVBAGLBSA-N -1 0 329.312 2.058 20 5 EEBDRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000816333888 783902919 /nfs/dbraw/zinc/90/29/19/783902919.db2.gz AVTBRANSPLEUHS-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM O=[N+]([O-])c1ccccc1OS(=O)(=O)c1cn[n-]c1C(F)(F)F ZINC000820739985 786457486 /nfs/dbraw/zinc/45/74/86/786457486.db2.gz YVTDDICVCRWNCQ-UHFFFAOYSA-N -1 0 337.235 2.104 20 5 EEBDRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000821116037 786603912 /nfs/dbraw/zinc/60/39/12/786603912.db2.gz HDOHCVWRNQCPOM-LBPRGKRZSA-N -1 0 330.362 2.068 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC000844209452 788928729 /nfs/dbraw/zinc/92/87/29/788928729.db2.gz UDCOTNZDIOHGDU-UHFFFAOYSA-N -1 0 330.344 2.260 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000172659550 791752376 /nfs/dbraw/zinc/75/23/76/791752376.db2.gz QLUQLWMGEFLLKN-SECBINFHSA-N -1 0 340.382 2.265 20 5 EEBDRM COC(=O)c1nc(OC)ccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504146 797784922 /nfs/dbraw/zinc/78/49/22/797784922.db2.gz VKTPSDZSZZVXBB-UHFFFAOYSA-N -1 0 347.283 2.227 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc3nn(CCO)cc3c2)cc([N+](=O)[O-])c1 ZINC001176679744 798525985 /nfs/dbraw/zinc/52/59/85/798525985.db2.gz KVWIMICVHMBFEX-UHFFFAOYSA-N -1 0 342.311 2.379 20 5 EEBDRM COc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C(N)=O ZINC001176679822 798525995 /nfs/dbraw/zinc/52/59/95/798525995.db2.gz ORTZMEYZBRILEK-UHFFFAOYSA-N -1 0 331.284 2.144 20 5 EEBDRM Cc1coc(C)c1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000793121635 810137838 /nfs/dbraw/zinc/13/78/38/810137838.db2.gz GRQSUOPHASGJAO-UHFFFAOYSA-N -1 0 342.304 2.062 20 5 EEBDRM O=C([O-])C1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000514771834 939238136 /nfs/dbraw/zinc/23/81/36/939238136.db2.gz AEOPOFXVJRUMJP-UHFFFAOYSA-N -1 0 341.323 2.339 20 5 EEBDRM C[C@](NC(=O)CNc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000610847766 939808500 /nfs/dbraw/zinc/80/85/00/939808500.db2.gz PQXCQDDAGMLKFN-QGZVFWFLSA-N -1 0 343.339 2.123 20 5 EEBDRM O=C([O-])COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001611488623 971078649 /nfs/dbraw/zinc/07/86/49/971078649.db2.gz RXQYJBJIKMYPOW-UHFFFAOYSA-N -1 0 330.296 2.448 20 5 EEBDRM O=C([O-])c1ccc(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001595233356 949368685 /nfs/dbraw/zinc/36/86/85/949368685.db2.gz KIJNAPNYUKBXNI-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM C[C@@H](C(=O)[O-])c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC001602825393 971642621 /nfs/dbraw/zinc/64/26/21/971642621.db2.gz VBMWOTMMSBJCGL-MRVPVSSYSA-N -1 0 329.272 2.019 20 5 EEBDRM CCOc1ccc(C(=O)Nc2ncccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001592426652 951331301 /nfs/dbraw/zinc/33/13/01/951331301.db2.gz WGPDVMOHYWFKLY-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM O=C([O-])CC[C@H]1Cc2ccccc2N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001595024522 951331416 /nfs/dbraw/zinc/33/14/16/951331416.db2.gz GSUZJVHLNMOKJR-ZDUSSCGKSA-N -1 0 344.371 2.335 20 5 EEBDRM O=C([O-])CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001595060449 951515286 /nfs/dbraw/zinc/51/52/86/951515286.db2.gz HOCCKDMYKXWBNM-UHFFFAOYSA-N -1 0 325.079 2.245 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001589266189 953372130 /nfs/dbraw/zinc/37/21/30/953372130.db2.gz OMXFURBDLHJFQF-NXEZZACHSA-N -1 0 342.298 2.256 20 5 EEBDRM C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001589335535 953991906 /nfs/dbraw/zinc/99/19/06/953991906.db2.gz GOEOTLWXTSMDMT-NEPJUHHUSA-N -1 0 334.372 2.442 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001588617207 959521750 /nfs/dbraw/zinc/52/17/50/959521750.db2.gz OPOSQHRLFFIRRP-UHFFFAOYSA-N -1 0 334.284 2.404 20 5 EEBDRM CC[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC001573796713 960780841 /nfs/dbraw/zinc/78/08/41/960780841.db2.gz ZRPDGBFGNACOBE-LBPRGKRZSA-N -1 0 349.387 2.038 20 5 EEBDRM C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001607460421 970391509 /nfs/dbraw/zinc/39/15/09/970391509.db2.gz COBRGILGSKKJTM-NSHDSACASA-N -1 0 344.323 2.377 20 5 EEBDRM O=C([O-])[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC001605900637 972726462 /nfs/dbraw/zinc/72/64/62/972726462.db2.gz FDFNPIRHOIXIIL-JTQLQIEISA-N -1 0 330.243 2.246 20 5 EEBDRM Cc1cccc([C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC001605328130 973177758 /nfs/dbraw/zinc/17/77/58/973177758.db2.gz KUYMVHWWQZLDKT-MRXNPFEDSA-N -1 0 328.324 2.388 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)nc1 ZINC001606478695 973958523 /nfs/dbraw/zinc/95/85/23/973958523.db2.gz QGGLJFFYKSIYCP-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM Nc1c(Cl)cc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1[N+](=O)[O-] ZINC001605653632 974031138 /nfs/dbraw/zinc/03/11/38/974031138.db2.gz OGAHHMLJFQRCJP-UHFFFAOYSA-N -1 0 336.691 2.176 20 5 EEBDRM Nc1c(Cl)cc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001605653519 974031369 /nfs/dbraw/zinc/03/13/69/974031369.db2.gz NKSRENYQQITBEY-UHFFFAOYSA-N -1 0 341.751 2.204 20 5 EEBDRM COc1cccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)c1[N+](=O)[O-] ZINC001604857398 974103009 /nfs/dbraw/zinc/10/30/09/974103009.db2.gz ZVCYDMDIZSEUKV-AWEZNQCLSA-N -1 0 344.323 2.468 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001592290832 977617166 /nfs/dbraw/zinc/61/71/66/977617166.db2.gz KWTLCXAXLFAPAB-KRWDZBQOSA-N -1 0 343.339 2.039 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001592307860 977672665 /nfs/dbraw/zinc/67/26/65/977672665.db2.gz ASCWUTAXZOFYFW-INIZCTEOSA-N -1 0 329.312 2.110 20 5 EEBDRM COCCN(CCC(=O)[O-])C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000864116863 979710197 /nfs/dbraw/zinc/71/01/97/979710197.db2.gz WCYBEWNVFDMGPB-UHFFFAOYSA-N -1 0 346.339 2.311 20 5 EEBDRM Cc1coc(CC(=O)[O-])c1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000864216328 979904536 /nfs/dbraw/zinc/90/45/36/979904536.db2.gz NHYYYBJNXDAWEO-UHFFFAOYSA-N -1 0 332.312 2.362 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCO[C@H](C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000871868091 979976869 /nfs/dbraw/zinc/97/68/69/979976869.db2.gz XLXPSDSAHKEMGT-LBPRGKRZSA-N -1 0 348.277 2.380 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001594886975 982268076 /nfs/dbraw/zinc/26/80/76/982268076.db2.gz HUDRCLRPMQTKSM-OTYXRUKQSA-N -1 0 326.324 2.282 20 5 EEBDRM CC[C@H](C)C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594943778 982623691 /nfs/dbraw/zinc/62/36/91/982623691.db2.gz YILCLOMOJAOSEB-CABZTGNLSA-N -1 0 326.324 2.282 20 5 EEBDRM CCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC001595831973 982724322 /nfs/dbraw/zinc/72/43/22/982724322.db2.gz UBNQRIMPWZYXDQ-LLVKDONJSA-N -1 0 344.389 2.085 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001594981867 982774893 /nfs/dbraw/zinc/77/48/93/982774893.db2.gz JXUOJCQYRUBTTR-JTQLQIEISA-N -1 0 334.332 2.330 20 5 EEBDRM CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(C)(C)C(=O)[O-] ZINC001596164827 983527934 /nfs/dbraw/zinc/52/79/34/983527934.db2.gz GDYSAHOBPXKLJD-UHFFFAOYSA-N -1 0 341.339 2.125 20 5 EEBDRM C[C@H]1CC[C@@](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC001599907148 984938388 /nfs/dbraw/zinc/93/83/88/984938388.db2.gz JMVFEWYTUIIPQY-HZRBXJLLSA-N -1 0 338.335 2.426 20 5 EEBDRM CCOCCCN(C[C@@H](C)C(=O)[O-])c1ncc([N+](=O)[O-])cc1F ZINC001596914818 985935302 /nfs/dbraw/zinc/93/53/02/985935302.db2.gz KRMNQLWQLRKCBZ-SNVBAGLBSA-N -1 0 329.328 2.083 20 5 EEBDRM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001589378658 986447431 /nfs/dbraw/zinc/44/74/31/986447431.db2.gz OQPDLTLUPUQZRQ-MADCSZMMSA-N -1 0 334.250 2.209 20 5 EEBDRM CC(C)(C)[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC001589720801 987883518 /nfs/dbraw/zinc/88/35/18/987883518.db2.gz ROHQBBWCMMBFOB-LBPRGKRZSA-N -1 0 334.332 2.234 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)n1 ZINC001597899029 989768078 /nfs/dbraw/zinc/76/80/78/989768078.db2.gz BKXAKULHKUMFOC-LBPRGKRZSA-N -1 0 346.343 2.065 20 5 EEBDRM CC(C)(CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001590675652 990385537 /nfs/dbraw/zinc/38/55/37/990385537.db2.gz MDHGOIYCRLITOG-UHFFFAOYSA-N -1 0 326.324 2.284 20 5 EEBDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001591423471 992510703 /nfs/dbraw/zinc/51/07/03/992510703.db2.gz IKFCJFHFBCGGMU-LBPRGKRZSA-N -1 0 330.287 2.444 20 5 EEBDRM CN1CC[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1=O ZINC001598583837 993354874 /nfs/dbraw/zinc/35/48/74/993354874.db2.gz NFAZBKUSMWIDIJ-QMMMGPOBSA-N -1 0 341.751 2.227 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001599622503 994103732 /nfs/dbraw/zinc/10/37/32/994103732.db2.gz PYKWMYFQGSKUIR-VFZGTOFNSA-N -1 0 337.332 2.178 20 5 EEBDRM C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C(=O)[O-] ZINC001593546625 995620029 /nfs/dbraw/zinc/62/00/29/995620029.db2.gz FXCLUXNRSRETMT-TVYUQYBPSA-N -1 0 349.339 2.310 20 5 EEBDRM COC(=O)/C=C\c1ccc(N[C@@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001598834053 996466578 /nfs/dbraw/zinc/46/65/78/996466578.db2.gz GOPOCJXODOCXRX-VGVVRCBHSA-N -1 0 334.328 2.446 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001599186600 997037398 /nfs/dbraw/zinc/03/73/98/997037398.db2.gz FWHKYMJILJHYML-NADMHLTPSA-N -1 0 348.355 2.090 20 5 EEBDRM COC[C@@]1(C)CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC001599194133 997183027 /nfs/dbraw/zinc/18/30/27/997183027.db2.gz ASCCAZCTLHMQMZ-CQSZACIVSA-N -1 0 344.751 2.188 20 5 EEBDRM COCC[C@H](C)CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599210597 997493191 /nfs/dbraw/zinc/49/31/91/997493191.db2.gz QUJXAXGSYATVAV-VIFPVBQESA-N -1 0 339.348 2.396 20 5 EEBDRM COc1ccc(CNC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001599570279 998353000 /nfs/dbraw/zinc/35/30/00/998353000.db2.gz ARHKCHRSRUYEMK-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM COc1ccc(C(=O)N2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cc1[N+](=O)[O-] ZINC001599480054 998593086 /nfs/dbraw/zinc/59/30/86/998593086.db2.gz LXIUXVHUUYTBBN-UWVGGRQHSA-N -1 0 336.344 2.317 20 5 EEBDRM CO[C@H](CC(C)C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599044888 999143974 /nfs/dbraw/zinc/14/39/74/999143974.db2.gz FYLODNXKIZYEKK-CZUORRHYSA-N -1 0 338.360 2.072 20 5 EEBDRM CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)[O-] ZINC000236879813 282116061 /nfs/dbraw/zinc/11/60/61/282116061.db2.gz ULGPHPBBKWIDGP-UHFFFAOYSA-N -1 0 337.376 2.282 20 5 EEBDRM COc1cc(C(=O)NCC2(C(=O)[O-])CCCCC2)ccc1[N+](=O)[O-] ZINC000261701858 201196977 /nfs/dbraw/zinc/19/69/77/201196977.db2.gz OUAUJOOXUWYYOD-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM Cc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000191903555 239374521 /nfs/dbraw/zinc/37/45/21/239374521.db2.gz QZVGLFOPVWFRRT-UHFFFAOYSA-N -1 0 328.375 2.172 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236604261 242294292 /nfs/dbraw/zinc/29/42/92/242294292.db2.gz WZIXBCUVKDOGQF-CYBMUJFWSA-N -1 0 335.360 2.398 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000456546933 244286227 /nfs/dbraw/zinc/28/62/27/244286227.db2.gz RIIJSODCRDDCRS-MLGOLLRUSA-N -1 0 343.339 2.346 20 5 EEBDRM COc1cc(C(=O)NC2(C(=O)[O-])CCCCC2)cc([N+](=O)[O-])c1C ZINC000262643854 245089926 /nfs/dbraw/zinc/08/99/26/245089926.db2.gz QHSGWDHSGJXQGL-UHFFFAOYSA-N -1 0 336.344 2.429 20 5 EEBDRM C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000263157329 245347712 /nfs/dbraw/zinc/34/77/12/245347712.db2.gz XUHRQOBEIAIOCM-RISCZKNCSA-N -1 0 335.360 2.109 20 5 EEBDRM CN(CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000237021113 204314626 /nfs/dbraw/zinc/31/46/26/204314626.db2.gz OAQNIVBSEORMSK-ZDUSSCGKSA-N -1 0 349.387 2.134 20 5 EEBDRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000496224360 247390008 /nfs/dbraw/zinc/39/00/08/247390008.db2.gz HJFLVIPCRMFUNK-VHSXEESVSA-N -1 0 337.332 2.152 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000262838247 152325407 /nfs/dbraw/zinc/32/54/07/152325407.db2.gz CUINGLHTMWRZJV-GWCFXTLKSA-N -1 0 347.371 2.352 20 5 EEBDRM COC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(F)c1 ZINC000357661876 153273630 /nfs/dbraw/zinc/27/36/30/153273630.db2.gz RWMFACFDTJCGGG-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000131682949 292391525 /nfs/dbraw/zinc/39/15/25/292391525.db2.gz KZYIPDXDTNYNMU-UHFFFAOYSA-N -1 0 335.341 2.302 20 5 EEBDRM Cc1n[nH]cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000119965497 159383825 /nfs/dbraw/zinc/38/38/25/159383825.db2.gz JZEXCHQHXIYAFE-UHFFFAOYSA-N -1 0 330.753 2.389 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000271084236 286773251 /nfs/dbraw/zinc/77/32/51/286773251.db2.gz SAPXYIZXFHQAPD-LLVKDONJSA-N -1 0 344.389 2.085 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCc2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000237981098 160226904 /nfs/dbraw/zinc/22/69/04/160226904.db2.gz JXAPPFSQMFBHOH-UHFFFAOYSA-N -1 0 332.287 2.405 20 5 EEBDRM Cc1ccccc1OCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000340396732 160927802 /nfs/dbraw/zinc/92/78/02/160927802.db2.gz YUAOUNYPYPSULQ-UHFFFAOYSA-N -1 0 344.323 2.410 20 5 EEBDRM CCOC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000344337063 161218243 /nfs/dbraw/zinc/21/82/43/161218243.db2.gz CJOCFZLEVJOKFH-UHFFFAOYSA-N -1 0 337.313 2.186 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000352870514 162321219 /nfs/dbraw/zinc/32/12/19/162321219.db2.gz OACSRLQDMLBFGW-UHFFFAOYSA-N -1 0 328.375 2.149 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000352896731 162336852 /nfs/dbraw/zinc/33/68/52/162336852.db2.gz COYGURMZEVGACU-UHFFFAOYSA-N -1 0 328.375 2.149 20 5 EEBDRM CC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])nc1C ZINC000185787119 274022973 /nfs/dbraw/zinc/02/29/73/274022973.db2.gz MXGQOBOIUUDVNF-UHFFFAOYSA-N -1 0 329.312 2.136 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC(F)F)c(Cl)cc1Cl ZINC000290829897 275244263 /nfs/dbraw/zinc/24/42/63/275244263.db2.gz UMNAHPXCMYLGAD-UHFFFAOYSA-N -1 0 335.115 2.445 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000291532887 275314804 /nfs/dbraw/zinc/31/48/04/275314804.db2.gz KVBGORSDBWOTNH-NSHDSACASA-N -1 0 336.735 2.238 20 5 EEBDRM CCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])o1 ZINC000291976311 275359835 /nfs/dbraw/zinc/35/98/35/275359835.db2.gz RGVWJOMUJQKROG-UHFFFAOYSA-N -1 0 343.336 2.071 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000294012998 293349714 /nfs/dbraw/zinc/34/97/14/293349714.db2.gz DQOFJTSHGNSKPF-OAHLLOKOSA-N -1 0 332.356 2.332 20 5 EEBDRM CC1(C)CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[S@]1=O ZINC000321720467 311597094 /nfs/dbraw/zinc/59/70/94/311597094.db2.gz ZKYDGXINNUNQSM-JOCHJYFZSA-N -1 0 326.374 2.030 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000405426415 312455412 /nfs/dbraw/zinc/45/54/12/312455412.db2.gz VZLRSKHIBXCCLY-SZZPACECSA-N -1 0 330.340 2.321 20 5 EEBDRM O=C(Nc1ccccc1Cn1cncn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432473371 314705958 /nfs/dbraw/zinc/70/59/58/314705958.db2.gz JXEDCCIANQOVOZ-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM COc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1OC ZINC000436936498 315014483 /nfs/dbraw/zinc/01/44/83/315014483.db2.gz TXUXQLUOHVBUIG-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM CC(=O)c1ccc([O-])c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000436951356 315016188 /nfs/dbraw/zinc/01/61/88/315016188.db2.gz PYFYIROCRAOSIU-UHFFFAOYSA-N -1 0 344.279 2.484 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(Oc2ccccn2)CC1 ZINC000436967723 315017968 /nfs/dbraw/zinc/01/79/68/315017968.db2.gz RMISLMNCPJCHQL-UHFFFAOYSA-N -1 0 343.339 2.379 20 5 EEBDRM COc1ccnc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000089641794 441566250 /nfs/dbraw/zinc/56/62/50/441566250.db2.gz CNWHJHGVHAYOSG-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OC)c1 ZINC000444377207 315297647 /nfs/dbraw/zinc/29/76/47/315297647.db2.gz TZCDLKGBISZHCH-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)OC(C)(C)C ZINC000458353709 315698741 /nfs/dbraw/zinc/69/87/41/315698741.db2.gz MOQJKOOUCMPASG-JTQLQIEISA-N -1 0 338.360 2.350 20 5 EEBDRM CNC(=O)Oc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000495770774 316100053 /nfs/dbraw/zinc/10/00/53/316100053.db2.gz QJRBUGVAYOPVSD-UHFFFAOYSA-N -1 0 331.284 2.271 20 5 EEBDRM CCC[C@@H](C)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000547936588 318335236 /nfs/dbraw/zinc/33/52/36/318335236.db2.gz NYMSOIQZYPHKLC-MFKMUULPSA-N -1 0 344.389 2.153 20 5 EEBDRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000563136517 318976193 /nfs/dbraw/zinc/97/61/93/318976193.db2.gz VCZDJEWJWYAXSS-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM O=C([O-])[C@H]1CC[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000565776050 319212966 /nfs/dbraw/zinc/21/29/66/319212966.db2.gz DCNUPFRSFBLOKI-UONOGXRCSA-N -1 0 349.387 2.092 20 5 EEBDRM CN(CCCn1ccnc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566564238 319301439 /nfs/dbraw/zinc/30/14/39/319301439.db2.gz UGJSKDKWPZJJIS-UHFFFAOYSA-N -1 0 338.751 2.313 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](O)C[C@@H]2c2ccccc2)n1 ZINC000567113901 319349856 /nfs/dbraw/zinc/34/98/56/319349856.db2.gz WMKYOKZWWCBGDT-TZMCWYRMSA-N -1 0 343.339 2.309 20 5 EEBDRM Cc1cc(N2CCc3cc[nH]c(=O)c3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570725206 319692070 /nfs/dbraw/zinc/69/20/70/319692070.db2.gz PLLPSPIJNNKJES-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM Cc1sc([C@H]2CCCN2c2ncc([N+](=O)[O-])c(C)n2)nc1C(=O)[O-] ZINC000570805017 319699834 /nfs/dbraw/zinc/69/98/34/319699834.db2.gz JPMZYXAXLIQURT-SECBINFHSA-N -1 0 349.372 2.498 20 5 EEBDRM CC1(C)CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000571287552 319741828 /nfs/dbraw/zinc/74/18/28/319741828.db2.gz GBPPOYQAQWDOJV-VIFPVBQESA-N -1 0 349.265 2.234 20 5 EEBDRM C[C@H](N1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1)C(F)(F)F ZINC000574758896 320054661 /nfs/dbraw/zinc/05/46/61/320054661.db2.gz CEJHSPLXCCUPSV-VIFPVBQESA-N -1 0 347.293 2.366 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000577496262 320258978 /nfs/dbraw/zinc/25/89/78/320258978.db2.gz HWRVEIHWDOOMDK-SNVBAGLBSA-N -1 0 333.369 2.397 20 5 EEBDRM Cc1ccc(CN(CCO)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000180984663 323335575 /nfs/dbraw/zinc/33/55/75/323335575.db2.gz FFGJEIWQXYXRDP-UHFFFAOYSA-N -1 0 330.340 2.244 20 5 EEBDRM CCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000580896819 324149947 /nfs/dbraw/zinc/14/99/47/324149947.db2.gz QDESTFPDOWGEFA-UHFFFAOYSA-N -1 0 342.373 2.246 20 5 EEBDRM CC(C)C1(CNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC000581308464 324227269 /nfs/dbraw/zinc/22/72/69/324227269.db2.gz PAFCOLDDWMTNTP-UHFFFAOYSA-N -1 0 342.373 2.008 20 5 EEBDRM CN(CC(=O)NCc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339038087 465042695 /nfs/dbraw/zinc/04/26/95/465042695.db2.gz LHAXQYXEOYJBLA-UHFFFAOYSA-N -1 0 329.356 2.049 20 5 EEBDRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000336864706 465058244 /nfs/dbraw/zinc/05/82/44/465058244.db2.gz QWYVGEPLGBAEJA-ZDUSSCGKSA-N -1 0 332.337 2.481 20 5 EEBDRM CNC(=O)c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC000356329394 465315202 /nfs/dbraw/zinc/31/52/02/465315202.db2.gz AOTVIRXHLWEYST-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM O=C(NCCCOCCc1ccccc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000130903975 462782192 /nfs/dbraw/zinc/78/21/92/462782192.db2.gz PBUMURZXIKODKT-UHFFFAOYSA-N -1 0 345.355 2.075 20 5 EEBDRM O=C(NCc1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000067180622 462976542 /nfs/dbraw/zinc/97/65/42/462976542.db2.gz YPOTZTNMSLFELQ-UHFFFAOYSA-N -1 0 344.323 2.392 20 5 EEBDRM CCC(CC)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000025338432 463120760 /nfs/dbraw/zinc/12/07/60/463120760.db2.gz IRUBGMOCEFPBJP-UHFFFAOYSA-N -1 0 349.387 2.021 20 5 EEBDRM O=C(CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)Nc1ccccc1 ZINC000164636099 463628313 /nfs/dbraw/zinc/62/83/13/463628313.db2.gz XJZDXRBSJMAERT-UHFFFAOYSA-N -1 0 329.312 2.059 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)cc1[N+](=O)[O-] ZINC000177675623 463763868 /nfs/dbraw/zinc/76/38/68/463763868.db2.gz JWYRXHNULDUBDO-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM CCOC(=O)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000269114053 463879746 /nfs/dbraw/zinc/87/97/46/463879746.db2.gz RYPGSPSHORKJHX-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM CCN(CC)c1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000269165131 463895862 /nfs/dbraw/zinc/89/58/62/463895862.db2.gz FFRVJMIXTBNOHQ-UHFFFAOYSA-N -1 0 344.371 2.472 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nnc(C3CC3)o2)c1C ZINC000194728043 463917214 /nfs/dbraw/zinc/91/72/14/463917214.db2.gz NPPBENLPPDUIBE-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM CCc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262903520 464052194 /nfs/dbraw/zinc/05/21/94/464052194.db2.gz IFRPJBSAHHXOLP-GZBFAFLISA-N -1 0 332.356 2.483 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000263278008 464076174 /nfs/dbraw/zinc/07/61/74/464076174.db2.gz RBXHJTFCCDBLIS-MRVPVSSYSA-N -1 0 326.736 2.255 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263355709 464090610 /nfs/dbraw/zinc/09/06/10/464090610.db2.gz QTQMGDZTYGWKSM-ZWNOBZJWSA-N -1 0 347.371 2.494 20 5 EEBDRM COC(=O)Cc1ccc(NC2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000263440345 464105256 /nfs/dbraw/zinc/10/52/56/464105256.db2.gz WSVJTZJQTMXMKF-UHFFFAOYSA-N -1 0 336.344 2.366 20 5 EEBDRM Cc1noc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)n1 ZINC000179443807 464137921 /nfs/dbraw/zinc/13/79/21/464137921.db2.gz JHIRARCEOUQYAJ-SNVBAGLBSA-N -1 0 332.316 2.012 20 5 EEBDRM O=C(NCc1nc2cc(F)ccc2[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179528162 464152688 /nfs/dbraw/zinc/15/26/88/464152688.db2.gz YAPCLICQUPNCOY-UHFFFAOYSA-N -1 0 330.275 2.246 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237287422 464297500 /nfs/dbraw/zinc/29/75/00/464297500.db2.gz MFINMRJTNGJXQE-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM Cc1csc([C@@H]2COCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000189029236 464418345 /nfs/dbraw/zinc/41/83/45/464418345.db2.gz NXJKSNFRQXWMGH-LBPRGKRZSA-N -1 0 349.368 2.279 20 5 EEBDRM Cc1cc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)[nH]n1 ZINC000272046453 464459239 /nfs/dbraw/zinc/45/92/39/464459239.db2.gz DEQSVFSCLCNGCE-UHFFFAOYSA-N -1 0 330.344 2.352 20 5 EEBDRM COC(=O)[C@H]1CC[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000285767465 464688123 /nfs/dbraw/zinc/68/81/23/464688123.db2.gz JDLBZEIQDPMSBA-YUMQZZPRSA-N -1 0 328.708 2.092 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000177091862 464927456 /nfs/dbraw/zinc/92/74/56/464927456.db2.gz DTUUXAXQGNHBFR-UHFFFAOYSA-N -1 0 330.325 2.339 20 5 EEBDRM Cn1ccnc1[C@H]1N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1(C)C ZINC000295801225 464969047 /nfs/dbraw/zinc/96/90/47/464969047.db2.gz GBODSTLVGANEDK-CYBMUJFWSA-N -1 0 330.344 2.257 20 5 EEBDRM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000356712874 465502736 /nfs/dbraw/zinc/50/27/36/465502736.db2.gz OAMBBSQVDNVUOX-ZCFIWIBFSA-N -1 0 330.259 2.211 20 5 EEBDRM COC(=O)c1cccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356758233 465523281 /nfs/dbraw/zinc/52/32/81/465523281.db2.gz BZJMDMHGZVBXKK-UHFFFAOYSA-N -1 0 330.296 2.017 20 5 EEBDRM Cc1cn2c(n1)[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CCC2 ZINC000356788502 465541614 /nfs/dbraw/zinc/54/16/14/465541614.db2.gz WUQRDHHZWPRDHG-LLVKDONJSA-N -1 0 330.344 2.113 20 5 EEBDRM Cc1noc2ncc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000360230316 465545488 /nfs/dbraw/zinc/54/54/88/465545488.db2.gz KDHSBZAULLPDOI-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1nc(C(F)(F)F)no1 ZINC000600032128 468439988 /nfs/dbraw/zinc/43/99/88/468439988.db2.gz SMQZUDWELCEMNE-RXMQYKEDSA-N -1 0 346.221 2.193 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1nc(C(F)(F)F)no1 ZINC000600032612 468440320 /nfs/dbraw/zinc/44/03/20/468440320.db2.gz XFADWRNPEXKPRR-RXMQYKEDSA-N -1 0 346.221 2.193 20 5 EEBDRM CCc1ccc(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)cc1[N+](=O)[O-] ZINC000338016275 465751599 /nfs/dbraw/zinc/75/15/99/465751599.db2.gz OUQYZKHGFOXWNJ-MRVPVSSYSA-N -1 0 336.373 2.390 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000340215023 465885329 /nfs/dbraw/zinc/88/53/29/465885329.db2.gz NSJAQOXSQGQMBT-SNVBAGLBSA-N -1 0 334.332 2.072 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc(C(F)(F)F)c[nH]2)cc1 ZINC000340369757 466034635 /nfs/dbraw/zinc/03/46/35/466034635.db2.gz SSJWWKFTWNPENG-UHFFFAOYSA-N -1 0 336.251 2.138 20 5 EEBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOC(F)(F)F ZINC000353823840 466177330 /nfs/dbraw/zinc/17/73/30/466177330.db2.gz IDGWWKYRLNKOMK-UHFFFAOYSA-N -1 0 348.686 2.063 20 5 EEBDRM Cn1cc([C@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])cn1 ZINC000331886164 466291329 /nfs/dbraw/zinc/29/13/29/466291329.db2.gz JJCJCBDRVOJGFW-CYBMUJFWSA-N -1 0 330.344 2.401 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)c([N+](=O)[O-])c1 ZINC000361998105 466471580 /nfs/dbraw/zinc/47/15/80/466471580.db2.gz BFXYRTQUOGYEMY-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000319731252 466599301 /nfs/dbraw/zinc/59/93/01/466599301.db2.gz WSTIHQNPDKOMIB-UHFFFAOYSA-N -1 0 336.325 2.023 20 5 EEBDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000323130082 466635928 /nfs/dbraw/zinc/63/59/28/466635928.db2.gz XGPXQVHNYKRAHX-UHFFFAOYSA-N -1 0 336.325 2.304 20 5 EEBDRM O=[N+]([O-])c1cnc([N-]c2cnn(-c3cnc4ccccc4n3)c2)nc1 ZINC000354563032 466642790 /nfs/dbraw/zinc/64/27/90/466642790.db2.gz IBMUEHMCVLKHOL-UHFFFAOYSA-N -1 0 334.299 2.257 20 5 EEBDRM O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000368473908 466644999 /nfs/dbraw/zinc/64/49/99/466644999.db2.gz LAMFWUDDZGFAJI-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000325165615 466654316 /nfs/dbraw/zinc/65/43/16/466654316.db2.gz LERYQKNFVFAZEM-AWEZNQCLSA-N -1 0 328.324 2.329 20 5 EEBDRM C[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C(=O)[O-] ZINC000424256548 467014601 /nfs/dbraw/zinc/01/46/01/467014601.db2.gz AOMIRXBQALOBCJ-IINYFYTJSA-N -1 0 346.343 2.330 20 5 EEBDRM CC(=O)N1CCc2cc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC000427921086 467186223 /nfs/dbraw/zinc/18/62/23/467186223.db2.gz GTDWLQDTONLSJR-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000392646469 467428130 /nfs/dbraw/zinc/42/81/30/467428130.db2.gz RRBWBQNUULLZNF-INIZCTEOSA-N -1 0 331.328 2.071 20 5 EEBDRM O=C([O-])C1CCC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000435724990 467491573 /nfs/dbraw/zinc/49/15/73/467491573.db2.gz VSIQEUJVDCYHBQ-UHFFFAOYSA-N -1 0 335.360 2.014 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1nnnn1-c1ccc(O)cc1 ZINC000436472949 467538623 /nfs/dbraw/zinc/53/86/23/467538623.db2.gz CDUSOCSQBKFZHH-UHFFFAOYSA-N -1 0 345.340 2.274 20 5 EEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(NC(N)=O)cc1 ZINC000436675356 467550453 /nfs/dbraw/zinc/55/04/53/467550453.db2.gz UWDTVGRPWQPPMB-SECBINFHSA-N -1 0 344.327 2.282 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)/C=C\C1CCCC1 ZINC000493117162 467844620 /nfs/dbraw/zinc/84/46/20/467844620.db2.gz CEOTZVLWUKXMOB-TWGQIWQCSA-N -1 0 338.385 2.455 20 5 EEBDRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000495526957 468092838 /nfs/dbraw/zinc/09/28/38/468092838.db2.gz YZYYAYQAWFAICY-SNVBAGLBSA-N -1 0 337.332 2.248 20 5 EEBDRM O=C([O-])CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000594526598 468616121 /nfs/dbraw/zinc/61/61/21/468616121.db2.gz CSJWVCGTFJYRMV-UHFFFAOYSA-N -1 0 341.751 2.126 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000600800119 468661289 /nfs/dbraw/zinc/66/12/89/468661289.db2.gz HZHKWVDUAYVMNK-QWRGUYRKSA-N -1 0 336.344 2.237 20 5 EEBDRM O=C([O-])c1cnc(N2CCC([C@@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000594734807 468667724 /nfs/dbraw/zinc/66/77/24/468667724.db2.gz FOKFOCKVBKTZQE-AWEZNQCLSA-N -1 0 335.360 2.474 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000583757654 468752331 /nfs/dbraw/zinc/75/23/31/468752331.db2.gz AIEAJFKVVHDRDC-NSHDSACASA-N -1 0 340.763 2.408 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCCOc2ccccc2)n1 ZINC000592967826 468830110 /nfs/dbraw/zinc/83/01/10/468830110.db2.gz FXTHWCARQOTXQD-UHFFFAOYSA-N -1 0 331.328 2.877 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000592970219 468831189 /nfs/dbraw/zinc/83/11/89/468831189.db2.gz WXSRRAAQEVAONA-SNVBAGLBSA-N -1 0 331.332 2.104 20 5 EEBDRM CN(C)c1cccnc1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592975987 468831998 /nfs/dbraw/zinc/83/19/98/468831998.db2.gz GLHOEBXMGGAPLG-UHFFFAOYSA-N -1 0 330.344 2.295 20 5 EEBDRM O=C(NC[C@@H]1CCN1Cc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598511953 468895116 /nfs/dbraw/zinc/89/51/16/468895116.db2.gz VLXNPJVPSYPMSP-HNNXBMFYSA-N -1 0 341.367 2.305 20 5 EEBDRM O=C(NC[C@H]1CCN1Cc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598511955 468895465 /nfs/dbraw/zinc/89/54/65/468895465.db2.gz VLXNPJVPSYPMSP-OAHLLOKOSA-N -1 0 341.367 2.305 20 5 EEBDRM Cc1cc(N2CCC[C@H](c3nncn3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572409907 468929442 /nfs/dbraw/zinc/92/94/42/468929442.db2.gz GOFIODMHVZHFFR-NSHDSACASA-N -1 0 345.359 2.114 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598614640 468934008 /nfs/dbraw/zinc/93/40/08/468934008.db2.gz RCTLXXYFKNWOJA-MRVPVSSYSA-N -1 0 326.296 2.441 20 5 EEBDRM O=C([O-])[C@H]1CCCCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598657781 468948869 /nfs/dbraw/zinc/94/88/69/468948869.db2.gz GRQSJHVUPPYGNY-OAHLLOKOSA-N -1 0 345.355 2.474 20 5 EEBDRM CCOc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000610483460 468981166 /nfs/dbraw/zinc/98/11/66/468981166.db2.gz MYNIXWLQJLDQEE-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@]1(C)C(=O)[O-] ZINC000573123618 469067606 /nfs/dbraw/zinc/06/76/06/469067606.db2.gz JIAQZYALODZZQN-JDNHERCYSA-N -1 0 331.328 2.259 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)o1 ZINC000563136028 469180392 /nfs/dbraw/zinc/18/03/92/469180392.db2.gz PXZAQQOSQYEONB-UHFFFAOYSA-N -1 0 340.361 2.294 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC000611289834 469221583 /nfs/dbraw/zinc/22/15/83/469221583.db2.gz ZPVXUANQZJNLKK-CQSZACIVSA-N -1 0 348.286 2.084 20 5 EEBDRM CC(C)(NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000612539693 469491825 /nfs/dbraw/zinc/49/18/25/469491825.db2.gz CMJUOPHLEUHBTE-UHFFFAOYSA-N -1 0 343.339 2.448 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC000263444766 536891850 /nfs/dbraw/zinc/89/18/50/536891850.db2.gz QNVNIFJYKBYXRR-YVEFUNNKSA-N -1 0 348.355 2.239 20 5 EEBDRM Cc1cc(C(=O)N(CC(=O)[O-])c2cccc(C)n2)cc([N+](=O)[O-])c1 ZINC000738320256 578009322 /nfs/dbraw/zinc/00/93/22/578009322.db2.gz PUPKFNBCJPGADS-UHFFFAOYSA-N -1 0 329.312 2.338 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@H]2Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738370060 578011221 /nfs/dbraw/zinc/01/12/21/578011221.db2.gz OCWZFOKPBZMKNE-GFCCVEGCSA-N -1 0 329.316 2.276 20 5 EEBDRM CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000202680584 576078811 /nfs/dbraw/zinc/07/88/11/576078811.db2.gz ZPIHFILNWULWBW-UHFFFAOYSA-N -1 0 336.325 2.118 20 5 EEBDRM Cc1cc(N2CCC[C@@H](OC(=O)c3ccc([N+](=O)[O-])[n-]3)C2)nc(C)n1 ZINC000731293996 577093235 /nfs/dbraw/zinc/09/32/35/577093235.db2.gz CVKPNINBLQJHOU-GFCCVEGCSA-N -1 0 345.359 2.156 20 5 EEBDRM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000771834390 577233465 /nfs/dbraw/zinc/23/34/65/577233465.db2.gz XIMWQSJLWZLQGC-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM Cc1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000774937701 577423955 /nfs/dbraw/zinc/42/39/55/577423955.db2.gz ORTZMZYPLWKOAF-UHFFFAOYSA-N -1 0 334.250 2.129 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000776533630 577461550 /nfs/dbraw/zinc/46/15/50/577461550.db2.gz OCCNEODNZCFFLL-AAEUAGOBSA-N -1 0 340.401 2.020 20 5 EEBDRM O=C(Nc1cnn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000777531372 577480699 /nfs/dbraw/zinc/48/06/99/577480699.db2.gz JVWGOQYUIAMJKG-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000761426800 577683634 /nfs/dbraw/zinc/68/36/34/577683634.db2.gz HOEPLELYDSOQIH-NTMALXAHSA-N -1 0 342.373 2.155 20 5 EEBDRM CC(C)c1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000762062151 577694252 /nfs/dbraw/zinc/69/42/52/577694252.db2.gz MJCJVPIMOSISKX-UHFFFAOYSA-N -1 0 349.368 2.232 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000762732377 577706716 /nfs/dbraw/zinc/70/67/16/577706716.db2.gz SLNSYUDFVGIFFH-NSHDSACASA-N -1 0 342.417 2.266 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)/C=C1\CC[C@@H](C)C1 ZINC000753803543 577793950 /nfs/dbraw/zinc/79/39/50/577793950.db2.gz ULEDVAITEZNTFT-QSARLWQPSA-N -1 0 338.385 2.455 20 5 EEBDRM C/C(=C/C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C(C)(C)C ZINC000744132341 577893249 /nfs/dbraw/zinc/89/32/49/577893249.db2.gz MLFQGBMWHBAWLL-YVMONPNESA-N -1 0 332.403 2.454 20 5 EEBDRM O=C([O-])Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000738630702 578022198 /nfs/dbraw/zinc/02/21/98/578022198.db2.gz IUGGWDCOFNSHDZ-UHFFFAOYSA-N -1 0 348.286 2.379 20 5 EEBDRM Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738747610 578025619 /nfs/dbraw/zinc/02/56/19/578025619.db2.gz ZJSOMAHKUMPTJP-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])CCSCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000739751645 578066629 /nfs/dbraw/zinc/06/66/29/578066629.db2.gz IBWRPURARAXUKW-UHFFFAOYSA-N -1 0 332.765 2.186 20 5 EEBDRM O=C([O-])c1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)n2)c[nH]1 ZINC000740068174 578079456 /nfs/dbraw/zinc/07/94/56/578079456.db2.gz ARVYJYYYLQJSES-UHFFFAOYSA-N -1 0 347.312 2.325 20 5 EEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C2CC=CC2)cc1[N+](=O)[O-] ZINC000741110194 578112941 /nfs/dbraw/zinc/11/29/41/578112941.db2.gz OPSQPUHXMGNKPP-UHFFFAOYSA-N -1 0 344.776 2.328 20 5 EEBDRM CC(C)(C(=O)NC1CCN(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000736223792 578188198 /nfs/dbraw/zinc/18/81/98/578188198.db2.gz PMPILAADIANMLZ-UHFFFAOYSA-N -1 0 335.360 2.131 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N(C)CC(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655546 578216732 /nfs/dbraw/zinc/21/67/32/578216732.db2.gz DYYMCGSDAKDTCG-SNVBAGLBSA-N -1 0 337.376 2.280 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N[C@@H]2CC=CCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736656005 578216798 /nfs/dbraw/zinc/21/67/98/578216798.db2.gz HTTOHYBKGIPBJS-CMPLNLGQSA-N -1 0 333.344 2.318 20 5 EEBDRM CC(C)[C@@H]1CCCN1c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736656832 578216838 /nfs/dbraw/zinc/21/68/38/578216838.db2.gz MTDKPVPXOGXQNK-YPMHNXCESA-N -1 0 349.387 2.423 20 5 EEBDRM O=C([O-])[C@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000794401555 596900917 /nfs/dbraw/zinc/90/09/17/596900917.db2.gz OLWKEKSBPGBOGT-LURJTMIESA-N -1 0 349.221 2.433 20 5 EEBDRM Cc1c(Br)cc(C(=O)N(C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000820934160 597383501 /nfs/dbraw/zinc/38/35/01/597383501.db2.gz GWESCQMTXOFTCO-UHFFFAOYSA-N -1 0 345.149 2.212 20 5 EEBDRM O=C([O-])[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000821512146 598124087 /nfs/dbraw/zinc/12/40/87/598124087.db2.gz BMJPYMQKAWIEPS-HNNXBMFYSA-N -1 0 332.312 2.140 20 5 EEBDRM Cc1ccsc1S(=O)(=O)Oc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000832985532 600712635 /nfs/dbraw/zinc/71/26/35/600712635.db2.gz SDXSPWQPZNZEQO-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccccn1 ZINC000833126808 600917571 /nfs/dbraw/zinc/91/75/71/600917571.db2.gz UOGATLGVBVWHFF-CQSZACIVSA-N -1 0 340.295 2.027 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000833125339 600975640 /nfs/dbraw/zinc/97/56/40/600975640.db2.gz HWBUXDPCIRYKKC-GFCCVEGCSA-N -1 0 335.703 2.199 20 5 EEBDRM Cn1c(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833038759 601091580 /nfs/dbraw/zinc/09/15/80/601091580.db2.gz HSTRBKVTSBDPNA-TZMCWYRMSA-N -1 0 349.387 2.429 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccn1 ZINC000833127144 601448922 /nfs/dbraw/zinc/44/89/22/601448922.db2.gz VDYFGWPGSDFEQM-LLVKDONJSA-N -1 0 335.703 2.199 20 5 EEBDRM CCN(CC)C(=O)CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000829653932 602253180 /nfs/dbraw/zinc/25/31/80/602253180.db2.gz JWQADSXWYPEFDO-UHFFFAOYSA-N -1 0 329.740 2.227 20 5 EEBDRM Cc1cc(NCCCN2CCCCC2=O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897633 602317900 /nfs/dbraw/zinc/31/79/00/602317900.db2.gz XHDHLLFKXGIUBM-UHFFFAOYSA-N -1 0 335.360 2.416 20 5 EEBDRM COCc1nc(Sc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000831836256 602325323 /nfs/dbraw/zinc/32/53/23/602325323.db2.gz CJKKQXDVEBEDQK-HYXAFXHYSA-N -1 0 336.329 2.108 20 5 EEBDRM CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC000830477786 602335023 /nfs/dbraw/zinc/33/50/23/602335023.db2.gz DVYHZGSHJLLJBB-UHFFFAOYSA-N -1 0 335.341 2.345 20 5 EEBDRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc21 ZINC000833219387 602350331 /nfs/dbraw/zinc/35/03/31/602350331.db2.gz GYCPFLTXAIYISZ-SNVBAGLBSA-N -1 0 327.296 2.209 20 5 EEBDRM C[C@H](CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[S@@](C)=O ZINC000827417294 604284426 /nfs/dbraw/zinc/28/44/26/604284426.db2.gz BZCZRPDTHAIOMY-XICBMAJESA-N -1 0 326.374 2.262 20 5 EEBDRM O=C([O-])c1cccc(OCCSCCn2cc([N+](=O)[O-])cn2)c1 ZINC000833331661 604804361 /nfs/dbraw/zinc/80/43/61/604804361.db2.gz BXAUSNNPAAZFCT-UHFFFAOYSA-N -1 0 337.357 2.302 20 5 EEBDRM CC[C@@H](OC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000833646436 605015934 /nfs/dbraw/zinc/01/59/34/605015934.db2.gz VPZNTWIECVFXHJ-SNVBAGLBSA-N -1 0 331.708 2.424 20 5 EEBDRM CC(C)c1nnc([C@@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[nH]1 ZINC000833511985 605022954 /nfs/dbraw/zinc/02/29/54/605022954.db2.gz GVGMICYSOWXTSY-MRVPVSSYSA-N -1 0 347.331 2.026 20 5 EEBDRM C/C(=C\COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833381472 605081443 /nfs/dbraw/zinc/08/14/43/605081443.db2.gz BICITNWXEXYRIH-QPJJXVBHSA-N -1 0 331.227 2.384 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1cc(-c2nn[nH]n2)cs1 ZINC000823387772 606304456 /nfs/dbraw/zinc/30/44/56/606304456.db2.gz XFEOANGEHYBRMH-UPHRSURJSA-N -1 0 344.312 2.100 20 5 EEBDRM CC(C)(C)c1nc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)no1 ZINC000120142926 674677108 /nfs/dbraw/zinc/67/71/08/674677108.db2.gz YKCWSIZRJCRMSL-UHFFFAOYSA-N -1 0 332.363 2.138 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000013414207 682812261 /nfs/dbraw/zinc/81/22/61/682812261.db2.gz AYCICXOPUXANFV-UHFFFAOYSA-N -1 0 342.307 2.261 20 5 EEBDRM O=C(CCCC1CC1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000813079868 1201101897 /nfs/dbraw/zinc/10/18/97/1201101897.db2.gz BHWNLPZXMIOIHE-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779679234 1210750950 /nfs/dbraw/zinc/75/09/50/1210750950.db2.gz XOVGZACHHLAHRS-GFCCVEGCSA-N -1 0 336.344 2.106 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnn(-c2ccccc2)n1 ZINC000089541049 1212002703 /nfs/dbraw/zinc/00/27/03/1212002703.db2.gz VWUFVHSTGNRTGF-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1cc(C)cc([C@H](O)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000801539279 1235803040 /nfs/dbraw/zinc/80/30/40/1235803040.db2.gz WGAKZKFHQYKSNA-OAHLLOKOSA-N -1 0 330.340 2.381 20 5 EEBDRM CCOc1cc(CN2CC(F)(F)C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000903614273 1241170238 /nfs/dbraw/zinc/17/02/38/1241170238.db2.gz XMHQRMNOVKQLLU-NSHDSACASA-N -1 0 330.287 2.288 20 5 EEBDRM O=[N+]([O-])C1C[C@H]1c1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000857094425 1293717546 /nfs/dbraw/zinc/71/75/46/1293717546.db2.gz XGZQXWJBDSKJOU-SVGQVSJJSA-N -1 0 344.096 2.476 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000115924708 1294038925 /nfs/dbraw/zinc/03/89/25/1294038925.db2.gz PRVMUFVSZAODGU-UHFFFAOYSA-N -1 0 348.380 2.341 20 5 EEBDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC001213670202 1296132003 /nfs/dbraw/zinc/13/20/03/1296132003.db2.gz NKOSPTQNVBYEBJ-UHFFFAOYSA-N -1 0 337.357 2.295 20 5 EEBDRM O=C([O-])C[C@@H](O)C(=O)Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001225972344 1301219094 /nfs/dbraw/zinc/21/90/94/1301219094.db2.gz DJQOXOVTFHIDAS-CQSZACIVSA-N -1 0 331.280 2.003 20 5 EEBDRM O=C([O-])CC[C@@H](O)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 ZINC001226511934 1301443041 /nfs/dbraw/zinc/44/30/41/1301443041.db2.gz LRZBRRASWDCONI-CQSZACIVSA-N -1 0 342.303 2.077 20 5 EEBDRM Cc1cn2c(n1)[C@H](Oc1nc(C3CC3)[n-]c(=O)c1[N+](=O)[O-])CCC2 ZINC001228602701 1302332745 /nfs/dbraw/zinc/33/27/45/1302332745.db2.gz DPGWGBDVSCYNLO-SNVBAGLBSA-N -1 0 331.332 2.387 20 5 EEBDRM CCC[C@H](Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-])C(=O)OCC ZINC001228811220 1302461900 /nfs/dbraw/zinc/46/19/00/1302461900.db2.gz OAXWJXHSDBBHOY-LBPRGKRZSA-N -1 0 341.316 2.198 20 5 EEBDRM COc1ccc(OC[C@@H](C)Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001229380884 1302753927 /nfs/dbraw/zinc/75/39/27/1302753927.db2.gz MNXBFXIJWUZROP-SECBINFHSA-N -1 0 335.316 2.254 20 5 EEBDRM O=C1C[C@@H](Oc2cc([N+](=O)[O-])ccc2O)C(=O)N1Cc1ccccc1 ZINC001229396041 1302761633 /nfs/dbraw/zinc/76/16/33/1302761633.db2.gz PNARUHVRTCXFEZ-OAHLLOKOSA-N -1 0 342.307 2.007 20 5 EEBDRM O=C([O-])C[C@H](O)C(=O)Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC001230938119 1303552595 /nfs/dbraw/zinc/55/25/95/1303552595.db2.gz DRBQKWKFXOVXKG-AWEZNQCLSA-N -1 0 331.280 2.003 20 5 EEBDRM C[C@@H](CN1CCOCC1)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC001233501304 1304485745 /nfs/dbraw/zinc/48/57/45/1304485745.db2.gz YJENQZJOZXPVSL-VIFPVBQESA-N -1 0 340.767 2.224 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]Cc2ccc[nH]2)c1 ZINC000798229123 1304954321 /nfs/dbraw/zinc/95/43/21/1304954321.db2.gz ZNGWVXKWNDIMSA-UHFFFAOYSA-N -1 0 333.728 2.194 20 5 EEBDRM O=C(N[C@H](CCO)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000799802689 1305440818 /nfs/dbraw/zinc/44/08/18/1305440818.db2.gz UHUHBMKWKQDLPV-CYBMUJFWSA-N -1 0 330.340 2.024 20 5 EEBDRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC=CCC1 ZINC000835231864 1314906092 /nfs/dbraw/zinc/90/60/92/1314906092.db2.gz NAKRSDXYTCCCIW-CQSZACIVSA-N -1 0 342.348 2.285 20 5 EEBDRM CC(C)[C@@H](CO)O[N-]C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000836891663 1315038361 /nfs/dbraw/zinc/03/83/61/1315038361.db2.gz NXSDZXKMLUPCIO-LLVKDONJSA-N -1 0 348.808 2.405 20 5 EEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@]1(O)CCc2ccccc2C1 ZINC000837715603 1315104974 /nfs/dbraw/zinc/10/49/74/1315104974.db2.gz SRDQZTGAJMUKPY-SFHVURJKSA-N -1 0 343.335 2.264 20 5 EEBDRM C[C@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000840699908 1315399856 /nfs/dbraw/zinc/39/98/56/1315399856.db2.gz YPBINBOQVZAOHW-SECBINFHSA-N -1 0 325.317 2.321 20 5 EEBDRM CCS(=O)(=O)[N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840955348 1315445615 /nfs/dbraw/zinc/44/56/15/1315445615.db2.gz VPRFOVWJSSASPE-SECBINFHSA-N -1 0 330.259 2.277 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588905241 1348944630 /nfs/dbraw/zinc/94/46/30/1348944630.db2.gz HOOJCVGFOFTBFG-VIFPVBQESA-N -1 0 329.740 2.060 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)CCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC001601280593 1350247890 /nfs/dbraw/zinc/24/78/90/1350247890.db2.gz DLLZRFIZMTYIGF-UHFFFAOYSA-N -1 0 337.206 2.167 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)C(F)(F)c2nccs2)cc1[N+](=O)[O-] ZINC001602389268 1350508689 /nfs/dbraw/zinc/50/86/89/1350508689.db2.gz UMYZLMATPUZOJJ-UHFFFAOYSA-N -1 0 344.251 2.447 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001605059649 1351068989 /nfs/dbraw/zinc/06/89/89/1351068989.db2.gz FRAQKOLVVFVKKY-SUMWQHHRSA-N -1 0 334.372 2.487 20 5 EEBDRM O=C([O-])[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC001608357334 1351678026 /nfs/dbraw/zinc/67/80/26/1351678026.db2.gz LESFQTFIPAKFGM-GFCCVEGCSA-N -1 0 331.683 2.336 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001608577600 1351719332 /nfs/dbraw/zinc/71/93/32/1351719332.db2.gz NNPLTXSIGLDUHL-NSHDSACASA-N -1 0 333.113 2.360 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@H](O)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC001608780543 1351761602 /nfs/dbraw/zinc/76/16/02/1351761602.db2.gz OSQHYKATMKAFCX-ZDUSSCGKSA-N -1 0 348.330 2.377 20 5 EEBDRM O=C([O-])c1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001608936558 1351798127 /nfs/dbraw/zinc/79/81/27/1351798127.db2.gz AIJZFHLSHWVKQW-UHFFFAOYSA-N -1 0 332.224 2.420 20 5 EEBDRM O=C([O-])c1ccnc(NCCOC2CCSCC2)c1[N+](=O)[O-] ZINC001608954061 1351802082 /nfs/dbraw/zinc/80/20/82/1351802082.db2.gz XUUHDZRPSMIKRU-UHFFFAOYSA-N -1 0 327.362 2.012 20 5 EEBDRM O=C([O-])c1cnc(CCNc2cc(F)c([N+](=O)[O-])cc2CO)s1 ZINC001608970791 1351804703 /nfs/dbraw/zinc/80/47/03/1351804703.db2.gz FHFBMCIATUXECB-UHFFFAOYSA-N -1 0 341.320 2.036 20 5 EEBDRM O=C([O-])c1nn(Cc2cc(F)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC001609004638 1351812215 /nfs/dbraw/zinc/81/22/15/1351812215.db2.gz QEHIHATVXMWCAI-UHFFFAOYSA-N -1 0 331.206 2.278 20 5 EEBDRM CCC(CC)(CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(=O)[O-] ZINC001609188921 1351883227 /nfs/dbraw/zinc/88/32/27/1351883227.db2.gz MNDZCAVVSIFHLG-UHFFFAOYSA-N -1 0 334.336 2.078 20 5 EEBDRM CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1ccsc1[N+](=O)[O-] ZINC001326115112 1334028742 /nfs/dbraw/zinc/02/87/42/1334028742.db2.gz DMJGECSUNWDHFI-UHFFFAOYSA-N -1 0 330.391 2.314 20 5 EEBDRM COC(=O)CN(CC(C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001326357952 1334075769 /nfs/dbraw/zinc/07/57/69/1334075769.db2.gz GCTBFCZWTUYBPR-UHFFFAOYSA-N -1 0 344.751 2.225 20 5 EEBDRM CN(c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C)[C@H]1CCSC1 ZINC001339664217 1337048186 /nfs/dbraw/zinc/04/81/86/1337048186.db2.gz FGMBVANBMRALEX-JTQLQIEISA-N -1 0 335.389 2.038 20 5 EEBDRM CNc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1[N+](=O)[O-] ZINC001610148380 1352173467 /nfs/dbraw/zinc/17/34/67/1352173467.db2.gz YIEYPDMDIVTZMI-GFCCVEGCSA-N -1 0 335.341 2.254 20 5 EEBDRM COC(=O)c1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC001610204045 1352185072 /nfs/dbraw/zinc/18/50/72/1352185072.db2.gz YKNVWORSJRKBFI-UHFFFAOYSA-N -1 0 345.263 2.299 20 5 EEBDRM COc1ccc(CNC(=O)c2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001610333386 1352207026 /nfs/dbraw/zinc/20/70/26/1352207026.db2.gz NJQAJZRWUMCWDT-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM COc1ccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001610342868 1352208236 /nfs/dbraw/zinc/20/82/36/1352208236.db2.gz WYWPMBGWKIUOQM-UHFFFAOYSA-N -1 0 345.311 2.013 20 5 EEBDRM Cc1cc(Nc2ccc(CC(N)=O)cc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610476245 1352229050 /nfs/dbraw/zinc/22/90/50/1352229050.db2.gz ZMMNFDGJAYHJIK-UHFFFAOYSA-N -1 0 329.312 2.373 20 5 EEBDRM Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C(=O)[O-])cc1C ZINC001610495411 1352233095 /nfs/dbraw/zinc/23/30/95/1352233095.db2.gz PSDDEUSCTPHURY-AWEZNQCLSA-N -1 0 329.312 2.162 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])n1 ZINC001610515233 1352236552 /nfs/dbraw/zinc/23/65/52/1352236552.db2.gz ZXODDCHCTJMBMC-CYBMUJFWSA-N -1 0 335.291 2.381 20 5 EEBDRM CCn1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)n1 ZINC000849311614 1339152401 /nfs/dbraw/zinc/15/24/01/1339152401.db2.gz LQXXNBFFYNCCBR-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM O=C([O-])C[C@H]1COCCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001610765205 1352270898 /nfs/dbraw/zinc/27/08/98/1352270898.db2.gz MBPBZBRQSOVKOH-ZDUSSCGKSA-N -1 0 343.339 2.337 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)NCCC2=CCCC2)cc1[N+](=O)[O-] ZINC001610839680 1352283357 /nfs/dbraw/zinc/28/33/57/1352283357.db2.gz WHGOVIJYLMRWRM-UHFFFAOYSA-N -1 0 340.357 2.072 20 5 EEBDRM O=[N+]([O-])c1cn([C@@H]2CCc3c2cccc3Cl)nc1-c1nnn[n-]1 ZINC001593486693 1349814854 /nfs/dbraw/zinc/81/48/54/1349814854.db2.gz HOBVHNTVAYDUGP-SNVBAGLBSA-N -1 0 331.723 2.160 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001594901846 1349878695 /nfs/dbraw/zinc/87/86/95/1349878695.db2.gz KIRGYXXROVTMMU-NOZJJQNGSA-N -1 0 326.374 2.302 20 5 EEBDRM Cc1c(COC(=O)CCc2ocnc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001600013526 1349955386 /nfs/dbraw/zinc/95/53/86/1349955386.db2.gz NTNIUJDYLSTWIC-UHFFFAOYSA-N -1 0 334.284 2.265 20 5 EEBDRM Cc1c(NC(=O)c2cnn(C(F)F)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600048814 1349962334 /nfs/dbraw/zinc/96/23/34/1349962334.db2.gz FKZFNJRPPMWKAA-UHFFFAOYSA-N -1 0 340.242 2.445 20 5 EEBDRM Cc1cc(C)nc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001600181043 1349986858 /nfs/dbraw/zinc/98/68/58/1349986858.db2.gz KYVHBJYENFQFEG-KRWDZBQOSA-N -1 0 343.339 2.336 20 5 EEBDRM Cc1cc(NCCNC(=O)c2ccccc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600280855 1350010040 /nfs/dbraw/zinc/01/00/40/1350010040.db2.gz DUEYBWJQPOZUFM-UHFFFAOYSA-N -1 0 343.339 2.443 20 5 EEBDRM Cc1ccc([C@@H](O)CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001600486165 1350062982 /nfs/dbraw/zinc/06/29/82/1350062982.db2.gz WXLQTHZIOVYQGC-HNNXBMFYSA-N -1 0 344.323 2.065 20 5 EEBDRM Cc1cnc2cc(C(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)ccn12 ZINC001600626921 1350101345 /nfs/dbraw/zinc/10/13/45/1350101345.db2.gz RUDAFSMEQNBTNL-UHFFFAOYSA-N -1 0 341.279 2.468 20 5 EEBDRM Cc1ncc(Cl)c(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001600737781 1350124856 /nfs/dbraw/zinc/12/48/56/1350124856.db2.gz NBWHSFDCZHHYPV-UHFFFAOYSA-N -1 0 337.675 2.264 20 5 EEBDRM Cc1oc(C=O)cc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001600840729 1350148732 /nfs/dbraw/zinc/14/87/32/1350148732.db2.gz QIOCUZJEKFGTRL-INIZCTEOSA-N -1 0 346.295 2.039 20 5 EEBDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC001601241277 1350239482 /nfs/dbraw/zinc/23/94/82/1350239482.db2.gz VRTQPDASTJDBSE-UTCJRWHESA-N -1 0 329.268 2.046 20 5 EEBDRM O=C([O-])c1sccc1NC(=O)CN1CCc2c1cccc2[N+](=O)[O-] ZINC001601318537 1350255971 /nfs/dbraw/zinc/25/59/71/1350255971.db2.gz OUTGWRMLEWQEET-UHFFFAOYSA-N -1 0 347.352 2.356 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2C[C@H]21 ZINC001601359451 1350266031 /nfs/dbraw/zinc/26/60/31/1350266031.db2.gz JEQNFBYVKDFUDH-KLBPJQLPSA-N -1 0 338.747 2.016 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]2C[C@H]21 ZINC001601362086 1350266528 /nfs/dbraw/zinc/26/65/28/1350266528.db2.gz OUAVXGQVISSHCJ-XZUYRWCXSA-N -1 0 338.747 2.016 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001601367335 1350267720 /nfs/dbraw/zinc/26/77/20/1350267720.db2.gz WCHZEZDFASDBCP-UHFFFAOYSA-N -1 0 332.287 2.291 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001601528681 1350301286 /nfs/dbraw/zinc/30/12/86/1350301286.db2.gz NVEVASJMEPVXIO-HTRCEHHLSA-N -1 0 332.234 2.064 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])ccn1 ZINC001601633807 1350325048 /nfs/dbraw/zinc/32/50/48/1350325048.db2.gz UQDRPOFDVCPXKT-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM O=C([O-])C12CCC(C(=O)NCCc3cccc([N+](=O)[O-])c3)(CC1)C2 ZINC001601730026 1350349865 /nfs/dbraw/zinc/34/98/65/1350349865.db2.gz BJGYGFCJJLNIHG-UHFFFAOYSA-N -1 0 332.356 2.289 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001601754945 1350357403 /nfs/dbraw/zinc/35/74/03/1350357403.db2.gz PGAOBOXNWLHOKW-HOCLYGCPSA-N -1 0 346.339 2.265 20 5 EEBDRM O=C([O-])C1CC2(C1)C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])CCS2 ZINC001601787944 1350364847 /nfs/dbraw/zinc/36/48/47/1350364847.db2.gz FUZFVJMXTIGEQY-PUUHTONNSA-N -1 0 339.373 2.236 20 5 EEBDRM O=C([O-])/C=C/c1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC001601874636 1350386833 /nfs/dbraw/zinc/38/68/33/1350386833.db2.gz DPQGRXUDCYTXBH-SOFGYWHQSA-N -1 0 330.296 2.258 20 5 EEBDRM O=C([O-])Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001602118655 1350443044 /nfs/dbraw/zinc/44/30/44/1350443044.db2.gz FNBLHUKJYYBHQN-UHFFFAOYSA-N -1 0 328.324 2.081 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]21 ZINC001602206998 1350465936 /nfs/dbraw/zinc/46/59/36/1350465936.db2.gz IFANFJLENRICPN-URLYPYJESA-N -1 0 344.245 2.016 20 5 EEBDRM O=C([O-])c1c(Cl)c(NCCC2(O)CCOCC2)ccc1[N+](=O)[O-] ZINC001602232192 1350471675 /nfs/dbraw/zinc/47/16/75/1350471675.db2.gz FOUUENHQMJPYPY-UHFFFAOYSA-N -1 0 344.751 2.290 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2ccc3cnccc3c2)c1=O ZINC001602301143 1350488656 /nfs/dbraw/zinc/48/86/56/1350488656.db2.gz FIKCSMIVFZVHQY-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM O=C([O-])c1nn(CCOc2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001602585821 1350551899 /nfs/dbraw/zinc/55/18/99/1350551899.db2.gz ZXKMOWXZIDFJEL-UHFFFAOYSA-N -1 0 329.671 2.361 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@H]1OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001602610047 1350556528 /nfs/dbraw/zinc/55/65/28/1350556528.db2.gz LPOLIHMTKGVVQM-GXSJLCMTSA-N -1 0 337.284 2.124 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC001602621486 1350559371 /nfs/dbraw/zinc/55/93/71/1350559371.db2.gz PMZPJLHNIHFEHS-UHFFFAOYSA-N -1 0 332.224 2.420 20 5 EEBDRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001602628850 1350561443 /nfs/dbraw/zinc/56/14/43/1350561443.db2.gz XVFJKKVITZYQRE-GOSISDBHSA-N -1 0 340.335 2.463 20 5 EEBDRM CC(C)[C@]1(C)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001603744831 1350756764 /nfs/dbraw/zinc/75/67/64/1350756764.db2.gz CJJQVGPZKZKOHG-JSGCOSHPSA-N -1 0 342.373 2.006 20 5 EEBDRM CC[C@@]1(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CCOC1 ZINC001605146678 1351088398 /nfs/dbraw/zinc/08/83/98/1351088398.db2.gz FLEPSLUNBKUVKL-OAHLLOKOSA-N -1 0 337.332 2.292 20 5 EEBDRM CCNC(=O)C1(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CCC1 ZINC001605489525 1351169708 /nfs/dbraw/zinc/16/97/08/1351169708.db2.gz JQCMWIOHJRIMAQ-UHFFFAOYSA-N -1 0 335.360 2.320 20 5 EEBDRM CCNc1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001605501506 1351173006 /nfs/dbraw/zinc/17/30/06/1351173006.db2.gz QDFMQXYSMOBLGH-UHFFFAOYSA-N -1 0 330.300 2.372 20 5 EEBDRM COC(=O)Cc1cccc(Oc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001606480280 1351307775 /nfs/dbraw/zinc/30/77/75/1351307775.db2.gz YERCEFWFKMCPRB-UHFFFAOYSA-N -1 0 332.268 2.196 20 5 EEBDRM CO[C@@]1(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC001606717872 1351346134 /nfs/dbraw/zinc/34/61/34/1351346134.db2.gz XAPWYJJHAMHHEX-CYBMUJFWSA-N -1 0 330.724 2.164 20 5 EEBDRM COc1cc([C@@H]2NC(=O)N(C3CC3)C(C)=C2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607150885 1351438771 /nfs/dbraw/zinc/43/87/71/1351438771.db2.gz PNKVSHORBCLPNX-AWEZNQCLSA-N -1 0 347.327 2.191 20 5 EEBDRM COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001607171900 1351442693 /nfs/dbraw/zinc/44/26/93/1351442693.db2.gz YQTFIEJBCUPPIJ-UHFFFAOYSA-N -1 0 346.295 2.241 20 5 EEBDRM COc1cc(NCc2onc(C)c2[N+](=O)[O-])c(C(=O)[O-])cc1OC ZINC001607181061 1351444199 /nfs/dbraw/zinc/44/41/99/1351444199.db2.gz PLXBLEKZRFYFSY-UHFFFAOYSA-N -1 0 337.288 2.219 20 5 EEBDRM COc1ccc(COC(=O)c2ccncc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001607260708 1351460814 /nfs/dbraw/zinc/46/08/14/1351460814.db2.gz IXMZPTLTRVMWHI-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC001607291793 1351466144 /nfs/dbraw/zinc/46/61/44/1351466144.db2.gz KQQVKWHMXRUAPX-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM COc1cccc(C(=O)NCC2(CC(=O)[O-])CCCC2)c1[N+](=O)[O-] ZINC001607304523 1351468929 /nfs/dbraw/zinc/46/89/29/1351468929.db2.gz FOJZKUGFQFJWNT-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](C)c2ccn(C)n2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607543035 1351513087 /nfs/dbraw/zinc/51/30/87/1351513087.db2.gz NVSLSAGSNNYCJS-VIFPVBQESA-N -1 0 347.331 2.218 20 5 EEBDRM Cc1cc(N2CCC[C@H](c3cn(C)nn3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607669856 1351536899 /nfs/dbraw/zinc/53/68/99/1351536899.db2.gz QWZMSUWHNWEPIO-NSHDSACASA-N -1 0 345.359 2.114 20 5 EEBDRM Cc1cc(N2CCC(N3CCCC3=O)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607685378 1351539246 /nfs/dbraw/zinc/53/92/46/1351539246.db2.gz VWGJGBUNKUFKEC-UHFFFAOYSA-N -1 0 347.371 2.193 20 5 EEBDRM Cc1ccn(C[C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001607892366 1351580224 /nfs/dbraw/zinc/58/02/24/1351580224.db2.gz XJDQPBIAOBRSBJ-SECBINFHSA-N -1 0 332.316 2.073 20 5 EEBDRM Cc1cnc(CC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC001607905442 1351583158 /nfs/dbraw/zinc/58/31/58/1351583158.db2.gz AIBWTMQCLJVFAA-OAHLLOKOSA-N -1 0 349.368 2.018 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000796714037 759881723 /nfs/dbraw/zinc/88/17/23/759881723.db2.gz ADKHQZZZQKNDIW-SECBINFHSA-N -1 0 348.327 2.144 20 5 EEBDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000785079716 759932321 /nfs/dbraw/zinc/93/23/21/759932321.db2.gz XAPILMYBOXRKBK-VHSXEESVSA-N -1 0 346.430 2.320 20 5 EEBDRM Cc1cccc(CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1 ZINC000112160732 775424061 /nfs/dbraw/zinc/42/40/61/775424061.db2.gz PATFETNCJOETNI-UHFFFAOYSA-N -1 0 340.382 2.012 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](O)c2ccccc2C)n1 ZINC000844211566 788930197 /nfs/dbraw/zinc/93/01/97/788930197.db2.gz RMCMPUVOKCTZBJ-ZDUSSCGKSA-N -1 0 331.328 2.450 20 5 EEBDRM Cc1nc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])ccc1[C@@H](C)O ZINC000844215146 788932180 /nfs/dbraw/zinc/93/21/80/788932180.db2.gz YZYOWBKVXPERNK-SECBINFHSA-N -1 0 332.316 2.057 20 5 EEBDRM COC(=O)Cc1ccc(O)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174505438 797784885 /nfs/dbraw/zinc/78/48/85/797784885.db2.gz XZWFGKJWPZGBQZ-UHFFFAOYSA-N -1 0 346.295 2.458 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc3c(c2)NC(=O)C3=O)cc1[N+](=O)[O-] ZINC001174505240 797785032 /nfs/dbraw/zinc/78/50/32/797785032.db2.gz QJZFOHRCUSRMBP-UHFFFAOYSA-N -1 0 327.252 2.171 20 5 EEBDRM O=C([O-])c1ccc(Nc2cc3n(n2)CC(F)(F)CO3)cc1[N+](=O)[O-] ZINC001174504004 797785037 /nfs/dbraw/zinc/78/50/37/797785037.db2.gz SMTBYZDVQHJAOE-UHFFFAOYSA-N -1 0 340.242 2.261 20 5 EEBDRM CCCCS(=O)(=O)[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000916789087 797887083 /nfs/dbraw/zinc/88/70/83/797887083.db2.gz RRGRNQOSFZCQIO-UHFFFAOYSA-N -1 0 326.330 2.201 20 5 EEBDRM COc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(C(N)=O)c1 ZINC001176680299 798525907 /nfs/dbraw/zinc/52/59/07/798525907.db2.gz XSSWFSJLYQHKNJ-UHFFFAOYSA-N -1 0 331.284 2.144 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc3c(c2)CCNC3=O)cc([N+](=O)[O-])c1 ZINC001176678927 798525965 /nfs/dbraw/zinc/52/59/65/798525965.db2.gz CKBOXDJDPGMSNG-UHFFFAOYSA-N -1 0 327.296 2.323 20 5 EEBDRM O=C(Nc1cc(-c2nc[nH]n2)ccc1F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000791280511 809167978 /nfs/dbraw/zinc/16/79/78/809167978.db2.gz KCXOBPANZHIFHK-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM CC[C@]1(C(=O)[O-])CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC001589607721 949303039 /nfs/dbraw/zinc/30/30/39/949303039.db2.gz KHPFSFVAFCWPKV-HNNXBMFYSA-N -1 0 326.324 2.307 20 5 EEBDRM CCOc1cc(NC(=O)N(C)CCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC001592210916 951310983 /nfs/dbraw/zinc/31/09/83/951310983.db2.gz ANXKOJKGGAHIOX-UHFFFAOYSA-N -1 0 325.321 2.322 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001589310292 953783505 /nfs/dbraw/zinc/78/35/05/953783505.db2.gz IIKRFTVSZDLVTN-WDEREUQCSA-N -1 0 345.355 2.136 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001589343319 954030131 /nfs/dbraw/zinc/03/01/31/954030131.db2.gz DEKNWBCPHWZPSG-MISXGVKJSA-N -1 0 335.360 2.408 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594665461 956570172 /nfs/dbraw/zinc/57/01/72/956570172.db2.gz DHJATYZVWFPZRE-YPMHNXCESA-N -1 0 341.323 2.220 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])ccn1 ZINC001594702747 956819678 /nfs/dbraw/zinc/81/96/78/956819678.db2.gz CYXKOKFDFWIBJS-UHFFFAOYSA-N -1 0 333.325 2.419 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC001594716079 956927678 /nfs/dbraw/zinc/92/76/78/956927678.db2.gz JVCPVGDDIHBOQL-ZDUSSCGKSA-N -1 0 336.250 2.429 20 5 EEBDRM COc1cc(COC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001594059220 958078552 /nfs/dbraw/zinc/07/85/52/958078552.db2.gz YMXLLPHUWNHYIH-DTWKUNHWSA-N -1 0 341.291 2.287 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001588583500 959278404 /nfs/dbraw/zinc/27/84/04/959278404.db2.gz SBOOJQGWYKLPFE-MRVPVSSYSA-N -1 0 328.271 2.151 20 5 EEBDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC001588627271 959589955 /nfs/dbraw/zinc/58/99/55/959589955.db2.gz HEQFUONEFXEMSO-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM Cc1c(CNC(=O)c2cccc(OCC(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001594261554 959697529 /nfs/dbraw/zinc/69/75/29/959697529.db2.gz GAXAAFFSFBIVGP-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1c(Br)c(N2CC[C@H](C(=O)[O-])[C@H]2C)ncc1[N+](=O)[O-] ZINC000228013396 959980560 /nfs/dbraw/zinc/98/05/60/959980560.db2.gz BSSRWQVOECTUTJ-SFYZADRCSA-N -1 0 344.165 2.360 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC001334656310 961806105 /nfs/dbraw/zinc/80/61/05/961806105.db2.gz KFROLTPZQJQWMS-GTNSWQLSSA-N -1 0 347.371 2.354 20 5 EEBDRM O=C([O-])CCCCCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001574700274 962679348 /nfs/dbraw/zinc/67/93/48/962679348.db2.gz NDRADKBZKYPKCE-UHFFFAOYSA-N -1 0 326.324 2.428 20 5 EEBDRM COCCN(CCC(=O)[O-])c1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001574159234 962701971 /nfs/dbraw/zinc/70/19/71/962701971.db2.gz XRCFRNXRXDVNBS-UHFFFAOYSA-N -1 0 349.343 2.079 20 5 EEBDRM C[C@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H]1C(=O)[O-] ZINC001603406753 973066038 /nfs/dbraw/zinc/06/60/38/973066038.db2.gz BUSAPIHCQMACGJ-LKFCYVNXSA-N -1 0 331.328 2.401 20 5 EEBDRM C[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H]1C(=O)[O-] ZINC001603406756 973066773 /nfs/dbraw/zinc/06/67/73/973066773.db2.gz BUSAPIHCQMACGJ-YMTOWFKASA-N -1 0 331.328 2.401 20 5 EEBDRM CC[C@](C)(NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001594846927 982071381 /nfs/dbraw/zinc/07/13/81/982071381.db2.gz VBPDJXLVJZAPHL-ZDUSSCGKSA-N -1 0 332.259 2.179 20 5 EEBDRM CC[C@H](C)NC(=O)[C@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001594988268 982833255 /nfs/dbraw/zinc/83/32/55/982833255.db2.gz YKJMDAWTKZRDDD-SIPGATMPSA-N -1 0 335.360 2.408 20 5 EEBDRM C[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001599913747 985024507 /nfs/dbraw/zinc/02/45/07/985024507.db2.gz IBUBIECXKLJABZ-QOWREQOWSA-N -1 0 332.356 2.268 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCC1(F)F ZINC001594490301 985601965 /nfs/dbraw/zinc/60/19/65/985601965.db2.gz ZMVRDRSGLLIARQ-MRVPVSSYSA-N -1 0 328.271 2.410 20 5 EEBDRM C[C@H]1COC2(CCC2)CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594593623 986503363 /nfs/dbraw/zinc/50/33/63/986503363.db2.gz VGZFUOJGRKFDTG-JTQLQIEISA-N -1 0 334.328 2.077 20 5 EEBDRM C[C@H](C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001589429581 986710584 /nfs/dbraw/zinc/71/05/84/986710584.db2.gz MZKSDJORRMYVFB-VLMXXORWSA-N -1 0 332.356 2.314 20 5 EEBDRM C[C@H](C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCOCC1 ZINC001589549337 987284406 /nfs/dbraw/zinc/28/44/06/987284406.db2.gz ZWVDVAHVGQYTEB-JTQLQIEISA-N -1 0 337.328 2.399 20 5 EEBDRM CC(C)(CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(=O)[O-] ZINC001590746735 990544173 /nfs/dbraw/zinc/54/41/73/990544173.db2.gz FAXNITSRPILCPP-UHFFFAOYSA-N -1 0 334.250 2.454 20 5 EEBDRM CC(C)C(NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(C)C ZINC001591032807 991340797 /nfs/dbraw/zinc/34/07/97/991340797.db2.gz BJCGJRSIGPRBRS-UHFFFAOYSA-N -1 0 344.389 2.252 20 5 EEBDRM CN(CCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccn1 ZINC001598482512 992176062 /nfs/dbraw/zinc/17/60/62/992176062.db2.gz DEUIGAKIJCZQID-UHFFFAOYSA-N -1 0 331.332 2.021 20 5 EEBDRM C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ncc(C(=O)[O-])s1 ZINC001593246677 994456814 /nfs/dbraw/zinc/45/68/14/994456814.db2.gz NPJWNVNTCLQIJY-KCJUWKMLSA-N -1 0 337.357 2.134 20 5 EEBDRM C[C@](O)(CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001593417469 995205825 /nfs/dbraw/zinc/20/58/25/995205825.db2.gz VIHZESGTBLOYRV-HNNXBMFYSA-N -1 0 335.291 2.147 20 5 EEBDRM COC(=O)[C@H]1CC12CCN(c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])CC2 ZINC001598764795 995817619 /nfs/dbraw/zinc/81/76/19/995817619.db2.gz KZCYFLORMNEHKG-GFCCVEGCSA-N -1 0 348.355 2.381 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC001599196464 997225470 /nfs/dbraw/zinc/22/54/70/997225470.db2.gz ZSOSTAHRTCEAIE-MRXNPFEDSA-N -1 0 331.328 2.213 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001594156587 998571125 /nfs/dbraw/zinc/57/11/25/998571125.db2.gz NHOYVJUDFUMJEZ-NXEZZACHSA-N -1 0 344.327 2.470 20 5 EEBDRM C[C@H]1C[C@H]1c1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC001594277725 999074372 /nfs/dbraw/zinc/07/43/72/999074372.db2.gz RQJHYNPOCRVPDA-WRWORJQWSA-N -1 0 330.300 2.392 20 5 EEBDRM CO[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C1CC1 ZINC001599050106 999181396 /nfs/dbraw/zinc/18/13/96/999181396.db2.gz RGYPWOLKIZYNAF-ZDUSSCGKSA-N -1 0 337.332 2.148 20 5 EEBDRM COc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000738033557 577997084 /nfs/dbraw/zinc/99/70/84/577997084.db2.gz MOCQTPJDDBSROK-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM CSc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1[N+](=O)[O-] ZINC000261920613 201200571 /nfs/dbraw/zinc/20/05/71/201200571.db2.gz HYAIDTRKZYLMLA-ZDUSSCGKSA-N -1 0 342.398 2.007 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC000346151532 296104381 /nfs/dbraw/zinc/10/43/81/296104381.db2.gz ODMNFWOVCVYBGP-SECBINFHSA-N -1 0 344.327 2.282 20 5 EEBDRM O=C([O-])C1(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCSCC1 ZINC000262059226 244782181 /nfs/dbraw/zinc/78/21/81/244782181.db2.gz AYVCKMSWWBKBHZ-UHFFFAOYSA-N -1 0 349.368 2.156 20 5 EEBDRM CCN(CC(=O)[O-])C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000262501253 245006186 /nfs/dbraw/zinc/00/61/86/245006186.db2.gz ZEAGRDPMVGSPJU-UHFFFAOYSA-N -1 0 349.112 2.043 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCCC(=O)[O-] ZINC000427748317 296208582 /nfs/dbraw/zinc/20/85/82/296208582.db2.gz NMZQOYRBPMPUOE-SECBINFHSA-N -1 0 344.751 2.339 20 5 EEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000095393828 218325541 /nfs/dbraw/zinc/32/55/41/218325541.db2.gz ZYRVVECKOQNPED-UHFFFAOYSA-N -1 0 332.341 2.413 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000193035723 533071023 /nfs/dbraw/zinc/07/10/23/533071023.db2.gz WJRBLOXTCAWLRU-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)o1 ZINC000354204576 208645398 /nfs/dbraw/zinc/64/53/98/208645398.db2.gz CVJWMPWQTGUERM-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000270438944 256135749 /nfs/dbraw/zinc/13/57/49/256135749.db2.gz YTWATXIOPYAIMY-UHFFFAOYSA-N -1 0 325.321 2.106 20 5 EEBDRM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266236977 292066493 /nfs/dbraw/zinc/06/64/93/292066493.db2.gz VLTOACQQUHJXFQ-SECBINFHSA-N -1 0 334.369 2.216 20 5 EEBDRM Cc1c(Br)c(N(C)C[C@@H](C)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000165661807 143819076 /nfs/dbraw/zinc/81/90/76/143819076.db2.gz URBGIECMQRBIKM-ZCFIWIBFSA-N -1 0 332.154 2.218 20 5 EEBDRM CCCC[C@@H](NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262475409 152282805 /nfs/dbraw/zinc/28/28/05/152282805.db2.gz JOTHUEAIZISYOS-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1oc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000262952380 152345135 /nfs/dbraw/zinc/34/51/35/152345135.db2.gz IXSHYKLZBPYYMT-UHFFFAOYSA-N -1 0 347.327 2.313 20 5 EEBDRM COc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000261674459 160406847 /nfs/dbraw/zinc/40/68/47/160406847.db2.gz MAMGRUQNRYLSHW-GFCCVEGCSA-N -1 0 336.344 2.463 20 5 EEBDRM CCc1noc2ncc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc12 ZINC000185566359 160041075 /nfs/dbraw/zinc/04/10/75/160041075.db2.gz JEQYDVDQAMQYJX-UHFFFAOYSA-N -1 0 348.340 2.494 20 5 EEBDRM Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000237605113 160223408 /nfs/dbraw/zinc/22/34/08/160223408.db2.gz BOJUABDDTLDBCE-AWEZNQCLSA-N -1 0 328.324 2.329 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000237942275 160226423 /nfs/dbraw/zinc/22/64/23/160226423.db2.gz FEMBYPCXEUKDDQ-HNNXBMFYSA-N -1 0 328.324 2.470 20 5 EEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000345681605 161322352 /nfs/dbraw/zinc/32/23/52/161322352.db2.gz DNQVGCJJZMACER-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM COc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000345684690 161322696 /nfs/dbraw/zinc/32/26/96/161322696.db2.gz SGXBVOCQDUASQE-UHFFFAOYSA-N -1 0 338.341 2.413 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000345755984 161329213 /nfs/dbraw/zinc/32/92/13/161329213.db2.gz XVERDZKFXCSZNE-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM O=C([O-])c1cccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000345850459 161337378 /nfs/dbraw/zinc/33/73/78/161337378.db2.gz VWJDZRJHJISDNW-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM COC(=O)c1cccc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000352137622 162081652 /nfs/dbraw/zinc/08/16/52/162081652.db2.gz OSRKYLBHMXJXBF-UHFFFAOYSA-N -1 0 344.323 2.060 20 5 EEBDRM COc1cc(O)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000355811130 163309866 /nfs/dbraw/zinc/30/98/66/163309866.db2.gz AMVKUEKMOALYFN-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM CCOC(=O)C1CCC(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272534092 268988634 /nfs/dbraw/zinc/98/86/34/268988634.db2.gz ITVOEQXPWVSNHG-UHFFFAOYSA-N -1 0 336.344 2.152 20 5 EEBDRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274958311 269079521 /nfs/dbraw/zinc/07/95/21/269079521.db2.gz BEXAKJASDGFLKH-TVQRCGJNSA-N -1 0 344.389 2.023 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290859339 275246872 /nfs/dbraw/zinc/24/68/72/275246872.db2.gz AFTASDGMXMOQJC-NSHDSACASA-N -1 0 336.735 2.238 20 5 EEBDRM CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H](c2ccccc2)C1 ZINC000184623534 290031290 /nfs/dbraw/zinc/03/12/90/290031290.db2.gz JKGUDTVNPKAZJX-MRXNPFEDSA-N -1 0 341.367 2.429 20 5 EEBDRM Cc1nccn1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000077222777 293645944 /nfs/dbraw/zinc/64/59/44/293645944.db2.gz NPCYWNUXEAWGJI-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM O=C([N-]OC1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297784008 294340037 /nfs/dbraw/zinc/34/00/37/294340037.db2.gz AFMZRDSKRSWECS-UHFFFAOYSA-N -1 0 327.724 2.177 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000355499276 301012720 /nfs/dbraw/zinc/01/27/20/301012720.db2.gz VYOQAWXBQGERIF-VIFPVBQESA-N -1 0 342.373 2.022 20 5 EEBDRM CCc1nn(C)c(N2CCc3c(cccc3C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000325640452 311602703 /nfs/dbraw/zinc/60/27/03/311602703.db2.gz ZPOPCOGJDABCGF-UHFFFAOYSA-N -1 0 330.344 2.152 20 5 EEBDRM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000391649167 312440151 /nfs/dbraw/zinc/44/01/51/312440151.db2.gz DHYGYWFUAHGJHI-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM O=C(c1ccc(F)cc1[O-])N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436610208 314980033 /nfs/dbraw/zinc/98/00/33/314980033.db2.gz MWCWDJUHFYAHPG-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM CN(C)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436946534 315014848 /nfs/dbraw/zinc/01/48/48/315014848.db2.gz BJWFBLCCCOLNFW-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM COc1ccc([C@H](CO)N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436962348 315017175 /nfs/dbraw/zinc/01/71/75/315017175.db2.gz WUVLWLBJLWTEGM-HNNXBMFYSA-N -1 0 346.339 2.115 20 5 EEBDRM CN1C[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])Cc2ccccc21 ZINC000444538696 315306755 /nfs/dbraw/zinc/30/67/55/315306755.db2.gz CMFAKRYICRVSCH-LBPRGKRZSA-N -1 0 341.367 2.339 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000514938922 316441853 /nfs/dbraw/zinc/44/18/53/316441853.db2.gz JCLSXNVKFSVWKM-MRXNPFEDSA-N -1 0 331.328 2.071 20 5 EEBDRM COc1cc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC000515845757 316520911 /nfs/dbraw/zinc/52/09/11/316520911.db2.gz ROCCCIZEMMFPKY-SKDRFNHKSA-N -1 0 336.344 2.095 20 5 EEBDRM COc1cccnc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000532440938 317865405 /nfs/dbraw/zinc/86/54/05/317865405.db2.gz JKAJRUBQQKPGTP-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM COc1cccc(COCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000537773449 318026891 /nfs/dbraw/zinc/02/68/91/318026891.db2.gz XUSDVBNROZEPDB-UHFFFAOYSA-N -1 0 332.312 2.464 20 5 EEBDRM CCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000542783408 318139569 /nfs/dbraw/zinc/13/95/69/318139569.db2.gz ZYQBGISEKYSQPJ-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM CC1(C)CC(CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000548028635 318346932 /nfs/dbraw/zinc/34/69/32/318346932.db2.gz MZXQUGQJTCTINK-UHFFFAOYSA-N -1 0 342.373 2.008 20 5 EEBDRM O=C(N[C@H]1CCO[C@@H]1C1CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563192832 318982023 /nfs/dbraw/zinc/98/20/23/318982023.db2.gz ANTCXSHUPZVKEY-GXFFZTMASA-N -1 0 326.736 2.251 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCOCC(F)(F)C1 ZINC000564729634 319105421 /nfs/dbraw/zinc/10/54/21/319105421.db2.gz GUDKZZGTIRFRDY-UHFFFAOYSA-N -1 0 336.678 2.062 20 5 EEBDRM CCC[C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566317443 319274232 /nfs/dbraw/zinc/27/42/32/319274232.db2.gz OQRURTLSLSPBOO-VIFPVBQESA-N -1 0 330.362 2.102 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCC3(CCOCC3)C2)n1 ZINC000567978743 319440358 /nfs/dbraw/zinc/44/03/58/319440358.db2.gz QJMOUHIMJJABMO-UHFFFAOYSA-N -1 0 335.360 2.393 20 5 EEBDRM CC[C@H](C)C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000570572614 319677613 /nfs/dbraw/zinc/67/76/13/319677613.db2.gz BZOFNQHGMDQGEW-AAEUAGOBSA-N -1 0 337.376 2.402 20 5 EEBDRM C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCOCC1 ZINC000573728419 319960987 /nfs/dbraw/zinc/96/09/87/319960987.db2.gz NRLWGFFLBOOHTL-QMMMGPOBSA-N -1 0 328.752 2.499 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000574572993 320037581 /nfs/dbraw/zinc/03/75/81/320037581.db2.gz OYGMQAMRHWFXKE-KOLCDFICSA-N -1 0 337.332 2.178 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000575045787 320082421 /nfs/dbraw/zinc/08/24/21/320082421.db2.gz QUDDOUZVACHJQN-NEPJUHHUSA-N -1 0 335.360 2.027 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@H]2CCN(CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000577637826 320267792 /nfs/dbraw/zinc/26/77/92/320267792.db2.gz HHHWHQJHCFEMLP-JTQLQIEISA-N -1 0 347.293 2.270 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000580196799 324014398 /nfs/dbraw/zinc/01/43/98/324014398.db2.gz CXBHFQJKBGUMKJ-ONGXEEELSA-N -1 0 331.328 2.451 20 5 EEBDRM COC1(C(F)(F)F)CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000581827407 324324372 /nfs/dbraw/zinc/32/43/72/324324372.db2.gz QCXNWFIXULOGJN-UHFFFAOYSA-N -1 0 349.265 2.236 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC(n3cnc(C(=O)[O-])c3N)CC2)c1 ZINC000582183978 324398643 /nfs/dbraw/zinc/39/86/43/324398643.db2.gz HLINMWYRBIIWDJ-UHFFFAOYSA-N -1 0 345.359 2.222 20 5 EEBDRM O=C([O-])CN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000336876761 465070547 /nfs/dbraw/zinc/07/05/47/465070547.db2.gz VARGTCFQOQQIKD-UHFFFAOYSA-N -1 0 330.296 2.091 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000339127063 465099304 /nfs/dbraw/zinc/09/93/04/465099304.db2.gz AUJDYEHSWNHLOU-TVQRCGJNSA-N -1 0 334.294 2.436 20 5 EEBDRM O=C(NCCc1ccc2n[nH]cc2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000552031659 468300756 /nfs/dbraw/zinc/30/07/56/468300756.db2.gz WLPYHVUBGJOKHG-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM CC1(C(=O)[O-])CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000062843677 462623961 /nfs/dbraw/zinc/62/39/61/462623961.db2.gz NNBNXKHXCXZHAH-UHFFFAOYSA-N -1 0 344.165 2.443 20 5 EEBDRM Cc1sc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000119138952 462878625 /nfs/dbraw/zinc/87/86/25/462878625.db2.gz IQFHRBBXFJERNU-UHFFFAOYSA-N -1 0 340.386 2.433 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000521628803 468324653 /nfs/dbraw/zinc/32/46/53/468324653.db2.gz BQDQRKSWQZBYJE-HNNXBMFYSA-N -1 0 344.367 2.485 20 5 EEBDRM Cc1nn(CCC(=O)Nc2cc(C(=O)[O-])ccc2C)c(C)c1[N+](=O)[O-] ZINC000120229614 462975593 /nfs/dbraw/zinc/97/55/93/462975593.db2.gz DVCWTPFUQNJLOO-UHFFFAOYSA-N -1 0 346.343 2.444 20 5 EEBDRM Cc1ccc(NC(=O)C(=O)NCc2ccc(O)c(F)c2)cc1[N+](=O)[O-] ZINC000120976934 463060627 /nfs/dbraw/zinc/06/06/27/463060627.db2.gz BZDCXHGVIZZWGU-UHFFFAOYSA-N -1 0 347.302 2.003 20 5 EEBDRM Cc1sc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc1C(=O)[O-] ZINC000568515197 468349634 /nfs/dbraw/zinc/34/96/34/468349634.db2.gz IEYLGWVMYAQBKA-UHFFFAOYSA-N -1 0 337.361 2.096 20 5 EEBDRM COc1ccc(OCCN(C)c2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000568515551 468350064 /nfs/dbraw/zinc/35/00/64/468350064.db2.gz WVPCLTBWTJSJKA-UHFFFAOYSA-N -1 0 347.327 2.212 20 5 EEBDRM CNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055575401 463333360 /nfs/dbraw/zinc/33/33/60/463333360.db2.gz VUPYMBNRSVVJJO-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036736382 463438715 /nfs/dbraw/zinc/43/87/15/463438715.db2.gz WUOJZWSDZZONOU-UHFFFAOYSA-N -1 0 330.753 2.389 20 5 EEBDRM O=C(NCCOc1ncccc1Cl)c1cccc([N+](=O)[O-])c1[O-] ZINC000163009025 463556945 /nfs/dbraw/zinc/55/69/45/463556945.db2.gz JRFYPVGAQTVEHB-UHFFFAOYSA-N -1 0 337.719 2.158 20 5 EEBDRM CCCCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000194806589 463932739 /nfs/dbraw/zinc/93/27/39/463932739.db2.gz WCWNZNNTVSDWMK-UHFFFAOYSA-N -1 0 326.334 2.121 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000262273490 463988904 /nfs/dbraw/zinc/98/89/04/463988904.db2.gz VHXCRGWBEIIWQV-SECBINFHSA-N -1 0 326.374 2.302 20 5 EEBDRM CCOc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262443943 464025751 /nfs/dbraw/zinc/02/57/51/464025751.db2.gz OHZHNIITYOALQV-LBPRGKRZSA-N -1 0 348.355 2.320 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000236999203 464250375 /nfs/dbraw/zinc/25/03/75/464250375.db2.gz IVCFQRIQVQSDQI-HZMBPMFUSA-N -1 0 346.343 2.010 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)c1 ZINC000175470838 464556251 /nfs/dbraw/zinc/55/62/51/464556251.db2.gz CSRAOYYSXSBRAO-UHFFFAOYSA-N -1 0 340.299 2.036 20 5 EEBDRM O=C(NCc1ccccc1[N+](=O)[O-])c1nn(-c2ccccc2)cc1[O-] ZINC000175502268 464562916 /nfs/dbraw/zinc/56/29/16/464562916.db2.gz LGSVHWQFQCYHHO-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM CN(CCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000286111021 464807474 /nfs/dbraw/zinc/80/74/74/464807474.db2.gz PHVXOTUNYAMMIW-UHFFFAOYSA-N -1 0 339.348 2.496 20 5 EEBDRM COCc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000183889985 464923506 /nfs/dbraw/zinc/92/35/06/464923506.db2.gz IUIWAGJVCPNYLS-UHFFFAOYSA-N -1 0 337.357 2.245 20 5 EEBDRM CC[C@H](COCC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000295848194 464983945 /nfs/dbraw/zinc/98/39/45/464983945.db2.gz BLMDRLBFKTUBSU-MRVPVSSYSA-N -1 0 336.266 2.388 20 5 EEBDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cs1 ZINC000253425630 465010770 /nfs/dbraw/zinc/01/07/70/465010770.db2.gz AUZAOKCXLDHZHO-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000184669600 465015664 /nfs/dbraw/zinc/01/56/64/465015664.db2.gz DPQCAJYZXAFNCA-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM CC(C)(C)CC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000362221944 465582656 /nfs/dbraw/zinc/58/26/56/465582656.db2.gz TYPNNOHQUQEPRM-JTQLQIEISA-N -1 0 344.389 2.153 20 5 EEBDRM Cn1cc([C@@H]2CSCCN2Cc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000331961218 466323578 /nfs/dbraw/zinc/32/35/78/466323578.db2.gz UYXNSFNQFWIZHL-HNNXBMFYSA-N -1 0 334.401 2.324 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)s[n-]1 ZINC000338926899 466490343 /nfs/dbraw/zinc/49/03/43/466490343.db2.gz UDMSTCBCNZYGKR-ZETCQYMHSA-N -1 0 347.356 2.309 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424070693 466971083 /nfs/dbraw/zinc/97/10/83/466971083.db2.gz SREVPAMYFLSOBJ-UHFFFAOYSA-N -1 0 328.390 2.326 20 5 EEBDRM C[C@H](CC(=O)[O-])NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000431665998 467531934 /nfs/dbraw/zinc/53/19/34/467531934.db2.gz RIFDWTRBHZYJPA-SECBINFHSA-N -1 0 342.326 2.413 20 5 EEBDRM O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436884096 467555224 /nfs/dbraw/zinc/55/52/24/467555224.db2.gz JKHUHRBVMQKJKI-UHFFFAOYSA-N -1 0 330.325 3.004 20 5 EEBDRM O=C([O-])c1cnc(NCc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 ZINC000516070400 468011793 /nfs/dbraw/zinc/01/17/93/468011793.db2.gz CQVJMLNGXGTIHF-UHFFFAOYSA-N -1 0 345.311 2.461 20 5 EEBDRM CCOC(=O)N[C@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000496265940 468129444 /nfs/dbraw/zinc/12/94/44/468129444.db2.gz PVRNADNSPKUUBF-ZDUSSCGKSA-N -1 0 340.332 2.114 20 5 EEBDRM CC(C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000578503305 468209022 /nfs/dbraw/zinc/20/90/22/468209022.db2.gz PYECPKWVQUBOLT-VIFPVBQESA-N -1 0 330.362 2.006 20 5 EEBDRM CO[C@](C)(CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC000582493193 468549425 /nfs/dbraw/zinc/54/94/25/468549425.db2.gz ZOCGMVKQXGTBFD-QGZVFWFLSA-N -1 0 345.355 2.970 20 5 EEBDRM COCCCOCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597466083 468565650 /nfs/dbraw/zinc/56/56/50/468565650.db2.gz BCORYNJGWVLPOQ-UHFFFAOYSA-N -1 0 332.740 2.336 20 5 EEBDRM C[C@@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000594528464 468615834 /nfs/dbraw/zinc/61/58/34/468615834.db2.gz LPVUHXHEWRILMV-AAEUAGOBSA-N -1 0 335.360 2.205 20 5 EEBDRM COc1cccc([C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])OC)c1 ZINC000600677657 468618645 /nfs/dbraw/zinc/61/86/45/468618645.db2.gz HWOYOXRBJOCLHM-AWEZNQCLSA-N -1 0 347.327 2.496 20 5 EEBDRM C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000600800317 468661226 /nfs/dbraw/zinc/66/12/26/468661226.db2.gz KVXLRFZMGVMQAH-GXFFZTMASA-N -1 0 347.371 2.034 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)NCCCC2CCC2)cc1[N+](=O)[O-] ZINC000594719947 468663349 /nfs/dbraw/zinc/66/33/49/468663349.db2.gz LNBDCJHZHZVQAM-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM CC[C@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000594719413 468663458 /nfs/dbraw/zinc/66/34/58/468663458.db2.gz HQQQVHNXSJUSNE-VIFPVBQESA-N -1 0 330.362 2.008 20 5 EEBDRM CS[C@H](C)CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877082 468673653 /nfs/dbraw/zinc/67/36/53/468673653.db2.gz RCELZEUMSUVREP-YMTOWFKASA-N -1 0 326.374 2.152 20 5 EEBDRM CS[C@H](C)CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877080 468673672 /nfs/dbraw/zinc/67/36/72/468673672.db2.gz RCELZEUMSUVREP-OTYXRUKQSA-N -1 0 326.374 2.152 20 5 EEBDRM Cc1ccoc1CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600881720 468674461 /nfs/dbraw/zinc/67/44/61/468674461.db2.gz PKOPRTKLHYVBOU-INIZCTEOSA-N -1 0 332.312 2.155 20 5 EEBDRM CN(C)c1cccc(CN(C)c2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000583567036 468718220 /nfs/dbraw/zinc/71/82/20/468718220.db2.gz FJCBSPLGSBSTMH-UHFFFAOYSA-N -1 0 330.344 2.390 20 5 EEBDRM Cc1cc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC000583973269 468779090 /nfs/dbraw/zinc/77/90/90/468779090.db2.gz OGSSDJJIKRNUTK-UHFFFAOYSA-N -1 0 344.323 2.410 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCc2ncncc2C1 ZINC000592783710 468784941 /nfs/dbraw/zinc/78/49/41/468784941.db2.gz PHLFSDKWKBIUAP-QMMMGPOBSA-N -1 0 348.746 2.487 20 5 EEBDRM CC(C)Cc1nc(=NC(=O)COc2ccccc2[N+](=O)[O-])s[n-]1 ZINC000598191087 468789991 /nfs/dbraw/zinc/78/99/91/468789991.db2.gz LJYAVHWRBRIJIC-UHFFFAOYSA-N -1 0 336.373 2.084 20 5 EEBDRM CC(C)[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccnn1C ZINC000592978453 468833110 /nfs/dbraw/zinc/83/31/10/468833110.db2.gz GCCHDFIMUWURQI-NSHDSACASA-N -1 0 333.348 2.273 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c1 ZINC000598662056 468950193 /nfs/dbraw/zinc/95/01/93/468950193.db2.gz NUPKKSWCMGBHEP-GTNSWQLSSA-N -1 0 348.355 2.320 20 5 EEBDRM Cc1cc(N2CCC(n3cc(C(=O)[O-])nn3)CC2)ccc1[N+](=O)[O-] ZINC000572648681 468965546 /nfs/dbraw/zinc/96/55/46/468965546.db2.gz NEAPKXBJPKVOJH-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM CNc1c(C(=O)N=c2nc(CC(C)C)[n-]s2)cccc1[N+](=O)[O-] ZINC000598771170 468998193 /nfs/dbraw/zinc/99/81/93/468998193.db2.gz SDUHFPAENZKZGQ-UHFFFAOYSA-N -1 0 335.389 2.361 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CC(=O)[O-])CC(C)(C)C ZINC000595884968 469063386 /nfs/dbraw/zinc/06/33/86/469063386.db2.gz CWSYAFVENBTSPS-UHFFFAOYSA-N -1 0 337.376 2.274 20 5 EEBDRM O=C(Nc1cc2n(n1)CCCC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565023779 469265657 /nfs/dbraw/zinc/26/56/57/469265657.db2.gz GJYJDZQOILDCIC-UHFFFAOYSA-N -1 0 336.735 2.739 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1F ZINC000611567665 469281956 /nfs/dbraw/zinc/28/19/56/469281956.db2.gz FKUMJXXIWYOMIA-CQSZACIVSA-N -1 0 348.286 2.084 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1F ZINC000613985537 469826890 /nfs/dbraw/zinc/82/68/90/469826890.db2.gz SEULHINHIKMLGO-AWEZNQCLSA-N -1 0 348.286 2.084 20 5 EEBDRM COC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000737748040 576037542 /nfs/dbraw/zinc/03/75/42/576037542.db2.gz QGBSLQXPVIGGRX-HNNXBMFYSA-N -1 0 344.323 2.411 20 5 EEBDRM O=C(NCc1nnc(-c2ccccc2)[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000726798874 576301037 /nfs/dbraw/zinc/30/10/37/576301037.db2.gz OFDRLDXFXDIWMN-UHFFFAOYSA-N -1 0 339.311 2.016 20 5 EEBDRM Cc1nn(C)c(NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])c1[N+](=O)[O-] ZINC000738708584 577151522 /nfs/dbraw/zinc/15/15/22/577151522.db2.gz YVJTVCRAYWYOQX-CYBMUJFWSA-N -1 0 332.360 2.301 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](O)c1cccc(F)c1 ZINC000773434100 577342082 /nfs/dbraw/zinc/34/20/82/577342082.db2.gz QNCWVGBUNUKEKF-BJOHPYRUSA-N -1 0 334.303 2.291 20 5 EEBDRM CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000774083195 577382193 /nfs/dbraw/zinc/38/21/93/577382193.db2.gz MFXWWOKEVMYYJH-SECBINFHSA-N -1 0 332.403 2.288 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000774286247 577393437 /nfs/dbraw/zinc/39/34/37/577393437.db2.gz WVUFZPUZVJZUPD-UHFFFAOYSA-N -1 0 344.364 2.010 20 5 EEBDRM Cc1noc2ncc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc12 ZINC000768890356 577565151 /nfs/dbraw/zinc/56/51/51/577565151.db2.gz WBNORVDMOBEURW-UHFFFAOYSA-N -1 0 340.342 2.302 20 5 EEBDRM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769464937 577578423 /nfs/dbraw/zinc/57/84/23/577578423.db2.gz FIJJUQGVPSOBNP-UHFFFAOYSA-N -1 0 346.299 2.051 20 5 EEBDRM O=C(NCc1ccc(-n2ccnc2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000770415917 577595855 /nfs/dbraw/zinc/59/58/55/577595855.db2.gz HTNDBBVPXPMOKB-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000759111823 577637253 /nfs/dbraw/zinc/63/72/53/577637253.db2.gz QFUOZPXOKOCWOL-UHFFFAOYSA-N -1 0 334.250 2.095 20 5 EEBDRM C[C@@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000753799790 577793912 /nfs/dbraw/zinc/79/39/12/577793912.db2.gz TVZZEVWXAATWNT-NASPGAHYSA-N -1 0 338.385 2.287 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000755528958 577826377 /nfs/dbraw/zinc/82/63/77/577826377.db2.gz AJPGEYVPAQQLGJ-PSLIRLAXSA-N -1 0 334.303 2.291 20 5 EEBDRM Cc1cccc(N(CC(=O)[O-])C(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000738722742 578024944 /nfs/dbraw/zinc/02/49/44/578024944.db2.gz NBQSCTDDNXBAPF-UHFFFAOYSA-N -1 0 329.312 2.338 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OS(=O)(=O)C2CCCCC2)c1 ZINC000740186335 578084633 /nfs/dbraw/zinc/08/46/33/578084633.db2.gz KCSCQGYCXKALCU-UHFFFAOYSA-N -1 0 329.330 2.334 20 5 EEBDRM C[C@@H](CSc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736618413 578214157 /nfs/dbraw/zinc/21/41/57/578214157.db2.gz PGZBQFYNLCRPLT-VIFPVBQESA-N -1 0 349.368 2.372 20 5 EEBDRM C[C@@H](O)C[C@@H](C)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736678999 578217707 /nfs/dbraw/zinc/21/77/07/578217707.db2.gz YKVNGWBQDJPHCJ-HTQZYQBOSA-N -1 0 327.293 2.020 20 5 EEBDRM CN(C(=O)[O-])c1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000737329569 578250674 /nfs/dbraw/zinc/25/06/74/578250674.db2.gz NRNRXQMWJCSAJK-UHFFFAOYSA-N -1 0 347.331 2.279 20 5 EEBDRM C[C@H](CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC1)C(=O)[O-] ZINC000262081573 599929738 /nfs/dbraw/zinc/92/97/38/599929738.db2.gz BLILNUBJCDPJHW-SECBINFHSA-N -1 0 331.328 2.401 20 5 EEBDRM CC(C)C[C@@H](CCO)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000826763932 601384774 /nfs/dbraw/zinc/38/47/74/601384774.db2.gz LWIYONAOQQQDGG-LLVKDONJSA-N -1 0 338.360 2.068 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000830398997 601406564 /nfs/dbraw/zinc/40/65/64/601406564.db2.gz ZRFCXLQDDXGBPT-UHFFFAOYSA-N -1 0 344.121 2.456 20 5 EEBDRM O=C([O-])c1ccc(OCc2ccc(-n3ccnc3)nc2)c([N+](=O)[O-])c1 ZINC000833322939 601478062 /nfs/dbraw/zinc/47/80/62/601478062.db2.gz XUAJJXBGDDNKMX-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000833119089 601742377 /nfs/dbraw/zinc/74/23/77/601742377.db2.gz WSIDZSBOZWFWMX-OAHLLOKOSA-N -1 0 332.287 2.219 20 5 EEBDRM COC(=O)CC1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000831145309 602314770 /nfs/dbraw/zinc/31/47/70/602314770.db2.gz YELPLTBYQQGBPU-UHFFFAOYSA-N -1 0 336.344 2.381 20 5 EEBDRM O=C([O-])CCc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2F)n1 ZINC000833240345 604394816 /nfs/dbraw/zinc/39/48/16/604394816.db2.gz HTZORFNHNKYRTJ-UHFFFAOYSA-N -1 0 339.304 2.460 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000827010288 604451445 /nfs/dbraw/zinc/45/14/45/604451445.db2.gz DEOHQOPNPMDDTR-GFCCVEGCSA-N -1 0 344.751 2.198 20 5 EEBDRM CCCc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n(C)n1 ZINC000120112467 674632577 /nfs/dbraw/zinc/63/25/77/674632577.db2.gz CVNUSCFZPGIKCP-UHFFFAOYSA-N -1 0 330.391 2.143 20 5 EEBDRM C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000263358771 689722543 /nfs/dbraw/zinc/72/25/43/689722543.db2.gz RMKUPYQTROUPTP-NTZNESFSSA-N -1 0 335.360 2.408 20 5 EEBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879763680 1201246765 /nfs/dbraw/zinc/24/67/65/1201246765.db2.gz GSYDZNAFCSQSHF-ZDUSSCGKSA-N -1 0 349.284 2.377 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C)n1 ZINC000130465755 1201972818 /nfs/dbraw/zinc/97/28/18/1201972818.db2.gz ISVMSBXGLHJTTE-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000132326205 1202097843 /nfs/dbraw/zinc/09/78/43/1202097843.db2.gz XADRHVZOMSWHRG-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM COC(=O)CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000779666324 1210737343 /nfs/dbraw/zinc/73/73/43/1210737343.db2.gz RASNBACUBBGZKZ-UHFFFAOYSA-N -1 0 330.296 2.120 20 5 EEBDRM CC1(C)CC(C(=O)NC[C@H]2C[C@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)C1 ZINC001046804946 1235204256 /nfs/dbraw/zinc/20/42/56/1235204256.db2.gz CTSIYBNZXHZDMU-UMSPYCQHSA-N -1 0 348.403 2.438 20 5 EEBDRM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850887991 1277381264 /nfs/dbraw/zinc/38/12/64/1277381264.db2.gz FKVSNYWKSUKVCK-UWVGGRQHSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850889733 1277382769 /nfs/dbraw/zinc/38/27/69/1277382769.db2.gz YFCAFPKEPKUWRT-NXEZZACHSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC12CCCC2 ZINC000850889711 1277382975 /nfs/dbraw/zinc/38/29/75/1277382975.db2.gz XODLLGDXNWCUMC-SNVBAGLBSA-N -1 0 342.348 2.119 20 5 EEBDRM C[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000853030261 1292259326 /nfs/dbraw/zinc/25/93/26/1292259326.db2.gz UHZAAFWULBWXOV-BJOHPYRUSA-N -1 0 344.314 2.471 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cnn(CCF)c2)cc([N+](=O)[O-])c1F ZINC000863421972 1296274733 /nfs/dbraw/zinc/27/47/33/1296274733.db2.gz LBGLWINCEDTDSC-UHFFFAOYSA-N -1 0 346.315 2.009 20 5 EEBDRM O=C1C[C@@H](Oc2cc([O-])ccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC001225491586 1301022975 /nfs/dbraw/zinc/02/29/75/1301022975.db2.gz RHANWQDFKNRMKY-OAHLLOKOSA-N -1 0 342.307 2.007 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H]2CCc3c2cccc3C)c1[N+](=O)[O-] ZINC001226651207 1301494728 /nfs/dbraw/zinc/49/47/28/1301494728.db2.gz DGZVIKBWOGLENL-NSHDSACASA-N -1 0 345.311 2.252 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CCc3ccc(C)cc32)c1[N+](=O)[O-] ZINC001226653502 1301496058 /nfs/dbraw/zinc/49/60/58/1301496058.db2.gz WDHAQYBMVIMPKR-LLVKDONJSA-N -1 0 345.311 2.252 20 5 EEBDRM CC[C@@H](Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-])c1ccccc1 ZINC001226653252 1301496211 /nfs/dbraw/zinc/49/62/11/1301496211.db2.gz SUYJLINSEGEKPV-SNVBAGLBSA-N -1 0 333.300 2.407 20 5 EEBDRM COC(C[C@@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-])OC ZINC001228858102 1302485512 /nfs/dbraw/zinc/48/55/12/1302485512.db2.gz CGUVSBQZSCUVDD-ZCFIWIBFSA-N -1 0 340.254 2.491 20 5 EEBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@H](C[N+](=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC001228858657 1302487004 /nfs/dbraw/zinc/48/70/04/1302487004.db2.gz FKYQXAXLRHDSCM-SSDOTTSWSA-N -1 0 337.210 2.148 20 5 EEBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@@H]2CCOC[C@@H]2F)c1[N+](=O)[O-] ZINC001228860447 1302488509 /nfs/dbraw/zinc/48/85/09/1302488509.db2.gz UVEASFGDTOBGFT-CAHLUQPWSA-N -1 0 326.202 2.220 20 5 EEBDRM O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC001230940902 1303555540 /nfs/dbraw/zinc/55/55/40/1303555540.db2.gz GGODHOFLASEBBG-OAHLLOKOSA-N -1 0 345.307 2.393 20 5 EEBDRM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231071152 1303610099 /nfs/dbraw/zinc/61/00/99/1303610099.db2.gz FHLWVSXTGFFZBK-HTQZYQBOSA-N -1 0 345.739 2.245 20 5 EEBDRM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCO2 ZINC000781115315 1303742521 /nfs/dbraw/zinc/74/25/21/1303742521.db2.gz MPCJLTZKHCYYLZ-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000796962994 1304609305 /nfs/dbraw/zinc/60/93/05/1304609305.db2.gz IOQCJJAASUFDDT-UHFFFAOYSA-N -1 0 340.401 2.261 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000835029489 1314894430 /nfs/dbraw/zinc/89/44/30/1314894430.db2.gz UKMUSJJURSZNEX-UHFFFAOYSA-N -1 0 326.374 2.226 20 5 EEBDRM CCOC(=O)C(C)(C)CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837730259 1315106028 /nfs/dbraw/zinc/10/60/28/1315106028.db2.gz QQRWKLZJBRHRNY-UHFFFAOYSA-N -1 0 325.317 2.323 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000842403338 1315697470 /nfs/dbraw/zinc/69/74/70/1315697470.db2.gz BAXMGRFXUITSRL-JQWIXIFHSA-N -1 0 340.401 2.285 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000842406278 1315698476 /nfs/dbraw/zinc/69/84/76/1315698476.db2.gz RTRXIEBRFFXEMS-SNVBAGLBSA-N -1 0 340.401 2.285 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)NC(C)(C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000843325570 1315891816 /nfs/dbraw/zinc/89/18/16/1315891816.db2.gz PUATWCLMSYYMBS-UHFFFAOYSA-N -1 0 339.304 2.185 20 5 EEBDRM COc1ccc(Nc2cc([N+](=O)[O-])cnc2C)c(S(=O)(=O)[O-])c1 ZINC001249546024 1317113576 /nfs/dbraw/zinc/11/35/76/1317113576.db2.gz UUOADMCSADZHPP-UHFFFAOYSA-N -1 0 339.329 2.297 20 5 EEBDRM COc1ccc(Cc2nnc(-c3cnc([N+](=O)[O-])c([O-])c3)o2)cc1 ZINC001254790921 1318188839 /nfs/dbraw/zinc/18/88/39/1318188839.db2.gz YRDITVSJCPSLQX-UHFFFAOYSA-N -1 0 328.284 2.345 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1 ZINC001608661237 1351736854 /nfs/dbraw/zinc/73/68/54/1351736854.db2.gz PQZYSXSTTLFUCH-ALCCZGGFSA-N -1 0 333.344 2.117 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@H](CO)c2cccnc2)c([N+](=O)[O-])c1 ZINC001608661272 1351736862 /nfs/dbraw/zinc/73/68/62/1351736862.db2.gz QPFQCGCGHVEVTE-YVARQFDVSA-N -1 0 329.312 2.233 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC001608673135 1351739211 /nfs/dbraw/zinc/73/92/11/1351739211.db2.gz XZWSJFHDTHWRRS-CYBMUJFWSA-N -1 0 333.275 2.075 20 5 EEBDRM O=C([O-])C[C@H](O)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001608676755 1351739756 /nfs/dbraw/zinc/73/97/56/1351739756.db2.gz AKJRGQPPGRKBGK-ZDUSSCGKSA-N -1 0 344.323 2.073 20 5 EEBDRM O=C([O-])CC1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001608679159 1351740100 /nfs/dbraw/zinc/74/01/00/1351740100.db2.gz HXNCTYRBJILFKT-UHFFFAOYSA-N -1 0 349.387 2.472 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2C[C@@H](O)CC(F)(F)C2)ccc1[N+](=O)[O-] ZINC001608830304 1351773431 /nfs/dbraw/zinc/77/34/31/1351773431.db2.gz JNQBPKRNIGFGHM-LURJTMIESA-N -1 0 336.678 2.153 20 5 EEBDRM COC(=O)[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001319927110 1332798663 /nfs/dbraw/zinc/79/86/63/1332798663.db2.gz HMULBKJMXXIBKS-KRWDZBQOSA-N -1 0 344.323 2.119 20 5 EEBDRM O=C([O-])c1nsc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC001609004612 1351812449 /nfs/dbraw/zinc/81/24/49/1351812449.db2.gz PCLKEQDRHVXJCZ-UHFFFAOYSA-N -1 0 348.340 2.205 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001326442603 1334094858 /nfs/dbraw/zinc/09/48/58/1334094858.db2.gz UHVKVNSTICCVGN-UHIISALHSA-N -1 0 336.369 2.002 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)[O-] ZINC001609899275 1352114130 /nfs/dbraw/zinc/11/41/30/1352114130.db2.gz BMOPNBKKHCWCBN-YGRLFVJLSA-N -1 0 346.343 2.010 20 5 EEBDRM CCc1csc(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001610069574 1352155042 /nfs/dbraw/zinc/15/50/42/1352155042.db2.gz NDTMQRUTLQZPDX-UHFFFAOYSA-N -1 0 335.341 2.493 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001610104467 1352162723 /nfs/dbraw/zinc/16/27/23/1352162723.db2.gz ZDAGJZWYRPQYNQ-UHFFFAOYSA-N -1 0 345.311 2.111 20 5 EEBDRM COC(=O)Nc1cccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001610189506 1352181778 /nfs/dbraw/zinc/18/17/78/1352181778.db2.gz BLFAFYPNSOMUOS-UHFFFAOYSA-N -1 0 346.299 2.478 20 5 EEBDRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892643 1338365731 /nfs/dbraw/zinc/36/57/31/1338365731.db2.gz GYEYZSVDJDJIDL-LLVKDONJSA-N -1 0 343.405 2.401 20 5 EEBDRM COc1cccc(C(=O)[O-])c1OC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001610352747 1352209355 /nfs/dbraw/zinc/20/93/55/1352209355.db2.gz PYJYMLGPDBYNSW-CYBMUJFWSA-N -1 0 333.296 2.414 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1-c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC001610596033 1352251224 /nfs/dbraw/zinc/25/12/24/1352251224.db2.gz JAJZVRPEULLRCD-UHFFFAOYSA-N -1 0 328.284 2.272 20 5 EEBDRM O=C([O-])c1ccccc1OC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001610853581 1352285994 /nfs/dbraw/zinc/28/59/94/1352285994.db2.gz XFBZIJKKGRNUDC-LBPRGKRZSA-N -1 0 333.296 2.112 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001610864960 1352287366 /nfs/dbraw/zinc/28/73/66/1352287366.db2.gz RAFGFKTUEPCPOP-UHFFFAOYSA-N -1 0 326.648 2.291 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])o1 ZINC001610840009 1352283325 /nfs/dbraw/zinc/28/33/25/1352283325.db2.gz HBMXTCCDVOUERS-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM C=C/C=C/CCn1cc(-c2nnn[n-]2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001588530538 1348913818 /nfs/dbraw/zinc/91/38/18/1348913818.db2.gz OJJFNDWKLWYEBW-ONEGZZNKSA-N -1 0 338.327 2.222 20 5 EEBDRM COc1cccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001599687122 1349948231 /nfs/dbraw/zinc/94/82/31/1349948231.db2.gz UYNFIOWCWYWNID-AWEZNQCLSA-N -1 0 330.296 2.159 20 5 EEBDRM Cc1c(CC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cccc1[N+](=O)[O-] ZINC001600011888 1349954964 /nfs/dbraw/zinc/95/49/64/1349954964.db2.gz TYMXTZYHENQNRC-SYQHCUMBSA-N -1 0 332.356 2.061 20 5 EEBDRM Cc1c(CNC(=O)c2ccc(OCC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC001600012052 1349955166 /nfs/dbraw/zinc/95/51/66/1349955166.db2.gz QXIAGBPSPHEBHX-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cnn1CC(=O)[O-] ZINC001600027904 1349957617 /nfs/dbraw/zinc/95/76/17/1349957617.db2.gz NUWYNFJKUFJUDF-UHFFFAOYSA-N -1 0 346.343 2.101 20 5 EEBDRM Cc1c(NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc(Br)c1C(=O)[O-] ZINC001600046467 1349961477 /nfs/dbraw/zinc/96/14/77/1349961477.db2.gz DPUZOHQLOHKSGA-HZGVNTEJSA-N -1 0 343.133 2.059 20 5 EEBDRM Cc1c(NC(=O)c2cc(C3CC3)nn2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600045312 1349961541 /nfs/dbraw/zinc/96/15/41/1349961541.db2.gz DUENIPCNXPERNX-UHFFFAOYSA-N -1 0 344.327 2.465 20 5 EEBDRM Cc1cc(OCC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)ccc1[N+](=O)[O-] ZINC001600288127 1350011553 /nfs/dbraw/zinc/01/15/53/1350011553.db2.gz SXEYVHJVTHSLSR-PBHICJAKSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001600304863 1350015625 /nfs/dbraw/zinc/01/56/25/1350015625.db2.gz QMKDSPJBMAAPPB-GFCCVEGCSA-N -1 0 344.327 2.063 20 5 EEBDRM Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001600335527 1350023383 /nfs/dbraw/zinc/02/33/83/1350023383.db2.gz PJFNPLOPSBXLJD-QGZVFWFLSA-N -1 0 343.339 2.336 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001600555287 1350081483 /nfs/dbraw/zinc/08/14/83/1350081483.db2.gz ONWCJQGGACVYFW-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1ccccc1[C@H](C(=O)[O-])N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC001600569958 1350085831 /nfs/dbraw/zinc/08/58/31/1350085831.db2.gz XHMWCSCOGWIVOM-MRXNPFEDSA-N -1 0 327.340 2.482 20 5 EEBDRM Cn1c2ncccc2c(NC(=O)c2csc([N+](=O)[O-])c2)c1C(=O)[O-] ZINC001600900958 1350163340 /nfs/dbraw/zinc/16/33/40/1350163340.db2.gz UKRUMZHGBKCJDY-UHFFFAOYSA-N -1 0 346.324 2.494 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])n1 ZINC001600969400 1350179336 /nfs/dbraw/zinc/17/93/36/1350179336.db2.gz HBXCBQQXVILJES-UHFFFAOYSA-N -1 0 336.329 2.218 20 5 EEBDRM Nc1c(C(=O)Nc2ccc(C(=O)[O-])s2)cc(F)cc1[N+](=O)[O-] ZINC001601208218 1350231287 /nfs/dbraw/zinc/23/12/87/1350231287.db2.gz JCMRCWMDFDQLET-UHFFFAOYSA-N -1 0 325.277 2.328 20 5 EEBDRM Nc1ccc(C(=O)OCc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC001601215110 1350232993 /nfs/dbraw/zinc/23/29/93/1350232993.db2.gz VYUJBNLNWVKVOC-UHFFFAOYSA-N -1 0 330.296 2.161 20 5 EEBDRM O=C([O-])c1cnc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)s1 ZINC001601349400 1350263342 /nfs/dbraw/zinc/26/33/42/1350263342.db2.gz VXZSXHAFRFIOPS-UHFFFAOYSA-N -1 0 339.354 2.480 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001601464697 1350289816 /nfs/dbraw/zinc/28/98/16/1350289816.db2.gz INUMEKRZDQWKHY-NSHDSACASA-N -1 0 334.353 2.330 20 5 EEBDRM O=C([O-])[C@@H](c1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001601698582 1350342127 /nfs/dbraw/zinc/34/21/27/1350342127.db2.gz MACQWTBUMBGGBL-CYBMUJFWSA-N -1 0 339.300 2.334 20 5 EEBDRM O=C([O-])C1=CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001601736360 1350351533 /nfs/dbraw/zinc/35/15/33/1350351533.db2.gz XVPVXKJUZWZQKQ-JTQLQIEISA-N -1 0 327.296 2.046 20 5 EEBDRM O=C([O-])C1=NO[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3C(F)F)C2)C1 ZINC001601744911 1350353630 /nfs/dbraw/zinc/35/36/30/1350353630.db2.gz SGGXLABUTZBXHC-AWEZNQCLSA-N -1 0 341.270 2.342 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@@H]1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001601812131 1350370025 /nfs/dbraw/zinc/37/00/25/1350370025.db2.gz FYFHXHJNAVTACP-MFKMUULPSA-N -1 0 327.358 2.260 20 5 EEBDRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001602172023 1350456894 /nfs/dbraw/zinc/45/68/94/1350456894.db2.gz CGYLRTSOSQRVPJ-JTQLQIEISA-N -1 0 339.254 2.011 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](O)COc2ccccc2)c1 ZINC001602405295 1350512034 /nfs/dbraw/zinc/51/20/34/1350512034.db2.gz QNWRUTXPUFNAPM-GFCCVEGCSA-N -1 0 332.312 2.145 20 5 EEBDRM O=C([O-])c1ccc2c(n1)CN(c1c3c(ccc1[N+](=O)[O-])NCC3)CC2 ZINC001602429536 1350517431 /nfs/dbraw/zinc/51/74/31/1350517431.db2.gz GZIKMONPRQMQBP-UHFFFAOYSA-N -1 0 340.339 2.219 20 5 EEBDRM O=C([O-])c1cnc(NCC(F)(F)Br)c([N+](=O)[O-])c1 ZINC001602529220 1350539492 /nfs/dbraw/zinc/53/94/92/1350539492.db2.gz DLQBGQAUJJMBGO-UHFFFAOYSA-N -1 0 326.053 2.088 20 5 EEBDRM O=C([O-])c1nn(Cc2cccc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001602586286 1350551738 /nfs/dbraw/zinc/55/17/38/1350551738.db2.gz QBZVFJCUVJOUGT-UHFFFAOYSA-N -1 0 345.233 2.479 20 5 EEBDRM O=C([O-])c1sccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001602596994 1350553970 /nfs/dbraw/zinc/55/39/70/1350553970.db2.gz IDKGEDBMUSSMDG-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM C/C(=C\C(=O)N[C@@]1(CC(=O)[O-])CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001602953563 1350609811 /nfs/dbraw/zinc/60/98/11/1350609811.db2.gz SEECOCYYLHFISR-XLNAKTSKSA-N -1 0 348.355 2.138 20 5 EEBDRM CC(F)(F)CCC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604249900 1350902342 /nfs/dbraw/zinc/90/23/42/1350902342.db2.gz TUGBHLIQNKSNQB-AWEZNQCLSA-N -1 0 330.287 2.446 20 5 EEBDRM C[C@](NC(=O)c1cc(F)ccc1N)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604308650 1350912987 /nfs/dbraw/zinc/91/29/87/1350912987.db2.gz VHDTZKBPUBLCJT-MRXNPFEDSA-N -1 0 347.302 2.046 20 5 EEBDRM C[C@@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1ncn(C)n1 ZINC001604363108 1350923867 /nfs/dbraw/zinc/92/38/67/1350923867.db2.gz IFRKEYJFRDOWKQ-ZCFIWIBFSA-N -1 0 325.712 2.248 20 5 EEBDRM C[C@@H](Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1F)C(=O)[O-] ZINC001604439847 1350938442 /nfs/dbraw/zinc/93/84/42/1350938442.db2.gz WURLVPVJDUMQIF-SSDOTTSWSA-N -1 0 337.263 2.166 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1C ZINC001605570348 1351191988 /nfs/dbraw/zinc/19/19/88/1351191988.db2.gz WPEJPMRTQTVKNK-WDEREUQCSA-N -1 0 336.344 2.379 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccncc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001605903048 1351250531 /nfs/dbraw/zinc/25/05/31/1351250531.db2.gz BROMVXFLURHUPN-GFCCVEGCSA-N -1 0 332.272 2.006 20 5 EEBDRM CN(C[C@@H](O)C(F)(F)F)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001606094351 1351269508 /nfs/dbraw/zinc/26/95/08/1351269508.db2.gz USEIWMWJVWGAPS-MRVPVSSYSA-N -1 0 342.657 2.306 20 5 EEBDRM CO[C@@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001606732644 1351348562 /nfs/dbraw/zinc/34/85/62/1351348562.db2.gz GWAQDXSJFPFJBR-WDEREUQCSA-N -1 0 337.332 2.290 20 5 EEBDRM CO[C@H]1COCC[C@@H]1N(C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606767927 1351354196 /nfs/dbraw/zinc/35/41/96/1351354196.db2.gz AAQVWCWVRYTPGA-GWCFXTLKSA-N -1 0 344.751 2.187 20 5 EEBDRM COc1ccccc1C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C(=O)[O-] ZINC001607344992 1351479174 /nfs/dbraw/zinc/47/91/74/1351479174.db2.gz IUWUBBYCZPOAMP-LBPRGKRZSA-N -1 0 331.328 2.354 20 5 EEBDRM Cc1cc(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)ccc1[N+](=O)[O-] ZINC001607577721 1351518865 /nfs/dbraw/zinc/51/88/65/1351518865.db2.gz RKSRDCSTPVQBGZ-NSHDSACASA-N -1 0 344.327 2.063 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2cc(N(C)C)ccn2)n1 ZINC001607589710 1351520437 /nfs/dbraw/zinc/52/04/37/1351520437.db2.gz YYSPPWJAUTVFEV-UHFFFAOYSA-N -1 0 331.332 2.070 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001607656226 1351534432 /nfs/dbraw/zinc/53/44/32/1351534432.db2.gz UXJZXFDDSXYALL-WAAGHKOSSA-N -1 0 326.736 2.492 20 5 EEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1csc(C(=O)[O-])n1)CC2 ZINC001607712034 1351544495 /nfs/dbraw/zinc/54/44/95/1351544495.db2.gz WEZNXMCLWNNTLI-UHFFFAOYSA-N -1 0 333.325 2.261 20 5 EEBDRM Cc1ccc(OCC(=O)NC2(C(=O)[O-])CCCCC2)c([N+](=O)[O-])c1 ZINC001607811974 1351564194 /nfs/dbraw/zinc/56/41/94/1351564194.db2.gz FCUOSOCKTKCPOP-UHFFFAOYSA-N -1 0 336.344 2.186 20 5 EEBDRM Cn1nccc1[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001608161840 1351637831 /nfs/dbraw/zinc/63/78/31/1351637831.db2.gz BULKIEDRWCGOQQ-HNNXBMFYSA-N -1 0 330.344 2.364 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001608273328 1351660621 /nfs/dbraw/zinc/66/06/21/1351660621.db2.gz KGSQDEYNNMPNGM-HUBLWGQQSA-N -1 0 347.371 2.283 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001608273276 1351660879 /nfs/dbraw/zinc/66/08/79/1351660879.db2.gz JFLHLWDGYCAPIS-UHFFFAOYSA-N -1 0 327.296 2.031 20 5 EEBDRM Cn1nc(Br)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000820243518 785839688 /nfs/dbraw/zinc/83/96/88/785839688.db2.gz JKRQTIXZVPJJST-UHFFFAOYSA-N -1 0 341.121 2.049 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](CCO)Cc2ccccc2)n1 ZINC000844219832 788910136 /nfs/dbraw/zinc/91/01/36/788910136.db2.gz XEPUNUMEWSDQDO-ZDUSSCGKSA-N -1 0 345.355 2.402 20 5 EEBDRM CCc1ccc([C@@H](O)CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000844212930 788929508 /nfs/dbraw/zinc/92/95/08/788929508.db2.gz QGDDWZFRNGDIAD-AWEZNQCLSA-N -1 0 331.328 2.396 20 5 EEBDRM O=C([O-])c1ccnc(N[C@@H]2CCc3ccccc3OC2)c1[N+](=O)[O-] ZINC000844211871 788929643 /nfs/dbraw/zinc/92/96/43/788929643.db2.gz JOMBZWVITLNQEM-LLVKDONJSA-N -1 0 329.312 2.494 20 5 EEBDRM Cn1c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)nnc1C(F)(F)F ZINC001174502396 797784334 /nfs/dbraw/zinc/78/43/34/797784334.db2.gz MXOVWPVXXZZECA-UHFFFAOYSA-N -1 0 331.210 2.184 20 5 EEBDRM O=C(CCc1c2ccccc2cc2ccccc21)N[C@@H]1CO[N-]C1=O ZINC001182412960 801168327 /nfs/dbraw/zinc/16/83/27/801168327.db2.gz JYCNDBGBMUCPDC-GOSISDBHSA-N -1 0 334.375 2.472 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2 ZINC000808125503 812444543 /nfs/dbraw/zinc/44/45/43/812444543.db2.gz BGSQTUCUMVLPLN-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM O=C([O-])CCCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001601978849 971104228 /nfs/dbraw/zinc/10/42/28/971104228.db2.gz AAQSZOUQURKVKZ-UHFFFAOYSA-N -1 0 334.250 2.485 20 5 EEBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001589593275 949111824 /nfs/dbraw/zinc/11/18/24/949111824.db2.gz XBFPFWLPOQLDAH-INIZCTEOSA-N -1 0 338.335 2.380 20 5 EEBDRM C[C@@H](C(=O)[O-])N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC001602821955 971632186 /nfs/dbraw/zinc/63/21/86/971632186.db2.gz XCQVOSBFJOUBRC-VIFPVBQESA-N -1 0 332.316 2.082 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001595013094 951275354 /nfs/dbraw/zinc/27/53/54/951275354.db2.gz UQQVLHMQVXVFHK-NSHDSACASA-N -1 0 338.335 2.380 20 5 EEBDRM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(C(=O)[O-])nc1 ZINC001589410312 954509339 /nfs/dbraw/zinc/50/93/39/954509339.db2.gz AVFNJJMJXQKKPR-VIFPVBQESA-N -1 0 327.296 2.279 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001589430151 954645008 /nfs/dbraw/zinc/64/50/08/954645008.db2.gz LFPSMBAGYZZRID-LBPRGKRZSA-N -1 0 326.324 2.333 20 5 EEBDRM Cn1nc(C(=O)[O-])cc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001594571748 955890324 /nfs/dbraw/zinc/89/03/24/955890324.db2.gz HZTFRSLDTCPTIS-UHFFFAOYSA-N -1 0 330.344 2.191 20 5 EEBDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001589220012 956763296 /nfs/dbraw/zinc/76/32/96/956763296.db2.gz JAHJHZKAACYNKA-OAHLLOKOSA-N -1 0 334.284 2.280 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001574750952 957722178 /nfs/dbraw/zinc/72/21/78/957722178.db2.gz MGHTZKZCGCMCHN-SSDOTTSWSA-N -1 0 330.699 2.324 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001521194611 958222739 /nfs/dbraw/zinc/22/27/39/958222739.db2.gz JVBAJAYSJIKVBO-UHIISALHSA-N -1 0 335.360 2.408 20 5 EEBDRM C[C@@H](CNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001573698036 959798027 /nfs/dbraw/zinc/79/80/27/959798027.db2.gz IMAIDUBPRUSZBB-FRRDWIJNSA-N -1 0 349.387 2.451 20 5 EEBDRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001605837343 972571562 /nfs/dbraw/zinc/57/15/62/972571562.db2.gz BQNIVKQMZBTDNZ-WRXNHJIOSA-N -1 0 332.234 2.207 20 5 EEBDRM COc1ccc(OC(=O)C2(C(=O)[O-])CCSCC2)cc1[N+](=O)[O-] ZINC001604821156 974060672 /nfs/dbraw/zinc/06/06/72/974060672.db2.gz NWVQWYXNNACXCH-UHFFFAOYSA-N -1 0 341.341 2.107 20 5 EEBDRM CC(C)n1ccnc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001592142991 976994213 /nfs/dbraw/zinc/99/42/13/976994213.db2.gz ZZDXIMKFAPDCGK-INIZCTEOSA-N -1 0 346.343 2.102 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001592290090 977610369 /nfs/dbraw/zinc/61/03/69/977610369.db2.gz DAMPMZVEBZUELN-KRWDZBQOSA-N -1 0 343.339 2.039 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001592290845 977618668 /nfs/dbraw/zinc/61/86/68/977618668.db2.gz LQLKFGNKYAHMLI-OAHLLOKOSA-N -1 0 338.385 2.447 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000829834826 979008222 /nfs/dbraw/zinc/00/82/22/979008222.db2.gz SXDFVGZAJDAMNC-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM CC[C@@H](CN1CCOCC1)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001595131006 979546560 /nfs/dbraw/zinc/54/65/60/979546560.db2.gz HFUGLAZCPUVNJQ-LBPRGKRZSA-N -1 0 337.376 2.124 20 5 EEBDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[O-] ZINC001592847704 979627003 /nfs/dbraw/zinc/62/70/03/979627003.db2.gz HTFGANRJFNCUBK-OAHLLOKOSA-N -1 0 336.275 2.143 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863532621 979674370 /nfs/dbraw/zinc/67/43/70/979674370.db2.gz KSXHDLFVOKTINU-AWEZNQCLSA-N -1 0 341.751 2.126 20 5 EEBDRM O=C([O-])C[C@@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCOC1 ZINC000864142159 979747002 /nfs/dbraw/zinc/74/70/02/979747002.db2.gz WGBNCSDHRSHANL-KRWDZBQOSA-N -1 0 344.323 2.112 20 5 EEBDRM CC[C@]1(C)CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC001595370455 980841769 /nfs/dbraw/zinc/84/17/69/980841769.db2.gz LUMBEMUSHMMWRH-CQSZACIVSA-N -1 0 339.304 2.207 20 5 EEBDRM CCC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)[O-] ZINC001595553798 981431889 /nfs/dbraw/zinc/43/18/89/981431889.db2.gz ORDQXWDPWJXWBR-MRXNPFEDSA-N -1 0 346.343 2.154 20 5 EEBDRM CCOC(=O)CC[C@@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001596600655 984555114 /nfs/dbraw/zinc/55/51/14/984555114.db2.gz CJSKUWJIYGPYRF-MRVPVSSYSA-N -1 0 325.321 2.140 20 5 EEBDRM C[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[C@H]1C(=O)[O-] ZINC001599923453 985169666 /nfs/dbraw/zinc/16/96/66/985169666.db2.gz IMWQNBWRCIOXTO-GXSJLCMTSA-N -1 0 331.328 2.259 20 5 EEBDRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001596876078 985724667 /nfs/dbraw/zinc/72/46/67/985724667.db2.gz SNJQJINBKBNYKF-GFCCVEGCSA-N -1 0 344.751 2.118 20 5 EEBDRM CC[C@@H](OC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)c1cccc([N+](=O)[O-])c1 ZINC001597293132 987389238 /nfs/dbraw/zinc/38/92/38/987389238.db2.gz GHEYZJQBWGPMJO-ICGCDAGXSA-N -1 0 337.328 2.467 20 5 EEBDRM CCc1nc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001597651148 988686547 /nfs/dbraw/zinc/68/65/47/988686547.db2.gz VNUSJIWRSHFFAG-INIZCTEOSA-N -1 0 347.327 2.183 20 5 EEBDRM CC(C)(C)Oc1cc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001590409243 989945766 /nfs/dbraw/zinc/94/57/66/989945766.db2.gz HVBCTHGTYIYTOJ-CMPLNLGQSA-N -1 0 338.360 2.044 20 5 EEBDRM CN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598059990 990327550 /nfs/dbraw/zinc/32/75/50/990327550.db2.gz HAODOZKVZAQINB-AOOOYVTPSA-N -1 0 344.327 2.470 20 5 EEBDRM CC(C)(NC(=O)c1csc(C(=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC001590867043 990765807 /nfs/dbraw/zinc/76/58/07/990765807.db2.gz ITCJHSQHKJTBSZ-UHFFFAOYSA-N -1 0 335.341 2.415 20 5 EEBDRM COc1ccccc1OCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001599717391 991479360 /nfs/dbraw/zinc/47/93/60/991479360.db2.gz NBQSACVUIVIXPD-UHFFFAOYSA-N -1 0 333.300 2.188 20 5 EEBDRM CN(CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC001598399541 991683978 /nfs/dbraw/zinc/68/39/78/991683978.db2.gz LAJINXXRJKQCGD-UHFFFAOYSA-N -1 0 329.312 2.368 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CC(C)(C)C2(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171451 994031547 /nfs/dbraw/zinc/03/15/47/994031547.db2.gz VWCSQNGJVWAEKK-JTQLQIEISA-N -1 0 349.387 2.423 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001599622315 994101108 /nfs/dbraw/zinc/10/11/08/994101108.db2.gz YJNOQSJEPOJRAS-UHFFFAOYSA-N -1 0 336.325 2.293 20 5 EEBDRM COc1cccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c1[N+](=O)[O-] ZINC001599642665 994380758 /nfs/dbraw/zinc/38/07/58/994380758.db2.gz JQIBFVKUZQKMCR-HZRBXJLLSA-N -1 0 336.344 2.367 20 5 EEBDRM COC(=O)[C@@]1(C)CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001598717592 995432370 /nfs/dbraw/zinc/43/23/70/995432370.db2.gz DIKPOOKLQGETTL-AWEZNQCLSA-N -1 0 342.735 2.336 20 5 EEBDRM C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)C(C)(C)C(=O)[O-] ZINC001593563854 995653786 /nfs/dbraw/zinc/65/37/86/995653786.db2.gz CTUITKUTMYGSND-SSDOTTSWSA-N -1 0 343.719 2.473 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN1C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC001599190738 997119011 /nfs/dbraw/zinc/11/90/11/997119011.db2.gz MWXXNIWDLBQYQU-JICACKBISA-N -1 0 348.355 2.090 20 5 EEBDRM COC(=O)c1c(Cl)c(N2CC[C@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001598916435 997476027 /nfs/dbraw/zinc/47/60/27/997476027.db2.gz SFAGQNSWXAREMK-AWEZNQCLSA-N -1 0 342.735 2.336 20 5 EEBDRM COc1c(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cccc1[N+](=O)[O-] ZINC001599328419 997704721 /nfs/dbraw/zinc/70/47/21/997704721.db2.gz JWGKBGCPBDQHCK-WBMJQRKESA-N -1 0 334.328 2.073 20 5 EEBDRM COc1c(C(=O)N2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001599328653 997708895 /nfs/dbraw/zinc/70/88/95/997708895.db2.gz NIIUQFMFEJHQJC-JGPRNRPPSA-N -1 0 336.344 2.317 20 5 EEBDRM COCC(C)(C)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001599145360 998203341 /nfs/dbraw/zinc/20/33/41/998203341.db2.gz SXAIPEHFFQZVIK-UHFFFAOYSA-N -1 0 327.293 2.286 20 5 EEBDRM C[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C(=O)[O-])C1 ZINC001594406637 999523369 /nfs/dbraw/zinc/52/33/69/999523369.db2.gz BJGAMRQJNORSEO-LKFCYVNXSA-N -1 0 331.328 2.401 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001601716982 1118717564 /nfs/dbraw/zinc/71/75/64/1118717564.db2.gz KXHAGEYVXAZKLJ-LBPRGKRZSA-N -1 0 347.140 2.356 20 5 EEBDRM COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000059354241 214617835 /nfs/dbraw/zinc/61/78/35/214617835.db2.gz BFSJWSVPCUKYCK-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(NC(N)=O)cc1 ZINC000357605599 299246817 /nfs/dbraw/zinc/24/68/17/299246817.db2.gz QBBASVBAWXBDRZ-VIFPVBQESA-N -1 0 344.327 2.282 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000261711743 201196608 /nfs/dbraw/zinc/19/66/08/201196608.db2.gz PSMBIPKGUYYNHS-ZDUSSCGKSA-N -1 0 346.261 2.382 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000272091960 201249514 /nfs/dbraw/zinc/24/95/14/201249514.db2.gz JBVODVULCJGYCW-UHFFFAOYSA-N -1 0 342.352 2.139 20 5 EEBDRM COC1(C(F)(F)F)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000416268074 239150765 /nfs/dbraw/zinc/15/07/65/239150765.db2.gz FJFYEFSCPDBEDQ-UHFFFAOYSA-N -1 0 348.277 2.484 20 5 EEBDRM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])OC ZINC000294143074 201345478 /nfs/dbraw/zinc/34/54/78/201345478.db2.gz GRBCQJCQFOSUOE-JOYOIKCWSA-N -1 0 334.369 2.073 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(C2CC2)nn1 ZINC000446964286 242232802 /nfs/dbraw/zinc/23/28/02/242232802.db2.gz GYBDSYNXQHXTBO-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236853330 242382552 /nfs/dbraw/zinc/38/25/52/242382552.db2.gz IMIJHFUZINBUQV-IAQYHMDHSA-N -1 0 349.387 2.424 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2scnc2C(C)C)c([N+](=O)[O-])n1 ZINC000451106784 243002325 /nfs/dbraw/zinc/00/23/25/243002325.db2.gz ZOWOJAWBQZMRKG-UHFFFAOYSA-N -1 0 345.406 2.192 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000262538685 245023968 /nfs/dbraw/zinc/02/39/68/245023968.db2.gz QVUKMKRAXZCYFN-RMLUDKJBSA-N -1 0 347.327 2.078 20 5 EEBDRM CCCC[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000236877091 204062258 /nfs/dbraw/zinc/06/22/58/204062258.db2.gz XMJGDCBHJXRPPZ-AWEZNQCLSA-N -1 0 346.343 2.154 20 5 EEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)/C=C/C2CC2)cc1[N+](=O)[O-] ZINC000491908866 246209250 /nfs/dbraw/zinc/20/92/50/246209250.db2.gz MJMHKILYUXAYDN-SNAWJCMRSA-N -1 0 344.776 2.328 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]C(=O)/C=C\C(C)(C)C)ccc1[N+](=O)[O-] ZINC000492141891 246322436 /nfs/dbraw/zinc/32/24/36/246322436.db2.gz CGROMCBPVAJSHH-FPLPWBNLSA-N -1 0 342.373 2.011 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492212911 246349126 /nfs/dbraw/zinc/34/91/26/246349126.db2.gz DYBUCAWHHJOXII-DUMNWFOQSA-N -1 0 336.319 2.460 20 5 EEBDRM Cn1nc(-c2ccncc2)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356615867 141026926 /nfs/dbraw/zinc/02/69/26/141026926.db2.gz FBRBRDPZQNQOJK-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263078303 152370159 /nfs/dbraw/zinc/37/01/59/152370159.db2.gz BCBUDMPCFZLNNO-QWHCGFSZSA-N -1 0 349.387 2.499 20 5 EEBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC000355877442 153183321 /nfs/dbraw/zinc/18/33/21/153183321.db2.gz FJAVPRKZXPHKJV-UHFFFAOYSA-N -1 0 340.336 2.068 20 5 EEBDRM O=C(Nc1cccc(-n2ccnn2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000124113069 292287218 /nfs/dbraw/zinc/28/72/18/292287218.db2.gz BWRMVGAGNSBYPH-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CSc1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000263321247 160456835 /nfs/dbraw/zinc/45/68/35/160456835.db2.gz JQJPUNUEJDLMPG-GXSJLCMTSA-N -1 0 338.385 2.500 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000327283594 160544902 /nfs/dbraw/zinc/54/49/02/160544902.db2.gz HAJSCMKLYUHYSD-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-n2ccnn2)cc1 ZINC000092546253 159222809 /nfs/dbraw/zinc/22/28/09/159222809.db2.gz LZEIMIVYCQLULA-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000237508603 160222094 /nfs/dbraw/zinc/22/20/94/160222094.db2.gz DASLQVUWOSFMNN-MRVPVSSYSA-N -1 0 335.341 2.169 20 5 EEBDRM COc1cc(O)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000355811493 163309348 /nfs/dbraw/zinc/30/93/48/163309348.db2.gz MZZLCLQBHINXEV-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C(NC[C@H]1OCCc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000375233766 167092740 /nfs/dbraw/zinc/09/27/40/167092740.db2.gz MOFLZISPXKBYOV-MRXNPFEDSA-N -1 0 328.324 2.344 20 5 EEBDRM COc1c(F)cc(S(=O)(=O)[N-]c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000275050558 269088850 /nfs/dbraw/zinc/08/88/50/269088850.db2.gz YCIHLYPNGONJGH-UHFFFAOYSA-N -1 0 345.308 2.148 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291133455 275273858 /nfs/dbraw/zinc/27/38/58/275273858.db2.gz HAHRFBNELYIPNC-GOSISDBHSA-N -1 0 342.351 2.077 20 5 EEBDRM CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])Cc2ccccc21 ZINC000364393319 290031125 /nfs/dbraw/zinc/03/11/25/290031125.db2.gz KLDMGDKJPZEIRO-UHFFFAOYSA-N -1 0 327.340 2.393 20 5 EEBDRM CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H](c2ccccc2)C1 ZINC000130343435 290032062 /nfs/dbraw/zinc/03/20/62/290032062.db2.gz CQGZIJXXYQMJHZ-INIZCTEOSA-N -1 0 341.367 2.429 20 5 EEBDRM Cn1ccnc1[C@@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1(C)C ZINC000296383156 293962771 /nfs/dbraw/zinc/96/27/71/293962771.db2.gz VRTVYDDNHNSGHJ-ZDUSSCGKSA-N -1 0 330.344 2.257 20 5 EEBDRM COc1ccc2c(c1)OCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C2 ZINC000374748236 295267563 /nfs/dbraw/zinc/26/75/63/295267563.db2.gz FSVSIHRKEFOGTG-UHFFFAOYSA-N -1 0 344.323 2.344 20 5 EEBDRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000269086090 298210394 /nfs/dbraw/zinc/21/03/94/298210394.db2.gz MJTBEAGEENASSL-LLVKDONJSA-N -1 0 335.360 2.130 20 5 EEBDRM O=C([O-])C[C@H]1CSCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000319870819 311594245 /nfs/dbraw/zinc/59/42/45/311594245.db2.gz TXHDAVNLMYXIOV-IHVVCDCBSA-N -1 0 336.369 2.027 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1[N+](=O)[O-] ZINC000433939792 314805425 /nfs/dbraw/zinc/80/54/25/314805425.db2.gz HSTOKYXNWKAJDA-UHFFFAOYSA-N -1 0 338.393 2.265 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H](OCc2ccccn2)C1 ZINC000436640932 314983242 /nfs/dbraw/zinc/98/32/42/314983242.db2.gz RTVCTDQWWBQOOL-CQSZACIVSA-N -1 0 343.339 2.127 20 5 EEBDRM Cc1nn(C)c2nc(C)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c12 ZINC000436706135 314990735 /nfs/dbraw/zinc/99/07/35/314990735.db2.gz ULZSTKHSWNVBCP-UHFFFAOYSA-N -1 0 341.327 2.451 20 5 EEBDRM O=C(Nc1cccc(Cn2cncn2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436970678 315017999 /nfs/dbraw/zinc/01/79/99/315017999.db2.gz FRTFJJCEBAYPFX-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000436969089 315018125 /nfs/dbraw/zinc/01/81/25/315018125.db2.gz XDJVWULCGCNBKL-ZDUSSCGKSA-N -1 0 338.360 2.397 20 5 EEBDRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000442249258 315196963 /nfs/dbraw/zinc/19/69/63/315196963.db2.gz IWRICGIIOLTBAV-UHFFFAOYSA-N -1 0 336.325 2.304 20 5 EEBDRM CN1C[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000444549456 315307677 /nfs/dbraw/zinc/30/76/77/315307677.db2.gz QDRJOBXOZXZAQS-LBPRGKRZSA-N -1 0 341.367 2.339 20 5 EEBDRM COC(=O)[C@](C)(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000514728613 316417359 /nfs/dbraw/zinc/41/73/59/316417359.db2.gz AKCNHFXGLNHKHD-CQSZACIVSA-N -1 0 342.735 2.025 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3ccsc3)C2)n1 ZINC000565035107 319141736 /nfs/dbraw/zinc/14/17/36/319141736.db2.gz GJRYLPYFVXWQJG-GFCCVEGCSA-N -1 0 335.341 2.327 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1[N+](=O)[O-] ZINC000565539783 319192215 /nfs/dbraw/zinc/19/22/15/319192215.db2.gz SDUHEVOTBSMVJV-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM Cc1cc(N(C)Cc2cnc(N(C)C)nc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566290622 319270102 /nfs/dbraw/zinc/27/01/02/319270102.db2.gz KFKXZKRHSMAONX-UHFFFAOYSA-N -1 0 345.359 2.094 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000567562726 319390380 /nfs/dbraw/zinc/39/03/80/319390380.db2.gz RJSUHACVQDGWPF-NSHDSACASA-N -1 0 343.339 2.470 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000574163217 320001815 /nfs/dbraw/zinc/00/18/15/320001815.db2.gz ZTHWOADYTNWDND-NSHDSACASA-N -1 0 331.332 2.034 20 5 EEBDRM CC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000577006755 320224028 /nfs/dbraw/zinc/22/40/28/320224028.db2.gz LDAVTBWUUCNWEG-MWLCHTKSSA-N -1 0 344.389 2.071 20 5 EEBDRM NC(=O)c1csc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000181539227 323349153 /nfs/dbraw/zinc/34/91/53/323349153.db2.gz WUIHUCDJJBNZQH-UHFFFAOYSA-N -1 0 341.732 2.367 20 5 EEBDRM O=C([O-])c1cc2cc(NC(=O)Cn3cc([N+](=O)[O-])cn3)ccc2s1 ZINC000192537864 323479828 /nfs/dbraw/zinc/47/98/28/323479828.db2.gz QQCPNDWSRTYFJU-UHFFFAOYSA-N -1 0 346.324 2.343 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000580332137 324043298 /nfs/dbraw/zinc/04/32/98/324043298.db2.gz GBXYVWIBTFQXIU-LLVKDONJSA-N -1 0 333.369 2.397 20 5 EEBDRM CNc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000580812526 324131804 /nfs/dbraw/zinc/13/18/04/324131804.db2.gz UXJNFKIYUVRIOA-LBPRGKRZSA-N -1 0 341.323 2.465 20 5 EEBDRM Cc1cc(N[C@H](C)[C@H](C)N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582124502 324385474 /nfs/dbraw/zinc/38/54/74/324385474.db2.gz HTPPUWHKZGJMSB-NEPJUHHUSA-N -1 0 337.376 2.123 20 5 EEBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000582967852 324566582 /nfs/dbraw/zinc/56/65/82/324566582.db2.gz JCAPPTMBRSLHQE-GFCCVEGCSA-N -1 0 344.249 2.315 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@H](CO)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000583937399 324763222 /nfs/dbraw/zinc/76/32/22/324763222.db2.gz LSLHVZVSUIVIHF-NSHDSACASA-N -1 0 349.318 2.090 20 5 EEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000350937645 465043142 /nfs/dbraw/zinc/04/31/42/465043142.db2.gz HOCKRIDVYGUXQX-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM O=C(CCCNC(=O)[C@@H]1CC=CCC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000337046982 465164586 /nfs/dbraw/zinc/16/45/86/465164586.db2.gz MWGRCRKCXRTGIV-GFCCVEGCSA-N -1 0 347.371 2.492 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)[n-]1 ZINC000339390140 465240882 /nfs/dbraw/zinc/24/08/82/465240882.db2.gz GNWOKBFQPGJLAM-UHFFFAOYSA-N -1 0 332.316 2.309 20 5 EEBDRM COc1ccnc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000351609543 465249428 /nfs/dbraw/zinc/24/94/28/465249428.db2.gz LGVYLVNWJQCWLZ-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000297346765 465253920 /nfs/dbraw/zinc/25/39/20/465253920.db2.gz YVQXBQJOZZXSFA-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2c([nH]c1=O)CCCC2=O ZINC000356296744 465303327 /nfs/dbraw/zinc/30/33/27/465303327.db2.gz QMFDRZDEUBHAFQ-UHFFFAOYSA-N -1 0 343.295 2.172 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000356322929 465311364 /nfs/dbraw/zinc/31/13/64/465311364.db2.gz QBLHDDAPADVQMZ-UHFFFAOYSA-N -1 0 344.327 2.117 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@@H]2CCC[C@H]21 ZINC000568093866 468272932 /nfs/dbraw/zinc/27/29/32/468272932.db2.gz QAOYGZLBVLGLAW-ZYHUDNBSSA-N -1 0 326.736 2.347 20 5 EEBDRM CO[C@H](CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])Cc1ccccc1 ZINC000578993345 468292500 /nfs/dbraw/zinc/29/25/00/468292500.db2.gz SZZBGJHMVXXGOE-ZDUSSCGKSA-N -1 0 345.355 2.666 20 5 EEBDRM O=C(NC[C@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000088429538 462630373 /nfs/dbraw/zinc/63/03/73/462630373.db2.gz HQGWRVKKUQZHGE-AWEZNQCLSA-N -1 0 330.340 2.196 20 5 EEBDRM O=C(Nc1nncn1-c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000156692904 463058213 /nfs/dbraw/zinc/05/82/13/463058213.db2.gz OVQYVNXVJZGBPP-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000134764866 463079874 /nfs/dbraw/zinc/07/98/74/463079874.db2.gz MFWWRSNEDKVEBV-UHFFFAOYSA-N -1 0 341.345 2.263 20 5 EEBDRM CN(C)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000025326556 463120050 /nfs/dbraw/zinc/12/00/50/463120050.db2.gz TWOZUZFJKZDENA-UHFFFAOYSA-N -1 0 329.312 2.255 20 5 EEBDRM O=C([O-])c1ccccc1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000590844983 468356452 /nfs/dbraw/zinc/35/64/52/468356452.db2.gz OKNBJQNCSHBPEX-UHFFFAOYSA-N -1 0 344.327 2.036 20 5 EEBDRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000103522044 463404578 /nfs/dbraw/zinc/40/45/78/463404578.db2.gz CRZXRAMOYBURNI-UHFFFAOYSA-N -1 0 344.258 2.330 20 5 EEBDRM CCCC[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000184976610 463729108 /nfs/dbraw/zinc/72/91/08/463729108.db2.gz YTXAFLZVOVGIAO-GFCCVEGCSA-N -1 0 346.343 2.154 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000261746470 463846372 /nfs/dbraw/zinc/84/63/72/463846372.db2.gz UFNCWDIWPWJXQK-ZDUSSCGKSA-N -1 0 346.261 2.382 20 5 EEBDRM C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC000262229910 463977661 /nfs/dbraw/zinc/97/76/61/463977661.db2.gz OKACROUJOZWQHS-LLVKDONJSA-N -1 0 335.360 2.036 20 5 EEBDRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000263534245 464125703 /nfs/dbraw/zinc/12/57/03/464125703.db2.gz NUTNSPZKATVQGO-BXUZGUMPSA-N -1 0 336.344 2.032 20 5 EEBDRM Cc1cccc(C)c1NC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179413493 464131516 /nfs/dbraw/zinc/13/15/16/464131516.db2.gz JFFDVYWGYYWIOW-UHFFFAOYSA-N -1 0 343.339 2.286 20 5 EEBDRM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179408489 464132102 /nfs/dbraw/zinc/13/21/02/464132102.db2.gz HKVWXKFWHUNGRH-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM Cc1cccc2nc(CNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cn21 ZINC000356552537 465452074 /nfs/dbraw/zinc/45/20/74/465452074.db2.gz RVIZCFUSUAPGJJ-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM Cc1nn(CCC(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC000237873851 464394612 /nfs/dbraw/zinc/39/46/12/464394612.db2.gz ODMUCFJVYMQENA-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM Cc1csc([C@H]2COCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000189029259 464417750 /nfs/dbraw/zinc/41/77/50/464417750.db2.gz NXJKSNFRQXWMGH-GFCCVEGCSA-N -1 0 349.368 2.279 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000238078766 464430670 /nfs/dbraw/zinc/43/06/70/464430670.db2.gz BORJYUYMQFZYRW-ZDUSSCGKSA-N -1 0 347.371 2.132 20 5 EEBDRM O=C(N[C@H]1CCOc2c(F)cccc21)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000189599188 464531697 /nfs/dbraw/zinc/53/16/97/464531697.db2.gz PCANIVANCOCNKK-NSHDSACASA-N -1 0 333.275 2.088 20 5 EEBDRM C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000286105472 464806174 /nfs/dbraw/zinc/80/61/74/464806174.db2.gz OXCHQRZLSZDYJC-SECBINFHSA-N -1 0 339.348 2.400 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c([N+](=O)[O-])n1 ZINC000339687562 465443935 /nfs/dbraw/zinc/44/39/35/465443935.db2.gz HROUTQACCBJBFK-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](O)Cc1ccccc1 ZINC000356671984 465482308 /nfs/dbraw/zinc/48/23/08/465482308.db2.gz LKCFXTQLAXYLAO-ZDUSSCGKSA-N -1 0 336.731 2.496 20 5 EEBDRM CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356803376 465550065 /nfs/dbraw/zinc/55/00/65/465550065.db2.gz MCNLPFFIAOIMND-DEOSSOPVSA-N -1 0 348.380 2.310 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000353113082 465647963 /nfs/dbraw/zinc/64/79/63/465647963.db2.gz SQENEAAWLKROFE-NWDGAFQWSA-N -1 0 349.387 2.114 20 5 EEBDRM Cn1cc([C@H]2CSCCN2Cc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000331961222 466322904 /nfs/dbraw/zinc/32/29/04/466322904.db2.gz UYXNSFNQFWIZHL-OAHLLOKOSA-N -1 0 334.401 2.324 20 5 EEBDRM CCN(CC(=O)N1CCCCCC1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000331985690 466335133 /nfs/dbraw/zinc/33/51/33/466335133.db2.gz NAFCHRRBDFYEMN-UHFFFAOYSA-N -1 0 349.387 2.165 20 5 EEBDRM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000319929537 466601722 /nfs/dbraw/zinc/60/17/22/466601722.db2.gz FUSVNPLROPTXMD-UHFFFAOYSA-N -1 0 336.325 2.118 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(F)c(F)c2)ccc1[O-] ZINC000320437041 466608303 /nfs/dbraw/zinc/60/83/03/466608303.db2.gz VTVWXWZOJFKCMV-UHFFFAOYSA-N -1 0 344.295 2.057 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)c([N+](=O)[O-])c1 ZINC000451051458 467235232 /nfs/dbraw/zinc/23/52/32/467235232.db2.gz SNKJJDXWFOMBAW-UHFFFAOYSA-N -1 0 349.368 2.288 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccco3)n2)c1[N+](=O)[O-] ZINC000433847764 467358633 /nfs/dbraw/zinc/35/86/33/467358633.db2.gz GXOBWVFWLCGFGR-UHFFFAOYSA-N -1 0 331.292 2.072 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000391100137 467418464 /nfs/dbraw/zinc/41/84/64/467418464.db2.gz YQJRXSPWKKTAQC-MRVPVSSYSA-N -1 0 338.307 2.448 20 5 EEBDRM COc1ccc(OC)c(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436675763 467550561 /nfs/dbraw/zinc/55/05/61/467550561.db2.gz XAXYEOMQBOCWLD-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM COc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])c(OC)c1 ZINC000436783678 467554211 /nfs/dbraw/zinc/55/42/11/467554211.db2.gz SUVDKBIPMZFKRJ-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000457340511 467805129 /nfs/dbraw/zinc/80/51/29/467805129.db2.gz IHFPSBOXQKSIGF-UHFFFAOYSA-N -1 0 332.360 2.332 20 5 EEBDRM O=C(/C=C/c1cncc(O)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000493583424 467941901 /nfs/dbraw/zinc/94/19/01/467941901.db2.gz KFJUBRGXKCJDPK-DAFODLJHSA-N -1 0 341.323 2.130 20 5 EEBDRM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000488279533 468079513 /nfs/dbraw/zinc/07/95/13/468079513.db2.gz OQBQCIYTGHMNDM-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC[C@@H]2COc3ccccc3O2)n1 ZINC000567977744 468247024 /nfs/dbraw/zinc/24/70/24/468247024.db2.gz LBWOUGQYBPFBPR-SNVBAGLBSA-N -1 0 345.311 2.330 20 5 EEBDRM CC(C)[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000594535932 468616627 /nfs/dbraw/zinc/61/66/27/468616627.db2.gz IOQNMWJGLQSPOB-LLVKDONJSA-N -1 0 337.376 2.486 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H](OC3CCC3)C2)cc([N+](=O)[O-])c1 ZINC000594596817 468630726 /nfs/dbraw/zinc/63/07/26/468630726.db2.gz CUGXXFWQJFKACG-HNNXBMFYSA-N -1 0 348.355 2.467 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C)CC2CCC2)cc1[N+](=O)[O-] ZINC000592136494 468633807 /nfs/dbraw/zinc/63/38/07/468633807.db2.gz AIBAWCMFMPSJMQ-UHFFFAOYSA-N -1 0 342.373 2.022 20 5 EEBDRM CCOc1cccc(N2CCSC[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000583997702 468784275 /nfs/dbraw/zinc/78/42/75/468784275.db2.gz QFMNPZUATJPEAO-SNVBAGLBSA-N -1 0 326.374 2.248 20 5 EEBDRM C[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1CO ZINC000592782158 468784648 /nfs/dbraw/zinc/78/46/48/468784648.db2.gz BLVVVWBFDKAANU-QPUJVOFHSA-N -1 0 328.752 2.187 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2cccnc2OC(C)C)n1 ZINC000592969372 468831364 /nfs/dbraw/zinc/83/13/64/468831364.db2.gz DSZFPXCFFXVHBI-UHFFFAOYSA-N -1 0 346.343 2.791 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCN(c3ccccn3)C2)n1 ZINC000592976840 468832653 /nfs/dbraw/zinc/83/26/53/468832653.db2.gz AKTZDEYZTPFWND-NSHDSACASA-N -1 0 343.343 2.082 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000592982677 468833841 /nfs/dbraw/zinc/83/38/41/468833841.db2.gz NZJDSVOVNBTNGU-KRWDZBQOSA-N -1 0 345.355 2.461 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)C[C@H](O)Cc2ccccc2)n1 ZINC000571884947 468854162 /nfs/dbraw/zinc/85/41/62/468854162.db2.gz YFSBJIYQSZPXGV-CYBMUJFWSA-N -1 0 345.355 2.036 20 5 EEBDRM CN(CCC(C)(C)C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593312409 468935510 /nfs/dbraw/zinc/93/55/10/468935510.db2.gz HPOGBCJZXWARRE-UHFFFAOYSA-N -1 0 344.389 2.350 20 5 EEBDRM Cc1cc(=NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c(C)c[nH]1 ZINC000598734776 468978800 /nfs/dbraw/zinc/97/88/00/468978800.db2.gz NVDDDQPQABOYJC-UHFFFAOYSA-N -1 0 335.385 2.446 20 5 EEBDRM COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000573000461 469039281 /nfs/dbraw/zinc/03/92/81/469039281.db2.gz DEZNQFPPLJYVHK-DGCLKSJQSA-N -1 0 338.360 2.025 20 5 EEBDRM O=C([O-])[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595988177 469107501 /nfs/dbraw/zinc/10/75/01/469107501.db2.gz FDDJKXJGDGCBSG-CQSZACIVSA-N -1 0 335.360 2.014 20 5 EEBDRM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000563206621 469198130 /nfs/dbraw/zinc/19/81/30/469198130.db2.gz RLJGDBKUJYGKGZ-SAXRGWBVSA-N -1 0 349.387 2.454 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2ccncc2)ccc1[O-] ZINC000603440068 469396135 /nfs/dbraw/zinc/39/61/35/469396135.db2.gz YRIMLTZSLVBWGD-ZDUSSCGKSA-N -1 0 349.368 2.221 20 5 EEBDRM CCc1cccnc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619507205 469628622 /nfs/dbraw/zinc/62/86/22/469628622.db2.gz OVCNYSFEWFGFGF-UHFFFAOYSA-N -1 0 337.357 2.362 20 5 EEBDRM O=C(Nc1ccc(-c2nc[nH]n2)cc1F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000619574369 469642532 /nfs/dbraw/zinc/64/25/32/469642532.db2.gz UKTAGKHMQIINTQ-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM CSC[C@](C)(O)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000738188436 578002895 /nfs/dbraw/zinc/00/28/95/578002895.db2.gz LUPVXUNVJRJNIR-KXQLTZBTSA-N -1 0 326.374 2.219 20 5 EEBDRM COc1ccc(COC(=O)CCCN(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000738010326 576092631 /nfs/dbraw/zinc/09/26/31/576092631.db2.gz GOZUKTHDXKGKGW-UHFFFAOYSA-N -1 0 326.305 2.037 20 5 EEBDRM CCNC(=O)c1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000772161803 577255267 /nfs/dbraw/zinc/25/52/67/577255267.db2.gz YOBGLTAZMXJPDN-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[O-] ZINC000773190524 577321648 /nfs/dbraw/zinc/32/16/48/577321648.db2.gz WFQNNOVMIUJVPR-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000776199522 577454417 /nfs/dbraw/zinc/45/44/17/577454417.db2.gz HOEKAFUIVZHLTI-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000767077381 577530318 /nfs/dbraw/zinc/53/03/18/577530318.db2.gz PNFPHFGXNPLINN-NOZJJQNGSA-N -1 0 338.385 2.445 20 5 EEBDRM CCCC1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CCC1 ZINC000759561773 577645590 /nfs/dbraw/zinc/64/55/90/577645590.db2.gz QGBCJGRPEJAJRH-UHFFFAOYSA-N -1 0 332.403 2.432 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C2\CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000753809394 577794172 /nfs/dbraw/zinc/79/41/72/577794172.db2.gz JVMJSOQRHODANK-QSARLWQPSA-N -1 0 338.385 2.455 20 5 EEBDRM O=C(Nc1n[nH]c(-c2cccs2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755239946 577822328 /nfs/dbraw/zinc/82/23/28/577822328.db2.gz HBEGMHXFMZEYBQ-UHFFFAOYSA-N -1 0 331.313 2.399 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C(=O)[O-])c1 ZINC000738648352 578022780 /nfs/dbraw/zinc/02/27/80/578022780.db2.gz BYVNIJQABYNIPD-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2nc3c(s2)CCC3)cc([N+](=O)[O-])c1 ZINC000738672860 578023402 /nfs/dbraw/zinc/02/34/02/578023402.db2.gz LPBKQTGSWUKQEZ-UHFFFAOYSA-N -1 0 333.325 2.491 20 5 EEBDRM Cc1cccc(N(CC(=O)[O-])C(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000738722185 578024881 /nfs/dbraw/zinc/02/48/81/578024881.db2.gz KQLPVVIKBBHOHZ-UHFFFAOYSA-N -1 0 329.312 2.338 20 5 EEBDRM Cc1nccn1CCCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738895785 578030239 /nfs/dbraw/zinc/03/02/39/578030239.db2.gz XAJIQMNZSPLXEQ-UHFFFAOYSA-N -1 0 332.316 2.217 20 5 EEBDRM O=C([O-])CCN(Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000739723963 578065712 /nfs/dbraw/zinc/06/57/12/578065712.db2.gz BPRQPWQFUKBGKR-LLVKDONJSA-N -1 0 326.324 2.190 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000236609336 597032305 /nfs/dbraw/zinc/03/23/05/597032305.db2.gz JNMUQUIVZOJEDD-CQSZACIVSA-N -1 0 346.343 2.010 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263200141 600653284 /nfs/dbraw/zinc/65/32/84/600653284.db2.gz HJGDZDVPLYAHRA-CQSZACIVSA-N -1 0 349.387 2.424 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CCC(C)(C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703927 600825187 /nfs/dbraw/zinc/82/51/87/600825187.db2.gz UQDYGDJQZCGKHL-JTQLQIEISA-N -1 0 335.360 2.034 20 5 EEBDRM O=C([O-])c1ccc(OCCn2ccc(=O)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000833322397 601368326 /nfs/dbraw/zinc/36/83/26/601368326.db2.gz NLXBEVUGZVYKTN-UHFFFAOYSA-N -1 0 338.703 2.187 20 5 EEBDRM Cc1cc(NCCNC(=O)c2ccco2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897657 601545002 /nfs/dbraw/zinc/54/50/02/601545002.db2.gz YTEQQAYSTQHLMW-UHFFFAOYSA-N -1 0 333.300 2.036 20 5 EEBDRM Cc1cc(COC(=O)c2cc([N+](=O)[O-])c(F)cc2N)oc1C(=O)[O-] ZINC000832885844 602013703 /nfs/dbraw/zinc/01/37/03/602013703.db2.gz RZGXDTOPWWKMMG-UHFFFAOYSA-N -1 0 338.247 2.273 20 5 EEBDRM O=C([O-])c1cc(F)ccc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000833299074 604632008 /nfs/dbraw/zinc/63/20/08/604632008.db2.gz LJCKWXVEUNWANC-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])CCCc1nc(COc2cc(F)cc([N+](=O)[O-])c2)no1 ZINC000833230027 604807485 /nfs/dbraw/zinc/80/74/85/604807485.db2.gz GLAAECWSKHQBSJ-UHFFFAOYSA-N -1 0 325.252 2.103 20 5 EEBDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000832236077 604841679 /nfs/dbraw/zinc/84/16/79/604841679.db2.gz WLDFDRPOGBBVOA-NSHDSACASA-N -1 0 334.284 2.142 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000833623784 604877149 /nfs/dbraw/zinc/87/71/49/604877149.db2.gz QVQRPPPDDHRMPL-WRWORJQWSA-N -1 0 346.261 2.406 20 5 EEBDRM C/C(=C/COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833381470 605081272 /nfs/dbraw/zinc/08/12/72/605081272.db2.gz BICITNWXEXYRIH-DAXSKMNVSA-N -1 0 331.227 2.384 20 5 EEBDRM CC(C)C(=O)NC1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833463669 605177428 /nfs/dbraw/zinc/17/74/28/605177428.db2.gz PGKVVECYNPXRGT-UHFFFAOYSA-N -1 0 335.360 2.034 20 5 EEBDRM CC1=C(C(=O)[O-])[C@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=O)N1C ZINC000833579128 605340888 /nfs/dbraw/zinc/34/08/88/605340888.db2.gz XSDXPXQHGATPMT-NSHDSACASA-N -1 0 325.708 2.303 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000263157816 689375308 /nfs/dbraw/zinc/37/53/08/689375308.db2.gz FXIJIFLKFSMTHA-IUCAKERBSA-N -1 0 326.736 2.431 20 5 EEBDRM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263298043 689638584 /nfs/dbraw/zinc/63/85/84/689638584.db2.gz ZUQUADTWNOKNKW-RKDXNWHRSA-N -1 0 344.751 2.195 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[C@H]1C(=O)[O-] ZINC000863732989 1197842763 /nfs/dbraw/zinc/84/27/63/1197842763.db2.gz FILKKGCXIHPVBQ-ZYHUDNBSSA-N -1 0 349.343 2.098 20 5 EEBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000778813448 1208361192 /nfs/dbraw/zinc/36/11/92/1208361192.db2.gz AUKWQUFOCDMJAM-UHFFFAOYSA-N -1 0 348.380 2.092 20 5 EEBDRM CCN1CCc2ccc(-c3noc(-c4nc[n-]c4[N+](=O)[O-])n3)cc21 ZINC001212893216 1214379746 /nfs/dbraw/zinc/37/97/46/1214379746.db2.gz RWDBTVBWBQZHMB-UHFFFAOYSA-N -1 0 326.316 2.417 20 5 EEBDRM CS[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795896484 1215148616 /nfs/dbraw/zinc/14/86/16/1215148616.db2.gz PPHNCXXCZCKXRQ-LURJTMIESA-N -1 0 342.801 2.417 20 5 EEBDRM CC(C)c1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])on1 ZINC000114499060 1226544687 /nfs/dbraw/zinc/54/46/87/1226544687.db2.gz BEBNPTIONONLQL-UHFFFAOYSA-N -1 0 343.336 2.324 20 5 EEBDRM O=C(c1n[n-]c2ccccc2c1=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000110048661 1291799402 /nfs/dbraw/zinc/79/94/02/1291799402.db2.gz BZLFVAPKXOJTBR-UHFFFAOYSA-N -1 0 336.307 2.034 20 5 EEBDRM Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1-n1[n-]c(=O)c2cc(N)ccc21 ZINC001211294741 1295806136 /nfs/dbraw/zinc/80/61/36/1295806136.db2.gz FFTGRHOXRDAYQN-UHFFFAOYSA-N -1 0 329.272 2.438 20 5 EEBDRM CCOC(=O)c1cc(Nc2ccc(C(N)=O)cc2O)cc([N+](=O)[O-])c1 ZINC001211376484 1295856258 /nfs/dbraw/zinc/85/62/58/1295856258.db2.gz ZWPUPSGCKBIVQH-UHFFFAOYSA-N -1 0 345.311 2.320 20 5 EEBDRM O=[N+]([O-])c1cc(-c2nc(-c3cc(F)ccn3)no2)c([O-])c([N+](=O)[O-])c1 ZINC001216713031 1297264253 /nfs/dbraw/zinc/26/42/53/1297264253.db2.gz DIPYIJWDTBDXDT-UHFFFAOYSA-N -1 0 347.218 2.460 20 5 EEBDRM O=c1nc2cc[nH]c2c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[n-]1 ZINC001227809915 1301972214 /nfs/dbraw/zinc/97/22/14/1301972214.db2.gz RDFRNAODFQZUHJ-JTQLQIEISA-N -1 0 341.327 2.229 20 5 EEBDRM CO[C@H](C)CO[C@@H](C)COc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228244955 1302174236 /nfs/dbraw/zinc/17/42/36/1302174236.db2.gz MORJTSIMQGXQCJ-ZJUUUORDSA-N -1 0 337.332 2.062 20 5 EEBDRM Cc1cc2nc3nc(=O)[n-]c(OC[C@H]4CCCO4)c3nc2cc1C ZINC001228687074 1302380521 /nfs/dbraw/zinc/38/05/21/1302380521.db2.gz REBPYDQAOMUMKZ-LLVKDONJSA-N -1 0 326.356 2.453 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000780740339 1303695343 /nfs/dbraw/zinc/69/53/43/1303695343.db2.gz XOXXHRYVZQLXCL-RFAUZJTJSA-N -1 0 334.303 2.291 20 5 EEBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C)[n-]1 ZINC001231263825 1303710354 /nfs/dbraw/zinc/71/03/54/1303710354.db2.gz MLYCAQYGHIRODF-KOLCDFICSA-N -1 0 339.348 2.390 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000797733231 1304817667 /nfs/dbraw/zinc/81/76/67/1304817667.db2.gz XVGRJXSEPOYAPH-CDMKHQONSA-N -1 0 339.323 2.171 20 5 EEBDRM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc([O-])c1[N+](=O)[O-] ZINC000798300769 1304977212 /nfs/dbraw/zinc/97/72/12/1304977212.db2.gz JYBSZQUDMKMEMP-UHFFFAOYSA-N -1 0 343.255 2.337 20 5 EEBDRM C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@H](C)C1 ZINC001118439146 1308856802 /nfs/dbraw/zinc/85/68/02/1308856802.db2.gz XXDINVSPENVAIC-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000829835209 1314518007 /nfs/dbraw/zinc/51/80/07/1314518007.db2.gz ZGUOYEDYTVCZQZ-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NCc1cc(=O)[n-]o1 ZINC001158563526 1319307906 /nfs/dbraw/zinc/30/79/06/1319307906.db2.gz IYCATZNWMFKDLQ-UHFFFAOYSA-N -1 0 342.695 2.126 20 5 EEBDRM Cn1c(=O)c([N+](=O)[O-])c(NCc2ccc(C(=O)[O-])o2)c2ccccc21 ZINC001608075708 1351619537 /nfs/dbraw/zinc/61/95/37/1351619537.db2.gz DBGUEAMATLWCPF-UHFFFAOYSA-N -1 0 343.295 2.350 20 5 EEBDRM O=C([O-])CC1(COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC001608680623 1351740617 /nfs/dbraw/zinc/74/06/17/1351740617.db2.gz LDHFTVYXBNPJMT-UHFFFAOYSA-N -1 0 345.311 2.192 20 5 EEBDRM O=C([O-])c1c(Cl)c(NCCCc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC001608830695 1351773441 /nfs/dbraw/zinc/77/34/41/1351773441.db2.gz XFWOCBIYAKHXQX-UHFFFAOYSA-N -1 0 325.712 2.109 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCOC3(CCC3)C2)cc([N+](=O)[O-])c1 ZINC001608837203 1351775375 /nfs/dbraw/zinc/77/53/75/1351775375.db2.gz JLTGEDNKOXRONC-LLVKDONJSA-N -1 0 348.355 2.372 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC[S@@](=O)Cc2ccccc2)n1 ZINC001608915518 1351793454 /nfs/dbraw/zinc/79/34/54/1351793454.db2.gz ZWEPNCFZEAWVMN-XMMPIXPASA-N -1 0 349.368 2.049 20 5 EEBDRM O=C([O-])c1cnc(N2CCCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001608974589 1351805980 /nfs/dbraw/zinc/80/59/80/1351805980.db2.gz CICJFIHUVVYREJ-NEPJUHHUSA-N -1 0 335.360 2.331 20 5 EEBDRM C[C@H]1CC(C)(C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001609841119 1352098765 /nfs/dbraw/zinc/09/87/65/1352098765.db2.gz GUYWTHDAKXLZDN-VIFPVBQESA-N -1 0 342.373 2.102 20 5 EEBDRM C[C@H]1CCCN1c1nc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2C)n1 ZINC001609853967 1352102630 /nfs/dbraw/zinc/10/26/30/1352102630.db2.gz ANWLBIQVJCRHHF-UWVGGRQHSA-N -1 0 335.364 2.060 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2cccnc2O1 ZINC001609864535 1352105655 /nfs/dbraw/zinc/10/56/55/1352105655.db2.gz ACVZDSJSNRQEJV-SECBINFHSA-N -1 0 343.295 2.116 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC001609906527 1352116132 /nfs/dbraw/zinc/11/61/32/1352116132.db2.gz PCSSXUBHFLXGKZ-GFCCVEGCSA-N -1 0 338.360 2.384 20 5 EEBDRM CCCC[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)[O-] ZINC001609965511 1352132193 /nfs/dbraw/zinc/13/21/93/1352132193.db2.gz RUGJCILDORWBJD-JTQLQIEISA-N -1 0 325.273 2.124 20 5 EEBDRM CCN(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC001609988836 1352135711 /nfs/dbraw/zinc/13/57/11/1352135711.db2.gz DEBOWIJZCSNRTH-NSHDSACASA-N -1 0 337.332 2.244 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)n1 ZINC001610082941 1352158710 /nfs/dbraw/zinc/15/87/10/1352158710.db2.gz PYPFALVGWJFNCC-UHFFFAOYSA-N -1 0 337.263 2.176 20 5 EEBDRM CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1(C(=O)[O-])CCCC1 ZINC001610091716 1352160270 /nfs/dbraw/zinc/16/02/70/1352160270.db2.gz OZIBNPBLBLGMIF-UHFFFAOYSA-N -1 0 342.298 2.271 20 5 EEBDRM Cc1c(NCc2cn3cccnc3n2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610426954 1352221139 /nfs/dbraw/zinc/22/11/39/1352221139.db2.gz PVRVBGACSUPCEC-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001610559177 1352245050 /nfs/dbraw/zinc/24/50/50/1352245050.db2.gz FMMBJHJSHAIILB-QMMMGPOBSA-N -1 0 337.288 2.085 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)OCCOc1cccc(C(=O)[O-])c1 ZINC001610648746 1352257389 /nfs/dbraw/zinc/25/73/89/1352257389.db2.gz DSIPTZBCAOAMDD-UHFFFAOYSA-N -1 0 346.295 2.111 20 5 EEBDRM O=C([O-])[C@H]1CC[C@H](C(=O)OCCOc2ccccc2[N+](=O)[O-])CC1 ZINC001610804807 1352278030 /nfs/dbraw/zinc/27/80/30/1352278030.db2.gz NDXHLUAITSLEJI-HAQNSBGRSA-N -1 0 337.328 2.408 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(C[C@H]2CCc3ccccc3C2)c1 ZINC001610817317 1352279566 /nfs/dbraw/zinc/27/95/66/1352279566.db2.gz FFNUIDIATCYLKA-NSHDSACASA-N -1 0 328.324 2.260 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(C(=O)N3CCCC3)CC2)c1 ZINC001610841490 1352283550 /nfs/dbraw/zinc/28/35/50/1352283550.db2.gz GLVPXMSKWPBXMY-UHFFFAOYSA-N -1 0 347.371 2.132 20 5 EEBDRM O=C([O-])c1cccn2cc(COC(=O)c3cccc([N+](=O)[O-])c3)nc12 ZINC001610880096 1352289704 /nfs/dbraw/zinc/28/97/04/1352289704.db2.gz SKWFBKBNYOMFPO-UHFFFAOYSA-N -1 0 341.279 2.298 20 5 EEBDRM Cc1c(NC(=O)N2C[C@H]3[C@@H](C2)C3(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600036427 1349959501 /nfs/dbraw/zinc/95/95/01/1349959501.db2.gz WLPBMXWIBMAPKL-DTORHVGOSA-N -1 0 341.270 2.330 20 5 EEBDRM Cc1cc(C)c(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC001600160934 1349983044 /nfs/dbraw/zinc/98/30/44/1349983044.db2.gz JMOMQQILSBSWBG-UHFFFAOYSA-N -1 0 345.311 2.192 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001600304751 1350015686 /nfs/dbraw/zinc/01/56/86/1350015686.db2.gz KHENPBSJNRUAKM-UHFFFAOYSA-N -1 0 341.323 2.195 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])c2cccnc2)c1C ZINC001600486836 1350063283 /nfs/dbraw/zinc/06/32/83/1350063283.db2.gz HIJMSYLQUYHGEC-AWEZNQCLSA-N -1 0 329.312 2.162 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(CC(=O)[O-])CC1 ZINC001600551963 1350080335 /nfs/dbraw/zinc/08/03/35/1350080335.db2.gz IXHOTBCZYIJPIV-UHFFFAOYSA-N -1 0 335.360 2.028 20 5 EEBDRM Cc1ccnc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001600601674 1350094766 /nfs/dbraw/zinc/09/47/66/1350094766.db2.gz RYLDRAKPJZIAKU-UHFFFAOYSA-N -1 0 331.328 2.051 20 5 EEBDRM Cc1nn(CCC(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC001600788235 1350137523 /nfs/dbraw/zinc/13/75/23/1350137523.db2.gz JPAYDTUCQHKFDS-NSHDSACASA-N -1 0 341.364 2.231 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC001601218441 1350234452 /nfs/dbraw/zinc/23/44/52/1350234452.db2.gz ZSVLIYPXMXQWRL-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM O=C([O-])c1cc(Cl)ccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001601301074 1350252290 /nfs/dbraw/zinc/25/22/90/1350252290.db2.gz YYXILFDXYVCBBR-UHFFFAOYSA-N -1 0 338.707 2.172 20 5 EEBDRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001601424087 1350280769 /nfs/dbraw/zinc/28/07/69/1350280769.db2.gz OEWRCZJEATZMDH-LBPRGKRZSA-N -1 0 349.730 2.069 20 5 EEBDRM O=C([O-])c1sc(NC(=O)c2ccc([N+](=O)[O-])cn2)nc1C1CC1 ZINC001601635279 1350325017 /nfs/dbraw/zinc/32/50/17/1350325017.db2.gz GWJKWIIVVLHVSM-UHFFFAOYSA-N -1 0 334.313 2.274 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])c2ccccc21 ZINC001601843539 1350378420 /nfs/dbraw/zinc/37/84/20/1350378420.db2.gz VRIKEIMZHNWTEF-LBPRGKRZSA-N -1 0 344.298 2.491 20 5 EEBDRM O=C([O-])CC1(NC(=O)CCOc2ccccc2[N+](=O)[O-])CCCC1 ZINC001601926886 1350398746 /nfs/dbraw/zinc/39/87/46/1350398746.db2.gz QSECBSIGDWMZFN-UHFFFAOYSA-N -1 0 336.344 2.267 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCCCC2CCC2)c([N+](=O)[O-])c1 ZINC001602074880 1350431310 /nfs/dbraw/zinc/43/13/10/1350431310.db2.gz UINTVFPPRSGKHW-UHFFFAOYSA-N -1 0 335.360 2.401 20 5 EEBDRM O=C([O-])COCCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001602080478 1350431994 /nfs/dbraw/zinc/43/19/94/1350431994.db2.gz GSTCUACOASOKBC-UHFFFAOYSA-N -1 0 344.323 2.339 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001602217458 1350468643 /nfs/dbraw/zinc/46/86/43/1350468643.db2.gz HZDOEKRIQVFKSE-VHSXEESVSA-N -1 0 346.261 2.320 20 5 EEBDRM O=C([O-])c1cc(C2CN(c3ccc4ncccc4c3[N+](=O)[O-])C2)[nH]n1 ZINC001602254544 1350478082 /nfs/dbraw/zinc/47/80/82/1350478082.db2.gz AEJNWNBKHYUGLW-UHFFFAOYSA-N -1 0 339.311 2.168 20 5 EEBDRM O=C([O-])c1ccc(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001602334120 1350496459 /nfs/dbraw/zinc/49/64/59/1350496459.db2.gz QSTFVDXMBLZWBA-UHFFFAOYSA-N -1 0 332.287 2.405 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(Cc3cncs3)CC2)c1 ZINC001602404032 1350511306 /nfs/dbraw/zinc/51/13/06/1350511306.db2.gz CCKJCFZCHWPYDL-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CSCCS2)c1 ZINC001602404149 1350511541 /nfs/dbraw/zinc/51/15/41/1350511541.db2.gz RUUXTCWBIYDCQN-NSHDSACASA-N -1 0 343.382 2.185 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC001602405468 1350511845 /nfs/dbraw/zinc/51/18/45/1350511845.db2.gz XMMIRZRYQHNGRN-CYBMUJFWSA-N -1 0 347.371 2.496 20 5 EEBDRM O=C([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001602421075 1350515295 /nfs/dbraw/zinc/51/52/95/1350515295.db2.gz NWCOTTBXIHWKCS-QGZVFWFLSA-N -1 0 342.351 2.385 20 5 EEBDRM O=C([O-])/C(=C\c1cc([N+](=O)[O-])ccc1Cl)CN1CCC(=O)CC1 ZINC001602646131 1350565031 /nfs/dbraw/zinc/56/50/31/1350565031.db2.gz AFDQJPVDSABQDE-XFFZJAGNSA-N -1 0 338.747 2.381 20 5 EEBDRM C/C(=C\C(=O)N[C@]1(CC(=O)[O-])CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001602953561 1350609418 /nfs/dbraw/zinc/60/94/18/1350609418.db2.gz SEECOCYYLHFISR-KQPPXVQYSA-N -1 0 348.355 2.138 20 5 EEBDRM C[C@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001603154329 1350651210 /nfs/dbraw/zinc/65/12/10/1350651210.db2.gz BXDHBHCZZBWKGH-QUBYGPBYSA-N -1 0 334.250 2.062 20 5 EEBDRM CC1=C(C(=O)[O-])C[C@H](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)O1 ZINC001604613837 1350970032 /nfs/dbraw/zinc/97/00/32/1350970032.db2.gz RLJJYYGWYFBWFP-SNVBAGLBSA-N -1 0 330.300 2.001 20 5 EEBDRM C[C@H]1SCCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)[C@@H]1C ZINC001604841170 1351018393 /nfs/dbraw/zinc/01/83/93/1351018393.db2.gz DSHDCEXRDAUNLV-GHMZBOCLSA-N -1 0 340.401 2.384 20 5 EEBDRM Cc1c(NC(=O)NCCCOC(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607545038 1351513716 /nfs/dbraw/zinc/51/37/16/1351513716.db2.gz JOWNAFVIQIVLEP-UHFFFAOYSA-N -1 0 347.274 2.352 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2cc(C3CC3)n(C)n2)n1 ZINC001607588921 1351520580 /nfs/dbraw/zinc/52/05/80/1351520580.db2.gz AIYAWOZSNXEHRP-UHFFFAOYSA-N -1 0 331.332 2.219 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001607826492 1351566560 /nfs/dbraw/zinc/56/65/60/1351566560.db2.gz SBAWLEJQGGGJEP-AWEZNQCLSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ccn([C@H](C)CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001607891737 1351580214 /nfs/dbraw/zinc/58/02/14/1351580214.db2.gz ZSNXRVXYXRKGKD-SNVBAGLBSA-N -1 0 332.316 2.388 20 5 EEBDRM Cc1cnc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1C ZINC001607906033 1351583391 /nfs/dbraw/zinc/58/33/91/1351583391.db2.gz ZCTCKEKUYCKEBM-KRWDZBQOSA-N -1 0 343.339 2.336 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC001608036415 1351611252 /nfs/dbraw/zinc/61/12/52/1351611252.db2.gz QTYIBQHNSKELAJ-UHFFFAOYSA-N -1 0 335.268 2.430 20 5 EEBDRM Cn1c(Sc2ncc(C(=O)[O-])cc2[N+](=O)[O-])nnc1C1CCC1 ZINC001608092322 1351623595 /nfs/dbraw/zinc/62/35/95/1351623595.db2.gz RVEYTCSANVDZEN-UHFFFAOYSA-N -1 0 335.345 2.235 20 5 EEBDRM Nc1c(C(=O)N[C@@H](CC2CC2)C(=O)[O-])cc2ccccc2c1[N+](=O)[O-] ZINC001608267013 1351659467 /nfs/dbraw/zinc/65/94/67/1351659467.db2.gz QNESRCMZCVMVTP-ZDUSSCGKSA-N -1 0 343.339 2.313 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001608273613 1351660791 /nfs/dbraw/zinc/66/07/91/1351660791.db2.gz UFUQTPZNQKZIOO-SNVBAGLBSA-N -1 0 341.323 2.396 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001608274565 1351661391 /nfs/dbraw/zinc/66/13/91/1351661391.db2.gz LFFABMQFSQPSAY-UHFFFAOYSA-N -1 0 329.312 2.447 20 5 EEBDRM C[C@H]1CC=C(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000850886275 1367163230 /nfs/dbraw/zinc/16/32/30/1367163230.db2.gz SEKPAOQMCZZUQM-VIFPVBQESA-N -1 0 342.348 2.285 20 5 EEBDRM O=C([O-])c1ccc(NCc2ccc3c(c2)C(=O)NC3)cc1[N+](=O)[O-] ZINC001169770556 1367728456 /nfs/dbraw/zinc/72/84/56/1367728456.db2.gz UTYWHLDNWLDRBV-UHFFFAOYSA-N -1 0 327.296 2.149 20 5 EEBDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccco1 ZINC000860540853 1369472086 /nfs/dbraw/zinc/47/20/86/1369472086.db2.gz MXYIEJXDNUFNBV-MRVPVSSYSA-N -1 0 344.370 2.248 20 5 EEBDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1C ZINC000798898975 1371619714 /nfs/dbraw/zinc/61/97/14/1371619714.db2.gz GHIBPDBGIDRADG-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM C[C@@H]1CC=C(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CC1 ZINC000835154374 1372597100 /nfs/dbraw/zinc/59/71/00/1372597100.db2.gz DRVZHIUEHUWDQP-MRVPVSSYSA-N -1 0 330.387 2.208 20 5 EEBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)CCC1CCCC1 ZINC000835946024 1372668243 /nfs/dbraw/zinc/66/82/43/1372668243.db2.gz UXCJWCPSJWTOCY-UHFFFAOYSA-N -1 0 340.401 2.164 20 5 EEBDRM C[C@H](OC[C@H]1CCCCO1)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837477174 1372787478 /nfs/dbraw/zinc/78/74/78/1372787478.db2.gz ZFNFLANJHSZECQ-SMDDNHRTSA-N -1 0 339.344 2.318 20 5 EEBDRM COC(=O)c1cnc(NC[C@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC001574577431 1403523055 /nfs/dbraw/zinc/52/30/55/1403523055.db2.gz GCXQGIJGBNNHKR-LBPRGKRZSA-N -1 0 345.311 2.057 20 5 EEBDRM CNc1nccc(C(=O)Nc2ccc(C)cc2C(=O)[O-])c1[N+](=O)[O-] ZINC001606314299 1404788487 /nfs/dbraw/zinc/78/84/87/1404788487.db2.gz NAQFDBHBNRIBDC-UHFFFAOYSA-N -1 0 330.300 2.290 20 5 EEBDRM Cc1c(C(=O)NCCCCCC(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000920934048 770918445 /nfs/dbraw/zinc/91/84/45/770918445.db2.gz VVXBTWGIHNYFLY-UHFFFAOYSA-N -1 0 339.304 2.186 20 5 EEBDRM O=C(CCC1CCCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160859 775449522 /nfs/dbraw/zinc/44/95/22/775449522.db2.gz OFDGPZCDHQIXIW-UHFFFAOYSA-N -1 0 332.403 2.432 20 5 EEBDRM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000809696257 783284147 /nfs/dbraw/zinc/28/41/47/783284147.db2.gz GBBLQDRSGBCNBW-ZDUSSCGKSA-N -1 0 348.277 2.228 20 5 EEBDRM COc1ccc2c(=O)[nH]n(C(=O)c3cccc([N+](=O)[O-])c3[O-])c2c1 ZINC000819967308 785723131 /nfs/dbraw/zinc/72/31/31/785723131.db2.gz FDXVLECDNPEITF-UHFFFAOYSA-N -1 0 329.268 2.053 20 5 EEBDRM O=[N+]([O-])c1ccccc1CCNc1ncc(-c2nn[nH]n2)cc1Cl ZINC000823647510 787850924 /nfs/dbraw/zinc/85/09/24/787850924.db2.gz LDERUIHLAIJBQY-UHFFFAOYSA-N -1 0 345.750 2.478 20 5 EEBDRM CCOC(CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])OCC ZINC000843862432 788696104 /nfs/dbraw/zinc/69/61/04/788696104.db2.gz ALNOUFRTHVKVPA-UHFFFAOYSA-N -1 0 346.767 2.473 20 5 EEBDRM Nc1nc(Cl)n(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2nccc1-2 ZINC001174503715 797784156 /nfs/dbraw/zinc/78/41/56/797784156.db2.gz JIOQMJBRZXDKIE-UHFFFAOYSA-N -1 0 333.691 2.214 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc3c(c2)CCNC3=O)cc1[N+](=O)[O-] ZINC001174508477 797785965 /nfs/dbraw/zinc/78/59/65/797785965.db2.gz YXDQIKDKSCXMLD-UHFFFAOYSA-N -1 0 327.296 2.323 20 5 EEBDRM CCCCSCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000917444070 798227565 /nfs/dbraw/zinc/22/75/65/798227565.db2.gz MCBNCIZAVTXIQE-UHFFFAOYSA-N -1 0 346.430 2.241 20 5 EEBDRM CC[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589587270 949065540 /nfs/dbraw/zinc/06/55/40/949065540.db2.gz OZNKCQYFTJMUOP-RXMQYKEDSA-N -1 0 338.135 2.439 20 5 EEBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001589593276 949111845 /nfs/dbraw/zinc/11/18/45/949111845.db2.gz XBFPFWLPOQLDAH-MRXNPFEDSA-N -1 0 338.335 2.380 20 5 EEBDRM O=C([O-])c1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001595260073 949649580 /nfs/dbraw/zinc/64/95/80/949649580.db2.gz ALUSIMCRRGHBKG-QWHCGFSZSA-N -1 0 327.296 2.430 20 5 EEBDRM C[C@H](C(=O)[O-])c1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC001602825395 971642511 /nfs/dbraw/zinc/64/25/11/971642511.db2.gz VBMWOTMMSBJCGL-QMMMGPOBSA-N -1 0 329.272 2.019 20 5 EEBDRM CCOc1cc(NC(=O)c2ccc(C(=O)[O-])nc2)ccc1[N+](=O)[O-] ZINC001592211118 951313026 /nfs/dbraw/zinc/31/30/26/951313026.db2.gz ICFHASKQJANSIG-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@H](C)C(=O)[O-] ZINC001592816013 951369450 /nfs/dbraw/zinc/36/94/50/951369450.db2.gz PYADDULJROQZRM-SECBINFHSA-N -1 0 325.321 2.320 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001602983645 972006791 /nfs/dbraw/zinc/00/67/91/972006791.db2.gz MJZQSOCIAWYRFM-JTQLQIEISA-N -1 0 346.286 2.283 20 5 EEBDRM Cc1cc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(N)c([N+](=O)[O-])c1 ZINC000852957344 955885040 /nfs/dbraw/zinc/88/50/40/955885040.db2.gz RCNFDTDSGLZPEE-NSHDSACASA-N -1 0 337.376 2.352 20 5 EEBDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001589205815 956664549 /nfs/dbraw/zinc/66/45/49/956664549.db2.gz MNURVOCXOGGDAW-UHFFFAOYSA-N -1 0 334.372 2.391 20 5 EEBDRM CC(C)(CCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)[N+](=O)[O-] ZINC001573469569 958943166 /nfs/dbraw/zinc/94/31/66/958943166.db2.gz BICIGCQVYZBVKA-UONOGXRCSA-N -1 0 334.372 2.149 20 5 EEBDRM C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC001588554031 959044405 /nfs/dbraw/zinc/04/44/05/959044405.db2.gz LDQFSXDFOITQLD-NOZJJQNGSA-N -1 0 338.335 2.455 20 5 EEBDRM CC[C@H](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001327015813 961140115 /nfs/dbraw/zinc/14/01/15/961140115.db2.gz CDLWKFZHUNNWQY-VIFPVBQESA-N -1 0 330.362 2.008 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001588762111 961239570 /nfs/dbraw/zinc/23/95/70/961239570.db2.gz HHSHKXRBLOTYHI-UHFFFAOYSA-N -1 0 326.324 2.426 20 5 EEBDRM CC(C)[C@@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C(=O)[O-] ZINC001588831297 961726579 /nfs/dbraw/zinc/72/65/79/961726579.db2.gz RTYSIXFGONFXSZ-LLVKDONJSA-N -1 0 348.315 2.242 20 5 EEBDRM CN(CC(=O)NCc1ccccc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001573997915 961858208 /nfs/dbraw/zinc/85/82/08/961858208.db2.gz LLNBBRPETSHFCS-UHFFFAOYSA-N -1 0 343.339 2.046 20 5 EEBDRM CC(C)(C)OC(=O)NCCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000303716903 963109709 /nfs/dbraw/zinc/10/97/09/963109709.db2.gz XHMZIIGACWXHSW-UHFFFAOYSA-N -1 0 340.336 2.015 20 5 EEBDRM O=C([O-])CN(CC1CC1)c1ncc([N+](=O)[O-])cc1Br ZINC000093433538 967599344 /nfs/dbraw/zinc/59/93/44/967599344.db2.gz UNUAZMVJAVWECQ-UHFFFAOYSA-N -1 0 330.138 2.053 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001606544636 970306488 /nfs/dbraw/zinc/30/64/88/970306488.db2.gz AEEAOOIRFMJYDC-UHFFFAOYSA-N -1 0 342.311 2.278 20 5 EEBDRM CNc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001604254442 972793997 /nfs/dbraw/zinc/79/39/97/972793997.db2.gz UFSDIVCSVPPULI-CQSZACIVSA-N -1 0 347.302 2.331 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001603365411 972851164 /nfs/dbraw/zinc/85/11/64/972851164.db2.gz LFRMNIMHIVSXHI-MWLCHTKSSA-N -1 0 331.328 2.259 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605421391 973446242 /nfs/dbraw/zinc/44/62/42/973446242.db2.gz WGAPQWNOKABZRZ-GJZGRUSLSA-N -1 0 341.323 2.341 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001592298195 977645924 /nfs/dbraw/zinc/64/59/24/977645924.db2.gz WYVCCXKFGTUXDX-VBQJREDUSA-N -1 0 332.356 2.458 20 5 EEBDRM CC[C@H](C[C@@H](C)O)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595036605 979197958 /nfs/dbraw/zinc/19/79/58/979197958.db2.gz WCVHWXXRZDEKBP-LDYMZIIASA-N -1 0 339.348 2.272 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001595213007 980003251 /nfs/dbraw/zinc/00/32/51/980003251.db2.gz RKIUTSCMLSXTCV-NSHDSACASA-N -1 0 346.343 2.234 20 5 EEBDRM C[C@](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)(C(=O)[O-])C1CC1 ZINC001593040717 980326058 /nfs/dbraw/zinc/32/60/58/980326058.db2.gz VPMJTZDQFDPAIB-CQSZACIVSA-N -1 0 326.736 2.160 20 5 EEBDRM O=C([O-])[C@@H]1CC(F)(F)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000903612380 980993031 /nfs/dbraw/zinc/99/30/31/980993031.db2.gz CZZWEZJJOGQEJU-LBPRGKRZSA-N -1 0 330.287 2.158 20 5 EEBDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC001594791322 981848896 /nfs/dbraw/zinc/84/88/96/981848896.db2.gz IAHQICYNYQENQW-INIZCTEOSA-N -1 0 335.360 2.404 20 5 EEBDRM C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC001599894684 984738222 /nfs/dbraw/zinc/73/82/22/984738222.db2.gz UZWPYBGHDJEHGV-LEWSCRJBSA-N -1 0 347.371 2.408 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC001589000633 984940854 /nfs/dbraw/zinc/94/08/54/984940854.db2.gz CJCDQOOEZGQZGI-AUECHBEKSA-N -1 0 341.323 2.335 20 5 EEBDRM Cc1[nH]c(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC001599947542 985553462 /nfs/dbraw/zinc/55/34/62/985553462.db2.gz KXGVTWHBJUDZKL-UHFFFAOYSA-N -1 0 346.295 2.312 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001589472117 986965215 /nfs/dbraw/zinc/96/52/15/986965215.db2.gz NHCSIUJCSVXEGP-NSHDSACASA-N -1 0 336.344 2.218 20 5 EEBDRM CSCCONC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599801065 988178018 /nfs/dbraw/zinc/17/80/18/988178018.db2.gz NUIINJFYDPZRQP-UHFFFAOYSA-N -1 0 329.334 2.018 20 5 EEBDRM CC(C)(C)N1C[C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC001589803174 988216628 /nfs/dbraw/zinc/21/66/28/988216628.db2.gz YFBBHTFVGLJFOF-LBPRGKRZSA-N -1 0 349.387 2.281 20 5 EEBDRM CC(C)[C@H](C)N(C)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001593169360 994020441 /nfs/dbraw/zinc/02/04/41/994020441.db2.gz YUOAUQZOFNCAGT-MNOVXSKESA-N -1 0 337.376 2.278 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171699 994033693 /nfs/dbraw/zinc/03/36/93/994033693.db2.gz YMYGIJVIMXTINA-MFKMUULPSA-N -1 0 347.371 2.034 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001599622122 994098270 /nfs/dbraw/zinc/09/82/70/994098270.db2.gz SCSAIKVYPUOTSQ-CQSZACIVSA-N -1 0 330.296 2.159 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N3C[C@@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC001599637832 994315378 /nfs/dbraw/zinc/31/53/78/994315378.db2.gz LATQQFWSTUNWRB-BXKDBHETSA-N -1 0 331.328 2.309 20 5 EEBDRM C[C@H](Sc1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593668343 996062597 /nfs/dbraw/zinc/06/25/97/996062597.db2.gz QSTBULKVDDBGSX-JTQLQIEISA-N -1 0 338.385 2.399 20 5 EEBDRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc([N+](=O)[O-])cn2C)c1F ZINC001599489064 996906629 /nfs/dbraw/zinc/90/66/29/996906629.db2.gz DZDMFIOFVLOFBP-UHFFFAOYSA-N -1 0 337.263 2.032 20 5 EEBDRM CO[C@@H]1CN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599129475 997915040 /nfs/dbraw/zinc/91/50/40/997915040.db2.gz DYXYJXJKBLBZJO-CIZGOSNJSA-N -1 0 348.355 2.089 20 5 EEBDRM COc1ccc(CC(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC001599547665 997951043 /nfs/dbraw/zinc/95/10/43/997951043.db2.gz WHUPXKQEKOKJNM-UHFFFAOYSA-N -1 0 348.355 2.144 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001599462465 998297429 /nfs/dbraw/zinc/29/74/29/998297429.db2.gz UTODPULLAPMORE-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000263392935 299246274 /nfs/dbraw/zinc/24/62/74/299246274.db2.gz DBPGQXVWXAZLBX-BQBZGAKWSA-N -1 0 334.250 2.453 20 5 EEBDRM O=C(NCCc1c[nH]c2cc(F)ccc12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000438560361 242034780 /nfs/dbraw/zinc/03/47/80/242034780.db2.gz XCPJLAGZMMPRTQ-UHFFFAOYSA-N -1 0 344.302 2.288 20 5 EEBDRM COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000021027698 212200514 /nfs/dbraw/zinc/20/05/14/212200514.db2.gz DMNJEYKQJCDQMJ-UHFFFAOYSA-N -1 0 332.312 2.499 20 5 EEBDRM Nc1ccc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262109443 244806326 /nfs/dbraw/zinc/80/63/26/244806326.db2.gz HQMKAZATWUKBMG-AAEUAGOBSA-N -1 0 335.360 2.330 20 5 EEBDRM CCCC[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000262269481 244895308 /nfs/dbraw/zinc/89/53/08/244895308.db2.gz IDDJCQTZYWFFCN-CYBMUJFWSA-N -1 0 347.327 2.222 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1[N+](=O)[O-] ZINC000262515122 245012701 /nfs/dbraw/zinc/01/27/01/245012701.db2.gz MUUHHZRAVFLRDV-UHFFFAOYSA-N -1 0 332.316 2.204 20 5 EEBDRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000262841203 245205909 /nfs/dbraw/zinc/20/59/09/245205909.db2.gz GYKBOGPWKTUYFE-INIZCTEOSA-N -1 0 346.343 2.044 20 5 EEBDRM CCc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262903518 245240263 /nfs/dbraw/zinc/24/02/63/245240263.db2.gz IFRPJBSAHHXOLP-GUTXKFCHSA-N -1 0 332.356 2.483 20 5 EEBDRM CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000101956627 204027166 /nfs/dbraw/zinc/02/71/66/204027166.db2.gz BFDRCYGASLITFV-LBPRGKRZSA-N -1 0 349.387 2.069 20 5 EEBDRM O=C([O-])CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000045622453 204329619 /nfs/dbraw/zinc/32/96/19/204329619.db2.gz IEDWBYPFQZSQRT-UHFFFAOYSA-N -1 0 343.133 2.047 20 5 EEBDRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000194455939 304194242 /nfs/dbraw/zinc/19/42/42/304194242.db2.gz NMKQXHWCTWUDNU-QWHCGFSZSA-N -1 0 347.371 2.178 20 5 EEBDRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000238040578 304207438 /nfs/dbraw/zinc/20/74/38/304207438.db2.gz LGISZMOSZUDXQE-OAHLLOKOSA-N -1 0 326.308 2.247 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000356606393 141024936 /nfs/dbraw/zinc/02/49/36/141024936.db2.gz ZBGJXVVPCUHADZ-SNVBAGLBSA-N -1 0 329.312 2.057 20 5 EEBDRM Cc1ccc(NCCCNC(=O)CC2(C(=O)[O-])CCC2)c([N+](=O)[O-])c1 ZINC000262428465 152279708 /nfs/dbraw/zinc/27/97/08/152279708.db2.gz BKGQQSHFWADDOZ-UHFFFAOYSA-N -1 0 349.387 2.466 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000263054397 152366009 /nfs/dbraw/zinc/36/60/09/152366009.db2.gz OCZBQWVGOJTPDB-KWBADKCTSA-N -1 0 338.385 2.397 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCc1ccccc1F ZINC000128560996 292344378 /nfs/dbraw/zinc/34/43/78/292344378.db2.gz SONQKCADVMBUHF-UHFFFAOYSA-N -1 0 342.323 2.394 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262782814 286771375 /nfs/dbraw/zinc/77/13/75/286771375.db2.gz LMYPDMONTMXBSB-SECBINFHSA-N -1 0 347.327 2.174 20 5 EEBDRM CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc2C1 ZINC000185173701 160029751 /nfs/dbraw/zinc/02/97/51/160029751.db2.gz QUHPLMIIFQZEFJ-UHFFFAOYSA-N -1 0 327.340 2.393 20 5 EEBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)c3ccc(F)cc3)c2c1 ZINC000135529395 292449238 /nfs/dbraw/zinc/44/92/38/292449238.db2.gz CDSMMYFIKHVXQJ-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-n3cccn3)cc2)[nH]1 ZINC000352013030 162028757 /nfs/dbraw/zinc/02/87/57/162028757.db2.gz GFLASSUPGICPDX-QPJJXVBHSA-N -1 0 325.284 2.152 20 5 EEBDRM CC(=O)Nc1ccc(O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000356300940 163398550 /nfs/dbraw/zinc/39/85/50/163398550.db2.gz XHSPUVHRDXRZGJ-UHFFFAOYSA-N -1 0 331.284 2.217 20 5 EEBDRM O=C(Nc1cnn(CC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000152400413 292490255 /nfs/dbraw/zinc/49/02/55/292490255.db2.gz KXUUEOIMZNTORK-UHFFFAOYSA-N -1 0 330.222 2.312 20 5 EEBDRM C[C@@](CO)(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)Cc1ccccc1 ZINC000360299268 164279492 /nfs/dbraw/zinc/27/94/92/164279492.db2.gz IZBQMBZNLJSIBB-SFHVURJKSA-N -1 0 344.367 2.272 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1[N+](=O)[O-] ZINC000361771400 164499809 /nfs/dbraw/zinc/49/98/09/164499809.db2.gz IRKSUOUHOCZLEQ-UHFFFAOYSA-N -1 0 332.288 2.296 20 5 EEBDRM CC(C)c1nc2c(n1C)CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C2 ZINC000272589012 268996153 /nfs/dbraw/zinc/99/61/53/268996153.db2.gz VJCVNLDOQJIKLG-UHFFFAOYSA-N -1 0 344.371 2.356 20 5 EEBDRM COc1cc(CNc2cc(C(=O)N(C)C)ccn2)cc([N+](=O)[O-])c1[O-] ZINC000274540760 274205592 /nfs/dbraw/zinc/20/55/92/274205592.db2.gz KRCCHNCKGZFEGZ-UHFFFAOYSA-N -1 0 346.343 2.018 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc1C ZINC000288249329 275038902 /nfs/dbraw/zinc/03/89/02/275038902.db2.gz BJXROALQZOWZEM-QMMMGPOBSA-N -1 0 326.296 2.441 20 5 EEBDRM CCOC(=O)C1CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000299501132 294758820 /nfs/dbraw/zinc/75/88/20/294758820.db2.gz CWSFQQLVFLOVMP-UHFFFAOYSA-N -1 0 336.344 2.152 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C ZINC000337683215 301012802 /nfs/dbraw/zinc/01/28/02/301012802.db2.gz WSGRMXYYXOCRKU-GZMMTYOYSA-N -1 0 342.373 2.068 20 5 EEBDRM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000152152528 303917151 /nfs/dbraw/zinc/91/71/51/303917151.db2.gz YTBHTLKWMHPGAF-GLQYFDAESA-N -1 0 332.356 2.378 20 5 EEBDRM O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000155755333 303953280 /nfs/dbraw/zinc/95/32/80/303953280.db2.gz JGBYTFIIMDSTPH-STQMWFEESA-N -1 0 330.344 2.411 20 5 EEBDRM CCNc1ccc(C(=O)Nc2ncc(C(=O)OCC)[n-]2)cc1[N+](=O)[O-] ZINC000415640170 313158329 /nfs/dbraw/zinc/15/83/29/313158329.db2.gz RBKQUBOWNVCUNN-UHFFFAOYSA-N -1 0 347.331 2.179 20 5 EEBDRM CN(CCCC(=O)[O-])c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000416423239 313219571 /nfs/dbraw/zinc/21/95/71/313219571.db2.gz TUFUHRVAUNQHCE-UHFFFAOYSA-N -1 0 335.360 2.132 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000422557713 314282113 /nfs/dbraw/zinc/28/21/13/314282113.db2.gz LEAQGDJDCSZNKJ-KOLCDFICSA-N -1 0 336.344 2.237 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H](OCc2ccccn2)C1 ZINC000436640931 314983415 /nfs/dbraw/zinc/98/34/15/314983415.db2.gz RTVCTDQWWBQOOL-AWEZNQCLSA-N -1 0 343.339 2.127 20 5 EEBDRM COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1OC ZINC000436859397 315006854 /nfs/dbraw/zinc/00/68/54/315006854.db2.gz BLPZIGZNTANFHX-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM Cc1ccnc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C2CC2)n1 ZINC000436955607 315015726 /nfs/dbraw/zinc/01/57/26/315015726.db2.gz GYBMEKLOYJMVHU-CQSZACIVSA-N -1 0 328.328 2.280 20 5 EEBDRM O=C(N[C@H](CO)c1c(F)cccc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436978936 315018509 /nfs/dbraw/zinc/01/85/09/315018509.db2.gz JWKQIIPHSNVCSV-LLVKDONJSA-N -1 0 338.266 2.042 20 5 EEBDRM Cn1nc(-c2ccncc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436979396 315019273 /nfs/dbraw/zinc/01/92/73/315019273.db2.gz KTAQCFRIHCQSOH-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000443422818 315246494 /nfs/dbraw/zinc/24/64/94/315246494.db2.gz OKTLVZJGBZTQKV-UHFFFAOYSA-N -1 0 337.357 2.362 20 5 EEBDRM C[C@H](C(=O)[O-])N(C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000515281771 316475877 /nfs/dbraw/zinc/47/58/77/316475877.db2.gz PNVMMMCGKCSJAL-LLVKDONJSA-N -1 0 335.360 2.175 20 5 EEBDRM C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000515383727 316488459 /nfs/dbraw/zinc/48/84/59/316488459.db2.gz UQPIBSQUYIKNLD-RISCZKNCSA-N -1 0 334.372 2.442 20 5 EEBDRM Cc1cc(S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000547901134 318333145 /nfs/dbraw/zinc/33/31/45/318333145.db2.gz MYJQKDXGZRLEMN-NSHDSACASA-N -1 0 344.389 2.215 20 5 EEBDRM O=C([O-])c1cc(NS(=O)(=O)CC2CCCC2)cc([N+](=O)[O-])c1 ZINC000548573262 318396530 /nfs/dbraw/zinc/39/65/30/318396530.db2.gz GKFOHXXJQCZREC-UHFFFAOYSA-N -1 0 328.346 2.225 20 5 EEBDRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])C1 ZINC000564100081 319067745 /nfs/dbraw/zinc/06/77/45/319067745.db2.gz SFPKSNUMDIOLBI-LNLATYFQSA-N -1 0 342.373 2.045 20 5 EEBDRM Cc1cc(N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)ncc1[N+](=O)[O-] ZINC000565040902 319142746 /nfs/dbraw/zinc/14/27/46/319142746.db2.gz MAIZCFRTGQCPBW-WFASDCNBSA-N -1 0 335.360 2.004 20 5 EEBDRM CO[C@H]([C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000567738629 319413797 /nfs/dbraw/zinc/41/37/97/319413797.db2.gz TVLFZCDCRIOXBI-WPPNPWJKSA-N -1 0 328.752 2.497 20 5 EEBDRM CC(C)N(C1CCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000571638010 319772987 /nfs/dbraw/zinc/77/29/87/319772987.db2.gz CGPJOFCFQSVFMM-UHFFFAOYSA-N -1 0 342.373 2.245 20 5 EEBDRM Cn1cc([C@@H]2CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000572177877 319822803 /nfs/dbraw/zinc/82/28/03/319822803.db2.gz FCIJAJYREYJYBC-HNNXBMFYSA-N -1 0 344.371 2.300 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000572875415 319885960 /nfs/dbraw/zinc/88/59/60/319885960.db2.gz HGGYWVCRGPCROP-CQSZACIVSA-N -1 0 344.389 2.071 20 5 EEBDRM O=C([O-])CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000574705713 320050208 /nfs/dbraw/zinc/05/02/08/320050208.db2.gz KNAWFRXLUJIBHZ-UHFFFAOYSA-N -1 0 345.311 2.486 20 5 EEBDRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000576588461 320186283 /nfs/dbraw/zinc/18/62/83/320186283.db2.gz TWJZLGXBJBCCLQ-JTQLQIEISA-N -1 0 329.312 2.476 20 5 EEBDRM COc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC000325644108 465029311 /nfs/dbraw/zinc/02/93/11/465029311.db2.gz FGDWAQJWALKQGD-CQSZACIVSA-N -1 0 330.296 2.159 20 5 EEBDRM CS(=O)(=O)c1ccc(NCCCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000336850058 465051892 /nfs/dbraw/zinc/05/18/92/465051892.db2.gz MEUUOYMKOQCPEP-UHFFFAOYSA-N -1 0 330.362 2.055 20 5 EEBDRM Cc1cc(N2CCN(c3ccccn3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578872029 468272182 /nfs/dbraw/zinc/27/21/82/468272182.db2.gz RCQWBKQBNSGWPV-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM CC(C)n1c(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n[nH]c1=S ZINC000066639173 462915699 /nfs/dbraw/zinc/91/56/99/462915699.db2.gz VHJWMZGXJKATRL-UHFFFAOYSA-N -1 0 337.361 2.065 20 5 EEBDRM CCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n(C)n1 ZINC000092877047 462986953 /nfs/dbraw/zinc/98/69/53/462986953.db2.gz XZWVKZIQFCQBJI-UHFFFAOYSA-N -1 0 338.389 2.390 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000120874265 463048243 /nfs/dbraw/zinc/04/82/43/463048243.db2.gz MMDQZBYFKMWDOX-CQSZACIVSA-N -1 0 347.327 2.287 20 5 EEBDRM CCc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000121381686 463127310 /nfs/dbraw/zinc/12/73/10/463127310.db2.gz CAGIMCOPHWCXIJ-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)c1C ZINC000160883821 463378939 /nfs/dbraw/zinc/37/89/39/463378939.db2.gz CMYOEVGGDDVYHO-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000040882520 463466108 /nfs/dbraw/zinc/46/61/08/463466108.db2.gz WWWVIRLRPSWIGM-UHFFFAOYSA-N -1 0 328.375 2.200 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000268942324 463819360 /nfs/dbraw/zinc/81/93/60/463819360.db2.gz UCUNDSQXJIQAEB-UHFFFAOYSA-N -1 0 335.360 2.034 20 5 EEBDRM Cc1cc(C)nc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000185709714 463866114 /nfs/dbraw/zinc/86/61/14/463866114.db2.gz LUUVYJBXMBTURR-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000194472579 463868919 /nfs/dbraw/zinc/86/89/19/463868919.db2.gz RZMOMEQYPLUWAH-VHSXEESVSA-N -1 0 329.312 2.126 20 5 EEBDRM CN1C(=O)Cc2cc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc21 ZINC000194689214 463909105 /nfs/dbraw/zinc/90/91/05/463909105.db2.gz CHUAMBFIHWPRKB-UHFFFAOYSA-N -1 0 327.296 2.072 20 5 EEBDRM Nc1ccc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262109446 463949877 /nfs/dbraw/zinc/94/98/77/463949877.db2.gz HQMKAZATWUKBMG-WCQYABFASA-N -1 0 335.360 2.330 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000262186264 463966803 /nfs/dbraw/zinc/96/68/03/463966803.db2.gz HBFUCJPHSCYTEH-VHSXEESVSA-N -1 0 326.374 2.302 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000262252683 463983874 /nfs/dbraw/zinc/98/38/74/463983874.db2.gz WZFYCTGBTKERAD-UHFFFAOYSA-N -1 0 335.360 2.156 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000172093060 463987283 /nfs/dbraw/zinc/98/72/83/463987283.db2.gz QFHFRHYJXJUIRR-CQSZACIVSA-N -1 0 343.339 2.127 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000263389887 464096502 /nfs/dbraw/zinc/09/65/02/464096502.db2.gz CQOMWOOOECVQKV-KRWDZBQOSA-N -1 0 347.371 2.274 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CCC(C(=O)[O-])CC2)s1 ZINC000263561433 464130245 /nfs/dbraw/zinc/13/02/45/464130245.db2.gz RXEIZJKTCALHIT-UHFFFAOYSA-N -1 0 348.402 2.115 20 5 EEBDRM Cc1cccn2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])nc12 ZINC000179487344 464144655 /nfs/dbraw/zinc/14/46/55/464144655.db2.gz ZDZQDOSOKMZTIL-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM CN(CC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000237065618 464259473 /nfs/dbraw/zinc/25/94/73/464259473.db2.gz IIQHVRKCBBATHF-UHFFFAOYSA-N -1 0 343.339 2.046 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000294467874 464508952 /nfs/dbraw/zinc/50/89/52/464508952.db2.gz FJIIXWCXFXFSJB-NEPJUHHUSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C(NCCc1ccc2c(c1)CCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182017277 464552631 /nfs/dbraw/zinc/55/26/31/464552631.db2.gz XRYOQJLKJFHMQR-UHFFFAOYSA-N -1 0 328.324 2.208 20 5 EEBDRM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182048851 464560740 /nfs/dbraw/zinc/56/07/40/464560740.db2.gz ZLYRNLCWXZSJGO-UHFFFAOYSA-N -1 0 327.296 2.437 20 5 EEBDRM Cn1nccc1C1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272511222 464638374 /nfs/dbraw/zinc/63/83/74/464638374.db2.gz JZHSGQZQAWDNSL-UHFFFAOYSA-N -1 0 330.344 2.054 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000282253370 464752875 /nfs/dbraw/zinc/75/28/75/464752875.db2.gz VWKSFNWTMCDORK-BZUAXINKSA-N -1 0 334.372 2.456 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC000182944322 464763589 /nfs/dbraw/zinc/76/35/89/464763589.db2.gz OCRJYHKTKUNJTB-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]OC[C@@H]1CCOC1 ZINC000276215653 464849735 /nfs/dbraw/zinc/84/97/35/464849735.db2.gz BKUCRYWJPWXZKY-GHMZBOCLSA-N -1 0 326.374 2.160 20 5 EEBDRM O=c1[n-]nc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)o1 ZINC000295484336 464854170 /nfs/dbraw/zinc/85/41/70/464854170.db2.gz YWUIGHDXOWDUBN-JTQLQIEISA-N -1 0 338.751 2.304 20 5 EEBDRM CN(CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCSC1 ZINC000351766383 465348540 /nfs/dbraw/zinc/34/85/40/465348540.db2.gz CKOPHHCPZSGXNR-SECBINFHSA-N -1 0 345.808 2.330 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000593919675 468434597 /nfs/dbraw/zinc/43/45/97/468434597.db2.gz ANUUBLZLDRUUCV-MRXNPFEDSA-N -1 0 334.328 2.031 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC2 ZINC000356780605 465536016 /nfs/dbraw/zinc/53/60/16/465536016.db2.gz SDYOVXPLQKOVSP-CYBMUJFWSA-N -1 0 344.371 2.365 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)CCc2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000338030935 465764728 /nfs/dbraw/zinc/76/47/28/465764728.db2.gz SGEHRQQNPFDDLF-VIFPVBQESA-N -1 0 336.373 2.147 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)s[n-]1 ZINC000338926896 466490796 /nfs/dbraw/zinc/49/07/96/466490796.db2.gz UDMSTCBCNZYGKR-SSDOTTSWSA-N -1 0 347.356 2.309 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000319072470 466593637 /nfs/dbraw/zinc/59/36/37/466593637.db2.gz ALEMFDXKDVGQGI-SECBINFHSA-N -1 0 325.321 2.168 20 5 EEBDRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000324708370 466649191 /nfs/dbraw/zinc/64/91/91/466649191.db2.gz CDEKSYODFJGPQH-HNNXBMFYSA-N -1 0 326.308 2.419 20 5 EEBDRM Cc1noc(C2(C)CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)n1 ZINC000374728834 466727375 /nfs/dbraw/zinc/72/73/75/466727375.db2.gz DXHOFUANFLUWJT-UHFFFAOYSA-N -1 0 346.343 2.186 20 5 EEBDRM CN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000378420079 467297177 /nfs/dbraw/zinc/29/71/77/467297177.db2.gz FIJSHESIQHJUEG-GFCCVEGCSA-N -1 0 341.323 2.389 20 5 EEBDRM O=C(NC1(CO)C2CC3CC(C2)CC1C3)c1cc([N+](=O)[O-])ccc1[O-] ZINC000413957303 467350436 /nfs/dbraw/zinc/35/04/36/467350436.db2.gz UOKMYLLLERBHKJ-UHFFFAOYSA-N -1 0 346.383 2.217 20 5 EEBDRM C[C@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C1(C)CC1 ZINC000385236034 467386439 /nfs/dbraw/zinc/38/64/39/467386439.db2.gz VKVZNHSRQURBSX-VIFPVBQESA-N -1 0 342.373 2.102 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000515386218 467989828 /nfs/dbraw/zinc/98/98/28/467989828.db2.gz JHALTQLXSHPCKO-KRWDZBQOSA-N -1 0 345.355 2.461 20 5 EEBDRM CO[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000516295628 468023805 /nfs/dbraw/zinc/02/38/05/468023805.db2.gz WBMWOUJWBFZFEI-UFBFGSQYSA-N -1 0 328.752 2.451 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000532678628 468131049 /nfs/dbraw/zinc/13/10/49/468131049.db2.gz OGIUKRYSZGOCCR-LBPRGKRZSA-N -1 0 336.344 2.077 20 5 EEBDRM CC(C)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000594468814 468597671 /nfs/dbraw/zinc/59/76/71/468597671.db2.gz UKTKXQWINCKLAC-ZDUSSCGKSA-N -1 0 349.387 2.282 20 5 EEBDRM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H](C)C(=O)OC(C)(C)C ZINC000597868135 468699012 /nfs/dbraw/zinc/69/90/12/468699012.db2.gz FLXDMTDCNVBTBO-SNVBAGLBSA-N -1 0 338.360 2.493 20 5 EEBDRM COC(=O)[C@]1(C)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592790412 468786761 /nfs/dbraw/zinc/78/67/61/468786761.db2.gz SXMZBANPJPPHAP-AWEZNQCLSA-N -1 0 342.735 2.122 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC2(CCO2)CC1 ZINC000592796372 468789153 /nfs/dbraw/zinc/78/91/53/468789153.db2.gz AADODCXSLBRETH-UHFFFAOYSA-N -1 0 326.736 2.349 20 5 EEBDRM O=C([O-])c1ccnc(N2CCN(Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000592967068 468830055 /nfs/dbraw/zinc/83/00/55/468830055.db2.gz GYPZRDPWPKEJDG-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCOc3ccccc3C2)n1 ZINC000592969843 468830928 /nfs/dbraw/zinc/83/09/28/468830928.db2.gz YKUVXHTWFYQQOC-UHFFFAOYSA-N -1 0 329.312 2.395 20 5 EEBDRM O=C([O-])c1cncc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000592975320 468831650 /nfs/dbraw/zinc/83/16/50/468831650.db2.gz CRHZAHNDROAIBA-UHFFFAOYSA-N -1 0 344.327 2.131 20 5 EEBDRM COc1cccc2c1OC[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000592972200 468832001 /nfs/dbraw/zinc/83/20/01/468832001.db2.gz WPRWQEQPJCDEDI-SNVBAGLBSA-N -1 0 345.311 2.112 20 5 EEBDRM O=C([O-])c1cncc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000592980201 468833800 /nfs/dbraw/zinc/83/38/00/468833800.db2.gz NZHDMVWXPNDSSR-GFCCVEGCSA-N -1 0 328.328 2.467 20 5 EEBDRM CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598583909 468922825 /nfs/dbraw/zinc/92/28/25/468922825.db2.gz HEGRWMRBEKJARJ-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1c(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cccc1[N+](=O)[O-] ZINC000598912186 469047344 /nfs/dbraw/zinc/04/73/44/469047344.db2.gz NGWRXEYVEWUOFC-SNVBAGLBSA-N -1 0 346.347 2.138 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000610845413 469087244 /nfs/dbraw/zinc/08/72/44/469087244.db2.gz GDMNIMCOEKDTTH-CQSZACIVSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCC1 ZINC000610853232 469090759 /nfs/dbraw/zinc/09/07/59/469090759.db2.gz VEURULGKAQDYSO-UHFFFAOYSA-N -1 0 331.328 2.451 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCOCC1 ZINC000596002241 469112709 /nfs/dbraw/zinc/11/27/09/469112709.db2.gz XCOHZFBAZLXGHX-UHFFFAOYSA-N -1 0 348.311 2.095 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@H](C(=O)[O-])O1 ZINC000593755758 469125657 /nfs/dbraw/zinc/12/56/57/469125657.db2.gz QRAKTSZJRLBNSJ-QMTHXVAHSA-N -1 0 338.360 2.450 20 5 EEBDRM O=[N+]([O-])c1cccc(CCN=c2nc(C3CCOCC3)[n-]s2)c1 ZINC000596176448 469188590 /nfs/dbraw/zinc/18/85/90/469188590.db2.gz AFTGEEGSGVJDSZ-UHFFFAOYSA-N -1 0 334.401 2.417 20 5 EEBDRM CN(CC(=O)N(C)C1CCCCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611553807 469277231 /nfs/dbraw/zinc/27/72/31/469277231.db2.gz BAOKFEJVJIUIQV-UHFFFAOYSA-N -1 0 349.387 2.164 20 5 EEBDRM CCC(C)(C)N(C)C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000619588953 469645547 /nfs/dbraw/zinc/64/55/47/469645547.db2.gz NWOUZQXCDOFCKN-CYBMUJFWSA-N -1 0 337.376 2.421 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000262788967 536954866 /nfs/dbraw/zinc/95/48/66/536954866.db2.gz KJZUONRNLRPPOV-QWRGUYRKSA-N -1 0 336.344 2.111 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)[O-])c2cccc(C)n2)c1 ZINC000738068349 577998206 /nfs/dbraw/zinc/99/82/06/577998206.db2.gz HLNHVHZVCRNGCO-UHFFFAOYSA-N -1 0 345.311 2.038 20 5 EEBDRM CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000219552021 575970578 /nfs/dbraw/zinc/97/05/78/575970578.db2.gz IUJXATZHVXRTRV-GFCCVEGCSA-N -1 0 336.344 2.247 20 5 EEBDRM COc1ccnc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000738127561 576600999 /nfs/dbraw/zinc/60/09/99/576600999.db2.gz RIKKDVBCAPGLNS-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM CS[C@H](CO)[C@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000738180867 576711999 /nfs/dbraw/zinc/71/19/99/576711999.db2.gz FZMHKKNSRAOQAY-XMUSAEORSA-N -1 0 326.374 2.217 20 5 EEBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1n[nH]c(=O)[n-]1 ZINC000775092091 577429465 /nfs/dbraw/zinc/42/94/65/577429465.db2.gz WGZBHBWZLIYBFH-UHFFFAOYSA-N -1 0 338.345 2.276 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000776510971 577461179 /nfs/dbraw/zinc/46/11/79/577461179.db2.gz FOIBCODUJRBCCQ-IUCAKERBSA-N -1 0 346.792 2.489 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000770764916 577603299 /nfs/dbraw/zinc/60/32/99/577603299.db2.gz DNZIOXQNGWGNCG-SECBINFHSA-N -1 0 344.364 2.365 20 5 EEBDRM COC(OC)[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000753085264 577781269 /nfs/dbraw/zinc/78/12/69/577781269.db2.gz LQWKTJQDLPIQQH-OAHLLOKOSA-N -1 0 346.339 2.390 20 5 EEBDRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000749047930 577970511 /nfs/dbraw/zinc/97/05/11/577970511.db2.gz QZLRWVWVLSKMBN-JTQLQIEISA-N -1 0 344.389 2.235 20 5 EEBDRM O=C([O-])c1ccc(OCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000739347212 578049344 /nfs/dbraw/zinc/04/93/44/578049344.db2.gz XLYSGMCYXNHCCX-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM O=C([O-])c1ccc(-c2nnn(Cc3c(F)cccc3[N+](=O)[O-])n2)cc1 ZINC000740099960 578080764 /nfs/dbraw/zinc/08/07/64/578080764.db2.gz LRMIFGZHTMOMIM-UHFFFAOYSA-N -1 0 343.274 2.134 20 5 EEBDRM C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000736674293 578217282 /nfs/dbraw/zinc/21/72/82/578217282.db2.gz XFMGXQJTMVZHRZ-ODBHDECVSA-N -1 0 349.387 2.214 20 5 EEBDRM CCNC(=O)c1cccc(Oc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000737858803 578271280 /nfs/dbraw/zinc/27/12/80/578271280.db2.gz WTHYYJCNJYEXEB-UHFFFAOYSA-N -1 0 331.284 2.230 20 5 EEBDRM COc1ccc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737961613 578274629 /nfs/dbraw/zinc/27/46/29/578274629.db2.gz VIHDGGMBQHXOLM-MRXNPFEDSA-N -1 0 344.323 2.088 20 5 EEBDRM O=C([O-])c1cccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000821392067 598144916 /nfs/dbraw/zinc/14/49/16/598144916.db2.gz CGRMCFDDRHDCHH-UHFFFAOYSA-N -1 0 344.279 2.089 20 5 EEBDRM CCc1[nH]nc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1[N+](=O)[O-] ZINC000830201747 600763711 /nfs/dbraw/zinc/76/37/11/600763711.db2.gz DYJDAKRNXWWRGZ-VIFPVBQESA-N -1 0 344.327 2.099 20 5 EEBDRM C[C@H](O)CC(C)(C)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000827790490 600816436 /nfs/dbraw/zinc/81/64/36/600816436.db2.gz QGXZLCBGPDJTNX-QMMMGPOBSA-N -1 0 341.320 2.410 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000831309496 600946306 /nfs/dbraw/zinc/94/63/06/600946306.db2.gz NRPNYGFYKUQFAW-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM CCc1ccc(C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)cc1[N+](=O)[O-] ZINC000830232306 601057268 /nfs/dbraw/zinc/05/72/68/601057268.db2.gz MZIQARNDTZWBSG-UHFFFAOYSA-N -1 0 331.284 2.208 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000833091083 601078023 /nfs/dbraw/zinc/07/80/23/601078023.db2.gz JDHXOOAHBXRUSK-ZDUSSCGKSA-N -1 0 334.259 2.299 20 5 EEBDRM CCCCCOC1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000829363533 601193790 /nfs/dbraw/zinc/19/37/90/601193790.db2.gz HRUWLMGKHDPOSI-UHFFFAOYSA-N -1 0 336.344 2.324 20 5 EEBDRM COCCN(CCC(=O)[O-])c1ccc(Br)cc1[N+](=O)[O-] ZINC000831729835 601262254 /nfs/dbraw/zinc/26/22/54/601262254.db2.gz AIGNWJKSVIPVPS-UHFFFAOYSA-N -1 0 347.165 2.285 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=S)NCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000832921833 601368163 /nfs/dbraw/zinc/36/81/63/601368163.db2.gz XJIVZLWLNNKKSZ-SNVBAGLBSA-N -1 0 325.390 2.293 20 5 EEBDRM CCC[C@@H]1C[C@@H]1Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000829257434 601378432 /nfs/dbraw/zinc/37/84/32/601378432.db2.gz ZFLXVBXTHCDQGF-BREBYQMCSA-N -1 0 335.360 2.398 20 5 EEBDRM CCC1(CNc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829065513 601382366 /nfs/dbraw/zinc/38/23/66/601382366.db2.gz MWSOBNWRTFKPRG-JTQLQIEISA-N -1 0 335.360 2.400 20 5 EEBDRM CCCCC[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000829349347 601404753 /nfs/dbraw/zinc/40/47/53/601404753.db2.gz WXASJOJWBTVJBZ-JTQLQIEISA-N -1 0 348.352 2.046 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000093433568 604468660 /nfs/dbraw/zinc/46/86/60/604468660.db2.gz KKGIGIDHGUOAGW-ZETCQYMHSA-N -1 0 330.138 2.196 20 5 EEBDRM C[C@]1(CCCO)CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833564602 604779803 /nfs/dbraw/zinc/77/98/03/604779803.db2.gz VZGBLTFZPHCDED-MRXNPFEDSA-N -1 0 336.344 2.060 20 5 EEBDRM CC(C)C(=O)N1CCC(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833462313 605172853 /nfs/dbraw/zinc/17/28/53/605172853.db2.gz HLQDZNOBQGGHIZ-UHFFFAOYSA-N -1 0 335.360 2.352 20 5 EEBDRM CN(CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000833693791 605338914 /nfs/dbraw/zinc/33/89/14/605338914.db2.gz RWAZIAQEXRECIW-UHFFFAOYSA-N -1 0 343.339 2.159 20 5 EEBDRM O=C(N[C@H]1CCc2ccccc2OC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000338270606 681902172 /nfs/dbraw/zinc/90/21/72/681902172.db2.gz ARVLYECFNLXGSW-ZDUSSCGKSA-N -1 0 328.324 2.424 20 5 EEBDRM Cc1c(C(=O)OCC(=O)NC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000007155782 694224712 /nfs/dbraw/zinc/22/47/12/694224712.db2.gz GDNKYWHOBRKRAW-UHFFFAOYSA-N -1 0 348.336 2.078 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000263367558 689734315 /nfs/dbraw/zinc/73/43/15/689734315.db2.gz UGZIHEKQRGFYGX-WCBMZHEXSA-N -1 0 326.736 2.431 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]CCn2cccc2)c1 ZINC000795876532 1215132178 /nfs/dbraw/zinc/13/21/78/1215132178.db2.gz RDCLUDIFFXIKJF-UHFFFAOYSA-N -1 0 347.755 2.167 20 5 EEBDRM CCc1oncc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000800844457 1234665722 /nfs/dbraw/zinc/66/57/22/1234665722.db2.gz ZWMLRSNAFBLNRK-UHFFFAOYSA-N -1 0 329.309 2.394 20 5 EEBDRM CC(=O)N[C@@H](CCC(C)C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000850019743 1276996637 /nfs/dbraw/zinc/99/66/37/1276996637.db2.gz JQCXNRWZGYHCNM-AWEZNQCLSA-N -1 0 338.360 2.285 20 5 EEBDRM O=C([N-]OCC1CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000850720058 1277313855 /nfs/dbraw/zinc/31/38/55/1277313855.db2.gz WJTMKUDNBNSERR-UHFFFAOYSA-N -1 0 327.724 2.035 20 5 EEBDRM CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885265 1277380643 /nfs/dbraw/zinc/38/06/43/1277380643.db2.gz BTGUHYRXDWXHMB-SNVBAGLBSA-N -1 0 344.364 2.365 20 5 EEBDRM CC(C)[C@@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886473 1277380861 /nfs/dbraw/zinc/38/08/61/1277380861.db2.gz WTWQCMIUBWHMSP-QMTHXVAHSA-N -1 0 344.364 2.221 20 5 EEBDRM COCOc1ccccc1-c1noc(-c2cnc([N+](=O)[O-])c([O-])c2)n1 ZINC001213596260 1296102528 /nfs/dbraw/zinc/10/25/28/1296102528.db2.gz UOOKRZQLYJJGCC-UHFFFAOYSA-N -1 0 344.283 2.395 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H](CC)C(C)(C)C)c1[N+](=O)[O-] ZINC001226019485 1301235090 /nfs/dbraw/zinc/23/50/90/1301235090.db2.gz AZPKOIONTZYKSF-QMMMGPOBSA-N -1 0 327.337 2.471 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC001226020802 1301235817 /nfs/dbraw/zinc/23/58/17/1301235817.db2.gz LRVFCGKARHDZLA-IUCAKERBSA-N -1 0 325.321 2.225 20 5 EEBDRM Cc1nnc(=S)[n-]c1OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001227599229 1301903885 /nfs/dbraw/zinc/90/38/85/1301903885.db2.gz VIGKTVLVIZGVGU-UHFFFAOYSA-N -1 0 347.400 2.425 20 5 EEBDRM COCCOc1cc(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])ccn1 ZINC000837619750 1315097591 /nfs/dbraw/zinc/09/75/91/1315097591.db2.gz ZAVNMIQRWUWCFZ-UHFFFAOYSA-N -1 0 348.311 2.078 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000842407113 1315698638 /nfs/dbraw/zinc/69/86/38/1315698638.db2.gz VXJDNHCPDVISPU-JTQLQIEISA-N -1 0 328.390 2.141 20 5 EEBDRM CS(=O)(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3[O-])nc2c1 ZINC001251009530 1317398429 /nfs/dbraw/zinc/39/84/29/1317398429.db2.gz NJEKKMPPVLBUJC-UHFFFAOYSA-N -1 0 333.325 2.247 20 5 EEBDRM Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCC2(CCC2)C1 ZINC001262891869 1322390827 /nfs/dbraw/zinc/39/08/27/1322390827.db2.gz INEIZRBCHSCRIE-UHFFFAOYSA-N -1 0 329.360 2.476 20 5 EEBDRM Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCC2(CCC2)C1 ZINC001262902575 1322392638 /nfs/dbraw/zinc/39/26/38/1322392638.db2.gz JGJVXUCGLBCXAP-UHFFFAOYSA-N -1 0 329.360 2.476 20 5 EEBDRM O=C1COCCN1c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001210400533 1325266818 /nfs/dbraw/zinc/26/68/18/1325266818.db2.gz JEQDJLYLHCIDPB-UHFFFAOYSA-N -1 0 329.312 2.407 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001601006453 1350187710 /nfs/dbraw/zinc/18/77/10/1350187710.db2.gz JAJIGIFNENESHI-RNJXMRFFSA-N -1 0 348.281 2.037 20 5 EEBDRM O=C([O-])[C@H](O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001608556803 1351715465 /nfs/dbraw/zinc/71/54/65/1351715465.db2.gz IETVIBVSZJGWRW-GFCCVEGCSA-N -1 0 348.277 2.276 20 5 EEBDRM C[C@@H](CS(=O)(=O)Oc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC001604209840 1350893627 /nfs/dbraw/zinc/89/36/27/1350893627.db2.gz PSQFNAPWAKHUED-QMMMGPOBSA-N -1 0 329.330 2.048 20 5 EEBDRM CCCC[C@H](OC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(=O)[O-] ZINC001605248812 1351115550 /nfs/dbraw/zinc/11/55/50/1351115550.db2.gz BRWWWKMDGUTWCS-JTQLQIEISA-N -1 0 339.329 2.400 20 5 EEBDRM COc1cccc(CNc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])c1 ZINC001605318070 1351134566 /nfs/dbraw/zinc/13/45/66/1351134566.db2.gz KUHYEZRAZDFUJZ-UHFFFAOYSA-N -1 0 332.345 2.457 20 5 EEBDRM O=C([O-])C1(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC001608317852 1351669734 /nfs/dbraw/zinc/66/97/34/1351669734.db2.gz PSHPGCJSQYAOSB-UHFFFAOYSA-N -1 0 326.736 2.304 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001608648794 1351733358 /nfs/dbraw/zinc/73/33/58/1351733358.db2.gz LRHQKLNKRRBFOR-MRVPVSSYSA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC001608769148 1351759064 /nfs/dbraw/zinc/75/90/64/1351759064.db2.gz BNDIGPWFVFWRKL-CYBMUJFWSA-N -1 0 328.324 2.411 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)[C@H]2CCc3cccnc32)c1 ZINC001608914750 1351792912 /nfs/dbraw/zinc/79/29/12/1351792912.db2.gz IBHXRRGAPLNNQD-ZDUSSCGKSA-N -1 0 342.307 2.461 20 5 EEBDRM O=C([O-])c1ccnc(N2CC[C@H](Oc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001608952829 1351802112 /nfs/dbraw/zinc/80/21/12/1351802112.db2.gz PHXMMZKVYUZYOG-LBPRGKRZSA-N -1 0 347.302 2.485 20 5 EEBDRM O=C([O-])c1ccnc(NCc2cnc(C(F)(F)F)nc2)c1[N+](=O)[O-] ZINC001608954008 1351802172 /nfs/dbraw/zinc/80/21/72/1351802172.db2.gz TUORTDPQGAZVEX-UHFFFAOYSA-N -1 0 343.221 2.109 20 5 EEBDRM O=C([O-])c1ccnc(NCc2ccc3c(=O)cc[nH]c3c2)c1[N+](=O)[O-] ZINC001608953520 1351802364 /nfs/dbraw/zinc/80/23/64/1351802364.db2.gz ARQDWRMLTOJAKX-UHFFFAOYSA-N -1 0 340.295 2.142 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001608974737 1351806145 /nfs/dbraw/zinc/80/61/45/1351806145.db2.gz JCIOSCNBYCQACA-LBPRGKRZSA-N -1 0 335.360 2.331 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cnn(C(F)F)c2)cc1[N+](=O)[O-] ZINC001609026614 1351818781 /nfs/dbraw/zinc/81/87/81/1351818781.db2.gz RRJKMXQRIFFKLM-UHFFFAOYSA-N -1 0 327.199 2.104 20 5 EEBDRM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccn(C)n2)cc1[N+](=O)[O-] ZINC001609719740 1352067609 /nfs/dbraw/zinc/06/76/09/1352067609.db2.gz OWTNHPJZRBXKCM-OAHLLOKOSA-N -1 0 332.360 2.367 20 5 EEBDRM C[C@@H]1CC(C)(C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001609841117 1352098865 /nfs/dbraw/zinc/09/88/65/1352098865.db2.gz GUYWTHDAKXLZDN-SECBINFHSA-N -1 0 342.373 2.102 20 5 EEBDRM CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001610080743 1352157900 /nfs/dbraw/zinc/15/79/00/1352157900.db2.gz YEHKSKYTQXHNKS-INIZCTEOSA-N -1 0 345.359 2.174 20 5 EEBDRM CCC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847893427 1338366453 /nfs/dbraw/zinc/36/64/53/1338366453.db2.gz AMKRAKIEZVCGGL-CMPLNLGQSA-N -1 0 341.389 2.011 20 5 EEBDRM COc1cc(C(=O)Oc2ccc(CC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001610289571 1352200794 /nfs/dbraw/zinc/20/07/94/1352200794.db2.gz RZCPGIOVMIXCNV-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCC[C@@H]2c2ncc[nH]2)n1 ZINC001610436836 1352222331 /nfs/dbraw/zinc/22/23/31/1352222331.db2.gz HNGQLDKXVOMVKS-LLVKDONJSA-N -1 0 331.332 2.451 20 5 EEBDRM O=C([O-])CCC(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001610766446 1352271198 /nfs/dbraw/zinc/27/11/98/1352271198.db2.gz XEBNDSBUOWSISW-UHFFFAOYSA-N -1 0 337.309 2.400 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC001610836386 1352282826 /nfs/dbraw/zinc/28/28/26/1352282826.db2.gz DIZBTIRXIUYMIT-UHFFFAOYSA-N -1 0 342.307 2.261 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC001610882239 1352290505 /nfs/dbraw/zinc/29/05/05/1352290505.db2.gz TYASCVHEBMXNDT-UHFFFAOYSA-N -1 0 338.222 2.323 20 5 EEBDRM C[C@H]1OC(C)(C)N[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001576901053 1344073462 /nfs/dbraw/zinc/07/34/62/1344073462.db2.gz YJPLVDUXQFJOEI-LHLIQPBNSA-N -1 0 329.740 2.005 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1C ZINC001599997866 1349952314 /nfs/dbraw/zinc/95/23/14/1349952314.db2.gz IHOWRZFLWPALJC-UHFFFAOYSA-N -1 0 329.316 2.428 20 5 EEBDRM Cc1c(NC(=O)NC[C@@]2(C)CCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600042350 1349960514 /nfs/dbraw/zinc/96/05/14/1349960514.db2.gz FCJBZQBWRAHDPT-OAHLLOKOSA-N -1 0 337.332 2.292 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC001600215699 1349994783 /nfs/dbraw/zinc/99/47/83/1349994783.db2.gz FIBOYCINTGYOFQ-RKDXNWHRSA-N -1 0 326.736 2.492 20 5 EEBDRM Cc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])nc(C)c1C(=O)[O-] ZINC001600273592 1350007950 /nfs/dbraw/zinc/00/79/50/1350007950.db2.gz ZFHFPEURNYVRTQ-UHFFFAOYSA-N -1 0 330.300 2.139 20 5 EEBDRM Cc1cc(NCCCN2CCCCC2=O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600280978 1350009946 /nfs/dbraw/zinc/00/99/46/1350009946.db2.gz NDTCYFDAWZXBGW-UHFFFAOYSA-N -1 0 335.360 2.416 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1Cl ZINC001600302486 1350015280 /nfs/dbraw/zinc/01/52/80/1350015280.db2.gz MKMYGDNYYDVQMU-IUCAKERBSA-N -1 0 326.736 2.492 20 5 EEBDRM Cc1nn(C)c(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1C(=O)[O-] ZINC001600304454 1350015451 /nfs/dbraw/zinc/01/54/51/1350015451.db2.gz RPDISSZCUAWWLY-UHFFFAOYSA-N -1 0 336.279 2.035 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001600748488 1350127163 /nfs/dbraw/zinc/12/71/63/1350127163.db2.gz UEZJEEQCHIEHKN-UHFFFAOYSA-N -1 0 341.323 2.195 20 5 EEBDRM Cn1c(Sc2nc(C(=O)[O-])ccc2[N+](=O)[O-])nnc1C1CCC1 ZINC001600921443 1350168829 /nfs/dbraw/zinc/16/88/29/1350168829.db2.gz JNDPRNWDXGCTKY-UHFFFAOYSA-N -1 0 335.345 2.235 20 5 EEBDRM NC(=O)c1cccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001601167807 1350223763 /nfs/dbraw/zinc/22/37/63/1350223763.db2.gz IUEWOHKIZSHZQI-FNORWQNLSA-N -1 0 341.323 2.404 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001601214091 1350233148 /nfs/dbraw/zinc/23/31/48/1350233148.db2.gz FTTYWIGKLSIQRX-LBPRGKRZSA-N -1 0 327.296 2.006 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001601216500 1350233598 /nfs/dbraw/zinc/23/35/98/1350233598.db2.gz DACFYSCKEJIUIX-LBPRGKRZSA-N -1 0 327.296 2.006 20 5 EEBDRM O=C([O-])[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@H]1CCOC1 ZINC001601654927 1350329323 /nfs/dbraw/zinc/32/93/23/1350329323.db2.gz GGZYVWIAGMHUMW-RYUDHWBXSA-N -1 0 335.360 2.018 20 5 EEBDRM O=C([O-])[C@H]1[C@H](O)CCCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001601752981 1350356851 /nfs/dbraw/zinc/35/68/51/1350356851.db2.gz LMZOGWAOFOTITM-ZYHUDNBSSA-N -1 0 349.170 2.312 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@@H]2CCc3cncn3C2)c([N+](=O)[O-])c1 ZINC001601883918 1350390518 /nfs/dbraw/zinc/39/05/18/1350390518.db2.gz UYQXSXLETOPVGL-RDNKVPPGSA-N -1 0 328.328 2.316 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC001602072598 1350430640 /nfs/dbraw/zinc/43/06/40/1350430640.db2.gz FMPIKHJMWUDBBF-UHFFFAOYSA-N -1 0 347.371 2.180 20 5 EEBDRM O=C([O-])CSCCC(=O)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001602097205 1350436762 /nfs/dbraw/zinc/43/67/62/1350436762.db2.gz QPFCMVGQAOKTHR-UHFFFAOYSA-N -1 0 338.385 2.472 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCOc3cc(O)ccc3C2)c([N+](=O)[O-])c1 ZINC001602120763 1350444119 /nfs/dbraw/zinc/44/41/19/1350444119.db2.gz KEJBJHKANNYECN-UHFFFAOYSA-N -1 0 344.323 2.327 20 5 EEBDRM O=C([O-])Cc1ccc(Nc2ccn(CC(F)F)n2)c([N+](=O)[O-])c1 ZINC001602128746 1350446236 /nfs/dbraw/zinc/44/62/36/1350446236.db2.gz UJGGTBXALKABIX-UHFFFAOYSA-N -1 0 326.259 2.427 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOC[C@H]2CC2CCC2)cc([N+](=O)[O-])c1 ZINC001602244557 1350475140 /nfs/dbraw/zinc/47/51/40/1350475140.db2.gz GBRJJXCBLQMMKZ-OAHLLOKOSA-N -1 0 348.355 2.324 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cnc3[nH]ccc3c2)cc([N+](=O)[O-])c1 ZINC001602249116 1350476547 /nfs/dbraw/zinc/47/65/47/1350476547.db2.gz HFYVPAOZCDNHQB-UHFFFAOYSA-N -1 0 326.268 2.373 20 5 EEBDRM O=C([O-])c1cc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cs1 ZINC001602268412 1350482121 /nfs/dbraw/zinc/48/21/21/1350482121.db2.gz IQVGAHDNGMFZSC-UHFFFAOYSA-N -1 0 331.309 2.113 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2cc(Cl)nc(Cl)c2)c1 ZINC001602298779 1350487716 /nfs/dbraw/zinc/48/77/16/1350487716.db2.gz FILZSHSWAHQASN-UHFFFAOYSA-N -1 0 344.110 2.205 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2cccc(F)c2Cl)c1=O ZINC001602302218 1350488735 /nfs/dbraw/zinc/48/87/35/1350488735.db2.gz XFADAIWUOAQUCR-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001602391997 1350509496 /nfs/dbraw/zinc/50/94/96/1350509496.db2.gz WBQFSQLWPWPNEB-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC001602405679 1350512019 /nfs/dbraw/zinc/51/20/19/1350512019.db2.gz FNAXSBNYVRTJLO-UHFFFAOYSA-N -1 0 328.284 2.487 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCn2ccc(C(F)(F)F)n2)n1 ZINC001602405916 1350512039 /nfs/dbraw/zinc/51/20/39/1350512039.db2.gz VULNHJTZKDQWDL-UHFFFAOYSA-N -1 0 345.237 2.015 20 5 EEBDRM O=C([O-])c1ccccc1OS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001602473480 1350527292 /nfs/dbraw/zinc/52/72/92/1350527292.db2.gz IOZRUGLJEFKVCE-UHFFFAOYSA-N -1 0 337.309 2.202 20 5 EEBDRM O=C([O-])c1cnc(Nc2cnn(Cc3ccccn3)c2)c([N+](=O)[O-])c1 ZINC001602537117 1350541367 /nfs/dbraw/zinc/54/13/67/1350541367.db2.gz KRDOXWWKRATRKV-UHFFFAOYSA-N -1 0 340.299 2.071 20 5 EEBDRM O=C([O-])c1nc(NC2CC=CC2)nc(NC2CC=CC2)c1[N+](=O)[O-] ZINC001602570261 1350548916 /nfs/dbraw/zinc/54/89/16/1350548916.db2.gz AGCQNHMTEFBXGE-UHFFFAOYSA-N -1 0 331.332 2.344 20 5 EEBDRM O=C([O-])C12CC(C1)CN2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001602624329 1350560410 /nfs/dbraw/zinc/56/04/10/1350560410.db2.gz YYXSYYBNFTZWLP-UHFFFAOYSA-N -1 0 344.245 2.303 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001603242039 1350670400 /nfs/dbraw/zinc/67/04/00/1350670400.db2.gz JXPMZWHULDVXLE-UHFFFAOYSA-N -1 0 329.692 2.085 20 5 EEBDRM CC(C)(NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nocc1C(=O)[O-] ZINC001603676418 1350740314 /nfs/dbraw/zinc/74/03/14/1350740314.db2.gz YJGCTYKUXWJPRG-UHFFFAOYSA-N -1 0 334.288 2.338 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC001605775807 1351222129 /nfs/dbraw/zinc/22/21/29/1351222129.db2.gz MAEQNWHBYNDHJN-LBPRGKRZSA-N -1 0 346.343 2.053 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001606140045 1351278271 /nfs/dbraw/zinc/27/82/71/1351278271.db2.gz YSJVBHLQZJRSJL-LSDHHAIUSA-N -1 0 334.372 2.487 20 5 EEBDRM CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001606177663 1351282407 /nfs/dbraw/zinc/28/24/07/1351282407.db2.gz NYKCAGCXELNFNF-ZDUSSCGKSA-N -1 0 349.343 2.190 20 5 EEBDRM COC(=O)[C@@H]1CC12CCN(c1ccc(CC(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001606381735 1351299133 /nfs/dbraw/zinc/29/91/33/1351299133.db2.gz MQMGEFSYFUIPCX-LBPRGKRZSA-N -1 0 348.355 2.001 20 5 EEBDRM COc1cc(C(=O)Nc2ncc(C(=O)[O-])s2)c([N+](=O)[O-])cc1F ZINC001607086132 1351412673 /nfs/dbraw/zinc/41/26/73/1351412673.db2.gz JPSLABAHLKXCJX-UHFFFAOYSA-N -1 0 341.276 2.150 20 5 EEBDRM COc1ccc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001607273969 1351463236 /nfs/dbraw/zinc/46/32/36/1351463236.db2.gz UPANSRISMAPWOF-CJNGLKHVSA-N -1 0 349.343 2.465 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC001607292218 1351466035 /nfs/dbraw/zinc/46/60/35/1351466035.db2.gz ZLSJWZPDHUODIZ-WBMJQRKESA-N -1 0 336.344 2.367 20 5 EEBDRM COc1cccc([C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001607330948 1351476212 /nfs/dbraw/zinc/47/62/12/1351476212.db2.gz CQZFZLPTZKEKDE-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM Cc1c(NC(=O)N2CC3(CC3(F)F)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607543422 1351513551 /nfs/dbraw/zinc/51/35/51/1351513551.db2.gz NQAHKHUCDYRMOR-UHFFFAOYSA-N -1 0 341.270 2.474 20 5 EEBDRM Cc1cc(C)cc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C(=O)[O-])c1 ZINC001607625942 1351528145 /nfs/dbraw/zinc/52/81/45/1351528145.db2.gz CDJMJPFKIWNRJT-HNNXBMFYSA-N -1 0 343.339 2.350 20 5 EEBDRM Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607693271 1351540983 /nfs/dbraw/zinc/54/09/83/1351540983.db2.gz CAXMBZMGKQVOGI-GIPNMCIBSA-N -1 0 333.344 2.023 20 5 EEBDRM Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607693269 1351541031 /nfs/dbraw/zinc/54/10/31/1351541031.db2.gz CAXMBZMGKQVOGI-BREBYQMCSA-N -1 0 333.344 2.023 20 5 EEBDRM Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C(=O)[O-])n2)cc1Cl ZINC001607801832 1351562102 /nfs/dbraw/zinc/56/21/02/1351562102.db2.gz RFVSFHVUGRYPEO-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1ccnc([C@@H]2CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC001607894116 1351581278 /nfs/dbraw/zinc/58/12/78/1351581278.db2.gz SPPOTUBVXNROTE-LLVKDONJSA-N -1 0 328.328 2.385 20 5 EEBDRM Cn1c(=O)oc2ccc(COc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cc21 ZINC001608077224 1351620142 /nfs/dbraw/zinc/62/01/42/1351620142.db2.gz JXWZJRYGJHAGSQ-UHFFFAOYSA-N -1 0 344.279 2.317 20 5 EEBDRM Nc1c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC001608267653 1351659390 /nfs/dbraw/zinc/65/93/90/1351659390.db2.gz LYMADGRLNLTJDE-CYBMUJFWSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])c1ccccc1CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001608365523 1351680010 /nfs/dbraw/zinc/68/00/10/1351680010.db2.gz UZDDVBBRRKBILM-UHFFFAOYSA-N -1 0 346.314 2.334 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@](O)(c2ccccc2)C1 ZINC000862808082 1369550346 /nfs/dbraw/zinc/55/03/46/1369550346.db2.gz VIOAAFGJKVSRJX-SFHVURJKSA-N -1 0 342.351 2.424 20 5 EEBDRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119323185 1369557686 /nfs/dbraw/zinc/55/76/86/1369557686.db2.gz OYLKNKRKBWVZSI-VIFPVBQESA-N -1 0 332.353 2.365 20 5 EEBDRM O=C([O-])C1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000237996587 774509025 /nfs/dbraw/zinc/50/90/25/774509025.db2.gz ZMXKEBHOFUPWQO-UHFFFAOYSA-N -1 0 347.352 2.455 20 5 EEBDRM O=[N+]([O-])c1cccnc1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167935888 780996070 /nfs/dbraw/zinc/99/60/70/780996070.db2.gz UDPAKXSUSAERJQ-UHFFFAOYSA-N -1 0 335.256 2.075 20 5 EEBDRM Cc1c(NC(=N)SCCS(=O)(=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001168090346 783543697 /nfs/dbraw/zinc/54/36/97/783543697.db2.gz JKYYICZMVBUEEN-UHFFFAOYSA-N -1 0 337.354 2.010 20 5 EEBDRM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CC(C)(C)OC1=O ZINC000843896230 788723121 /nfs/dbraw/zinc/72/31/21/788723121.db2.gz VOSOBROETLYWNC-SNVBAGLBSA-N -1 0 342.735 2.120 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000844208404 788927501 /nfs/dbraw/zinc/92/75/01/788927501.db2.gz QXWCLQNCAZAKGS-ZDUSSCGKSA-N -1 0 342.355 2.396 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@H]2Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211000 788928817 /nfs/dbraw/zinc/92/88/17/788928817.db2.gz DHNFBMDIXUYLIF-GFCCVEGCSA-N -1 0 329.316 2.276 20 5 EEBDRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000845505366 789819238 /nfs/dbraw/zinc/81/92/38/789819238.db2.gz AUBHAZJAPFIBMZ-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccccn2)cc1[N+](=O)[O-] ZINC000083955100 790164687 /nfs/dbraw/zinc/16/46/87/790164687.db2.gz AGUSHQHODZWVKT-UHFFFAOYSA-N -1 0 327.749 2.174 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)[N-]C(=O)CC(C)C ZINC000820938122 798598896 /nfs/dbraw/zinc/59/88/96/798598896.db2.gz AQYLLQGYPWYLOR-UHFFFAOYSA-N -1 0 334.781 2.408 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC000806026524 811723534 /nfs/dbraw/zinc/72/35/34/811723534.db2.gz WDDFTXUFNJMHIU-UHFFFAOYSA-N -1 0 344.414 2.319 20 5 EEBDRM O=C1OCc2c1cccc2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000808128416 812448283 /nfs/dbraw/zinc/44/82/83/812448283.db2.gz UHCQVDUSKXWWID-UHFFFAOYSA-N -1 0 334.309 2.066 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C(=O)[O-])cc1 ZINC000346013737 939128506 /nfs/dbraw/zinc/12/85/06/939128506.db2.gz JWQUJBVBWKLYES-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM CC[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165218366 949423171 /nfs/dbraw/zinc/42/31/71/949423171.db2.gz MNESBPWTEZFUMZ-SSDOTTSWSA-N -1 0 345.149 2.198 20 5 EEBDRM O=C([O-])Cn1cnc(NC(=O)c2cc3ccccc3c3cccnc23)n1 ZINC001595160509 952192231 /nfs/dbraw/zinc/19/22/31/952192231.db2.gz OFPISBSTUIDEGJ-UHFFFAOYSA-N -1 0 347.334 2.316 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001589303373 953711004 /nfs/dbraw/zinc/71/10/04/953711004.db2.gz REIVWYCXBDPSOF-UEEZHKSASA-N -1 0 332.356 2.410 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)[O-] ZINC001602983702 972006522 /nfs/dbraw/zinc/00/65/22/972006522.db2.gz NUJSDSYFSMVGAY-GFCCVEGCSA-N -1 0 346.343 2.072 20 5 EEBDRM O=C([O-])C1(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)CCSCC1 ZINC001594878256 954394507 /nfs/dbraw/zinc/39/45/07/954394507.db2.gz GRHCRXAFXAMNOI-UHFFFAOYSA-N -1 0 329.305 2.237 20 5 EEBDRM O=C([O-])C1(c2noc(-c3cc4nsnc4c([N+](=O)[O-])c3)n2)CCC1 ZINC001594884589 954449836 /nfs/dbraw/zinc/44/98/36/954449836.db2.gz KAIMZDRZJVNBQU-UHFFFAOYSA-N -1 0 347.312 2.156 20 5 EEBDRM CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001589545704 955198464 /nfs/dbraw/zinc/19/84/64/955198464.db2.gz CKBBPEFWWJFYJQ-SSDOTTSWSA-N -1 0 345.149 2.198 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC001594702281 956811671 /nfs/dbraw/zinc/81/16/71/956811671.db2.gz OMJNZNKLGZXMFF-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cc(C(=O)[O-])nn1C ZINC001594307628 957981526 /nfs/dbraw/zinc/98/15/26/957981526.db2.gz POTMOJSYKADLBY-UHFFFAOYSA-N -1 0 339.691 2.208 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594377840 958607420 /nfs/dbraw/zinc/60/74/20/958607420.db2.gz KGIRHBLCMMOJFA-QWHCGFSZSA-N -1 0 332.356 2.394 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001574680252 962579212 /nfs/dbraw/zinc/57/92/12/962579212.db2.gz WVIKYXMEEVERPX-SECBINFHSA-N -1 0 325.296 2.453 20 5 EEBDRM CON(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001574170979 962773015 /nfs/dbraw/zinc/77/30/15/962773015.db2.gz SRNGWLXATKZXLA-ZETCQYMHSA-N -1 0 348.764 2.203 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(Nc2ncnc3cccc([N+](=O)[O-])c32)cn1 ZINC001588620129 969890253 /nfs/dbraw/zinc/89/02/53/969890253.db2.gz NGLHHEZTIJBOIF-UHFFFAOYSA-N -1 0 342.315 2.298 20 5 EEBDRM C[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001605041891 972655186 /nfs/dbraw/zinc/65/51/86/972655186.db2.gz JSNRWNPRZUNUPG-ZKYQVNSYSA-N -1 0 336.344 2.042 20 5 EEBDRM CCNc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001603778709 974232365 /nfs/dbraw/zinc/23/23/65/974232365.db2.gz VQOUHWJYGFVRDL-ZWNOBZJWSA-N -1 0 335.360 2.494 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC001591751112 975802029 /nfs/dbraw/zinc/80/20/29/975802029.db2.gz INPLMQSOXULGPQ-LBPRGKRZSA-N -1 0 336.344 2.365 20 5 EEBDRM CCc1ncc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC000864175272 979814719 /nfs/dbraw/zinc/81/47/19/979814719.db2.gz NPCLHYGHQMJRDQ-HNNXBMFYSA-N -1 0 349.368 2.344 20 5 EEBDRM C[C@@](NC(=O)CCCn1cccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593018926 980265757 /nfs/dbraw/zinc/26/57/57/980265757.db2.gz BGSHMSZTWPIRGK-KRWDZBQOSA-N -1 0 345.355 2.293 20 5 EEBDRM CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H](C)C(=O)[O-] ZINC001595352238 980666862 /nfs/dbraw/zinc/66/68/62/980666862.db2.gz VNNZXDNCPAYOBQ-QMTHXVAHSA-N -1 0 347.327 2.437 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001594822146 981973838 /nfs/dbraw/zinc/97/38/38/981973838.db2.gz UFLPHJLVNROLIC-ZDUSSCGKSA-N -1 0 347.730 2.343 20 5 EEBDRM CCCCc1nc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cs1 ZINC001595798333 982610736 /nfs/dbraw/zinc/61/07/36/982610736.db2.gz DKMPDSDREKKJQI-UHFFFAOYSA-N -1 0 337.357 2.302 20 5 EEBDRM C[C@@H](C(=O)N[C@@](C)(CCF)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589380924 986460870 /nfs/dbraw/zinc/46/08/70/986460870.db2.gz JOSSGFFBDNIUCS-CLAHSXSESA-N -1 0 330.287 2.157 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001599832618 988696839 /nfs/dbraw/zinc/69/68/39/988696839.db2.gz KFLNKVORHUJEQL-LURJTMIESA-N -1 0 333.247 2.181 20 5 EEBDRM CN(C)c1nnc(Sc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])s1 ZINC001598365237 991515885 /nfs/dbraw/zinc/51/58/85/991515885.db2.gz LTZUMQDRTUGVCR-UHFFFAOYSA-N -1 0 340.386 2.291 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599622368 994101863 /nfs/dbraw/zinc/10/18/63/994101863.db2.gz ITXSGPYLMHEOCP-UHFFFAOYSA-N -1 0 334.284 2.133 20 5 EEBDRM C[C@@](NCc1c(F)cncc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593285760 994638669 /nfs/dbraw/zinc/63/86/69/994638669.db2.gz IWJNRWBRQNSPDP-HNNXBMFYSA-N -1 0 337.282 2.358 20 5 EEBDRM C[C@@]1(Br)C[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001593739260 996352430 /nfs/dbraw/zinc/35/24/30/996352430.db2.gz FJTXUNGWZZSKID-BXKDBHETSA-N -1 0 343.133 2.405 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001593771255 996463545 /nfs/dbraw/zinc/46/35/45/996463545.db2.gz NGKYJOGFWMEYQM-AWEZNQCLSA-N -1 0 325.296 2.453 20 5 EEBDRM CC1(C)CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1[C@@H]1CCCO1 ZINC001593936797 996921284 /nfs/dbraw/zinc/92/12/84/996921284.db2.gz VNHZGOVQYVOQBR-UONOGXRCSA-N -1 0 348.355 2.323 20 5 EEBDRM COC(=O)c1cc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])ccn1 ZINC001598933004 997805913 /nfs/dbraw/zinc/80/59/13/997805913.db2.gz CENVGOOYDYAFLK-UHFFFAOYSA-N -1 0 345.311 2.016 20 5 EEBDRM CO[C@H]1COCC[C@H]1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001599137990 998076652 /nfs/dbraw/zinc/07/66/52/998076652.db2.gz FIRXUHLLHXLWLU-SDBXPKJASA-N -1 0 344.751 2.410 20 5 EEBDRM COC(=O)c1ccnc(N(C)Cc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001599005680 998852145 /nfs/dbraw/zinc/85/21/45/998852145.db2.gz BCALRWMBVTZFLC-UHFFFAOYSA-N -1 0 345.311 2.111 20 5 EEBDRM C[C@@H]1C[C@H]1CNc1nc(NC[C@H]2C[C@H]2C)nc(C(=O)[O-])c1[N+](=O)[O-] ZINC001594278454 999078516 /nfs/dbraw/zinc/07/85/16/999078516.db2.gz XUGNNOYTQGHGDE-DOLQZWNJSA-N -1 0 335.364 2.219 20 5 EEBDRM CCCCCC[C@@](C)(NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)[O-] ZINC000236692849 242321393 /nfs/dbraw/zinc/32/13/93/242321393.db2.gz FOPXTTMNWOBWHN-OAHLLOKOSA-N -1 0 340.380 2.030 20 5 EEBDRM CCc1ccc(C(=O)N2CCSC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000262473817 244992987 /nfs/dbraw/zinc/99/29/87/244992987.db2.gz CLBOSDGEZDZZDB-GFCCVEGCSA-N -1 0 338.385 2.190 20 5 EEBDRM CC(C)[C@@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000262766930 245167687 /nfs/dbraw/zinc/16/76/87/245167687.db2.gz KYBSBEXAUANABP-JSGCOSHPSA-N -1 0 336.344 2.226 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[C@H]1C(=O)[O-] ZINC000263006063 245294444 /nfs/dbraw/zinc/29/44/44/245294444.db2.gz PGZBXSJROTXEAY-MWLCHTKSSA-N -1 0 331.328 2.259 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263064509 245316613 /nfs/dbraw/zinc/31/66/13/245316613.db2.gz XNXMZGMJLHRUOS-GFCCVEGCSA-N -1 0 333.344 2.248 20 5 EEBDRM C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C(=O)[O-])C1 ZINC000263105943 245330779 /nfs/dbraw/zinc/33/07/79/245330779.db2.gz UJTQYLVOFKYORT-MEBBXXQBSA-N -1 0 345.355 2.330 20 5 EEBDRM O=c1[n-]c(CSc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000092870382 218178894 /nfs/dbraw/zinc/17/88/94/218178894.db2.gz DNKJSDLMBBIFEU-UHFFFAOYSA-N -1 0 331.151 2.061 20 5 EEBDRM COCCN(Cc1ccc(C)o1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119202249 221264705 /nfs/dbraw/zinc/26/47/05/221264705.db2.gz CQELLTCLOXUJGC-UHFFFAOYSA-N -1 0 334.328 2.491 20 5 EEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000408513023 257984844 /nfs/dbraw/zinc/98/48/44/257984844.db2.gz SEWKPDXLROEDDA-UHFFFAOYSA-N -1 0 336.325 2.182 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000262743917 140892327 /nfs/dbraw/zinc/89/23/27/140892327.db2.gz HGITXOHHEXEYDM-CQSZACIVSA-N -1 0 342.348 2.346 20 5 EEBDRM Cc1c(Br)c(N(C)CCCC(=O)[O-])ncc1[N+](=O)[O-] ZINC000165656669 143819685 /nfs/dbraw/zinc/81/96/85/143819685.db2.gz NMOJHPZEPBKUIX-UHFFFAOYSA-N -1 0 332.154 2.362 20 5 EEBDRM CCCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C(=O)[O-] ZINC000262480958 152284311 /nfs/dbraw/zinc/28/43/11/152284311.db2.gz JYXPNEJETOENHG-GFCCVEGCSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000263022800 152359331 /nfs/dbraw/zinc/35/93/31/152359331.db2.gz UDZFMWJWDIOQTF-UHFFFAOYSA-N -1 0 332.312 2.396 20 5 EEBDRM Cc1nc2ccccc2n1CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130340569 292371848 /nfs/dbraw/zinc/37/18/48/292371848.db2.gz BYUWHAMRZSMDLT-UHFFFAOYSA-N -1 0 340.339 2.389 20 5 EEBDRM COC(=O)c1cc(C)nc(NC(C)(C)CCC(=O)[O-])c1[N+](=O)[O-] ZINC000263416028 160463305 /nfs/dbraw/zinc/46/33/05/160463305.db2.gz NZSGWPDCRZZEGZ-UHFFFAOYSA-N -1 0 325.321 2.140 20 5 EEBDRM CCC[C@H](C)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1=O ZINC000092545936 159222298 /nfs/dbraw/zinc/22/22/98/159222298.db2.gz QVNXNOWLZFZAOO-QWRGUYRKSA-N -1 0 335.360 2.276 20 5 EEBDRM Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000166190330 159749142 /nfs/dbraw/zinc/74/91/42/159749142.db2.gz WTVMGVMKWHNKHN-NSHDSACASA-N -1 0 343.339 2.366 20 5 EEBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000195076910 160206049 /nfs/dbraw/zinc/20/60/49/160206049.db2.gz MUPIGFSIACKHLZ-UHFFFAOYSA-N -1 0 340.295 2.119 20 5 EEBDRM COc1ccc(O)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000342640794 161080036 /nfs/dbraw/zinc/08/00/36/161080036.db2.gz UQEFFVMWLLUAEP-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM CCNc1cnc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cn1 ZINC000344189634 161205842 /nfs/dbraw/zinc/20/58/42/161205842.db2.gz RHXKYZKJAJAMFD-UHFFFAOYSA-N -1 0 328.288 2.239 20 5 EEBDRM O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000345213429 161282205 /nfs/dbraw/zinc/28/22/05/161282205.db2.gz ZTLDMBDOUHMEDI-GFCCVEGCSA-N -1 0 345.330 2.448 20 5 EEBDRM CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000353599369 162622283 /nfs/dbraw/zinc/62/22/83/162622283.db2.gz SKKOZJHRDRVANJ-UHFFFAOYSA-N -1 0 349.368 2.032 20 5 EEBDRM Cc1n[nH]cc1-c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])s1 ZINC000364020296 165005257 /nfs/dbraw/zinc/00/52/57/165005257.db2.gz JNCNJLGUBWVVQM-UHFFFAOYSA-N -1 0 346.328 2.103 20 5 EEBDRM COCCN(Cc1ccc(C)o1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159449113 225219664 /nfs/dbraw/zinc/21/96/64/225219664.db2.gz LEFOHRUZMVLSPX-UHFFFAOYSA-N -1 0 334.328 2.491 20 5 EEBDRM Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000279267442 269265113 /nfs/dbraw/zinc/26/51/13/269265113.db2.gz IZVLWHCXHITGOD-ZDUSSCGKSA-N -1 0 332.316 2.138 20 5 EEBDRM CCOc1cc(NC(=O)c2cnccn2)c([N+](=O)[O-])cc1OCC ZINC000280710932 269385812 /nfs/dbraw/zinc/38/58/12/269385812.db2.gz STTLILMNZXAGRY-UHFFFAOYSA-N -1 0 332.316 2.435 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000292434685 275427500 /nfs/dbraw/zinc/42/75/00/275427500.db2.gz DNVLXJYCILZVGP-LSDHHAIUSA-N -1 0 332.356 2.474 20 5 EEBDRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293334116 293183261 /nfs/dbraw/zinc/18/32/61/293183261.db2.gz LYFVXCXZYPWEPM-MRVPVSSYSA-N -1 0 329.740 2.281 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)c(Cl)c1 ZINC000161369079 311365177 /nfs/dbraw/zinc/36/51/77/311365177.db2.gz SVVIENHFISOEPD-MGCOHNPYSA-N -1 0 348.808 2.078 20 5 EEBDRM COC[C@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436793110 314998912 /nfs/dbraw/zinc/99/89/12/314998912.db2.gz ZEZQGJVTIGMGDX-ZDUSSCGKSA-N -1 0 330.340 2.288 20 5 EEBDRM CCC(=O)c1ccc([O-])c(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000436833593 315003821 /nfs/dbraw/zinc/00/38/21/315003821.db2.gz KEAYQDQJEMTUAU-UHFFFAOYSA-N -1 0 346.343 2.463 20 5 EEBDRM COC(=O)[C@@](C)(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000514728612 316417354 /nfs/dbraw/zinc/41/73/54/316417354.db2.gz AKCNHFXGLNHKHD-AWEZNQCLSA-N -1 0 342.735 2.025 20 5 EEBDRM C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000515383728 316488609 /nfs/dbraw/zinc/48/86/09/316488609.db2.gz UQPIBSQUYIKNLD-SMDDNHRTSA-N -1 0 334.372 2.442 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000540932732 318085041 /nfs/dbraw/zinc/08/50/41/318085041.db2.gz FJLSBQFLQWQBFV-GFCCVEGCSA-N -1 0 348.277 2.076 20 5 EEBDRM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000547910667 318333526 /nfs/dbraw/zinc/33/35/26/318333526.db2.gz RIJPVUOQSXBWGF-GFCCVEGCSA-N -1 0 344.389 2.023 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000548129846 318357999 /nfs/dbraw/zinc/35/79/99/318357999.db2.gz VNMQUBAUHHXQAF-LBPRGKRZSA-N -1 0 348.277 2.076 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-])c1C ZINC000548225866 318366348 /nfs/dbraw/zinc/36/63/48/318366348.db2.gz ZFPNNDSEIRDSAG-LLVKDONJSA-N -1 0 344.389 2.084 20 5 EEBDRM CC(C)CN(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000567804549 319420640 /nfs/dbraw/zinc/42/06/40/319420640.db2.gz NAMIAXVTSQEFBL-UHFFFAOYSA-N -1 0 342.373 2.102 20 5 EEBDRM Cc1ccc2c(c1)CN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])CCO2 ZINC000573567761 319946962 /nfs/dbraw/zinc/94/69/62/319946962.db2.gz NUGFGISJVLLEPV-UHFFFAOYSA-N -1 0 329.312 2.395 20 5 EEBDRM CN(C[C@H]1OCCc2ccccc21)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576521149 320179529 /nfs/dbraw/zinc/17/95/29/320179529.db2.gz RTZAYWBXGKZYQD-CQSZACIVSA-N -1 0 343.339 2.438 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000576994655 320222755 /nfs/dbraw/zinc/22/27/55/320222755.db2.gz SRFHHPUZRFCLAM-QGZVFWFLSA-N -1 0 345.355 2.461 20 5 EEBDRM C[NH+](C)[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccsc1 ZINC000578445878 320315118 /nfs/dbraw/zinc/31/51/18/320315118.db2.gz XDGHRCJVSGSHNT-LBPRGKRZSA-N -1 0 336.373 2.464 20 5 EEBDRM CO[C@@H]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578893129 323731341 /nfs/dbraw/zinc/73/13/41/323731341.db2.gz AUXJBCHHWCCAFE-PRHODGIISA-N -1 0 328.752 2.499 20 5 EEBDRM COc1cc(CN(C)c2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc(OC)c1 ZINC000581073997 324180842 /nfs/dbraw/zinc/18/08/42/324180842.db2.gz JAXACAJFOQJBFV-UHFFFAOYSA-N -1 0 347.327 2.342 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCN1CC(F)(F)F ZINC000582362526 324437904 /nfs/dbraw/zinc/43/79/04/324437904.db2.gz KXWOADCQTWDTJJ-SECBINFHSA-N -1 0 347.293 2.366 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC000583477135 324669375 /nfs/dbraw/zinc/66/93/75/324669375.db2.gz IVBMJBQISAHKBJ-UHFFFAOYSA-N -1 0 329.312 2.128 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nc(C(C)(C)C)no1 ZINC000184832553 465028346 /nfs/dbraw/zinc/02/83/46/465028346.db2.gz CYYXXCJESKXVGX-QMMMGPOBSA-N -1 0 334.332 2.472 20 5 EEBDRM CC(C)=CCCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000358398684 465100319 /nfs/dbraw/zinc/10/03/19/465100319.db2.gz YGRSLLBTIPJYGJ-UHFFFAOYSA-N -1 0 342.373 2.236 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCOc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000336991879 465137713 /nfs/dbraw/zinc/13/77/13/465137713.db2.gz GUXXTOFGNISCIT-UHFFFAOYSA-N -1 0 348.286 2.241 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000066585528 462908193 /nfs/dbraw/zinc/90/81/93/462908193.db2.gz BDYUHXBGGDLXIY-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc3ccncc32)c([N+](=O)[O-])n1 ZINC000535990492 468338884 /nfs/dbraw/zinc/33/88/84/468338884.db2.gz DEHVJOVQHDWUEY-UHFFFAOYSA-N -1 0 347.356 2.160 20 5 EEBDRM O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000122496934 463269114 /nfs/dbraw/zinc/26/91/14/463269114.db2.gz DINHDUYZQSKDNF-UHFFFAOYSA-N -1 0 328.263 2.166 20 5 EEBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1n1ccnc1 ZINC000097097778 463322696 /nfs/dbraw/zinc/32/26/96/463322696.db2.gz FGLHTMZVQMHLOD-SMDDNHRTSA-N -1 0 330.344 2.220 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2onc(C)c2C)ccc1[N+](=O)[O-] ZINC000151388680 463522093 /nfs/dbraw/zinc/52/20/93/463522093.db2.gz GMYRGMBKCINBBB-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM Cc1cccc2nc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cn21 ZINC000164594888 463626533 /nfs/dbraw/zinc/62/65/33/463626533.db2.gz QZYAQARNPWRKOA-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165107017 463638600 /nfs/dbraw/zinc/63/86/00/463638600.db2.gz JUGFTXUQYDQPRY-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)c([N+](=O)[O-])c1 ZINC000177676423 463763935 /nfs/dbraw/zinc/76/39/35/463763935.db2.gz OIMXEDFUOQBSCC-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1Cl ZINC000185801928 463880929 /nfs/dbraw/zinc/88/09/29/463880929.db2.gz YWCCAQLJUZFKID-UHFFFAOYSA-N -1 0 335.703 2.305 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000261879146 463886661 /nfs/dbraw/zinc/88/66/61/463886661.db2.gz TZMYPUPJFAVBRG-LLVKDONJSA-N -1 0 333.344 2.106 20 5 EEBDRM COc1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000262110546 463949501 /nfs/dbraw/zinc/94/95/01/463949501.db2.gz AUUXGKDOLLARRB-QKCSRTOESA-N -1 0 348.355 2.461 20 5 EEBDRM CCOc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262443940 464025946 /nfs/dbraw/zinc/02/59/46/464025946.db2.gz OHZHNIITYOALQV-GFCCVEGCSA-N -1 0 348.355 2.320 20 5 EEBDRM CCC[C@@](C)(NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000262484905 464030287 /nfs/dbraw/zinc/03/02/87/464030287.db2.gz BAJGMURLHHQWML-MRXNPFEDSA-N -1 0 333.344 2.309 20 5 EEBDRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000263324348 464085709 /nfs/dbraw/zinc/08/57/09/464085709.db2.gz OFPDVINNVAIQLS-WRXNHJIOSA-N -1 0 332.234 2.207 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000263336232 464087009 /nfs/dbraw/zinc/08/70/09/464087009.db2.gz MNGWGLZVMZYWMX-ONGXEEELSA-N -1 0 340.763 2.360 20 5 EEBDRM CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000236968690 464246744 /nfs/dbraw/zinc/24/67/44/464246744.db2.gz WFKDDOKSAMZCRE-UHFFFAOYSA-N -1 0 349.387 2.378 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N(C)C)n1 ZINC000181098678 464445114 /nfs/dbraw/zinc/44/51/14/464445114.db2.gz HEOLGWBBXIOYOC-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182070973 464565082 /nfs/dbraw/zinc/56/50/82/464565082.db2.gz DACVGSSFLJOEAB-KBPBESRZSA-N -1 0 330.344 2.411 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCN(c2nccs2)CC1 ZINC000176294607 464740878 /nfs/dbraw/zinc/74/08/78/464740878.db2.gz LSNZHMRSHPENGV-UHFFFAOYSA-N -1 0 348.384 2.109 20 5 EEBDRM Cc1nc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])nn1C ZINC000295351003 464799523 /nfs/dbraw/zinc/79/95/23/464799523.db2.gz GNNLPMHTNBOQOA-UHFFFAOYSA-N -1 0 329.238 2.303 20 5 EEBDRM CN1CCc2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2C1=O ZINC000356770465 465530269 /nfs/dbraw/zinc/53/02/69/465530269.db2.gz MJJYJNXIAAIKQW-UHFFFAOYSA-N -1 0 341.323 2.181 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCC(=O)[O-] ZINC000591353489 468456155 /nfs/dbraw/zinc/45/61/55/468456155.db2.gz WYBGKJYSSLUCBT-UHFFFAOYSA-N -1 0 325.321 2.370 20 5 EEBDRM Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc(C(=O)[O-])c1C ZINC000362626340 465892645 /nfs/dbraw/zinc/89/26/45/465892645.db2.gz GZAWMBCKCLDKIQ-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM O=C([O-])COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000362805172 466041408 /nfs/dbraw/zinc/04/14/08/466041408.db2.gz KAZURDNJPMXFBR-UHFFFAOYSA-N -1 0 336.325 2.050 20 5 EEBDRM CNC(=O)CCCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000357620934 466184468 /nfs/dbraw/zinc/18/44/68/466184468.db2.gz MOYILVNJPQOVRN-UHFFFAOYSA-N -1 0 329.740 2.199 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000591652247 468498033 /nfs/dbraw/zinc/49/80/33/468498033.db2.gz BVOYQIRAYOHGIT-INIZCTEOSA-N -1 0 348.311 2.047 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000456337398 467710601 /nfs/dbraw/zinc/71/06/01/467710601.db2.gz WVIQGANRRSONLE-MLGOLLRUSA-N -1 0 343.339 2.346 20 5 EEBDRM CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000493464214 467916999 /nfs/dbraw/zinc/91/69/99/467916999.db2.gz WHWVKDIBVNXNLH-VOTSOKGWSA-N -1 0 330.337 2.141 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000519535920 468168730 /nfs/dbraw/zinc/16/87/30/468168730.db2.gz ALGTUXIMPBMRJQ-KRWDZBQOSA-N -1 0 345.355 2.461 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnn(CCF)c2)c1C ZINC000600658872 468613038 /nfs/dbraw/zinc/61/30/38/468613038.db2.gz BEMJWQJKWZGAGH-UHFFFAOYSA-N -1 0 342.352 2.178 20 5 EEBDRM CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000592132497 468632585 /nfs/dbraw/zinc/63/25/85/468632585.db2.gz HLAMPIUDQXBPFC-QMMMGPOBSA-N -1 0 330.362 2.068 20 5 EEBDRM C[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@H]1C ZINC000592136528 468634483 /nfs/dbraw/zinc/63/44/83/468634483.db2.gz KIPHOFHSTXSEMO-UWVGGRQHSA-N -1 0 342.373 2.102 20 5 EEBDRM CCC[C@@](C)(NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000592145690 468636948 /nfs/dbraw/zinc/63/69/48/468636948.db2.gz XEPKWLQTDJLEHJ-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](C)C(=O)OC(C)(C)C ZINC000597875502 468701107 /nfs/dbraw/zinc/70/11/07/468701107.db2.gz QWKPOSQYMYKTIU-SNVBAGLBSA-N -1 0 338.360 2.493 20 5 EEBDRM CC[C@H](COCC1CC1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000595242766 468791082 /nfs/dbraw/zinc/79/10/82/468791082.db2.gz FJKSPAMUCMVIPJ-CYBMUJFWSA-N -1 0 336.344 2.228 20 5 EEBDRM C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595280676 468799497 /nfs/dbraw/zinc/79/94/97/468799497.db2.gz UXTHRKOFRTXNGX-YUMQZZPRSA-N -1 0 349.265 2.234 20 5 EEBDRM CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC000595283405 468800148 /nfs/dbraw/zinc/80/01/48/468800148.db2.gz UOYZXHYWMMOOFT-ZETCQYMHSA-N -1 0 345.149 2.293 20 5 EEBDRM CCSC1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000595348960 468820707 /nfs/dbraw/zinc/82/07/07/468820707.db2.gz PZYBWKABQKTUEP-UHFFFAOYSA-N -1 0 334.394 2.298 20 5 EEBDRM Cc1ccc(C[C@H](CO)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000592976683 468831871 /nfs/dbraw/zinc/83/18/71/468831871.db2.gz GPKCJZFHUXMNKQ-CYBMUJFWSA-N -1 0 345.355 2.320 20 5 EEBDRM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598485636 468883869 /nfs/dbraw/zinc/88/38/69/468883869.db2.gz SDEMLBWYLAPKFH-CJNGLKHVSA-N -1 0 336.344 2.152 20 5 EEBDRM C[C@@H](CC(C)(C)C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000593312243 468935596 /nfs/dbraw/zinc/93/55/96/468935596.db2.gz RZWYZNTYUUWQQW-VIFPVBQESA-N -1 0 344.389 2.396 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000598660233 468949711 /nfs/dbraw/zinc/94/97/11/468949711.db2.gz PBTMXUDSQVSQDP-UONOGXRCSA-N -1 0 343.339 2.364 20 5 EEBDRM CCOc1ccc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598668796 468952648 /nfs/dbraw/zinc/95/26/48/468952648.db2.gz CLNNPFSIKPTBOY-LBPRGKRZSA-N -1 0 336.344 2.463 20 5 EEBDRM Cn1ccnc1[C@@H]1OCC[C@H]1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000598697516 468962286 /nfs/dbraw/zinc/96/22/86/468962286.db2.gz CQGBUUWDVVXIJD-OGFXSKPRSA-N -1 0 344.327 2.213 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N=c2nc(CC(C)C)[n-]s2)c1 ZINC000598770047 468997090 /nfs/dbraw/zinc/99/70/90/468997090.db2.gz IPHMWFXZALHDQX-UHFFFAOYSA-N -1 0 336.373 2.328 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000595973445 469104046 /nfs/dbraw/zinc/10/40/46/469104046.db2.gz NOITWPOKPJCZKJ-CMPLNLGQSA-N -1 0 347.371 2.177 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)n1 ZINC000573850512 469219065 /nfs/dbraw/zinc/21/90/65/469219065.db2.gz QXUXFIWLLWTMPP-ZFWWWQNUSA-N -1 0 349.387 2.313 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596652191 469322089 /nfs/dbraw/zinc/32/20/89/469322089.db2.gz UFKFWHTXGSTOJC-ZDUSSCGKSA-N -1 0 335.360 2.237 20 5 EEBDRM Cc1cccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3[O-])nc12 ZINC000613979611 469826634 /nfs/dbraw/zinc/82/66/34/469826634.db2.gz UYDUKUZDZDLZEM-UHFFFAOYSA-N -1 0 340.339 2.229 20 5 EEBDRM Cn1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc21 ZINC000614043732 469837359 /nfs/dbraw/zinc/83/73/59/469837359.db2.gz FGSXKZMUSDYPPN-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM COc1ccc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000609145265 469896303 /nfs/dbraw/zinc/89/63/03/469896303.db2.gz HCNAGOGORAYDIJ-JGVFFNPUSA-N -1 0 328.346 2.137 20 5 EEBDRM CCC[C@](C)(NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000262484895 535761320 /nfs/dbraw/zinc/76/13/20/535761320.db2.gz BAJGMURLHHQWML-INIZCTEOSA-N -1 0 333.344 2.309 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000732906187 577196741 /nfs/dbraw/zinc/19/67/41/577196741.db2.gz VZLWJDUCTQQPLS-LLVKDONJSA-N -1 0 328.390 2.020 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000774283644 577393276 /nfs/dbraw/zinc/39/32/76/577393276.db2.gz WIWVBNKRXMPGQM-UHFFFAOYSA-N -1 0 344.414 2.319 20 5 EEBDRM CCc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000774541996 577402959 /nfs/dbraw/zinc/40/29/59/577402959.db2.gz ABIYVOFPWSYBCL-UHFFFAOYSA-N -1 0 348.380 2.417 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000776522304 577461452 /nfs/dbraw/zinc/46/14/52/577461452.db2.gz JFHJZRPWWFZLER-ONGXEEELSA-N -1 0 326.374 2.144 20 5 EEBDRM COc1nc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc(=O)[n-]1 ZINC000770523883 577598110 /nfs/dbraw/zinc/59/81/10/577598110.db2.gz VPQSRFYAMOOGJX-UHFFFAOYSA-N -1 0 339.691 2.109 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cnc(Cl)cn2)c1 ZINC000755098770 577819497 /nfs/dbraw/zinc/81/94/97/577819497.db2.gz CAPPXIUWRBCWJY-UHFFFAOYSA-N -1 0 342.764 2.456 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cncc(Cl)n2)c1 ZINC000755107432 577819671 /nfs/dbraw/zinc/81/96/71/577819671.db2.gz VFBNDYMHNZDFIO-UHFFFAOYSA-N -1 0 342.764 2.456 20 5 EEBDRM CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755136362 577820320 /nfs/dbraw/zinc/82/03/20/577820320.db2.gz AAGUGAIAAVTKTP-CQSZACIVSA-N -1 0 332.360 2.342 20 5 EEBDRM CC(C)CCS(=O)(=O)[N-]C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000755668786 577828850 /nfs/dbraw/zinc/82/88/50/577828850.db2.gz APPHJGVAWWGHGB-SNVBAGLBSA-N -1 0 346.380 2.330 20 5 EEBDRM COCCn1cc(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000746334696 577926246 /nfs/dbraw/zinc/92/62/46/577926246.db2.gz DMZCVTOJVSEZNG-HYXAFXHYSA-N -1 0 332.316 2.279 20 5 EEBDRM CNc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000746444231 577927856 /nfs/dbraw/zinc/92/78/56/577927856.db2.gz MHKUZHYSZVPFQG-UHFFFAOYSA-N -1 0 341.389 2.029 20 5 EEBDRM Cc1cccc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)c1[N+](=O)[O-] ZINC000738691618 578023919 /nfs/dbraw/zinc/02/39/19/578023919.db2.gz HJMNJDHEVOYRJV-UHFFFAOYSA-N -1 0 333.252 2.234 20 5 EEBDRM Cc1nn(CCC(=O)Oc2ccccc2CC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738922442 578031152 /nfs/dbraw/zinc/03/11/52/578031152.db2.gz IHYCJJMMCFOOIZ-UHFFFAOYSA-N -1 0 347.327 2.031 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000740089094 578080415 /nfs/dbraw/zinc/08/04/15/578080415.db2.gz QFDVXUHLTJHVOR-UHFFFAOYSA-N -1 0 331.240 2.454 20 5 EEBDRM CC(C)N1C[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000736474864 578206539 /nfs/dbraw/zinc/20/65/39/578206539.db2.gz PBFCNRUFNVSHIQ-FUEXJSSKSA-N -1 0 333.344 2.114 20 5 EEBDRM CC(C)[C@H]1CCCN1c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736656830 578216826 /nfs/dbraw/zinc/21/68/26/578216826.db2.gz MTDKPVPXOGXQNK-DGCLKSJQSA-N -1 0 349.387 2.423 20 5 EEBDRM C[C@H]1CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000736826296 578225911 /nfs/dbraw/zinc/22/59/11/578225911.db2.gz VFTZAQJUYZPFIX-ZETCQYMHSA-N -1 0 327.318 2.143 20 5 EEBDRM CC(C)(CCO)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826547012 600828168 /nfs/dbraw/zinc/82/81/68/600828168.db2.gz KYLVZAUSQHSUEJ-UHFFFAOYSA-N -1 0 327.293 2.022 20 5 EEBDRM COc1ccc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000832319008 600904873 /nfs/dbraw/zinc/90/48/73/600904873.db2.gz OXWXKTRUJSPYBC-NEPJUHHUSA-N -1 0 336.344 2.111 20 5 EEBDRM Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1[N+](=O)[O-] ZINC000833091353 601062880 /nfs/dbraw/zinc/06/28/80/601062880.db2.gz ODTBIMRJGNUMRB-ZDUSSCGKSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000833111792 601184283 /nfs/dbraw/zinc/18/42/83/601184283.db2.gz GLACQTOXOSWHAU-NEPJUHHUSA-N -1 0 335.312 2.212 20 5 EEBDRM CCCCC[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000829341356 601404392 /nfs/dbraw/zinc/40/43/92/601404392.db2.gz XZPVHVXEFNTHJY-LLVKDONJSA-N -1 0 344.389 2.215 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000833234730 601509824 /nfs/dbraw/zinc/50/98/24/601509824.db2.gz SMJRAGVZPAOUOF-UHFFFAOYSA-N -1 0 347.302 2.246 20 5 EEBDRM CC[C@H](CCO)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000828880178 601560369 /nfs/dbraw/zinc/56/03/69/601560369.db2.gz RRVGZMQSLGJKFL-MRVPVSSYSA-N -1 0 327.293 2.022 20 5 EEBDRM O=C([O-])COc1cccc(C(=O)OCCc2ccccc2[N+](=O)[O-])c1 ZINC000833259572 601900687 /nfs/dbraw/zinc/90/06/87/601900687.db2.gz NJUVUNVILNTZCS-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccnn2CC2CC2)cc([N+](=O)[O-])c1 ZINC000833298142 602065827 /nfs/dbraw/zinc/06/58/27/602065827.db2.gz OYJQSWGXJWZQOZ-UHFFFAOYSA-N -1 0 330.300 2.152 20 5 EEBDRM O=C([O-])CCN(C(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000833231739 602398459 /nfs/dbraw/zinc/39/84/59/602398459.db2.gz MPJHEDHIDSTADQ-UHFFFAOYSA-N -1 0 333.275 2.250 20 5 EEBDRM CC(=O)c1ccc(N(CCC(=O)[O-])C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000825951272 604348704 /nfs/dbraw/zinc/34/87/04/604348704.db2.gz DNAJQGUVCXRIQM-ZDUSSCGKSA-N -1 0 336.344 2.258 20 5 EEBDRM C[C@H]1C[C@H](CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833598322 604837111 /nfs/dbraw/zinc/83/71/11/604837111.db2.gz VOVSAYNFQFNIRO-DTWKUNHWSA-N -1 0 339.304 2.428 20 5 EEBDRM Cn1c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000833038871 604937870 /nfs/dbraw/zinc/93/78/70/604937870.db2.gz JGJUCKRBWVGGTD-UHFFFAOYSA-N -1 0 345.355 2.441 20 5 EEBDRM CC1([C@@H]2CCCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)OCCO1 ZINC000833563447 605386563 /nfs/dbraw/zinc/38/65/63/605386563.db2.gz FMALWMXEAJSVTQ-GFCCVEGCSA-N -1 0 336.344 2.272 20 5 EEBDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000176716094 678536133 /nfs/dbraw/zinc/53/61/33/678536133.db2.gz VFBFWLJYGSDPED-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM CCCn1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cn1 ZINC000132411647 1202102683 /nfs/dbraw/zinc/10/26/83/1202102683.db2.gz DNLDKBGTFAHPSL-UHFFFAOYSA-N -1 0 342.352 2.450 20 5 EEBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000778809922 1208361060 /nfs/dbraw/zinc/36/10/60/1208361060.db2.gz GHVMEDZXYLGPBH-UHFFFAOYSA-N -1 0 348.380 2.092 20 5 EEBDRM O=[N+]([O-])c1[n-]cnc1-c1nc(-c2cncc(Br)c2)no1 ZINC001212893163 1214378292 /nfs/dbraw/zinc/37/82/92/1214378292.db2.gz OZXYSWNHBCONSV-UHFFFAOYSA-N -1 0 337.093 2.192 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1C ZINC000802866419 1238479740 /nfs/dbraw/zinc/47/97/40/1238479740.db2.gz CHOYDIKYMXFUOB-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM CC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886518 1277380342 /nfs/dbraw/zinc/38/03/42/1277380342.db2.gz XQZMWPDNIBSCTR-KOLCDFICSA-N -1 0 344.364 2.365 20 5 EEBDRM CCn1nccc1[C@@H]1OCCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000851343580 1277562004 /nfs/dbraw/zinc/56/20/04/1277562004.db2.gz WYTLGTWSLNUNSK-XHDPSFHLSA-N -1 0 348.359 2.464 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C/c2ccco2)ccc1[N+](=O)[O-] ZINC000115924939 1294039190 /nfs/dbraw/zinc/03/91/90/1294039190.db2.gz DJXRVTYIKODDGU-QPJJXVBHSA-N -1 0 336.325 2.015 20 5 EEBDRM COc1ccc(OC)c(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)c1 ZINC001213595914 1296102678 /nfs/dbraw/zinc/10/26/78/1296102678.db2.gz CFLOGWWPUMORRG-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000864230535 1296467286 /nfs/dbraw/zinc/46/72/86/1296467286.db2.gz ZIBCGLANKPWCTE-CYBMUJFWSA-N -1 0 331.328 2.188 20 5 EEBDRM O=[N+]([O-])C[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001225490726 1301020776 /nfs/dbraw/zinc/02/07/76/1301020776.db2.gz JTRRMGMGXPYRKH-OAHLLOKOSA-N -1 0 348.267 2.426 20 5 EEBDRM CCOC(=O)C[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccccc1 ZINC001226330012 1301360065 /nfs/dbraw/zinc/36/00/65/1301360065.db2.gz OHZROGCTLUADAS-LBPRGKRZSA-N -1 0 333.300 2.164 20 5 EEBDRM Cc1nc(OC2CC(C)(C)N(O)C(C)(C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229375602 1302753248 /nfs/dbraw/zinc/75/32/48/1302753248.db2.gz JOJHQLPERRZMIG-UHFFFAOYSA-N -1 0 326.353 2.188 20 5 EEBDRM O=C1OC[C@@H](COc2cc3c4ccc(O)cc4oc(=O)c3cc2O)O1 ZINC001229802735 1302950487 /nfs/dbraw/zinc/95/04/87/1302950487.db2.gz KZJXYDHNZBASAM-SECBINFHSA-N -1 0 344.275 2.272 20 5 EEBDRM COC(=O)CC1CCC(Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])CC1 ZINC001231076215 1303613969 /nfs/dbraw/zinc/61/39/69/1303613969.db2.gz LPFURDVQPKCJSN-UHFFFAOYSA-N -1 0 345.739 2.245 20 5 EEBDRM CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000781827118 1303874274 /nfs/dbraw/zinc/87/42/74/1303874274.db2.gz ZQVRDQYMFAQQID-SECBINFHSA-N -1 0 344.364 2.365 20 5 EEBDRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000781837895 1303876994 /nfs/dbraw/zinc/87/69/94/1303876994.db2.gz PRNZVTVBYOBTMF-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM O=C(Nc1cc[nH]n1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798164751 1304933859 /nfs/dbraw/zinc/93/38/59/1304933859.db2.gz ROPOMHIDEMTIBF-UHFFFAOYSA-N -1 0 348.706 2.115 20 5 EEBDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000798897115 1305113927 /nfs/dbraw/zinc/11/39/27/1305113927.db2.gz OAMKBXFQLGCPCS-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)C(=O)[N-]OC2CCCCC2)cc1[N+](=O)[O-] ZINC001117535758 1306104290 /nfs/dbraw/zinc/10/42/90/1306104290.db2.gz KRXITMVSSBVESQ-LBPRGKRZSA-N -1 0 349.387 2.461 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc(N)ccc2C)c([N+](=O)[O-])c1 ZINC001248474997 1310908758 /nfs/dbraw/zinc/90/87/58/1310908758.db2.gz KPZLCMMVRVZEEC-UHFFFAOYSA-N -1 0 337.357 2.295 20 5 EEBDRM O=C([O-])CCC(=O)CNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001160873664 1320300012 /nfs/dbraw/zinc/30/00/12/1320300012.db2.gz CUNJLBQWNRMALE-UHFFFAOYSA-N -1 0 338.707 2.037 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000835028046 1314894192 /nfs/dbraw/zinc/89/41/92/1314894192.db2.gz ITMLVOSEKSSIRJ-GRYCIOLGSA-N -1 0 340.401 2.472 20 5 EEBDRM CC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000835275680 1314908695 /nfs/dbraw/zinc/90/86/95/1314908695.db2.gz GKJMROIHXFAFMA-NXEZZACHSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000835401635 1314916593 /nfs/dbraw/zinc/91/65/93/1314916593.db2.gz MDFRTFFZUNRCMF-UHFFFAOYSA-N -1 0 342.417 2.085 20 5 EEBDRM CC/C=C(/C)C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842404773 1315698399 /nfs/dbraw/zinc/69/83/99/1315698399.db2.gz AIXDMYFMAQQECD-POHAHGRESA-N -1 0 326.374 2.206 20 5 EEBDRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001608513077 1351707312 /nfs/dbraw/zinc/70/73/12/1351707312.db2.gz UPZHRHVMAFYMMG-LLVKDONJSA-N -1 0 345.315 2.146 20 5 EEBDRM Cc1c(Cl)c(C(=O)[O-])nn1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001600015699 1349955750 /nfs/dbraw/zinc/95/57/50/1349955750.db2.gz CRZRAPWXMXRONU-UHFFFAOYSA-N -1 0 336.735 2.425 20 5 EEBDRM O=C([O-])c1nn(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC001602584943 1350551077 /nfs/dbraw/zinc/55/10/77/1350551077.db2.gz LKFPETHWHISFEV-OCAPTIKFSA-N -1 0 349.265 2.427 20 5 EEBDRM Cc1oc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1C(=O)[O-] ZINC001608047970 1351613427 /nfs/dbraw/zinc/61/34/27/1351613427.db2.gz ANGHSCQLAZYRDP-UHFFFAOYSA-N -1 0 345.311 2.420 20 5 EEBDRM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C/C=C/Cl ZINC001309929402 1331648125 /nfs/dbraw/zinc/64/81/25/1331648125.db2.gz WHPHFDKPZWYFLU-OWOJBTEDSA-N -1 0 329.136 2.418 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC001608914830 1351793382 /nfs/dbraw/zinc/79/33/82/1351793382.db2.gz MDOVTBKVABGPMV-CYBMUJFWSA-N -1 0 347.371 2.036 20 5 EEBDRM O=C([O-])C1(OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC001609014395 1351814823 /nfs/dbraw/zinc/81/48/23/1351814823.db2.gz BYTZABASRJIBHB-UHFFFAOYSA-N -1 0 330.090 2.131 20 5 EEBDRM O=C([O-])c1cccn2cc(COC(=O)c3ccccc3[N+](=O)[O-])nc12 ZINC001609025078 1351818200 /nfs/dbraw/zinc/81/82/00/1351818200.db2.gz CPSNUHHNKYNKHG-UHFFFAOYSA-N -1 0 341.279 2.298 20 5 EEBDRM C/C(=C/C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001327459948 1334296362 /nfs/dbraw/zinc/29/63/62/1334296362.db2.gz PYGKJZPBTUVKJI-NTMALXAHSA-N -1 0 326.374 2.392 20 5 EEBDRM CCOC(=O)[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC001332483854 1335832723 /nfs/dbraw/zinc/83/27/23/1335832723.db2.gz ZKSCWSQIYSIWCM-NSHDSACASA-N -1 0 342.735 2.025 20 5 EEBDRM CC(C)c1cc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)on1 ZINC001609718988 1352067740 /nfs/dbraw/zinc/06/77/40/1352067740.db2.gz MQVPSSDGBJNDMR-UHFFFAOYSA-N -1 0 349.343 2.459 20 5 EEBDRM C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC001609771200 1352080901 /nfs/dbraw/zinc/08/09/01/1352080901.db2.gz GFVUUJGOIBRNAG-YFKPBYRVSA-N -1 0 327.343 2.302 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CCCC[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001609852406 1352102287 /nfs/dbraw/zinc/10/22/87/1352102287.db2.gz IGYIPSQBOMMPCS-RYUDHWBXSA-N -1 0 349.387 2.424 20 5 EEBDRM CC[C@@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001609948402 1352127000 /nfs/dbraw/zinc/12/70/00/1352127000.db2.gz QPZNDYOUCPGHGC-WCQYABFASA-N -1 0 338.360 2.058 20 5 EEBDRM CCc1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001610070685 1352155516 /nfs/dbraw/zinc/15/55/16/1352155516.db2.gz RYHBUYMTFQOTRW-UHFFFAOYSA-N -1 0 335.341 2.493 20 5 EEBDRM CC[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847893443 1338366422 /nfs/dbraw/zinc/36/64/22/1338366422.db2.gz AXXHTVWCPDWQFQ-CMPLNLGQSA-N -1 0 341.389 2.011 20 5 EEBDRM COc1ccc(COC(=O)c2cncc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001610336722 1352207190 /nfs/dbraw/zinc/20/71/90/1352207190.db2.gz QEXFSRDMIWOTAK-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM Cc1cc(COC(=O)COc2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC001610462151 1352226787 /nfs/dbraw/zinc/22/67/87/1352226787.db2.gz VAOYNDIYGZNLIO-UHFFFAOYSA-N -1 0 335.268 2.317 20 5 EEBDRM Cc1c(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cnn1CC(=O)[O-] ZINC001610508601 1352235745 /nfs/dbraw/zinc/23/57/45/1352235745.db2.gz NXYBLPFJOFMBDT-UHFFFAOYSA-N -1 0 333.304 2.137 20 5 EEBDRM Cn1cc(-c2cc(COc3cc(C(=O)[O-])ccc3[N+](=O)[O-])on2)cn1 ZINC001610599924 1352251940 /nfs/dbraw/zinc/25/19/40/1352251940.db2.gz NREIFKJLDQCKLM-UHFFFAOYSA-N -1 0 344.283 2.261 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001610648890 1352257574 /nfs/dbraw/zinc/25/75/74/1352257574.db2.gz GRQSLALXKRRAOX-UHFFFAOYSA-N -1 0 349.274 2.032 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)NCC2=CCCCC2)cc1[N+](=O)[O-] ZINC001610839448 1352283409 /nfs/dbraw/zinc/28/34/09/1352283409.db2.gz ABGRMMHIYHHJSU-UHFFFAOYSA-N -1 0 340.357 2.072 20 5 EEBDRM Cc1cc(N2CCO[C@@H](C(F)F)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600241087 1350000118 /nfs/dbraw/zinc/00/01/18/1350000118.db2.gz NCNLGWPVRIRNHV-LLVKDONJSA-N -1 0 330.287 2.462 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(CC(=O)[O-])n2)c1F ZINC001600304493 1350015850 /nfs/dbraw/zinc/01/58/50/1350015850.db2.gz UQKMWDLKAVXEKP-UHFFFAOYSA-N -1 0 333.275 2.317 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001600307618 1350016679 /nfs/dbraw/zinc/01/66/79/1350016679.db2.gz SEUZKZADBCLXKQ-SECBINFHSA-N -1 0 334.357 2.447 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001600489721 1350064413 /nfs/dbraw/zinc/06/44/13/1350064413.db2.gz XKRKORSEZZZTOA-YPMHNXCESA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1C(=O)[O-] ZINC001600551124 1350080499 /nfs/dbraw/zinc/08/04/99/1350080499.db2.gz UCDSZIDPOOJPKO-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1nc(CCOC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cs1 ZINC001600699697 1350118269 /nfs/dbraw/zinc/11/82/69/1350118269.db2.gz QHYCBXNYDNKWRT-UHFFFAOYSA-N -1 0 336.325 2.457 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001600748421 1350127239 /nfs/dbraw/zinc/12/72/39/1350127239.db2.gz QGJKOUWBHWDTLX-UHFFFAOYSA-N -1 0 327.296 2.199 20 5 EEBDRM Cn1c(Cl)cnc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001600918202 1350168419 /nfs/dbraw/zinc/16/84/19/1350168419.db2.gz OSITUUZRWVDWKS-CQSZACIVSA-N -1 0 338.751 2.071 20 5 EEBDRM Cn1nc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001601014925 1350190324 /nfs/dbraw/zinc/19/03/24/1350190324.db2.gz BPTLXOLNMXRDOT-UHFFFAOYSA-N -1 0 347.331 2.083 20 5 EEBDRM Cn1ncc(C2CCC2)c1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001601028199 1350193443 /nfs/dbraw/zinc/19/34/43/1350193443.db2.gz YYLALLRCZLHOFH-UHFFFAOYSA-N -1 0 331.332 2.301 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccnc1 ZINC001601402899 1350275672 /nfs/dbraw/zinc/27/56/72/1350275672.db2.gz AHRXIMZGKIXEOJ-LBPRGKRZSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001601572012 1350309895 /nfs/dbraw/zinc/30/98/95/1350309895.db2.gz QBRCAOSWRWKWGL-MELADBBJSA-N -1 0 347.371 2.347 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc(Cl)c1F ZINC001601589482 1350314501 /nfs/dbraw/zinc/31/45/01/1350314501.db2.gz MNCLNPJUFVEJNH-UHFFFAOYSA-N -1 0 328.643 2.061 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]([C@H]2CCCO2)C1 ZINC001601826897 1350373646 /nfs/dbraw/zinc/37/36/46/1350373646.db2.gz ABAZZCPXHPEYRB-VHDGCEQUSA-N -1 0 348.355 2.079 20 5 EEBDRM O=C([O-])COc1cccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC001602091578 1350435157 /nfs/dbraw/zinc/43/51/57/1350435157.db2.gz AFNDYSDZAZJSFZ-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2CCC3(CC2)OCCO3)ccc1[N+](=O)[O-] ZINC001602231914 1350471890 /nfs/dbraw/zinc/47/18/90/1350471890.db2.gz CTHNCEVKVYCYEA-UHFFFAOYSA-N -1 0 342.735 2.290 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCC(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC001602249914 1350476390 /nfs/dbraw/zinc/47/63/90/1350476390.db2.gz WOLXZWUMCAGFDQ-UHFFFAOYSA-N -1 0 329.264 2.333 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cnn3ccccc23)cc1[N+](=O)[O-] ZINC001602386158 1350508091 /nfs/dbraw/zinc/50/80/91/1350508091.db2.gz CDORRYUUBNQKAT-UHFFFAOYSA-N -1 0 327.252 2.160 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@H](CO)c3ccccc32)c1 ZINC001602404728 1350512014 /nfs/dbraw/zinc/51/20/14/1350512014.db2.gz CWAHQASLAVYBSU-CYBMUJFWSA-N -1 0 328.324 2.389 20 5 EEBDRM O=C([O-])c1ccc2cc(CCNc3ncc([N+](=O)[O-])cn3)oc2c1 ZINC001602428146 1350517088 /nfs/dbraw/zinc/51/70/88/1350517088.db2.gz LIRRLZJNXNMVOW-UHFFFAOYSA-N -1 0 328.284 2.484 20 5 EEBDRM O=C([O-])c1cccc(C(=O)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC001602432556 1350518485 /nfs/dbraw/zinc/51/84/85/1350518485.db2.gz UYHTZDXQEOQUEQ-UHFFFAOYSA-N -1 0 342.263 2.084 20 5 EEBDRM O=C([O-])c1cnc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])s1 ZINC001602522788 1350538155 /nfs/dbraw/zinc/53/81/55/1350538155.db2.gz CEEBIZBBBBKZLQ-UHFFFAOYSA-N -1 0 348.315 2.471 20 5 EEBDRM O=C([O-])c1nccnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001602578299 1350550409 /nfs/dbraw/zinc/55/04/09/1350550409.db2.gz CKTJBTYPGVVITP-UHFFFAOYSA-N -1 0 344.327 2.131 20 5 EEBDRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001604062376 1350843236 /nfs/dbraw/zinc/84/32/36/1350843236.db2.gz WIWNATXJVNEDTM-NMTCXDENSA-N -1 0 329.312 2.089 20 5 EEBDRM C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1nccc(N)n1 ZINC001604362362 1350923863 /nfs/dbraw/zinc/92/38/63/1350923863.db2.gz KXOQNHCSCIOLDE-LVCFMKKZSA-N -1 0 329.316 2.238 20 5 EEBDRM C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604620118 1350971512 /nfs/dbraw/zinc/97/15/12/1350971512.db2.gz JXJFWOJQTRMOQK-PSVSLLHZSA-N -1 0 348.355 2.016 20 5 EEBDRM C/C=C/C[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001604850584 1351018794 /nfs/dbraw/zinc/01/87/94/1351018794.db2.gz FSQVAPCNRWYZJW-UFFNRZRYSA-N -1 0 337.332 2.050 20 5 EEBDRM CCC[C@@H](CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OCC ZINC001605213722 1351105396 /nfs/dbraw/zinc/10/53/96/1351105396.db2.gz DIRAJVNWOUKKDL-JTQLQIEISA-N -1 0 339.348 2.388 20 5 EEBDRM CCOC[C@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC001605625780 1351204252 /nfs/dbraw/zinc/20/42/52/1351204252.db2.gz JWVNAKGWJPRJOT-SECBINFHSA-N -1 0 344.751 2.188 20 5 EEBDRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001606783816 1351356012 /nfs/dbraw/zinc/35/60/12/1351356012.db2.gz CFPSPFMTBNLTIB-CQSZACIVSA-N -1 0 344.751 2.166 20 5 EEBDRM COc1cc(C(=O)Nc2cccc(CC(=O)[O-])n2)cc([N+](=O)[O-])c1C ZINC001607086748 1351412560 /nfs/dbraw/zinc/41/25/60/1351412560.db2.gz AZNAHROUBQQQQL-UHFFFAOYSA-N -1 0 345.311 2.186 20 5 EEBDRM COc1cc(CNC(C)(C)c2cc(C(=O)[O-])on2)ccc1[N+](=O)[O-] ZINC001607164101 1351441135 /nfs/dbraw/zinc/44/11/35/1351441135.db2.gz ORCPCBLELASORY-UHFFFAOYSA-N -1 0 335.316 2.315 20 5 EEBDRM COc1ccc(NC(=O)c2cccc(CC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001607276068 1351463770 /nfs/dbraw/zinc/46/37/70/1351463770.db2.gz WMAHLUUPPHEOCW-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001607292139 1351466164 /nfs/dbraw/zinc/46/61/64/1351466164.db2.gz WUJJLGVDTNIYHJ-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM Cc1c(NC(=O)C2(CF)CCOCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607539304 1351512711 /nfs/dbraw/zinc/51/27/11/1351512711.db2.gz CQUCPBZRPVMOMU-UHFFFAOYSA-N -1 0 340.307 2.306 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2CC(NCC(F)(F)F)C2)n1 ZINC001607589705 1351520553 /nfs/dbraw/zinc/52/05/53/1351520553.db2.gz YWITYZNBNWORMK-UHFFFAOYSA-N -1 0 348.281 2.091 20 5 EEBDRM Cc1cc(N2CCC[C@@H](n3ccnn3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607670184 1351536733 /nfs/dbraw/zinc/53/67/33/1351536733.db2.gz VIIMJSWKKIZDOJ-GFCCVEGCSA-N -1 0 345.359 2.425 20 5 EEBDRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001607842677 1351569741 /nfs/dbraw/zinc/56/97/41/1351569741.db2.gz NZQYOEGSUKABLT-AWEZNQCLSA-N -1 0 343.339 2.431 20 5 EEBDRM Cc1cnc(CC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC001607905440 1351583105 /nfs/dbraw/zinc/58/31/05/1351583105.db2.gz AIBWTMQCLJVFAA-HNNXBMFYSA-N -1 0 349.368 2.018 20 5 EEBDRM Cn1c(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC001608089633 1351622774 /nfs/dbraw/zinc/62/27/74/1351622774.db2.gz IHHGLAIXLLXKMV-UHFFFAOYSA-N -1 0 345.290 2.326 20 5 EEBDRM Cn1nc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1C(F)(F)F ZINC001608148454 1351635456 /nfs/dbraw/zinc/63/54/56/1351635456.db2.gz MCHKRYPJUNNGLJ-UHFFFAOYSA-N -1 0 345.237 2.052 20 5 EEBDRM O=C([O-])c1cccc(COC(=O)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC001608312728 1351668787 /nfs/dbraw/zinc/66/87/87/1351668787.db2.gz SFWHLDYKIDNPDB-UHFFFAOYSA-N -1 0 346.295 2.200 20 5 EEBDRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001608393683 1351685922 /nfs/dbraw/zinc/68/59/22/1351685922.db2.gz ZUNGHCBVJPZLNI-ONGXEEELSA-N -1 0 342.735 2.000 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)cc1[N+](=O)[O-] ZINC000835748535 1372653448 /nfs/dbraw/zinc/65/34/48/1372653448.db2.gz VZLVPIWSXOBWRA-UHIISALHSA-N -1 0 338.385 2.151 20 5 EEBDRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000194609731 769025753 /nfs/dbraw/zinc/02/57/53/769025753.db2.gz VYGKWQKMRPVFHQ-UHFFFAOYSA-N -1 0 328.390 2.360 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cccc(Cl)n2)ccc1[N+](=O)[O-] ZINC000130775298 773685150 /nfs/dbraw/zinc/68/51/50/773685150.db2.gz YMBMAUGLVDJCSR-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000261643870 779616750 /nfs/dbraw/zinc/61/67/50/779616750.db2.gz ITZHUZNASBMCKG-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000817865401 785031686 /nfs/dbraw/zinc/03/16/86/785031686.db2.gz RINNMNOTMBDLCM-MNOVXSKESA-N -1 0 349.343 2.098 20 5 EEBDRM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000819936474 785731794 /nfs/dbraw/zinc/73/17/94/785731794.db2.gz PILCTXGUKGRLMW-SMDDNHRTSA-N -1 0 340.401 2.367 20 5 EEBDRM C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000819936467 785732099 /nfs/dbraw/zinc/73/20/99/785732099.db2.gz PILCTXGUKGRLMW-BXUZGUMPSA-N -1 0 340.401 2.367 20 5 EEBDRM O=C([O-])C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCOC1 ZINC000823343571 787700149 /nfs/dbraw/zinc/70/01/49/787700149.db2.gz ZRNQKOOZXDNDGT-AWEZNQCLSA-N -1 0 342.735 2.002 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@H](CO)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000844210681 788928875 /nfs/dbraw/zinc/92/88/75/788928875.db2.gz YKMBJCGXVVGUER-MDHMXLOGSA-N -1 0 334.250 2.418 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000844214860 788933520 /nfs/dbraw/zinc/93/35/20/788933520.db2.gz WUJRCLWEJHNQMV-CQSZACIVSA-N -1 0 334.372 2.475 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H](c3nccn3C)C2)n1 ZINC000844215692 788934633 /nfs/dbraw/zinc/93/46/33/788934633.db2.gz SIUWXODYGPDMDG-NSHDSACASA-N -1 0 345.359 2.114 20 5 EEBDRM O=C([O-])C=Cc1ccc(NCc2nnc(C3CC3)[nH]2)c([N+](=O)[O-])c1 ZINC000844216728 788934728 /nfs/dbraw/zinc/93/47/28/788934728.db2.gz VDRAGSXEKKZPPJ-KXFIGUGUSA-N -1 0 329.316 2.300 20 5 EEBDRM N=c1c(N)c(Cl)c(Cl)cn1-c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503465 797784175 /nfs/dbraw/zinc/78/41/75/797784175.db2.gz AZFWKFJYHAVEEP-UHFFFAOYSA-N -1 0 343.126 2.452 20 5 EEBDRM CCOC(=O)c1ncncc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503583 797784312 /nfs/dbraw/zinc/78/43/12/797784312.db2.gz RHTOOPPBDSDHLW-UHFFFAOYSA-N -1 0 332.272 2.003 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc3c(c2)C(=O)NCC3)cc([N+](=O)[O-])c1 ZINC001176681137 798526017 /nfs/dbraw/zinc/52/60/17/798526017.db2.gz WSVFITZUVQIDTF-UHFFFAOYSA-N -1 0 327.296 2.323 20 5 EEBDRM Cc1c(CNC(=O)c2n[n-]c3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000791017722 809034404 /nfs/dbraw/zinc/03/44/04/809034404.db2.gz LLKUPKHTUFLQDK-UHFFFAOYSA-N -1 0 338.323 2.482 20 5 EEBDRM O=C([O-])Cc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC001611519264 971093270 /nfs/dbraw/zinc/09/32/70/971093270.db2.gz GTYVYGUOEKMWKP-UHFFFAOYSA-N -1 0 332.297 2.395 20 5 EEBDRM O=C([O-])c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1 ZINC001602312046 971176632 /nfs/dbraw/zinc/17/66/32/971176632.db2.gz RNWQDLXOLKLJBV-UHFFFAOYSA-N -1 0 326.268 2.329 20 5 EEBDRM O=C([O-])CCCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001595044756 951438060 /nfs/dbraw/zinc/43/80/60/951438060.db2.gz CQGINDWKHXFFFD-UHFFFAOYSA-N -1 0 332.259 2.181 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001589344192 954037867 /nfs/dbraw/zinc/03/78/67/954037867.db2.gz NFYBGPJZCLIISE-WZRBSPASSA-N -1 0 335.360 2.408 20 5 EEBDRM CC[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001589551554 955219159 /nfs/dbraw/zinc/21/91/59/955219159.db2.gz HMVFNMIERCRFAC-RISCZKNCSA-N -1 0 332.360 2.118 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001589185181 956557865 /nfs/dbraw/zinc/55/78/65/956557865.db2.gz YAYAWFGWDSQLSJ-ZDUSSCGKSA-N -1 0 345.714 2.049 20 5 EEBDRM Cc1cc(OCC(=O)Nc2ccc(C(=O)[O-])cn2)ccc1[N+](=O)[O-] ZINC001594327901 958187951 /nfs/dbraw/zinc/18/79/51/958187951.db2.gz CWDZJBRTBROAAA-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001261368444 960726732 /nfs/dbraw/zinc/72/67/32/960726732.db2.gz CLHCWUSFAYWHEM-UHFFFAOYSA-N -1 0 333.344 2.263 20 5 EEBDRM CC(C)[C@@H](C(=O)[O-])C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001588808004 961488305 /nfs/dbraw/zinc/48/83/05/961488305.db2.gz LRKMDVVFCAAFTJ-CQSZACIVSA-N -1 0 333.344 2.092 20 5 EEBDRM CC(C)[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC001588822997 961641300 /nfs/dbraw/zinc/64/13/00/961641300.db2.gz HNBVXRZGZWEFER-CYBMUJFWSA-N -1 0 335.360 2.019 20 5 EEBDRM Cc1ccc(CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001605273691 973062696 /nfs/dbraw/zinc/06/26/96/973062696.db2.gz OMZMTAMILULTFS-CYBMUJFWSA-N -1 0 337.376 2.449 20 5 EEBDRM C[C@@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC001603416558 973116229 /nfs/dbraw/zinc/11/62/29/973116229.db2.gz SUSZQADMKOIPFL-SKDRFNHKSA-N -1 0 342.298 2.256 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001603926183 974417571 /nfs/dbraw/zinc/41/75/71/974417571.db2.gz DGPUQYVVCGGTEP-BONVTDFDSA-N -1 0 336.344 2.173 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC001592282639 977586492 /nfs/dbraw/zinc/58/64/92/977586492.db2.gz MDGRUKMYFAQRPX-INIZCTEOSA-N -1 0 338.335 2.426 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccnc1 ZINC001592303160 977654312 /nfs/dbraw/zinc/65/43/12/977654312.db2.gz HHFHGAXYAOULGL-INIZCTEOSA-N -1 0 347.302 2.249 20 5 EEBDRM C[C@H](CN1CCOCC1)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001592625830 978606656 /nfs/dbraw/zinc/60/66/56/978606656.db2.gz XPVTZPDYDQIUPO-SECBINFHSA-N -1 0 343.767 2.079 20 5 EEBDRM CC[C@@H](C(=O)[O-])C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001594756585 981675671 /nfs/dbraw/zinc/67/56/71/981675671.db2.gz SDFQKBFBSPPUAC-SNVBAGLBSA-N -1 0 334.250 2.341 20 5 EEBDRM CC[C@H](C)C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594953130 982677680 /nfs/dbraw/zinc/67/76/80/982677680.db2.gz PZIVXOXQVJXUAX-JOYOIKCWSA-N -1 0 344.389 2.300 20 5 EEBDRM C[C@H]1Cc2n[nH]cc2CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001594612876 986614530 /nfs/dbraw/zinc/61/45/30/986614530.db2.gz XMHZIHYVGFSQEH-JTQLQIEISA-N -1 0 330.344 2.211 20 5 EEBDRM CC(C)(C)CC[C@@H](CO)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001589766648 988115473 /nfs/dbraw/zinc/11/54/73/988115473.db2.gz MMFVIJQZUOEWKC-LBPRGKRZSA-N -1 0 338.360 2.210 20 5 EEBDRM CSc1ccc(C(=O)OCc2cc(C(=O)[O-])no2)cc1[N+](=O)[O-] ZINC001599810089 988318591 /nfs/dbraw/zinc/31/85/91/988318591.db2.gz FESSLWOZOAQXPA-UHFFFAOYSA-N -1 0 338.297 2.360 20 5 EEBDRM CC(C)(CCC(=O)Nc1cccnc1SCCC(=O)[O-])[N+](=O)[O-] ZINC001590657955 990357663 /nfs/dbraw/zinc/35/76/63/990357663.db2.gz LVBHDBGNVVEFMK-UHFFFAOYSA-N -1 0 341.389 2.422 20 5 EEBDRM CN(C[C@@H]1CC=CCC1)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001598453520 991916361 /nfs/dbraw/zinc/91/63/61/991916361.db2.gz NEHMQDQTLXJWRR-GFCCVEGCSA-N -1 0 347.371 2.202 20 5 EEBDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001591423958 992513937 /nfs/dbraw/zinc/51/39/37/992513937.db2.gz YGYMCIFGPIASBY-ZDUSSCGKSA-N -1 0 342.323 2.070 20 5 EEBDRM COc1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC001599594583 993732820 /nfs/dbraw/zinc/73/28/20/993732820.db2.gz XNOJXLHBCHMRES-UHFFFAOYSA-N -1 0 335.272 2.216 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N(C)[C@@H](C)C2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593168897 994017016 /nfs/dbraw/zinc/01/70/16/994017016.db2.gz UQSUMDPBIHATSO-UWVGGRQHSA-N -1 0 335.360 2.032 20 5 EEBDRM COc1cccc([C@@H](O)CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001599660068 994642920 /nfs/dbraw/zinc/64/29/20/994642920.db2.gz PYDYMVZATXUKQC-HNNXBMFYSA-N -1 0 332.312 2.447 20 5 EEBDRM COC(=O)/C=C\c1ccc(N[C@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001598834052 996466446 /nfs/dbraw/zinc/46/64/46/996466446.db2.gz GOPOCJXODOCXRX-SCXUMTSISA-N -1 0 334.328 2.446 20 5 EEBDRM COC(=O)Cc1cccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001598874017 996751938 /nfs/dbraw/zinc/75/19/38/996751938.db2.gz XHJWGFCXBZMULS-UHFFFAOYSA-N -1 0 331.284 2.147 20 5 EEBDRM COC(=O)c1cc(C)nc(N[C@H](CC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001598927561 997678273 /nfs/dbraw/zinc/67/82/73/997678273.db2.gz OIMCHVRLNUEOMV-SNVBAGLBSA-N -1 0 339.348 2.386 20 5 EEBDRM COc1ccc([C@H](O)CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599535074 997728135 /nfs/dbraw/zinc/72/81/35/997728135.db2.gz ZWNOTUYLVDKAQA-MRXNPFEDSA-N -1 0 346.339 2.376 20 5 EEBDRM C[C@@]1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC=CCC1 ZINC001594061649 997853726 /nfs/dbraw/zinc/85/37/26/997853726.db2.gz KNZBCISAXXISTG-CQSZACIVSA-N -1 0 340.357 2.070 20 5 EEBDRM CO[C@H]1COCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599137345 998065289 /nfs/dbraw/zinc/06/52/89/998065289.db2.gz AWAJSCKUQOJLDU-KCJUWKMLSA-N -1 0 344.751 2.410 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000190823548 529419127 /nfs/dbraw/zinc/41/91/27/529419127.db2.gz KBOIEXYMFYNEFJ-OQPBUACISA-N -1 0 328.752 2.406 20 5 EEBDRM O=c1[n-]c(CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)n[nH]1 ZINC000427386972 241417705 /nfs/dbraw/zinc/41/77/05/241417705.db2.gz MIYLBUDSPFTWCB-UHFFFAOYSA-N -1 0 329.263 2.065 20 5 EEBDRM CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000236706277 242327187 /nfs/dbraw/zinc/32/71/87/242327187.db2.gz RZCFAIQSYCXFNV-UHFFFAOYSA-N -1 0 334.250 2.454 20 5 EEBDRM O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1c([O-])cccc1F ZINC000163172903 255808913 /nfs/dbraw/zinc/80/89/13/255808913.db2.gz BAKGSHABJSFYBE-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000347381674 304267914 /nfs/dbraw/zinc/26/79/14/304267914.db2.gz HXVDJZHTARNUJL-UHFFFAOYSA-N -1 0 343.339 2.064 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000273319446 256286941 /nfs/dbraw/zinc/28/69/41/256286941.db2.gz KHFXSXWJZQZJSX-CYBMUJFWSA-N -1 0 338.360 2.397 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)cn1 ZINC000116602370 152058256 /nfs/dbraw/zinc/05/82/56/152058256.db2.gz UANVESJGMFZTMP-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000262979374 152350344 /nfs/dbraw/zinc/35/03/44/152350344.db2.gz KSRVEWATMBINQW-QGZVFWFLSA-N -1 0 345.355 2.332 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000263137508 152384158 /nfs/dbraw/zinc/38/41/58/152384158.db2.gz DJFIECHRKBPTKM-QWRGUYRKSA-N -1 0 338.385 2.256 20 5 EEBDRM CCOC(=O)c1cc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000263189988 152399310 /nfs/dbraw/zinc/39/93/10/152399310.db2.gz LCTYDBUZGSDLRV-QWRGUYRKSA-N -1 0 336.344 2.319 20 5 EEBDRM CC(C)CN(CC(=O)[O-])C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000262412230 160454146 /nfs/dbraw/zinc/45/41/46/160454146.db2.gz OIMZVYGVYUBQHV-UHFFFAOYSA-N -1 0 333.344 2.119 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnc(-c2ncccn2)s1 ZINC000089541140 159182846 /nfs/dbraw/zinc/18/28/46/159182846.db2.gz AXGPYZXRFMZCCO-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cc(Cl)cnc2N)cccc1[N+](=O)[O-] ZINC000093906693 159240288 /nfs/dbraw/zinc/24/02/88/159240288.db2.gz UIEIQSDIWLBPJN-UHFFFAOYSA-N -1 0 342.764 2.335 20 5 EEBDRM Cc1ccnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000185699278 160045691 /nfs/dbraw/zinc/04/56/91/160045691.db2.gz APFUPDUXEHRUFR-UHFFFAOYSA-N -1 0 345.340 2.042 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000134662743 292435727 /nfs/dbraw/zinc/43/57/27/292435727.db2.gz NOTAXKJPKVDSKU-UHFFFAOYSA-N -1 0 344.295 2.166 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc3ncccc23)c([N+](=O)[O-])n1 ZINC000342427565 161064837 /nfs/dbraw/zinc/06/48/37/161064837.db2.gz CJWMUDHOPDXRNM-UHFFFAOYSA-N -1 0 347.356 2.160 20 5 EEBDRM Cc1cccc(N(CCC(N)=O)Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000429681925 292454904 /nfs/dbraw/zinc/45/49/04/292454904.db2.gz FFIIZSYSMLZJFX-UHFFFAOYSA-N -1 0 329.356 2.491 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000145607398 292464817 /nfs/dbraw/zinc/46/48/17/292464817.db2.gz QPWAEBGIWLYWBI-UHFFFAOYSA-N -1 0 330.325 2.339 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352870589 162322199 /nfs/dbraw/zinc/32/21/99/162322199.db2.gz PDMWJIHFASGGRK-UHFFFAOYSA-N -1 0 328.375 2.149 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c([N+](=O)[O-])c1 ZINC000362664937 164755760 /nfs/dbraw/zinc/75/57/60/164755760.db2.gz NFRDBYIQQDVXHU-UHFFFAOYSA-N -1 0 330.259 2.082 20 5 EEBDRM Cc1noc(C2(C)CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)n1 ZINC000364725206 165248426 /nfs/dbraw/zinc/24/84/26/165248426.db2.gz ZEDHCEHKXUZCRX-UHFFFAOYSA-N -1 0 346.343 2.186 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000263226651 297216996 /nfs/dbraw/zinc/21/69/96/297216996.db2.gz QBCUUULXQPXUKM-HTQZYQBOSA-N -1 0 344.165 2.299 20 5 EEBDRM CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000274984743 269082035 /nfs/dbraw/zinc/08/20/35/269082035.db2.gz DMLISERPCNVTKS-NOZJJQNGSA-N -1 0 344.389 2.023 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000275360264 269110463 /nfs/dbraw/zinc/11/04/63/269110463.db2.gz UVUKIJTUUFXKTH-NSHDSACASA-N -1 0 342.373 2.003 20 5 EEBDRM O=C(Nc1ccn(Cc2ccncc2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181947340 274010064 /nfs/dbraw/zinc/01/00/64/274010064.db2.gz WQARDBXKWSODAQ-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1c1ncccc1[N+](=O)[O-] ZINC000292386414 275420350 /nfs/dbraw/zinc/42/03/50/275420350.db2.gz SYYHYQATKUGBKR-RKDXNWHRSA-N -1 0 332.282 2.026 20 5 EEBDRM CN1CCOc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc21 ZINC000155830309 290121450 /nfs/dbraw/zinc/12/14/50/290121450.db2.gz UQKHYIHKOWEOFU-UHFFFAOYSA-N -1 0 329.312 2.381 20 5 EEBDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C ZINC000130300261 302750262 /nfs/dbraw/zinc/75/02/62/302750262.db2.gz YMADLHXLSHVDSR-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM Cc1nc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cn2n1 ZINC000430356461 314522955 /nfs/dbraw/zinc/52/29/55/314522955.db2.gz NJIIZIGFYDAJSG-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM COc1cc(CCO)ccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436791108 314998712 /nfs/dbraw/zinc/99/87/12/314998712.db2.gz IOVUZEICAPLGKF-UHFFFAOYSA-N -1 0 332.312 2.096 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(CCO)Cc1cccc(F)c1 ZINC000436807349 315000582 /nfs/dbraw/zinc/00/05/82/315000582.db2.gz KSBQZSNPRFIURO-UHFFFAOYSA-N -1 0 334.303 2.074 20 5 EEBDRM C[C@@H]1Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2NC1=O ZINC000436932471 315014375 /nfs/dbraw/zinc/01/43/75/315014375.db2.gz CNERTHNZFNZIRL-QMMMGPOBSA-N -1 0 343.295 2.272 20 5 EEBDRM CCOC(=O)c1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436952759 315015810 /nfs/dbraw/zinc/01/58/10/315015810.db2.gz YCCGOZCYZIRFQI-UHFFFAOYSA-N -1 0 344.323 2.407 20 5 EEBDRM CC(C)(C)CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)[O-] ZINC000449134559 315421414 /nfs/dbraw/zinc/42/14/14/315421414.db2.gz KCMRYAGUZCIBSJ-JTQLQIEISA-N -1 0 341.339 2.325 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)s2)cc1[N+](=O)[O-] ZINC000069901196 442071956 /nfs/dbraw/zinc/07/19/56/442071956.db2.gz HVRPJEDVQMFFHC-UHFFFAOYSA-N -1 0 343.386 2.478 20 5 EEBDRM CC(C)Oc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000516185263 316541805 /nfs/dbraw/zinc/54/18/05/316541805.db2.gz XHLXKEAXZIBDSJ-UHFFFAOYSA-N -1 0 332.316 2.482 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H]([C@@H]3CCOC3)C2)n1 ZINC000519549624 316789501 /nfs/dbraw/zinc/78/95/01/316789501.db2.gz XJFRYEXUEROPEJ-NWDGAFQWSA-N -1 0 335.360 2.249 20 5 EEBDRM O=C(Nc1cnn(-c2ccccn2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000540932664 318085056 /nfs/dbraw/zinc/08/50/56/318085056.db2.gz WYIFMNGAGPXBGK-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-] ZINC000548228081 318366386 /nfs/dbraw/zinc/36/63/86/318366386.db2.gz ANSPPYFVYSTBKZ-NSHDSACASA-N -1 0 344.389 2.215 20 5 EEBDRM O=C(NCC1CCN(CC(F)F)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000552377456 318507988 /nfs/dbraw/zinc/50/79/88/318507988.db2.gz ZVQHZEUSLBZOAD-UHFFFAOYSA-N -1 0 343.330 2.007 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](O)CCc2ccccc2)n1 ZINC000565034782 319141712 /nfs/dbraw/zinc/14/17/12/319141712.db2.gz JVJUPYQRQSSTTI-LBPRGKRZSA-N -1 0 331.328 2.094 20 5 EEBDRM CCc1nnc([C@@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]1 ZINC000566283368 319268710 /nfs/dbraw/zinc/26/87/10/319268710.db2.gz MNZCVYHVKYGGCK-ZCFIWIBFSA-N -1 0 339.739 2.125 20 5 EEBDRM CC1=C(C)CN(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000566316624 319274166 /nfs/dbraw/zinc/27/41/66/319274166.db2.gz HFNWAKIQWAKHHO-UHFFFAOYSA-N -1 0 340.357 2.024 20 5 EEBDRM CC(C)(C)c1nnc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])[nH]1 ZINC000576947425 320219124 /nfs/dbraw/zinc/21/91/24/320219124.db2.gz PTVOGRNJTXOOIG-UHFFFAOYSA-N -1 0 333.348 2.250 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@]2(CO)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000583996759 324774715 /nfs/dbraw/zinc/77/47/15/324774715.db2.gz AVSSDHQASXNHKE-SUMWQHHRSA-N -1 0 343.339 2.266 20 5 EEBDRM Cc1cccc(OCCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000337018383 465149242 /nfs/dbraw/zinc/14/92/42/465149242.db2.gz UAYPUJMJZOZEEQ-UHFFFAOYSA-N -1 0 344.323 2.410 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351437480 465155082 /nfs/dbraw/zinc/15/50/82/465155082.db2.gz BQOBYOITLHCUNA-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])nnn1-c1ccccc1 ZINC000356316801 465309174 /nfs/dbraw/zinc/30/91/74/465309174.db2.gz CPLKXXFTQWDQIJ-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000016126470 462970478 /nfs/dbraw/zinc/97/04/78/462970478.db2.gz QRWJERDJVVMWPU-UHFFFAOYSA-N -1 0 349.368 2.145 20 5 EEBDRM Cc1nn(C)c2ncc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc12 ZINC000164093710 463615732 /nfs/dbraw/zinc/61/57/32/463615732.db2.gz LKNBWQNTWDTVLN-UHFFFAOYSA-N -1 0 327.300 2.143 20 5 EEBDRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000276828362 463771070 /nfs/dbraw/zinc/77/10/70/463771070.db2.gz APDXRULZQJHOOP-NSHDSACASA-N -1 0 344.389 2.085 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCN(c2nccs2)CC1 ZINC000185443622 463824270 /nfs/dbraw/zinc/82/42/70/463824270.db2.gz AYECNTQEQJMDMG-UHFFFAOYSA-N -1 0 348.384 2.109 20 5 EEBDRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000178715504 463949471 /nfs/dbraw/zinc/94/94/71/463949471.db2.gz RMIQFJZHXNMHRO-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000263378455 464094809 /nfs/dbraw/zinc/09/48/09/464094809.db2.gz BFCDGWLUHZTBKD-QMMMGPOBSA-N -1 0 344.726 2.253 20 5 EEBDRM Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])nc2ccccc21 ZINC000179954255 464213605 /nfs/dbraw/zinc/21/36/05/464213605.db2.gz BRNGEYLEUOTTNI-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180784527 464394517 /nfs/dbraw/zinc/39/45/17/464394517.db2.gz FBMYTKXTMGYDPE-ZETCQYMHSA-N -1 0 343.767 2.443 20 5 EEBDRM CCCc1[nH]nc(C(=O)Nc2cc(C(C)=O)ccc2[O-])c1[N+](=O)[O-] ZINC000272116980 464483838 /nfs/dbraw/zinc/48/38/38/464483838.db2.gz POPQKIPKFLMKIU-UHFFFAOYSA-N -1 0 332.316 2.431 20 5 EEBDRM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000245718594 464510140 /nfs/dbraw/zinc/51/01/40/464510140.db2.gz OJVTVAKVEJGVQV-NILFDRSVSA-N -1 0 332.356 2.378 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC000182940352 464761714 /nfs/dbraw/zinc/76/17/14/464761714.db2.gz HOXQJGCHUVIJHR-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM Cc1noc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000286460837 464925939 /nfs/dbraw/zinc/92/59/39/464925939.db2.gz PNLZTEIOKUOULX-GFCCVEGCSA-N -1 0 332.316 2.359 20 5 EEBDRM COC(=O)[C@@]12CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000356343700 465326073 /nfs/dbraw/zinc/32/60/73/465326073.db2.gz BQBFQPRAILRJIV-PXAZEXFGSA-N -1 0 348.355 2.106 20 5 EEBDRM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000298416878 465389161 /nfs/dbraw/zinc/38/91/61/465389161.db2.gz OAGYTJXTRBNMKZ-SNVBAGLBSA-N -1 0 347.293 2.057 20 5 EEBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000356736318 465513159 /nfs/dbraw/zinc/51/31/59/465513159.db2.gz YERDLUULVOHSGX-INIZCTEOSA-N -1 0 330.340 2.496 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1 ZINC000356803383 465549683 /nfs/dbraw/zinc/54/96/83/465549683.db2.gz MDAMAMRJHMOGHX-MEDUHNTESA-N -1 0 330.340 2.022 20 5 EEBDRM C[C@@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000593960557 468445179 /nfs/dbraw/zinc/44/51/79/468445179.db2.gz ACQPODIWYCUPPY-LURJTMIESA-N -1 0 346.137 2.200 20 5 EEBDRM Cn1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000357072372 465744931 /nfs/dbraw/zinc/74/49/31/465744931.db2.gz LSMKYURPRAMTRJ-UHFFFAOYSA-N -1 0 330.222 2.305 20 5 EEBDRM Cn1ccc2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2c1=O ZINC000357163745 465823157 /nfs/dbraw/zinc/82/31/57/465823157.db2.gz SQAJSEFHEJKAML-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM CO[C@@H]1C[C@@H](N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C12CCC2 ZINC000597160658 468464732 /nfs/dbraw/zinc/46/47/32/468464732.db2.gz IGOKFLLWRHIFMW-ZIAGYGMSSA-N -1 0 348.355 2.323 20 5 EEBDRM NC(=O)Nc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000350099104 466384197 /nfs/dbraw/zinc/38/41/97/466384197.db2.gz NQXCPBQJPKJXQM-UHFFFAOYSA-N -1 0 344.283 2.036 20 5 EEBDRM CC(C)N1C[C@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)CC1=O ZINC000341151037 466619344 /nfs/dbraw/zinc/61/93/44/466619344.db2.gz UPUKYVABLBDZHF-SNVBAGLBSA-N -1 0 332.316 2.075 20 5 EEBDRM COc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000324615308 466648569 /nfs/dbraw/zinc/64/85/69/466648569.db2.gz OCILCQFFILGLLY-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000424259808 467015983 /nfs/dbraw/zinc/01/59/83/467015983.db2.gz ZDLOSIYHAAUBSU-LKFCYVNXSA-N -1 0 336.344 2.237 20 5 EEBDRM CC(C)C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C(=O)[O-] ZINC000391643297 467421780 /nfs/dbraw/zinc/42/17/80/467421780.db2.gz AJBBWJQBXNRAOX-SECBINFHSA-N -1 0 334.332 2.402 20 5 EEBDRM O=C([O-])CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000431206523 467501843 /nfs/dbraw/zinc/50/18/43/467501843.db2.gz KXJBTRHTNFJBCK-UHFFFAOYSA-N -1 0 346.289 2.164 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493145510 467849138 /nfs/dbraw/zinc/84/91/38/467849138.db2.gz DKRVGOCURZOEBO-MQDFFIGUSA-N -1 0 336.319 2.460 20 5 EEBDRM COC(=O)NCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000493709108 467967962 /nfs/dbraw/zinc/96/79/62/467967962.db2.gz HQNOPJBRYHQDLG-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM COCC(C)(C)CCCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567052059 468163517 /nfs/dbraw/zinc/16/35/17/468163517.db2.gz LJNIKBZHJOZUOT-UHFFFAOYSA-N -1 0 325.365 2.861 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccc(OCC(=O)[O-])cc1 ZINC000569725605 468535400 /nfs/dbraw/zinc/53/54/00/468535400.db2.gz CMEUZVMEHOYDGY-UHFFFAOYSA-N -1 0 348.359 2.238 20 5 EEBDRM O=C([O-])c1cnc(NCCOCC(F)(F)C(F)F)c([N+](=O)[O-])c1 ZINC000569930947 468564908 /nfs/dbraw/zinc/56/49/08/468564908.db2.gz PHQPRYCUOVVSKD-UHFFFAOYSA-N -1 0 341.217 2.017 20 5 EEBDRM C[C@H]1CCCCN1C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000594570761 468624223 /nfs/dbraw/zinc/62/42/23/468624223.db2.gz WCLXICRRQCBFMX-FZMZJTMJSA-N -1 0 335.360 2.175 20 5 EEBDRM CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000570393155 468632006 /nfs/dbraw/zinc/63/20/06/468632006.db2.gz CEPVDBPCOZMNGV-JTQLQIEISA-N -1 0 344.389 2.396 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000600874199 468672587 /nfs/dbraw/zinc/67/25/87/468672587.db2.gz JQBJARQIYVEBOE-JHJVBQTASA-N -1 0 348.355 2.075 20 5 EEBDRM COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000600883063 468675422 /nfs/dbraw/zinc/67/54/22/468675422.db2.gz WEYZIFADGGPKPN-AVGNSLFASA-N -1 0 348.355 2.319 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](C)Oc2ccc(F)cc2)n1 ZINC000584055794 468793978 /nfs/dbraw/zinc/79/39/78/468793978.db2.gz RKLOAYFLKLWZQW-SNVBAGLBSA-N -1 0 349.318 3.015 20 5 EEBDRM CO[C@@H]1C[C@@H](C(=O)[O-])N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000584236853 468826751 /nfs/dbraw/zinc/82/67/51/468826751.db2.gz AUGYMJXLRVOOBO-PWSUYJOCSA-N -1 0 348.277 2.288 20 5 EEBDRM COc1ccc2c(c1)OCCN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000592979355 468833362 /nfs/dbraw/zinc/83/33/62/468833362.db2.gz ZBAHVGUTTCIQFO-UHFFFAOYSA-N -1 0 345.311 2.096 20 5 EEBDRM CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598478479 468879704 /nfs/dbraw/zinc/87/97/04/468879704.db2.gz GLCXRYJTBSTWNM-BBRMVZONSA-N -1 0 336.344 2.152 20 5 EEBDRM COc1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC000595990471 469108554 /nfs/dbraw/zinc/10/85/54/469108554.db2.gz VHFMRXAHXBCGSW-AWEZNQCLSA-N -1 0 336.344 2.111 20 5 EEBDRM O=c1[nH]ccc(N2CCC(c3nnc4n3CCCC4)CC2)c1[N+](=O)[O-] ZINC000596195873 469196982 /nfs/dbraw/zinc/19/69/82/469196982.db2.gz PHWKETFIZIOVBY-UHFFFAOYSA-N -1 0 344.375 2.007 20 5 EEBDRM O=C(N1CCCCC1)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000611253456 469209383 /nfs/dbraw/zinc/20/93/83/469209383.db2.gz IETXXGREQWYSRU-UHFFFAOYSA-N -1 0 348.403 2.024 20 5 EEBDRM CC[C@H](CSC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619495162 469624776 /nfs/dbraw/zinc/62/47/76/469624776.db2.gz WRNVYMZEOJBLEE-SECBINFHSA-N -1 0 334.419 2.023 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC000619507126 469628412 /nfs/dbraw/zinc/62/84/12/469628412.db2.gz GGKZBYXWIKSIPO-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236991440 535970949 /nfs/dbraw/zinc/97/09/49/535970949.db2.gz IMIJHFUZINBUQV-NHYWBVRUSA-N -1 0 349.387 2.424 20 5 EEBDRM Cc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(N)c([N+](=O)[O-])c1 ZINC000738319482 578009275 /nfs/dbraw/zinc/00/92/75/578009275.db2.gz MIFDNPGEHQJMII-UHFFFAOYSA-N -1 0 343.339 2.456 20 5 EEBDRM Cc1nn(CCC(=O)Nc2ccc(C(=O)[O-])s2)c(C)c1[N+](=O)[O-] ZINC000738921166 576128718 /nfs/dbraw/zinc/12/87/18/576128718.db2.gz BALNOJKFWKIWHD-UHFFFAOYSA-N -1 0 338.345 2.197 20 5 EEBDRM Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(C(=O)[O-])[nH]1 ZINC000738430397 576425560 /nfs/dbraw/zinc/42/55/60/576425560.db2.gz SGFBSJQAZHBSEP-UHFFFAOYSA-N -1 0 337.263 2.086 20 5 EEBDRM CC(C)CCS(=O)(=O)[N-]C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000732512597 577182982 /nfs/dbraw/zinc/18/29/82/577182982.db2.gz SWONYEHYYMFDNH-UHFFFAOYSA-N -1 0 346.430 2.179 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000733060762 577201350 /nfs/dbraw/zinc/20/13/50/577201350.db2.gz AVXXULLGEVRDJZ-UHFFFAOYSA-N -1 0 344.389 2.099 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000733062203 577201462 /nfs/dbraw/zinc/20/14/62/577201462.db2.gz UTCQBURPTRMRKX-UHFFFAOYSA-N -1 0 344.389 2.099 20 5 EEBDRM CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000774287087 577393587 /nfs/dbraw/zinc/39/35/87/577393587.db2.gz DJRGDECOABCVPA-VIFPVBQESA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000776510972 577461148 /nfs/dbraw/zinc/46/11/48/577461148.db2.gz FOIBCODUJRBCCQ-RKDXNWHRSA-N -1 0 346.792 2.489 20 5 EEBDRM CON(C)C(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000770415193 577595766 /nfs/dbraw/zinc/59/57/66/577595766.db2.gz FVPNQAZPSSJBLG-UHFFFAOYSA-N -1 0 345.311 2.186 20 5 EEBDRM O=C([N-]N1CCc2ccccc2C1=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000762654488 577705375 /nfs/dbraw/zinc/70/53/75/577705375.db2.gz HATFCEBYWHOQFI-UHFFFAOYSA-N -1 0 329.287 2.077 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755355255 577824023 /nfs/dbraw/zinc/82/40/23/577824023.db2.gz SIDPKSJDXKKFRA-ZDUSSCGKSA-N -1 0 328.328 2.206 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])s1 ZINC000755908991 577833980 /nfs/dbraw/zinc/83/39/80/577833980.db2.gz AVRHDEVNHBFVLH-UHFFFAOYSA-N -1 0 344.345 2.223 20 5 EEBDRM CC1=C(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000747250156 577941775 /nfs/dbraw/zinc/94/17/75/577941775.db2.gz DXTQKTYCPMMAQS-UHFFFAOYSA-N -1 0 328.321 2.039 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H]1CC12CCCC2 ZINC000747476955 577945165 /nfs/dbraw/zinc/94/51/65/577945165.db2.gz AVXWSDLHRKLJKX-VIFPVBQESA-N -1 0 330.387 2.042 20 5 EEBDRM O=C([O-])c1cc(OCc2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000740088676 578080330 /nfs/dbraw/zinc/08/03/30/578080330.db2.gz SZLJHIKFBBAILI-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000736188782 578185239 /nfs/dbraw/zinc/18/52/39/578185239.db2.gz JDVYSXMSCNHFQL-UHFFFAOYSA-N -1 0 332.268 2.053 20 5 EEBDRM C[C@@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])Cn1cccn1 ZINC000736606526 578214529 /nfs/dbraw/zinc/21/45/29/578214529.db2.gz GTJGIZCUMJDRQM-VIFPVBQESA-N -1 0 349.303 2.146 20 5 EEBDRM CN(CCCC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000737431401 578257036 /nfs/dbraw/zinc/25/70/36/578257036.db2.gz UHGNRQNFAFHFHW-UHFFFAOYSA-N -1 0 347.331 2.109 20 5 EEBDRM COc1ccc([C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737961612 578274655 /nfs/dbraw/zinc/27/46/55/578274655.db2.gz VIHDGGMBQHXOLM-INIZCTEOSA-N -1 0 344.323 2.088 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000821510556 597349314 /nfs/dbraw/zinc/34/93/14/597349314.db2.gz IVDGZVWKVJDNOO-ZETCQYMHSA-N -1 0 332.234 2.160 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000238104254 597501089 /nfs/dbraw/zinc/50/10/89/597501089.db2.gz LDZCQKBSWFJLTK-JTQLQIEISA-N -1 0 347.352 2.265 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 ZINC000833125957 600977106 /nfs/dbraw/zinc/97/71/06/600977106.db2.gz ISBIMLBJRHHGQH-LBPRGKRZSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000833190830 601182745 /nfs/dbraw/zinc/18/27/45/601182745.db2.gz ZVYCEOMMDIYSMN-RYUDHWBXSA-N -1 0 337.328 2.408 20 5 EEBDRM NC(COc1cccc(C(=O)[O-])c1)=NOCc1ccccc1[N+](=O)[O-] ZINC000833089843 601352828 /nfs/dbraw/zinc/35/28/28/601352828.db2.gz ZQFKDSMEMXCHOK-UHFFFAOYSA-N -1 0 345.311 2.370 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704631 601380614 /nfs/dbraw/zinc/38/06/14/601380614.db2.gz ZUNXYHCUWXKCTH-VWYCJHECSA-N -1 0 335.360 2.032 20 5 EEBDRM O=C([O-])C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000091294337 601381203 /nfs/dbraw/zinc/38/12/03/601381203.db2.gz ULLLXEFYXOSXKW-VIFPVBQESA-N -1 0 345.149 2.037 20 5 EEBDRM Cc1cc(NCCc2nnc3ccccn32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897347 601545511 /nfs/dbraw/zinc/54/55/11/601545511.db2.gz PLBLERNSZHDVGY-UHFFFAOYSA-N -1 0 341.327 2.299 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccc1F ZINC000833125251 601820732 /nfs/dbraw/zinc/82/07/32/601820732.db2.gz TZMZUSZLEVTFQC-ZDUSSCGKSA-N -1 0 336.250 2.429 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000833090555 602014666 /nfs/dbraw/zinc/01/46/66/602014666.db2.gz OFRPISOEPVWKKS-UHFFFAOYSA-N -1 0 340.288 2.433 20 5 EEBDRM Cc1cc(NCC(=O)NCc2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896870 602313885 /nfs/dbraw/zinc/31/38/85/602313885.db2.gz NRFOTCVBVKRULD-UHFFFAOYSA-N -1 0 343.339 2.330 20 5 EEBDRM CC(C)[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000833474459 605037065 /nfs/dbraw/zinc/03/70/65/605037065.db2.gz YUQUBMRRHXEPEI-CYBMUJFWSA-N -1 0 333.300 2.047 20 5 EEBDRM C/C(=C/C(=O)N[C@@]1(C(=O)[O-])CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000833383598 605366574 /nfs/dbraw/zinc/36/65/74/605366574.db2.gz VBNHDNWNXPCEFM-WWRUEGTHSA-N -1 0 336.369 2.075 20 5 EEBDRM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000820426386 606886742 /nfs/dbraw/zinc/88/67/42/606886742.db2.gz JIFSXVYJPMOEKL-JTQLQIEISA-N -1 0 340.343 2.331 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000826293096 607996928 /nfs/dbraw/zinc/99/69/28/607996928.db2.gz AYJHMZRRDNYMFL-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[C@@H]1C1CC1 ZINC000176115803 676871198 /nfs/dbraw/zinc/87/11/98/676871198.db2.gz UZJFLCKPMFBIDH-BDAKNGLRSA-N -1 0 344.776 2.099 20 5 EEBDRM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119964672 678264257 /nfs/dbraw/zinc/26/42/57/678264257.db2.gz XJWMMJVWQOLBCS-UHFFFAOYSA-N -1 0 334.781 2.489 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(N(C)C[C@@H](C)C(=O)[O-])cc1Cl ZINC000841510884 1187083360 /nfs/dbraw/zinc/08/33/60/1187083360.db2.gz NYHYODRQFHNAPV-SSDOTTSWSA-N -1 0 330.724 2.192 20 5 EEBDRM C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)cc1 ZINC000089910708 1212075687 /nfs/dbraw/zinc/07/56/87/1212075687.db2.gz FJXZPWUJROVVEO-MRXNPFEDSA-N -1 0 334.303 2.077 20 5 EEBDRM Cc1ocnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795899842 1215154366 /nfs/dbraw/zinc/15/43/66/1215154366.db2.gz BHWZRYZWBOMKRH-UHFFFAOYSA-N -1 0 349.727 2.162 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000802864304 1238473109 /nfs/dbraw/zinc/47/31/09/1238473109.db2.gz BPCAZFJVOVTVJG-UHFFFAOYSA-N -1 0 340.382 2.012 20 5 EEBDRM O=C(OCCF)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000803525866 1240642279 /nfs/dbraw/zinc/64/22/79/1240642279.db2.gz WQFHFKAVXDJDAR-UHFFFAOYSA-N -1 0 329.671 2.266 20 5 EEBDRM COC(=O)c1cnc(Nc2ccc(F)cc2[N+](=O)[O-])c(C(=O)OC)c1 ZINC001210955441 1295597608 /nfs/dbraw/zinc/59/76/08/1295597608.db2.gz HWOSKEIKJWIDAX-UHFFFAOYSA-N -1 0 349.274 2.446 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2ccc(C)nc2)c1[N+](=O)[O-] ZINC001226016616 1301233371 /nfs/dbraw/zinc/23/33/71/1301233371.db2.gz AHQFAUTXNBNKII-VIFPVBQESA-N -1 0 348.315 2.111 20 5 EEBDRM CC(C)C1(C(C)C)OC[C@@H](CCOc2nc(=O)[n-]cc2[N+](=O)[O-])O1 ZINC001226335413 1301363209 /nfs/dbraw/zinc/36/32/09/1301363209.db2.gz GTMYPKOMDCSLTR-LLVKDONJSA-N -1 0 341.364 2.283 20 5 EEBDRM COC[C@@H](C)OC[C@@H](C)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095384 1301685910 /nfs/dbraw/zinc/68/59/10/1301685910.db2.gz HMJGJPFOMCKNEC-NXEZZACHSA-N -1 0 337.332 2.062 20 5 EEBDRM CC1=C[C@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])CC(=O)O1 ZINC001228862110 1302487901 /nfs/dbraw/zinc/48/79/01/1302487901.db2.gz KPPBWEHZSGXXIF-LURJTMIESA-N -1 0 334.206 2.312 20 5 EEBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@H]2CCOC[C@H]2F)c1[N+](=O)[O-] ZINC001228860456 1302489384 /nfs/dbraw/zinc/48/93/84/1302489384.db2.gz UVEASFGDTOBGFT-VDTYLAMSSA-N -1 0 326.202 2.220 20 5 EEBDRM CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000781803881 1303866738 /nfs/dbraw/zinc/86/67/38/1303866738.db2.gz UAYQUJRQYKKZDO-QMMMGPOBSA-N -1 0 332.403 2.288 20 5 EEBDRM COCc1nsc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1 ZINC000784481542 1304487368 /nfs/dbraw/zinc/48/73/68/1304487368.db2.gz ZBKROFVARAFSIN-UHFFFAOYSA-N -1 0 326.309 2.293 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796655435 1304566123 /nfs/dbraw/zinc/56/61/23/1304566123.db2.gz RWSRAMHRHRZVKS-SECBINFHSA-N -1 0 348.327 2.144 20 5 EEBDRM O=C1CCN1c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000799544067 1305295710 /nfs/dbraw/zinc/29/57/10/1305295710.db2.gz BSOOYTFVPTYRBZ-UHFFFAOYSA-N -1 0 347.352 2.132 20 5 EEBDRM CC(C)[C@H](CO)O[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000836897658 1315040279 /nfs/dbraw/zinc/04/02/79/1315040279.db2.gz HYGYCNDFIHLJHD-ZANVPECISA-N -1 0 346.767 2.080 20 5 EEBDRM CC(C)c1ccc(C(=O)NCCc2n[n-]c(=S)o2)cc1[N+](=O)[O-] ZINC000841424095 1315551108 /nfs/dbraw/zinc/55/11/08/1315551108.db2.gz QWPGHKLSVXYNLG-UHFFFAOYSA-N -1 0 336.373 2.362 20 5 EEBDRM CNC(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])cc1[O-])n2C ZINC001251009614 1317397701 /nfs/dbraw/zinc/39/77/01/1317397701.db2.gz PTNHJJGFUAXWEA-UHFFFAOYSA-N -1 0 326.312 2.214 20 5 EEBDRM CNC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3[O-])n(C)c2c1 ZINC001251044989 1317407655 /nfs/dbraw/zinc/40/76/55/1317407655.db2.gz DBOSGUPRCVLYLY-UHFFFAOYSA-N -1 0 326.312 2.214 20 5 EEBDRM O=C([O-])c1n[nH]cc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001608496101 1351704462 /nfs/dbraw/zinc/70/44/62/1351704462.db2.gz JTVNOSAZMNQPMT-UHFFFAOYSA-N -1 0 328.643 2.061 20 5 EEBDRM CCCCCn1cc(-c2nnn[n-]2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001604179996 1350885888 /nfs/dbraw/zinc/88/58/88/1350885888.db2.gz XMXFOEJMCQINCI-UHFFFAOYSA-N -1 0 328.332 2.280 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N2CCc3c2cccc3C(=O)[O-])n1 ZINC001607709602 1351543736 /nfs/dbraw/zinc/54/37/36/1351543736.db2.gz KZRXIJOVYFDBEJ-UHFFFAOYSA-N -1 0 327.296 2.199 20 5 EEBDRM Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001608073848 1351619391 /nfs/dbraw/zinc/61/93/91/1351619391.db2.gz AVKBFNTVZHVDHW-MRXNPFEDSA-N -1 0 345.359 2.081 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])nc1Br ZINC001608624259 1351728707 /nfs/dbraw/zinc/72/87/07/1351728707.db2.gz FEKSPUXYQPVBLX-HTQZYQBOSA-N -1 0 332.154 2.445 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc21 ZINC001608643189 1351731828 /nfs/dbraw/zinc/73/18/28/1351731828.db2.gz YNDRVBSNQXEJKY-ZDUSSCGKSA-N -1 0 344.298 2.491 20 5 EEBDRM CC(C)Cc1ncc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cn1 ZINC001328714596 1334505405 /nfs/dbraw/zinc/50/54/05/1334505405.db2.gz UYFLLVSGFVZBKJ-UHFFFAOYSA-N -1 0 342.402 2.446 20 5 EEBDRM C[C@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)c1cccc([N+](=O)[O-])c1 ZINC001609631754 1352046342 /nfs/dbraw/zinc/04/63/42/1352046342.db2.gz NSWARBTZRSNYAR-VIFPVBQESA-N -1 0 349.368 2.445 20 5 EEBDRM CC1(C)CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC001609815809 1352092274 /nfs/dbraw/zinc/09/22/74/1352092274.db2.gz MEVWVBDWFYDZTQ-SECBINFHSA-N -1 0 342.373 2.150 20 5 EEBDRM CC1=C(C(=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1CC1CC1 ZINC001609827507 1352095475 /nfs/dbraw/zinc/09/54/75/1352095475.db2.gz VMFRTCODNHXDKL-CQSZACIVSA-N -1 0 331.328 2.430 20 5 EEBDRM CC[C@@H](OC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O)C(=O)[O-] ZINC001609936309 1352124135 /nfs/dbraw/zinc/12/41/35/1352124135.db2.gz IXMBFXGMMSOAAE-LLVKDONJSA-N -1 0 344.707 2.227 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001610045470 1352148770 /nfs/dbraw/zinc/14/87/70/1352148770.db2.gz ZOBQJEJEXDRWCW-MWLCHTKSSA-N -1 0 337.332 2.178 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001610119961 1352166659 /nfs/dbraw/zinc/16/66/59/1352166659.db2.gz VUPWMTPZIPQLGM-UHFFFAOYSA-N -1 0 344.327 2.394 20 5 EEBDRM C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847892878 1338366834 /nfs/dbraw/zinc/36/68/34/1338366834.db2.gz JGOLISLMEOBUSK-SNVBAGLBSA-N -1 0 341.389 2.011 20 5 EEBDRM COCCCCNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001610256103 1352195230 /nfs/dbraw/zinc/19/52/30/1352195230.db2.gz IXBNCBICVPQKCN-UHFFFAOYSA-N -1 0 325.321 2.150 20 5 EEBDRM Cc1ccccc1OC[C@@H](O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001610532391 1352239843 /nfs/dbraw/zinc/23/98/43/1352239843.db2.gz RSOFUXZFCFCTDT-LBPRGKRZSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001610564672 1352245784 /nfs/dbraw/zinc/24/57/84/1352245784.db2.gz VBQLHPXKQCWALR-UHFFFAOYSA-N -1 0 328.284 2.162 20 5 EEBDRM O=C([O-])[C@@H](CF)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001610717134 1352263929 /nfs/dbraw/zinc/26/39/29/1352263929.db2.gz QHYOQUYZITXUNR-LLVKDONJSA-N -1 0 325.321 2.231 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC001610784575 1352273993 /nfs/dbraw/zinc/27/39/93/1352273993.db2.gz VZYIXYZYRIVIIE-UHFFFAOYSA-N -1 0 329.312 2.021 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])s1 ZINC001610840102 1352283208 /nfs/dbraw/zinc/28/32/08/1352283208.db2.gz JTYDHOXBRAWSEN-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM C[C@@H](Cc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592872601 1349721095 /nfs/dbraw/zinc/72/10/95/1349721095.db2.gz KGIDPMGOVNPFIX-VIFPVBQESA-N -1 0 344.327 2.088 20 5 EEBDRM Cc1c(NC(=O)NC[C@H]2CCSC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600043692 1349960953 /nfs/dbraw/zinc/96/09/53/1349960953.db2.gz WVDGWYPWTQGURD-SECBINFHSA-N -1 0 339.373 2.476 20 5 EEBDRM Cc1c(NC(=O)c2ncn(C(C)(C)C)n2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600048822 1349962395 /nfs/dbraw/zinc/96/23/95/1349962395.db2.gz FNGHKKADRNOAKZ-UHFFFAOYSA-N -1 0 347.331 2.200 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2cccc3c2OCO3)n1 ZINC001600105231 1349972085 /nfs/dbraw/zinc/97/20/85/1349972085.db2.gz FQNDGDOFEPJOPK-UHFFFAOYSA-N -1 0 331.284 2.337 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](c3nccs3)C2)n1 ZINC001600104972 1349972289 /nfs/dbraw/zinc/97/22/89/1349972289.db2.gz GLORDGSFILXQLL-VIFPVBQESA-N -1 0 334.357 2.447 20 5 EEBDRM Cc1cc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC001600201103 1349991420 /nfs/dbraw/zinc/99/14/20/1349991420.db2.gz UTLHPWXUJYCMRS-UHFFFAOYSA-N -1 0 347.327 2.236 20 5 EEBDRM Cc1cc(F)cc(C(=O)NCc2ccc(C(=O)[O-])cn2)c1[N+](=O)[O-] ZINC001600230695 1349997293 /nfs/dbraw/zinc/99/72/93/1349997293.db2.gz XSFRHAQBSFTQNH-UHFFFAOYSA-N -1 0 333.275 2.066 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC001600358257 1350028984 /nfs/dbraw/zinc/02/89/84/1350028984.db2.gz VNEJIMZZKVEYMT-UHFFFAOYSA-N -1 0 344.327 2.314 20 5 EEBDRM Cc1ccc(CNC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC001600416499 1350046267 /nfs/dbraw/zinc/04/62/67/1350046267.db2.gz AWPCIXMOHJJMGJ-ZDUSSCGKSA-N -1 0 335.360 2.203 20 5 EEBDRM Cc1ccc(NCCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])nc1 ZINC001600459154 1350057575 /nfs/dbraw/zinc/05/75/75/1350057575.db2.gz DIXAVNQWHCPOQZ-UHFFFAOYSA-N -1 0 330.344 2.449 20 5 EEBDRM Cc1nn(C)c(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C(=O)[O-] ZINC001600486871 1350063262 /nfs/dbraw/zinc/06/32/62/1350063262.db2.gz JIEVFPSUIHHSHY-UHFFFAOYSA-N -1 0 332.316 2.204 20 5 EEBDRM Cc1cccn2cc(CNc3nc(C(=O)[O-])ccc3[N+](=O)[O-])nc12 ZINC001600590341 1350092021 /nfs/dbraw/zinc/09/20/21/1350092021.db2.gz QEEPCNOWYSKDDK-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM Cc1cnc(F)cc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001600622425 1350100037 /nfs/dbraw/zinc/10/00/37/1350100037.db2.gz INTGFYNBJMIOAQ-MRXNPFEDSA-N -1 0 347.302 2.167 20 5 EEBDRM Cc1cnc(F)cc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001600622424 1350100285 /nfs/dbraw/zinc/10/02/85/1350100285.db2.gz INTGFYNBJMIOAQ-INIZCTEOSA-N -1 0 347.302 2.167 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001600720203 1350120757 /nfs/dbraw/zinc/12/07/57/1350120757.db2.gz JGBHVFBUDHGRNB-UHFFFAOYSA-N -1 0 339.691 2.057 20 5 EEBDRM Cc1ncc(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(C)n1 ZINC001600734542 1350124411 /nfs/dbraw/zinc/12/44/11/1350124411.db2.gz BXWXFJUIBPJUDG-UHFFFAOYSA-N -1 0 331.284 2.057 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001600748648 1350127317 /nfs/dbraw/zinc/12/73/17/1350127317.db2.gz YRBZXEMTNROVQC-ZDUSSCGKSA-N -1 0 343.339 2.114 20 5 EEBDRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001600868901 1350156398 /nfs/dbraw/zinc/15/63/98/1350156398.db2.gz FIUCYFFZSJAXEL-LBPRGKRZSA-N -1 0 336.325 2.335 20 5 EEBDRM Cn1cc(C(=O)[O-])c(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001600934419 1350171973 /nfs/dbraw/zinc/17/19/73/1350171973.db2.gz DNDUMXHVPNEHTA-UHFFFAOYSA-N -1 0 347.331 2.083 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])on1 ZINC001601353995 1350264395 /nfs/dbraw/zinc/26/43/95/1350264395.db2.gz ILAWVDNHBVRRHI-UHFFFAOYSA-N -1 0 343.654 2.255 20 5 EEBDRM O=C([O-])[C@@H](C[C@H]1CCCOC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001601642826 1350327121 /nfs/dbraw/zinc/32/71/21/1350327121.db2.gz QLYUDAAXXRBUCN-QMTHXVAHSA-N -1 0 346.343 2.220 20 5 EEBDRM O=C([O-])C12CC(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)(C1)C2 ZINC001601729654 1350349971 /nfs/dbraw/zinc/34/99/71/1350349971.db2.gz QGSYZEMBHZIBJH-UHFFFAOYSA-N -1 0 342.254 2.390 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]2CCC[C@H]21 ZINC001601827317 1350374534 /nfs/dbraw/zinc/37/45/34/1350374534.db2.gz HJGDUBAMNXZLBJ-MISXGVKJSA-N -1 0 336.319 2.449 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001601855668 1350381097 /nfs/dbraw/zinc/38/10/97/1350381097.db2.gz FBYAQWZNWBJEPP-MRVPVSSYSA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1Cc1ccccc1[N+](=O)[O-] ZINC001601864651 1350385016 /nfs/dbraw/zinc/38/50/16/1350385016.db2.gz SVYUSPDDXPGRIG-MRXNPFEDSA-N -1 0 328.324 2.312 20 5 EEBDRM O=C([O-])/C=C\c1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001601875683 1350387439 /nfs/dbraw/zinc/38/74/39/1350387439.db2.gz VXRCVDMEIMRWBG-XQRVVYSFSA-N -1 0 328.280 2.442 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=S)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC001602222188 1350469498 /nfs/dbraw/zinc/46/94/98/1350469498.db2.gz DJAJRNKSZZRFFR-BONVTDFDSA-N -1 0 335.385 2.478 20 5 EEBDRM O=C([O-])c1cc(C2CN(c3nc4ccc([N+](=O)[O-])cc4s3)C2)[nH]n1 ZINC001602254618 1350478768 /nfs/dbraw/zinc/47/87/68/1350478768.db2.gz FOLWWODOUWOWRH-UHFFFAOYSA-N -1 0 345.340 2.230 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2cc(C(F)(F)F)co2)c1 ZINC001602299573 1350488351 /nfs/dbraw/zinc/48/83/51/1350488351.db2.gz PBMMDYHFBNQTOT-UHFFFAOYSA-N -1 0 332.190 2.115 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C(=O)CC3(CCCC3)C2=O)c1 ZINC001602405485 1350511915 /nfs/dbraw/zinc/51/19/15/1350511915.db2.gz VCOSFGWGANTAFA-UHFFFAOYSA-N -1 0 332.312 2.112 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC[C@H]2CC3(CO2)CCOCC3)c1 ZINC001602408955 1350512867 /nfs/dbraw/zinc/51/28/67/1350512867.db2.gz YKLISSZKALCIIA-GFCCVEGCSA-N -1 0 337.328 2.258 20 5 EEBDRM O=C([O-])c1ccc2c(c1)ncn(Cc1ccc([N+](=O)[O-])cc1)c2=O ZINC001602410831 1350513410 /nfs/dbraw/zinc/51/34/10/1350513410.db2.gz VUGLIWUYXBPHSB-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM O=C([O-])c1cccc2c1OCCN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC001602461778 1350524800 /nfs/dbraw/zinc/52/48/00/1350524800.db2.gz MTKJGKLENCUKIE-UHFFFAOYSA-N -1 0 342.307 2.328 20 5 EEBDRM C[C@](NCc1nc(C(F)F)no1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604348987 1350921421 /nfs/dbraw/zinc/92/14/21/1350921421.db2.gz KMVWWDHFYHXSIM-CYBMUJFWSA-N -1 0 342.258 2.005 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(CC(=O)[O-])CC1 ZINC001604431237 1350936615 /nfs/dbraw/zinc/93/66/15/1350936615.db2.gz NUBIAUIIZSYXMN-QMMMGPOBSA-N -1 0 342.735 2.139 20 5 EEBDRM C[C@@]12COC[C@H]1CN(c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])C2 ZINC001604606929 1350969016 /nfs/dbraw/zinc/96/90/16/1350969016.db2.gz VIZKJZQCCGSJEN-XLKFXECMSA-N -1 0 326.736 2.419 20 5 EEBDRM C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H](C)C1O ZINC001604808455 1351011701 /nfs/dbraw/zinc/01/17/01/1351011701.db2.gz WVRXXPOJYJCUPC-HTQZYQBOSA-N -1 0 328.752 2.400 20 5 EEBDRM CCOC1CC(O)(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001605610272 1351200629 /nfs/dbraw/zinc/20/06/29/1351200629.db2.gz KHGIUHZGFAIQMM-UHFFFAOYSA-N -1 0 344.751 2.288 20 5 EEBDRM CCOc1cc(CN2CCC[C@@]2(COC)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605671453 1351214650 /nfs/dbraw/zinc/21/46/50/1351214650.db2.gz QUQUPFLWCOQBHT-MRXNPFEDSA-N -1 0 338.360 2.059 20 5 EEBDRM CO[C@H]1CCC[C@H]1CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001606743794 1351350306 /nfs/dbraw/zinc/35/03/06/1351350306.db2.gz ZNINQDJEFHZFJF-UFBFGSQYSA-N -1 0 339.304 2.428 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1C(=O)[O-] ZINC001607258152 1351459959 /nfs/dbraw/zinc/45/99/59/1351459959.db2.gz JULGJXRLOJVRTG-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM COc1ccccc1C(=O)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607334500 1351477013 /nfs/dbraw/zinc/47/70/13/1351477013.db2.gz HIVMIWLVQOJHNR-UHFFFAOYSA-N -1 0 344.279 2.123 20 5 EEBDRM Cc1cc(C(=O)NCc2ccc(CC(=O)[O-])cc2)c(N)c([N+](=O)[O-])c1 ZINC001607579593 1351519104 /nfs/dbraw/zinc/51/91/04/1351519104.db2.gz TVIDFHUQJCKFAY-UHFFFAOYSA-N -1 0 343.339 2.043 20 5 EEBDRM Cc1cc(N2CC[C@](CO)(C(F)(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607684386 1351539307 /nfs/dbraw/zinc/53/93/07/1351539307.db2.gz NZSSSFUJIXEMNU-ZDUSSCGKSA-N -1 0 348.277 2.353 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)n1 ZINC001608122609 1351629590 /nfs/dbraw/zinc/62/95/90/1351629590.db2.gz NTDUFYTVKUSQEW-CYBMUJFWSA-N -1 0 345.311 2.261 20 5 EEBDRM CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001121792730 1371924399 /nfs/dbraw/zinc/92/43/99/1371924399.db2.gz ZKBRROOZFHFBJE-JQWIXIFHSA-N -1 0 329.360 2.425 20 5 EEBDRM C[C@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000835154274 1372597130 /nfs/dbraw/zinc/59/71/30/1372597130.db2.gz AYNVNFVQDWIUKP-QPUJVOFHSA-N -1 0 332.403 2.288 20 5 EEBDRM CNc1nccc(C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001606314466 1404789619 /nfs/dbraw/zinc/78/96/19/1404789619.db2.gz QMNBLOWJEIKRKW-SECBINFHSA-N -1 0 325.321 2.078 20 5 EEBDRM Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160442 775440215 /nfs/dbraw/zinc/44/02/15/775440215.db2.gz BTXZILQRXDVJET-UHFFFAOYSA-N -1 0 344.345 2.223 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cncc(Cl)n1 ZINC000185923940 784235345 /nfs/dbraw/zinc/23/53/45/784235345.db2.gz CFOLZQVXCSWQOQ-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)nn1C ZINC000817355304 784692248 /nfs/dbraw/zinc/69/22/48/784692248.db2.gz TUJAVOHZJRDGDU-UHFFFAOYSA-N -1 0 342.352 2.139 20 5 EEBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)CCOCC2CC2)ccc1Cl ZINC000818046935 785189312 /nfs/dbraw/zinc/18/93/12/785189312.db2.gz GXVVHMMYMQLHGE-UHFFFAOYSA-N -1 0 334.781 2.417 20 5 EEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1CCCC1 ZINC000821602975 786818518 /nfs/dbraw/zinc/81/85/18/786818518.db2.gz DKMAGDRNHKYVQZ-UHFFFAOYSA-N -1 0 341.389 2.022 20 5 EEBDRM CC(C)CCn1ccc([N-]c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])n1 ZINC000824249575 788108029 /nfs/dbraw/zinc/10/80/29/788108029.db2.gz PNOFZQBVTDAGEQ-UHFFFAOYSA-N -1 0 343.351 2.156 20 5 EEBDRM CC(=O)OC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843837867 788702652 /nfs/dbraw/zinc/70/26/52/788702652.db2.gz HGBFNHWEZLYRMS-UHFFFAOYSA-N -1 0 342.735 2.122 20 5 EEBDRM CN(C[C@](C)(O)c1ccccc1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844210610 788928400 /nfs/dbraw/zinc/92/84/00/788928400.db2.gz WRQLOZOPPAQWKO-INIZCTEOSA-N -1 0 331.328 2.032 20 5 EEBDRM C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000151761343 794143785 /nfs/dbraw/zinc/14/37/85/794143785.db2.gz NNXJUPBMSLIZEO-ZJUUUORDSA-N -1 0 344.364 2.365 20 5 EEBDRM CCOC(=O)c1nnsc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673243 798523674 /nfs/dbraw/zinc/52/36/74/798523674.db2.gz VCGVHYQNPTXRJV-UHFFFAOYSA-N -1 0 338.301 2.065 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc3c(c2)C(=O)NCCO3)cc([N+](=O)[O-])c1 ZINC001176677433 798524730 /nfs/dbraw/zinc/52/47/30/798524730.db2.gz WFQOKJISPCWTGA-UHFFFAOYSA-N -1 0 343.295 2.159 20 5 EEBDRM O=C([O-])c1ncccc1NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001595273052 949857764 /nfs/dbraw/zinc/85/77/64/949857764.db2.gz GTEQZIJHUBFCEE-UHFFFAOYSA-N -1 0 328.284 2.236 20 5 EEBDRM O=C([O-])Cc1ccc(OS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC001595130625 952032342 /nfs/dbraw/zinc/03/23/42/952032342.db2.gz KYPCOCXJGGXCSS-UHFFFAOYSA-N -1 0 343.338 2.051 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001589310679 953791548 /nfs/dbraw/zinc/79/15/48/953791548.db2.gz WGTYVZXZANUGHN-NKWVEPMBSA-N -1 0 336.270 2.037 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001589344187 954037598 /nfs/dbraw/zinc/03/75/98/954037598.db2.gz NFYBGPJZCLIISE-DMDPSCGWSA-N -1 0 335.360 2.408 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C(=O)[O-] ZINC001589348398 954067654 /nfs/dbraw/zinc/06/76/54/954067654.db2.gz SCWHENZDUZFWAF-RNCFNFMXSA-N -1 0 331.328 2.259 20 5 EEBDRM CN(C)c1cc(F)c(C(=O)Nc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001593711460 954192208 /nfs/dbraw/zinc/19/22/08/954192208.db2.gz ZACKLLIEZVDDOE-UHFFFAOYSA-N -1 0 348.290 2.145 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1OC(=O)Cc1ccccc1C(=O)[O-] ZINC001594112954 958535501 /nfs/dbraw/zinc/53/55/01/958535501.db2.gz XAAHLQSIQPJHAL-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM C[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC001588554034 959043614 /nfs/dbraw/zinc/04/36/14/959043614.db2.gz LDQFSXDFOITQLD-ZANVPECISA-N -1 0 338.335 2.455 20 5 EEBDRM C[C@H](C(=O)[O-])c1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC001588600257 959417519 /nfs/dbraw/zinc/41/75/19/959417519.db2.gz URONVPXLEXEBRE-QMMMGPOBSA-N -1 0 329.272 2.019 20 5 EEBDRM Cc1c(Br)c(N2CC[C@@H](C(=O)[O-])[C@H]2C)ncc1[N+](=O)[O-] ZINC000228013377 959980847 /nfs/dbraw/zinc/98/08/47/959980847.db2.gz BSSRWQVOECTUTJ-HTQZYQBOSA-N -1 0 344.165 2.360 20 5 EEBDRM O=C([O-])c1nn(Cc2cc(Br)cs2)cc1[N+](=O)[O-] ZINC000229737819 960091125 /nfs/dbraw/zinc/09/11/25/960091125.db2.gz VLCORLZHSNEAPM-UHFFFAOYSA-N -1 0 332.135 2.362 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001605309580 973127599 /nfs/dbraw/zinc/12/75/99/973127599.db2.gz CPINMQPVEYPESG-CHWSQXEVSA-N -1 0 344.371 2.331 20 5 EEBDRM C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C(=O)[O-] ZINC001603421675 973133640 /nfs/dbraw/zinc/13/36/40/973133640.db2.gz FHCULMNKSZRIPR-SCZZXKLOSA-N -1 0 325.296 2.308 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C(=O)[O-] ZINC001603426189 973155493 /nfs/dbraw/zinc/15/54/93/973155493.db2.gz BYZYKPCIBAPNPE-WPRPVWTQSA-N -1 0 326.736 2.431 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001604738845 973946422 /nfs/dbraw/zinc/94/64/22/973946422.db2.gz CFSWIUKIYNARSB-OAHLLOKOSA-N -1 0 344.323 2.468 20 5 EEBDRM CC(C)O[C@@]1(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCOC1 ZINC001591695279 975518845 /nfs/dbraw/zinc/51/88/45/975518845.db2.gz HSCLZVIYZMOKCO-HNNXBMFYSA-N -1 0 325.317 2.256 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001591751116 975801636 /nfs/dbraw/zinc/80/16/36/975801636.db2.gz IZQWESLCRYNLSY-GFCCVEGCSA-N -1 0 334.328 2.285 20 5 EEBDRM C[C@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001599922569 985156440 /nfs/dbraw/zinc/15/64/40/985156440.db2.gz JUUSEIYVVLWZOZ-WCBMZHEXSA-N -1 0 325.296 2.308 20 5 EEBDRM CCOc1cc(CN2CC(F)(F)C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001597033052 986460172 /nfs/dbraw/zinc/46/01/72/986460172.db2.gz XMHQRMNOVKQLLU-LLVKDONJSA-N -1 0 330.287 2.288 20 5 EEBDRM C[C@@H](C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001589429580 986710302 /nfs/dbraw/zinc/71/03/02/986710302.db2.gz MZKSDJORRMYVFB-SYZWTGEBSA-N -1 0 332.356 2.314 20 5 EEBDRM C[C@@H]1c2cccn2CCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594671486 986984023 /nfs/dbraw/zinc/98/40/23/986984023.db2.gz ONRCJSMOITYKGE-SNVBAGLBSA-N -1 0 329.312 2.312 20 5 EEBDRM CCc1ccc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001597498465 988045172 /nfs/dbraw/zinc/04/51/72/988045172.db2.gz CZXXUGOFRMVWKP-NSHDSACASA-N -1 0 328.271 2.092 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001599884637 989534742 /nfs/dbraw/zinc/53/47/42/989534742.db2.gz YMXVSGBGMHUMDX-HNNXBMFYSA-N -1 0 332.316 2.084 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001597843366 989550729 /nfs/dbraw/zinc/55/07/29/989550729.db2.gz ICVCOXOCSXOPFR-UHFFFAOYSA-N -1 0 339.739 2.478 20 5 EEBDRM CC(C)(C)OC(=O)NCCSc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001590200756 989562336 /nfs/dbraw/zinc/56/23/36/989562336.db2.gz HXHIPPHXMCENAN-UHFFFAOYSA-N -1 0 343.361 2.305 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001598501707 992442877 /nfs/dbraw/zinc/44/28/77/992442877.db2.gz BCDFPWKXQLFBPV-HDJSIYSDSA-N -1 0 334.372 2.487 20 5 EEBDRM CC(C)C[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001591462585 992574023 /nfs/dbraw/zinc/57/40/23/992574023.db2.gz DGUVSLFREYZSKD-NSHDSACASA-N -1 0 328.752 2.406 20 5 EEBDRM C[C@H](C1CC1)N(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001593168899 994017376 /nfs/dbraw/zinc/01/73/76/994017376.db2.gz UQSUMDPBIHATSO-VHSXEESVSA-N -1 0 335.360 2.032 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171035 994028429 /nfs/dbraw/zinc/02/84/29/994028429.db2.gz RADPWWBJFUMHCW-GHMZBOCLSA-N -1 0 349.387 2.423 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1C(=O)[O-] ZINC001599622197 994099400 /nfs/dbraw/zinc/09/94/00/994099400.db2.gz BWARPWDQIRBQPD-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM C[C@H](OC(=O)c1cc(C(=O)[O-])co1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001593556468 995642864 /nfs/dbraw/zinc/64/28/64/995642864.db2.gz MBLXFUJBTHVULF-QMMMGPOBSA-N -1 0 348.267 2.070 20 5 EEBDRM COc1cc(CN(CC(=O)[O-])c2ccc([N+](=O)[O-])cn2)cc(OC)c1 ZINC001599406344 997310384 /nfs/dbraw/zinc/31/03/84/997310384.db2.gz AWZLCKXMYCYGJC-UHFFFAOYSA-N -1 0 347.327 2.098 20 5 EEBDRM COc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)ccn1 ZINC001599354616 998157698 /nfs/dbraw/zinc/15/76/98/998157698.db2.gz FSRPBIUSIVVVFP-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COc1cc(C(=O)Nc2cccnc2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599356103 998181404 /nfs/dbraw/zinc/18/14/04/998181404.db2.gz XETVNZJCSOPBQT-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055617897 214333835 /nfs/dbraw/zinc/33/38/35/214333835.db2.gz DRSDSWTZLPVIQE-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM Cc1csc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)n1 ZINC000179426677 233021500 /nfs/dbraw/zinc/02/15/00/233021500.db2.gz FRYJPCYGIUPYPE-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236711457 242329505 /nfs/dbraw/zinc/32/95/05/242329505.db2.gz URAYQHJDUXSQKK-CQSZACIVSA-N -1 0 335.360 2.034 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000458396446 244812372 /nfs/dbraw/zinc/81/23/72/244812372.db2.gz QUSCOPMLPNXXJK-JTQLQIEISA-N -1 0 338.360 2.350 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000262734207 245150490 /nfs/dbraw/zinc/15/04/90/245150490.db2.gz VCBGYNPGSVUIDS-MXWKQRLJSA-N -1 0 338.385 2.445 20 5 EEBDRM CCCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n(C)n1 ZINC000092876963 218178853 /nfs/dbraw/zinc/17/88/53/218178853.db2.gz MWBODDMENGCBKZ-UHFFFAOYSA-N -1 0 338.389 2.390 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@@H](C3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000263563636 304222060 /nfs/dbraw/zinc/22/20/60/304222060.db2.gz DLTMACDOVYSDMM-GFCCVEGCSA-N -1 0 348.355 2.182 20 5 EEBDRM CN(Cc1nc2ccccc2n1C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097373282 219017466 /nfs/dbraw/zinc/01/74/66/219017466.db2.gz JYKXWFQRZMYUEC-UHFFFAOYSA-N -1 0 340.339 2.459 20 5 EEBDRM Cc1cc(N2CC[C@@H](C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262104094 291939083 /nfs/dbraw/zinc/93/90/83/291939083.db2.gz JIPITDMSEYYZSW-GFCCVEGCSA-N -1 0 328.328 2.271 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000271100973 256207935 /nfs/dbraw/zinc/20/79/35/256207935.db2.gz YGXJFHAVWQCUAK-SNVBAGLBSA-N -1 0 344.389 2.085 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000273487834 256300804 /nfs/dbraw/zinc/30/08/04/256300804.db2.gz RRIWHXBTCVQLHK-UHFFFAOYSA-N -1 0 342.402 2.457 20 5 EEBDRM Cc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(N)c([N+](=O)[O-])c1 ZINC000262747439 140893025 /nfs/dbraw/zinc/89/30/25/140893025.db2.gz ARLDLHCTTHKZTJ-LLVKDONJSA-N -1 0 335.360 2.202 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262891957 152335395 /nfs/dbraw/zinc/33/53/95/152335395.db2.gz CKIRKCCEHPHBFB-CABZTGNLSA-N -1 0 333.344 2.104 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262891959 152335405 /nfs/dbraw/zinc/33/54/05/152335405.db2.gz CKIRKCCEHPHBFB-JOYOIKCWSA-N -1 0 333.344 2.104 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000359421209 153354505 /nfs/dbraw/zinc/35/45/05/153354505.db2.gz XZEIZFPOIPTGEW-UHFFFAOYSA-N -1 0 345.739 2.146 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000359421024 153354993 /nfs/dbraw/zinc/35/49/93/153354993.db2.gz XCVPJFGQUXCGQH-UHFFFAOYSA-N -1 0 345.739 2.146 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nc[nH]n2)c1 ZINC000092550161 159222712 /nfs/dbraw/zinc/22/27/12/159222712.db2.gz QRNICFDVSPJWNY-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM COCCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000342315392 161055658 /nfs/dbraw/zinc/05/56/58/161055658.db2.gz OQHYMKHRQNIZLA-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM COC(=O)c1coc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000342460008 161067113 /nfs/dbraw/zinc/06/71/13/161067113.db2.gz CUIFFWXANAPTMS-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM COCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CCCSC1 ZINC000344791151 161246155 /nfs/dbraw/zinc/24/61/55/161246155.db2.gz JJUWWTLPPFECCO-LBPRGKRZSA-N -1 0 340.401 2.285 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000345902439 161340937 /nfs/dbraw/zinc/34/09/37/161340937.db2.gz JEUNHGMJZNDSOW-UHFFFAOYSA-N -1 0 332.316 2.053 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cnn(-c3ccccc3)c2)[nH]1 ZINC000352029518 162036642 /nfs/dbraw/zinc/03/66/42/162036642.db2.gz ZVOWSZDHRDLNLP-SREVYHEPSA-N -1 0 325.284 2.152 20 5 EEBDRM CC(C)(C)c1nc(=NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s[n-]1 ZINC000354890658 163004347 /nfs/dbraw/zinc/00/43/47/163004347.db2.gz UQCYIGGGDXTANA-UHFFFAOYSA-N -1 0 346.372 2.294 20 5 EEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N(CCO)Cc1cccc(F)c1 ZINC000355324178 163145747 /nfs/dbraw/zinc/14/57/47/163145747.db2.gz XFTHOUZMLXANST-UHFFFAOYSA-N -1 0 334.303 2.074 20 5 EEBDRM COc1cc(O)cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000355812306 163309758 /nfs/dbraw/zinc/30/97/58/163309758.db2.gz NSPSORVYCQKYHN-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000358891453 164009582 /nfs/dbraw/zinc/00/95/82/164009582.db2.gz HGNNYJXZMBBBLX-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCOc2cc(O)ccc2C1 ZINC000376402014 167317874 /nfs/dbraw/zinc/31/78/74/167317874.db2.gz FNFAJBYLPFGCTL-UHFFFAOYSA-N -1 0 330.296 2.041 20 5 EEBDRM Cc1ccc2c(c1)nc(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)n2C ZINC000184009733 274018675 /nfs/dbraw/zinc/01/86/75/274018675.db2.gz SPHRXNWXKGZKOI-UHFFFAOYSA-N -1 0 340.339 2.426 20 5 EEBDRM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)C1CCCCC1 ZINC000255074538 292690988 /nfs/dbraw/zinc/69/09/88/292690988.db2.gz QWQQFBJQIVCWEJ-KTKRTIGZSA-N -1 0 338.385 2.387 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000416445160 313224967 /nfs/dbraw/zinc/22/49/67/313224967.db2.gz KCQJORFIXJCKCA-SMDDNHRTSA-N -1 0 335.360 2.025 20 5 EEBDRM COC(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCCC1 ZINC000436903972 315011228 /nfs/dbraw/zinc/01/12/28/315011228.db2.gz OFSWUMIOHDONFZ-UHFFFAOYSA-N -1 0 336.344 2.154 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(O)c1 ZINC000442842030 315215090 /nfs/dbraw/zinc/21/50/90/315215090.db2.gz HLGZMPMDNKIGGQ-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000517560568 316675079 /nfs/dbraw/zinc/67/50/79/316675079.db2.gz NFYBGPJZCLIISE-NTZNESFSSA-N -1 0 335.360 2.408 20 5 EEBDRM CCOC(=O)CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000563181959 318980508 /nfs/dbraw/zinc/98/05/08/318980508.db2.gz HUVMLFHRKXDDMW-UHFFFAOYSA-N -1 0 344.751 2.368 20 5 EEBDRM O=C([O-])c1cc(N2CC[C@@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000564214191 319072939 /nfs/dbraw/zinc/07/29/39/319072939.db2.gz NEXKZGYPUGOLKD-GOSISDBHSA-N -1 0 342.351 2.433 20 5 EEBDRM O=C([O-])c1cc(N2CC[C@H](OCc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000564334204 319079192 /nfs/dbraw/zinc/07/91/92/319079192.db2.gz DELURFCGEVHVFS-AWEZNQCLSA-N -1 0 343.339 2.484 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](c3ccccn3)C2)n1 ZINC000566297797 319271325 /nfs/dbraw/zinc/27/13/25/319271325.db2.gz MLXAMVUORTUFBK-QMTHXVAHSA-N -1 0 344.327 2.415 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](O)C[C@H]2c2ccccc2)n1 ZINC000567113900 319349760 /nfs/dbraw/zinc/34/97/60/319349760.db2.gz WMKYOKZWWCBGDT-OCCSQVGLSA-N -1 0 343.339 2.309 20 5 EEBDRM O=C(NCC1(CO)CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567474514 319383177 /nfs/dbraw/zinc/38/31/77/319383177.db2.gz HTTQWWQLTSKWTA-UHFFFAOYSA-N -1 0 328.752 2.236 20 5 EEBDRM CN(C[C@H]1OCCc2ccccc21)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000572649045 319865757 /nfs/dbraw/zinc/86/57/57/319865757.db2.gz YVBYANMQEZETTA-OAHLLOKOSA-N -1 0 343.339 2.438 20 5 EEBDRM CNc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000574304106 320014196 /nfs/dbraw/zinc/01/41/96/320014196.db2.gz NPWYXVCVJXMMDS-GFCCVEGCSA-N -1 0 335.360 2.496 20 5 EEBDRM Cn1ncc2ccc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc21 ZINC000575918565 320125318 /nfs/dbraw/zinc/12/53/18/320125318.db2.gz YNSVNUOFNQJFAS-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM Cc1nn(C)c(C)c1C[C@@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000521252889 448966866 /nfs/dbraw/zinc/96/68/66/448966866.db2.gz PXYUEYXYTMVWPU-MRVPVSSYSA-N -1 0 347.375 2.390 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000091021303 462820637 /nfs/dbraw/zinc/82/06/37/462820637.db2.gz ZIXCJVWQCQPLRB-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000077275063 462961818 /nfs/dbraw/zinc/96/18/18/462961818.db2.gz GUFBGTGOLXECDI-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM Cc1ccc(NC(=O)CN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000016594883 462983384 /nfs/dbraw/zinc/98/33/84/462983384.db2.gz OJIBSZZFAQURIB-UHFFFAOYSA-N -1 0 343.339 2.320 20 5 EEBDRM Cc1ccnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C2CC2)n1 ZINC000134280890 463022119 /nfs/dbraw/zinc/02/21/19/463022119.db2.gz DFCISAFJVGSXAY-CYBMUJFWSA-N -1 0 328.328 2.280 20 5 EEBDRM Cc1c(Br)c(N2CCC[C@@H](C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000165655288 463645379 /nfs/dbraw/zinc/64/53/79/463645379.db2.gz KCGXDBWNNISFKE-MRVPVSSYSA-N -1 0 344.165 2.362 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000268938611 463817715 /nfs/dbraw/zinc/81/77/15/463817715.db2.gz ASVAAIPSMNKELS-JTQLQIEISA-N -1 0 344.364 2.114 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCC(=O)[O-] ZINC000262302688 463996227 /nfs/dbraw/zinc/99/62/27/463996227.db2.gz BSBLDOZYGVGURN-SNVBAGLBSA-N -1 0 326.374 2.447 20 5 EEBDRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262992676 464054375 /nfs/dbraw/zinc/05/43/75/464054375.db2.gz OEOQNZSHIRSKGQ-INIZCTEOSA-N -1 0 337.376 2.402 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCn2ccnc2C1 ZINC000180789514 464396294 /nfs/dbraw/zinc/39/62/94/464396294.db2.gz ZKKGZXPAYLISQM-QMMMGPOBSA-N -1 0 336.735 2.351 20 5 EEBDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000181060072 464440337 /nfs/dbraw/zinc/44/03/37/464440337.db2.gz ONLKPHJILKHXOT-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C(=O)[O-])C1 ZINC000568893432 468403594 /nfs/dbraw/zinc/40/35/94/468403594.db2.gz KNIFMRVFTAVWRS-GXFFZTMASA-N -1 0 346.343 2.330 20 5 EEBDRM O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272408156 464596320 /nfs/dbraw/zinc/59/63/20/464596320.db2.gz OFVNKXPZIVJHFJ-MEBBXXQBSA-N -1 0 338.385 2.085 20 5 EEBDRM O=C(Nc1cc(C2CCOCC2)[nH]n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272449979 464614716 /nfs/dbraw/zinc/61/47/16/464614716.db2.gz VYCLEVDNZVRTCO-UHFFFAOYSA-N -1 0 332.316 2.170 20 5 EEBDRM O=C(NC[C@H](CCO)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183096775 464795835 /nfs/dbraw/zinc/79/58/35/464795835.db2.gz FHNCYSWMYKXXFY-AWEZNQCLSA-N -1 0 330.340 2.196 20 5 EEBDRM CCOC(=O)c1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356413316 465367792 /nfs/dbraw/zinc/36/77/92/465367792.db2.gz NWFVHNAJWMCUHF-UHFFFAOYSA-N -1 0 344.323 2.407 20 5 EEBDRM CC1(C)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)cc2O1 ZINC000339646380 465414399 /nfs/dbraw/zinc/41/43/99/465414399.db2.gz AZXYTKRINDGFHK-UHFFFAOYSA-N -1 0 331.284 2.455 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000569224818 468459064 /nfs/dbraw/zinc/45/90/64/468459064.db2.gz FUQFJBCBONUUOQ-BZNIZROVSA-N -1 0 336.344 2.067 20 5 EEBDRM O=c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c[nH]1 ZINC000357336238 465958936 /nfs/dbraw/zinc/95/89/36/465958936.db2.gz UTDHVZVXGNMKNM-UHFFFAOYSA-N -1 0 329.721 2.150 20 5 EEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ncccc2[O-])cc1OC ZINC000358023966 466393720 /nfs/dbraw/zinc/39/37/20/466393720.db2.gz LZCYJFVXXHGMGM-UHFFFAOYSA-N -1 0 333.300 2.355 20 5 EEBDRM O=C(Nc1cccc(Cn2cncn2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000340933523 466447120 /nfs/dbraw/zinc/44/71/20/466447120.db2.gz VRVVQFZLKBGACW-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM COc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000424259809 467015468 /nfs/dbraw/zinc/01/54/68/467015468.db2.gz ZDLOSIYHAAUBSU-OTYXRUKQSA-N -1 0 336.344 2.237 20 5 EEBDRM CC(C)C[C@H](C(N)=O)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000412233573 467045944 /nfs/dbraw/zinc/04/59/44/467045944.db2.gz OPXDEVSXXJUORB-MRVPVSSYSA-N -1 0 329.740 2.040 20 5 EEBDRM CCCN1C[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O ZINC000412233564 467045992 /nfs/dbraw/zinc/04/59/92/467045992.db2.gz OPGUJKYIHWAMDA-QMMMGPOBSA-N -1 0 341.751 2.151 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000432120568 467217078 /nfs/dbraw/zinc/21/70/78/467217078.db2.gz QQNCHPKEEIJGKI-OLZOCXBDSA-N -1 0 332.356 2.371 20 5 EEBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](CC)C(=O)OCC ZINC000436524324 467543723 /nfs/dbraw/zinc/54/37/23/467543723.db2.gz GPYZQZGUSVGWGH-ZDUSSCGKSA-N -1 0 338.360 2.494 20 5 EEBDRM Cc1ccc(C[C@H](CO)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC000457248527 467785606 /nfs/dbraw/zinc/78/56/06/467785606.db2.gz HSMNJBFJEILLLR-OAHLLOKOSA-N -1 0 344.367 2.251 20 5 EEBDRM O=C([O-])CCN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000493583722 467942047 /nfs/dbraw/zinc/94/20/47/467942047.db2.gz LVTRKWZUXKQYLL-WAYWQWQTSA-N -1 0 348.355 2.090 20 5 EEBDRM CCc1nn(C)c(NCc2ccc(C(=O)[O-])c(OC)c2)c1[N+](=O)[O-] ZINC000515302366 467984084 /nfs/dbraw/zinc/98/40/84/467984084.db2.gz RIGBWZBQSCBLPD-UHFFFAOYSA-N -1 0 334.332 2.210 20 5 EEBDRM CC(=O)Nc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000531765887 468073861 /nfs/dbraw/zinc/07/38/61/468073861.db2.gz RCAPUXMKFVIGKT-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM O=C([O-])c1ccnc(N2CC[C@H](Nc3ccccc3)C2)c1[N+](=O)[O-] ZINC000519776151 468208835 /nfs/dbraw/zinc/20/88/35/468208835.db2.gz OHXRIZYUXZUDGD-LBPRGKRZSA-N -1 0 328.328 2.379 20 5 EEBDRM CC[C@H](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000567990460 468251873 /nfs/dbraw/zinc/25/18/73/468251873.db2.gz MWXOEVYGELMGMR-JOYOIKCWSA-N -1 0 344.389 2.071 20 5 EEBDRM CCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000592468344 468704717 /nfs/dbraw/zinc/70/47/17/468704717.db2.gz RVXIBYXTDKFVJR-PWSUYJOCSA-N -1 0 336.344 2.176 20 5 EEBDRM O=C(NCc1cccnc1N1CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597939804 468717950 /nfs/dbraw/zinc/71/79/50/468717950.db2.gz BYGPLCNJGRVQLB-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000595248108 468792604 /nfs/dbraw/zinc/79/26/04/468792604.db2.gz DMCOKBRNLZYBBO-CYBMUJFWSA-N -1 0 345.355 2.167 20 5 EEBDRM C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595280674 468799257 /nfs/dbraw/zinc/79/92/57/468799257.db2.gz UXTHRKOFRTXNGX-JGVFFNPUSA-N -1 0 349.265 2.234 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC2Cc3ccccc3C2)n1 ZINC000592972724 468831731 /nfs/dbraw/zinc/83/17/31/468831731.db2.gz SYQNYLVMNSKJDR-UHFFFAOYSA-N -1 0 327.340 2.823 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@](CO)(C(C)C)C2)n1 ZINC000592979194 468832754 /nfs/dbraw/zinc/83/27/54/468832754.db2.gz VQEABCALTIXBLM-MRXNPFEDSA-N -1 0 337.376 2.231 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1CO ZINC000598780151 469001344 /nfs/dbraw/zinc/00/13/44/469001344.db2.gz GWIKEUMYSMSJMC-DTWKUNHWSA-N -1 0 328.752 2.044 20 5 EEBDRM CC[C@@H]1COC(C)(C)CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000593697177 469100457 /nfs/dbraw/zinc/10/04/57/469100457.db2.gz PKUBDZWKISRVOX-GFCCVEGCSA-N -1 0 336.344 2.323 20 5 EEBDRM COc1ccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])c(OC)c1OC ZINC000596083335 469146302 /nfs/dbraw/zinc/14/63/02/469146302.db2.gz ZZIPPUBBVQMSDC-UHFFFAOYSA-N -1 0 335.316 2.333 20 5 EEBDRM Cc1cc(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000589194036 469211687 /nfs/dbraw/zinc/21/16/87/469211687.db2.gz QUUSOEJGVAYKHG-UHFFFAOYSA-N -1 0 340.332 2.226 20 5 EEBDRM O=C([O-])c1cccnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000603862265 469437691 /nfs/dbraw/zinc/43/76/91/469437691.db2.gz JHAXXEVSMCDIFU-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM C[C@@](CNC(=O)Cc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000619644321 469656765 /nfs/dbraw/zinc/65/67/65/469656765.db2.gz BFOFQLCLDGYXKN-SFHVURJKSA-N -1 0 342.351 2.296 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2ccc(O)cc2CC1 ZINC000609921360 469970826 /nfs/dbraw/zinc/97/08/26/469970826.db2.gz NDLMZVUXWJXKHH-UHFFFAOYSA-N -1 0 328.324 2.247 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c1 ZINC000610227318 469989068 /nfs/dbraw/zinc/98/90/68/469989068.db2.gz KCSIDTPRCJMVOW-UHFFFAOYSA-N -1 0 340.295 2.499 20 5 EEBDRM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1 ZINC000421243089 536543577 /nfs/dbraw/zinc/54/35/77/536543577.db2.gz ZUFGFKDWCFMGLC-LLVKDONJSA-N -1 0 331.394 2.101 20 5 EEBDRM CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000456154959 535507143 /nfs/dbraw/zinc/50/71/43/535507143.db2.gz LWYAODSXANXGAF-KGLIPLIRSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731548433 577106202 /nfs/dbraw/zinc/10/62/02/577106202.db2.gz ZMYSUECGHLPZHM-UHFFFAOYSA-N -1 0 344.364 2.374 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000732903656 577196640 /nfs/dbraw/zinc/19/66/40/577196640.db2.gz LZBXOQKXJWSHIU-SNVBAGLBSA-N -1 0 343.405 2.132 20 5 EEBDRM O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773539142 577348957 /nfs/dbraw/zinc/34/89/57/577348957.db2.gz XHPWUGYQINKOKL-RTXFEEFZSA-N -1 0 340.426 2.410 20 5 EEBDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000774289235 577393768 /nfs/dbraw/zinc/39/37/68/577393768.db2.gz SNTKBNCNIOUTEL-UHFFFAOYSA-N -1 0 326.374 2.330 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nnc1C ZINC000775058509 577428155 /nfs/dbraw/zinc/42/81/55/577428155.db2.gz VCFMUJOCPMSDMB-UHFFFAOYSA-N -1 0 342.764 2.456 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCc1n[n-]c(=S)o1 ZINC000776536767 577461603 /nfs/dbraw/zinc/46/16/03/577461603.db2.gz NOPXCIPAVMKFQW-UHFFFAOYSA-N -1 0 336.373 2.164 20 5 EEBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000777402198 577478151 /nfs/dbraw/zinc/47/81/51/577478151.db2.gz XXPXIMBBSMPLHI-NSHDSACASA-N -1 0 335.360 2.140 20 5 EEBDRM O=C(O[C@H]1CCOC[C@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000767015969 577528914 /nfs/dbraw/zinc/52/89/14/577528914.db2.gz HOLWURMUVVGPOI-LSDHHAIUSA-N -1 0 346.339 2.454 20 5 EEBDRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000767953619 577547953 /nfs/dbraw/zinc/54/79/53/577547953.db2.gz AEMZJQRDKALNGN-UHFFFAOYSA-N -1 0 344.389 2.235 20 5 EEBDRM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768865307 577564522 /nfs/dbraw/zinc/56/45/22/577564522.db2.gz HKEZVMIWKLUESD-UHFFFAOYSA-N -1 0 346.317 2.294 20 5 EEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC12CCC2 ZINC000759829837 577651425 /nfs/dbraw/zinc/65/14/25/577651425.db2.gz UONJYMYVGGBQHN-MRVPVSSYSA-N -1 0 344.776 2.243 20 5 EEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccnc(C(=O)[O-])c1)CC2 ZINC000762365184 577699904 /nfs/dbraw/zinc/69/99/04/577699904.db2.gz QKZYPMCQWFVCNP-UHFFFAOYSA-N -1 0 327.296 2.199 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000746307228 577925679 /nfs/dbraw/zinc/92/56/79/577925679.db2.gz TVTJHDAOMSTWLW-UHFFFAOYSA-N -1 0 331.240 2.454 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC12CCCC2 ZINC000747478285 577945198 /nfs/dbraw/zinc/94/51/98/577945198.db2.gz FQOCJRURYASORF-LBPRGKRZSA-N -1 0 342.348 2.119 20 5 EEBDRM O=C([O-])c1cc(OCC(=O)c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000739329146 578048717 /nfs/dbraw/zinc/04/87/17/578048717.db2.gz PLYVVUCUZMFWIT-UHFFFAOYSA-N -1 0 345.263 2.283 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)CSc2ccccc2[N+](=O)[O-])o1 ZINC000739337437 578048938 /nfs/dbraw/zinc/04/89/38/578048938.db2.gz HILZQGSSACIEKQ-UHFFFAOYSA-N -1 0 336.325 2.295 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2COc3ccccc32)cc([N+](=O)[O-])c1 ZINC000740081072 578080134 /nfs/dbraw/zinc/08/01/34/578080134.db2.gz KSVDCTAYLDWYIY-CYBMUJFWSA-N -1 0 328.280 2.408 20 5 EEBDRM CC[C@@H](C)CN(C)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736880596 578228230 /nfs/dbraw/zinc/22/82/30/578228230.db2.gz SBRXZTJVHVAZEE-GHMZBOCLSA-N -1 0 337.376 2.280 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000821509843 597350899 /nfs/dbraw/zinc/35/08/99/597350899.db2.gz YOAPXIAVUVNMLP-JTQLQIEISA-N -1 0 332.234 2.303 20 5 EEBDRM O=C([O-])CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000821524647 598209415 /nfs/dbraw/zinc/20/94/15/598209415.db2.gz MXJGUAPPKNQVSF-UHFFFAOYSA-N -1 0 344.279 2.055 20 5 EEBDRM C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000828199845 600825730 /nfs/dbraw/zinc/82/57/30/600825730.db2.gz AJERFBZTSUJNMN-CKTNBAMMSA-N -1 0 345.355 2.114 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000833113117 601192245 /nfs/dbraw/zinc/19/22/45/601192245.db2.gz NRSYELDVPYYQLT-NWDGAFQWSA-N -1 0 335.312 2.212 20 5 EEBDRM CC(C)C[C@H](NC(=O)COc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000826793864 601347255 /nfs/dbraw/zinc/34/72/55/601347255.db2.gz SQZWQQNNEXUQMO-NSHDSACASA-N -1 0 344.751 2.243 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000830379000 601389285 /nfs/dbraw/zinc/38/92/85/601389285.db2.gz FTAXXRSKUWHKCR-UHFFFAOYSA-N -1 0 349.343 2.465 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000827908730 601713090 /nfs/dbraw/zinc/71/30/90/601713090.db2.gz MZAIDANZJUBDKM-KWBADKCTSA-N -1 0 338.385 2.255 20 5 EEBDRM O=C([O-])C=Cc1ccc(N[C@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000833197238 602160481 /nfs/dbraw/zinc/16/04/81/602160481.db2.gz NERUJUQLWQKISH-QSLRECBCSA-N -1 0 328.328 2.385 20 5 EEBDRM Cc1cc(N2CCC(C3OCCO3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890811 602315878 /nfs/dbraw/zinc/31/58/78/602315878.db2.gz XEZMUHYCSZFDSS-UHFFFAOYSA-N -1 0 336.344 2.191 20 5 EEBDRM O=C([O-])C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000091294501 604269905 /nfs/dbraw/zinc/26/99/05/604269905.db2.gz STOXUFZVNLOVMB-SECBINFHSA-N -1 0 345.149 2.037 20 5 EEBDRM C[C@H](Cc1cccc(O)c1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827593059 604358857 /nfs/dbraw/zinc/35/88/57/604358857.db2.gz ZLLQKGWEKYUYPH-SNVBAGLBSA-N -1 0 344.323 2.360 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000827006235 604432340 /nfs/dbraw/zinc/43/23/40/604432340.db2.gz JLQQGRUMPJNYMG-AWEZNQCLSA-N -1 0 349.343 2.026 20 5 EEBDRM O=C([O-])c1ccncc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000833334093 604877977 /nfs/dbraw/zinc/87/79/77/604877977.db2.gz MQPWXEAYGOILTB-UHFFFAOYSA-N -1 0 343.251 2.186 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000833505932 605047556 /nfs/dbraw/zinc/04/75/56/605047556.db2.gz OTAOFHUTILCRMX-LBPRGKRZSA-N -1 0 344.751 2.198 20 5 EEBDRM CNC(=O)c1ccc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000833700964 605173745 /nfs/dbraw/zinc/17/37/45/605173745.db2.gz WZKBVVUWUHQIBZ-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cn1 ZINC000134094331 676073776 /nfs/dbraw/zinc/07/37/76/676073776.db2.gz GAIGNDSUQCKMGR-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2C)cc([N+](=O)[O-])c1 ZINC000121746136 676909542 /nfs/dbraw/zinc/90/95/42/676909542.db2.gz XGVPNRNOXAUQHP-UHFFFAOYSA-N -1 0 334.353 2.330 20 5 EEBDRM O=C([O-])C1(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000013469654 682910867 /nfs/dbraw/zinc/91/08/67/682910867.db2.gz BDZSYWBMMDVVNU-UHFFFAOYSA-N -1 0 337.288 2.477 20 5 EEBDRM CO[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000843798208 1188247705 /nfs/dbraw/zinc/24/77/05/1188247705.db2.gz HNYSPKCIBBMAGG-QMMMGPOBSA-N -1 0 342.657 2.261 20 5 EEBDRM O=C(CC1=CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120630277 1198274139 /nfs/dbraw/zinc/27/41/39/1198274139.db2.gz RLPFEPGZSJZUOF-UHFFFAOYSA-N -1 0 342.348 2.429 20 5 EEBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000877776038 1200093619 /nfs/dbraw/zinc/09/36/19/1200093619.db2.gz WXHHPFJPUMMYDS-ZDUSSCGKSA-N -1 0 331.294 2.238 20 5 EEBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1ccncc1 ZINC000159548728 1208477235 /nfs/dbraw/zinc/47/72/35/1208477235.db2.gz UFRGXCWFUOIDIK-UHFFFAOYSA-N -1 0 327.749 2.122 20 5 EEBDRM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000800403320 1234106443 /nfs/dbraw/zinc/10/64/43/1234106443.db2.gz IZEWFRVUGODUFA-VIFPVBQESA-N -1 0 332.353 2.365 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000802868076 1238482996 /nfs/dbraw/zinc/48/29/96/1238482996.db2.gz ABTOBIGYIPHYGR-UHFFFAOYSA-N -1 0 326.355 2.083 20 5 EEBDRM COc1cc(-c2noc(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)n2)ccn1 ZINC001216837410 1297309570 /nfs/dbraw/zinc/30/95/70/1297309570.db2.gz WCNQWBXAAHSZBG-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM O=[N+]([O-])c1ccc([C@H](OCC[P@](=O)([O-])O)C(F)(F)F)cc1 ZINC001224603491 1300665314 /nfs/dbraw/zinc/66/53/14/1300665314.db2.gz YYWSSDVAGXCUPN-VIFPVBQESA-N -1 0 329.167 2.393 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CCC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC001226022070 1301236212 /nfs/dbraw/zinc/23/62/12/1301236212.db2.gz XBHONJBYVGJRFU-OPRDCNLKSA-N -1 0 339.348 2.471 20 5 EEBDRM CCC[C@H](CC(=O)OC)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094950 1301683910 /nfs/dbraw/zinc/68/39/10/1301683910.db2.gz GQCSGMQAWYGXRJ-SNVBAGLBSA-N -1 0 335.316 2.354 20 5 EEBDRM CSc1nc(O[C@@H](C)C(=O)OCCC(C)C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227627395 1301915652 /nfs/dbraw/zinc/91/56/52/1301915652.db2.gz FXYVLVMUZZVQJS-QMMMGPOBSA-N -1 0 345.377 2.169 20 5 EEBDRM C[C@@H](Oc1[n-]c(=O)nc2cc[nH]c21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227805869 1301971582 /nfs/dbraw/zinc/97/15/82/1301971582.db2.gz AXOIMNUBQHNSDF-SSDOTTSWSA-N -1 0 344.283 2.440 20 5 EEBDRM O=C1C[C@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC001228974096 1302552844 /nfs/dbraw/zinc/55/28/44/1302552844.db2.gz PJOINMYQDPCOFQ-ZDUSSCGKSA-N -1 0 344.323 2.186 20 5 EEBDRM COC(=O)[C@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])c1ccccc1F ZINC001228971816 1302552980 /nfs/dbraw/zinc/55/29/80/1302552980.db2.gz RYAUNZBNSILYPF-CQSZACIVSA-N -1 0 337.259 2.438 20 5 EEBDRM CCOC(=O)[C@@H](CC(C)C)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231069571 1303608849 /nfs/dbraw/zinc/60/88/49/1303608849.db2.gz ATWNXNAXMBCUEE-SSDOTTSWSA-N -1 0 333.728 2.100 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](O)c1ccc(F)cc1 ZINC000780685470 1303685676 /nfs/dbraw/zinc/68/56/76/1303685676.db2.gz UOFAEYHKBYPGBB-PSLIRLAXSA-N -1 0 334.303 2.291 20 5 EEBDRM COC(=O)[C@H]1CCC[C@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231225528 1303690295 /nfs/dbraw/zinc/69/02/95/1303690295.db2.gz ZECPFADBEDKCQM-IUCAKERBSA-N -1 0 340.288 2.319 20 5 EEBDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccn2)cc1[N+](=O)[O-] ZINC000784511596 1304492693 /nfs/dbraw/zinc/49/26/93/1304492693.db2.gz MCCIYVRIZLSXRE-UHFFFAOYSA-N -1 0 349.368 2.232 20 5 EEBDRM O=C(N[C@H](CCO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000799814203 1305452616 /nfs/dbraw/zinc/45/26/16/1305452616.db2.gz KFDKUCOGHWCVRK-CYBMUJFWSA-N -1 0 330.340 2.024 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)CC2CCC2)cccc1[N+](=O)[O-] ZINC000842405138 1315698606 /nfs/dbraw/zinc/69/86/06/1315698606.db2.gz GPIXFSHUPJXYLU-UHFFFAOYSA-N -1 0 326.374 2.039 20 5 EEBDRM O=S(=O)([N-]c1cc2cccnc2c2ncccc12)c1cn[nH]c1 ZINC001260961376 1321988038 /nfs/dbraw/zinc/98/80/38/1321988038.db2.gz VDRWHHNNAOKDLU-UHFFFAOYSA-N -1 0 325.353 2.307 20 5 EEBDRM CN(C)c1ccc(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001261502217 1322116202 /nfs/dbraw/zinc/11/62/02/1322116202.db2.gz CTOBRYHKMOGYPM-UHFFFAOYSA-N -1 0 330.344 2.409 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001608512468 1351707366 /nfs/dbraw/zinc/70/73/66/1351707366.db2.gz LIIKTTUGTYXSHN-HNNXBMFYSA-N -1 0 348.290 2.174 20 5 EEBDRM NC(=O)c1cc(NCc2ccc(C(=O)[O-])cc2F)ccc1[N+](=O)[O-] ZINC001601162460 1350222988 /nfs/dbraw/zinc/22/29/88/1350222988.db2.gz WQFFOODRUDWXNE-UHFFFAOYSA-N -1 0 333.275 2.143 20 5 EEBDRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC001602114192 1350442105 /nfs/dbraw/zinc/44/21/05/1350442105.db2.gz SQSFTWZNDKUSRJ-LBPRGKRZSA-N -1 0 334.353 2.472 20 5 EEBDRM Nc1cc(F)c(F)cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001608271500 1351660122 /nfs/dbraw/zinc/66/01/22/1351660122.db2.gz UTANOXGPULPRFJ-UHFFFAOYSA-N -1 0 337.238 2.406 20 5 EEBDRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001608705092 1351745470 /nfs/dbraw/zinc/74/54/70/1351745470.db2.gz CYRNLKBFCGXOCQ-LLVKDONJSA-N -1 0 338.364 2.252 20 5 EEBDRM O=C([O-])CCCCCS(=O)(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001608712461 1351747067 /nfs/dbraw/zinc/74/70/67/1351747067.db2.gz CKXQPVBWONPQKE-UHFFFAOYSA-N -1 0 335.309 2.088 20 5 EEBDRM O=C([O-])CSCCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001608767158 1351758724 /nfs/dbraw/zinc/75/87/24/1351758724.db2.gz MSJKRGLDRXPNJJ-UHFFFAOYSA-N -1 0 335.341 2.289 20 5 EEBDRM O=C([O-])c1ccc(OS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001608908174 1351792023 /nfs/dbraw/zinc/79/20/23/1351792023.db2.gz IUUMOSTYHYGHER-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC001608914622 1351792916 /nfs/dbraw/zinc/79/29/16/1351792916.db2.gz AVBDRUQDCNADAP-RHNCMZPLSA-N -1 0 342.351 2.433 20 5 EEBDRM O=C([O-])c1ccnc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])c1 ZINC001608952436 1351801744 /nfs/dbraw/zinc/80/17/44/1351801744.db2.gz VRYXCHMVYDGPQQ-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM O=C([O-])c1nccc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001608997676 1351810941 /nfs/dbraw/zinc/81/09/41/1351810941.db2.gz JSQOTUNDDMJUMA-LBPRGKRZSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1sccc1S(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-] ZINC001609010671 1351813661 /nfs/dbraw/zinc/81/36/61/1351813661.db2.gz ZQDMYXAHMWANLR-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM C/C(=C\C(=O)OCc1cc(C(=O)[O-])no1)c1ccc([N+](=O)[O-])cc1 ZINC001609497611 1351999211 /nfs/dbraw/zinc/99/92/11/1351999211.db2.gz HTJDTHCCAVKOQV-RMKNXTFCSA-N -1 0 332.268 2.428 20 5 EEBDRM C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609879578 1352109952 /nfs/dbraw/zinc/10/99/52/1352109952.db2.gz YDLSEWSUTAHUNL-UFBFGSQYSA-N -1 0 348.277 2.445 20 5 EEBDRM CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCC(F)(F)C1 ZINC001340948971 1337268945 /nfs/dbraw/zinc/26/89/45/1337268945.db2.gz JXNOSUFTRAFAHC-UHFFFAOYSA-N -1 0 339.302 2.424 20 5 EEBDRM CCOCCN(CC)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001610036343 1352146966 /nfs/dbraw/zinc/14/69/66/1352146966.db2.gz RYRJTJLKLCQSLR-UHFFFAOYSA-N -1 0 339.348 2.492 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610065144 1352153713 /nfs/dbraw/zinc/15/37/13/1352153713.db2.gz JWKRMNZVGQFMOG-UHFFFAOYSA-N -1 0 330.362 2.010 20 5 EEBDRM COC(=O)[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(C(=O)[O-])c1 ZINC001610155817 1352175094 /nfs/dbraw/zinc/17/50/94/1352175094.db2.gz GILVITCJRJTSSC-OAHLLOKOSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1ccc(CN(CCO)c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001610500357 1352234072 /nfs/dbraw/zinc/23/40/72/1352234072.db2.gz APYNFGMGHVMUTD-UHFFFAOYSA-N -1 0 345.355 2.304 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2ccsc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001610511151 1352236295 /nfs/dbraw/zinc/23/62/95/1352236295.db2.gz CIZAIYZTGAANGM-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001610685034 1352259868 /nfs/dbraw/zinc/25/98/68/1352259868.db2.gz CIYBOACUUIDRAA-ZDUSSCGKSA-N -1 0 348.286 2.038 20 5 EEBDRM O=C([O-])c1nsc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001610712325 1352263355 /nfs/dbraw/zinc/26/33/55/1352263355.db2.gz UEJXHOFSEZXQDI-UHFFFAOYSA-N -1 0 328.693 2.050 20 5 EEBDRM Cc1cccc(C)c1OCCCn1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1 ZINC001592228028 1349612062 /nfs/dbraw/zinc/61/20/62/1349612062.db2.gz NWXXFTIHOMRNOJ-UHFFFAOYSA-N -1 0 343.347 2.057 20 5 EEBDRM O=[N+]([O-])c1cn(Cc2cc(Cl)cc(Cl)c2)nc1-c1nnn[n-]1 ZINC001593486644 1349815099 /nfs/dbraw/zinc/81/50/99/1349815099.db2.gz DURONNJMRRELTA-UHFFFAOYSA-N -1 0 340.130 2.327 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)n1C ZINC001599987704 1349949630 /nfs/dbraw/zinc/94/96/30/1349949630.db2.gz PPWPPVSNLRABIZ-UHFFFAOYSA-N -1 0 329.356 2.498 20 5 EEBDRM Cc1c(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cnn1CC(=O)[O-] ZINC001600026655 1349957870 /nfs/dbraw/zinc/95/78/70/1349957870.db2.gz CFSUYKQMBCWAJB-UHFFFAOYSA-N -1 0 346.343 2.101 20 5 EEBDRM Cc1c(NC(=O)N2CCCO[C@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600036657 1349959416 /nfs/dbraw/zinc/95/94/16/1349959416.db2.gz CWQMABLRVLMZLO-SECBINFHSA-N -1 0 337.332 2.244 20 5 EEBDRM Cc1c(NC(=O)NCCC(C)(C)CO)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600042023 1349960537 /nfs/dbraw/zinc/96/05/37/1349960537.db2.gz BOWVTPHNANRKKC-UHFFFAOYSA-N -1 0 339.348 2.132 20 5 EEBDRM Cc1c(NC(=O)N[C@H]2CCOC[C@@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041646 1349960547 /nfs/dbraw/zinc/96/05/47/1349960547.db2.gz RNWLXBIYKITKAU-KWQFWETISA-N -1 0 337.332 2.148 20 5 EEBDRM Cc1cc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001600238168 1349999223 /nfs/dbraw/zinc/99/92/23/1349999223.db2.gz FGZMOUVRCDHUHH-DTWKUNHWSA-N -1 0 348.277 2.194 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1F ZINC001600304352 1350015553 /nfs/dbraw/zinc/01/55/53/1350015553.db2.gz XVURNDYAPPEEJF-UHFFFAOYSA-N -1 0 339.254 2.470 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)n1 ZINC001600304526 1350015869 /nfs/dbraw/zinc/01/58/69/1350015869.db2.gz WAQPSSOGVDCPIQ-UHFFFAOYSA-N -1 0 327.296 2.199 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001600305159 1350016347 /nfs/dbraw/zinc/01/63/47/1350016347.db2.gz OBJNFRQOLOXFEF-CQSZACIVSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ccc([C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])cc1C ZINC001600385701 1350036734 /nfs/dbraw/zinc/03/67/34/1350036734.db2.gz XOMICLJRVCCRKM-HNNXBMFYSA-N -1 0 343.339 2.350 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCCC[C@@H]1C(=O)[O-] ZINC001600552482 1350080397 /nfs/dbraw/zinc/08/03/97/1350080397.db2.gz VEZGXMFESDNTOU-CYBMUJFWSA-N -1 0 335.360 2.171 20 5 EEBDRM Cc1noc([C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C(C)C)n1 ZINC001600805111 1350140825 /nfs/dbraw/zinc/14/08/25/1350140825.db2.gz TXZFFRPAHGGLDH-GFCCVEGCSA-N -1 0 348.315 2.112 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-] ZINC001600837259 1350148281 /nfs/dbraw/zinc/14/82/81/1350148281.db2.gz NLGCQIDCCLHDFC-UHFFFAOYSA-N -1 0 345.260 2.101 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001600902517 1350163717 /nfs/dbraw/zinc/16/37/17/1350163717.db2.gz KJUVPFZRDMOHLY-UHFFFAOYSA-N -1 0 343.339 2.436 20 5 EEBDRM Cn1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1C(=O)[O-] ZINC001600964568 1350178239 /nfs/dbraw/zinc/17/82/39/1350178239.db2.gz RYJBULXEFSCPBZ-UHFFFAOYSA-N -1 0 328.284 2.365 20 5 EEBDRM NC(=O)C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001601147482 1350220404 /nfs/dbraw/zinc/22/04/04/1350220404.db2.gz GHTRFBKJUBXJNT-QMMMGPOBSA-N -1 0 341.751 2.181 20 5 EEBDRM O=C(COc1ccccc1)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001601344632 1350262559 /nfs/dbraw/zinc/26/25/59/1350262559.db2.gz OXMHKYZLAYSHPD-UHFFFAOYSA-N -1 0 331.280 2.320 20 5 EEBDRM O=C([O-])c1cccc(CC(=O)OCCOc2cccc([N+](=O)[O-])c2)c1 ZINC001601365658 1350267918 /nfs/dbraw/zinc/26/79/18/1350267918.db2.gz PIWBUIGPALXXIZ-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])c1sccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001601626646 1350322784 /nfs/dbraw/zinc/32/27/84/1350322784.db2.gz QJOKSCPSRQYGME-UHFFFAOYSA-N -1 0 336.281 2.336 20 5 EEBDRM O=C([O-])C12CC(C(=O)OCCSc3ccc([N+](=O)[O-])cc3)(C1)C2 ZINC001601729257 1350349699 /nfs/dbraw/zinc/34/96/99/1350349699.db2.gz AHITWTAWUQEAFO-UHFFFAOYSA-N -1 0 337.353 2.485 20 5 EEBDRM O=C([O-])[C@H]1CCCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001601817277 1350371977 /nfs/dbraw/zinc/37/19/77/1350371977.db2.gz YXGUCPLITWXNKL-CYBMUJFWSA-N -1 0 346.343 2.474 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]([C@@H]2CCCO2)C1 ZINC001601826895 1350373528 /nfs/dbraw/zinc/37/35/28/1350373528.db2.gz ABAZZCPXHPEYRB-SNPRPXQTSA-N -1 0 348.355 2.079 20 5 EEBDRM O=C([O-])/C=C/c1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001601875682 1350387580 /nfs/dbraw/zinc/38/75/80/1350387580.db2.gz VXRCVDMEIMRWBG-GQCTYLIASA-N -1 0 328.280 2.442 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@H]2CCOC23CCOCC3)c([N+](=O)[O-])c1 ZINC001601883925 1350390228 /nfs/dbraw/zinc/39/02/28/1350390228.db2.gz VHMQNSSCOACBJC-OMDKTOEGSA-N -1 0 348.355 2.443 20 5 EEBDRM O=C([O-])CC[C@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC001601976039 1350409028 /nfs/dbraw/zinc/40/90/28/1350409028.db2.gz CYMFXWHPDZVFGG-CYBMUJFWSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([O-])Cc1cccc(OC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC001602141814 1350449138 /nfs/dbraw/zinc/44/91/38/1350449138.db2.gz SVFAHZRAIURCSK-ZDUSSCGKSA-N -1 0 347.323 2.041 20 5 EEBDRM O=C([O-])Cc1sccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001602157455 1350454255 /nfs/dbraw/zinc/45/42/55/1350454255.db2.gz KVYAHRHSDNSNBW-UHFFFAOYSA-N -1 0 349.368 2.125 20 5 EEBDRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001602209994 1350466856 /nfs/dbraw/zinc/46/68/56/1350466856.db2.gz QOONAIURXYGROL-GRYCIOLGSA-N -1 0 340.282 2.019 20 5 EEBDRM O=C([O-])c1cc(C(=O)Oc2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 ZINC001602251333 1350476985 /nfs/dbraw/zinc/47/69/85/1350476985.db2.gz XZYZNBXPZOCLDN-UHFFFAOYSA-N -1 0 345.263 2.283 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@H]2Cc3cccnc3C2)cc([N+](=O)[O-])c1 ZINC001602278133 1350484272 /nfs/dbraw/zinc/48/42/72/1350484272.db2.gz BJKQFWRNLHILDD-JTQLQIEISA-N -1 0 327.296 2.042 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@H]2CCc3cccnc32)cc([N+](=O)[O-])c1 ZINC001602280721 1350484839 /nfs/dbraw/zinc/48/48/39/1350484839.db2.gz YZZPJXBIOFQOOT-ZDUSSCGKSA-N -1 0 327.296 2.357 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2COC[C@H]2C1 ZINC001602298931 1350488242 /nfs/dbraw/zinc/48/82/42/1350488242.db2.gz JURKIOUOCRJVGT-DTWKUNHWSA-N -1 0 326.736 2.419 20 5 EEBDRM O=C([O-])c1ccc(-c2ccnc(N3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC001602307213 1350489824 /nfs/dbraw/zinc/48/98/24/1350489824.db2.gz XNQHYUBZIZOQSJ-UHFFFAOYSA-N -1 0 329.312 2.192 20 5 EEBDRM O=C([O-])c1ccc(F)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC001602369493 1350505839 /nfs/dbraw/zinc/50/58/39/1350505839.db2.gz JRPKVSRPRVZOKA-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=Cc1ccc(OCC(=O)Nc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001602666910 1350569444 /nfs/dbraw/zinc/56/94/44/1350569444.db2.gz MLLOKUNZJSPYAZ-UHFFFAOYSA-N -1 0 344.279 2.123 20 5 EEBDRM C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001603148402 1350649523 /nfs/dbraw/zinc/64/95/23/1350649523.db2.gz QEJDCTRVIPSCMS-HOSYDEDBSA-N -1 0 338.335 2.407 20 5 EEBDRM C[C@H](C(=O)OCC(=O)C(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001603220551 1350664638 /nfs/dbraw/zinc/66/46/38/1350664638.db2.gz HESFQFHAZCYEMR-QMMMGPOBSA-N -1 0 341.291 2.061 20 5 EEBDRM CC(C)OC(=O)[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)C ZINC001603907513 1350799650 /nfs/dbraw/zinc/79/96/50/1350799650.db2.gz HOMHTJWXFQVJFC-AWEZNQCLSA-N -1 0 338.360 2.359 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001603987792 1350821818 /nfs/dbraw/zinc/82/18/18/1350821818.db2.gz LOQRXYZOJUEMIC-NSHDSACASA-N -1 0 347.327 2.294 20 5 EEBDRM CCSc1ccccc1Cn1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1 ZINC001604484384 1350947931 /nfs/dbraw/zinc/94/79/31/1350947931.db2.gz OXMVPPPKJZFOOQ-UHFFFAOYSA-N -1 0 331.361 2.132 20 5 EEBDRM CCC(CC)C(=O)N1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001605011098 1351053523 /nfs/dbraw/zinc/05/35/23/1351053523.db2.gz FXCNKKPXVDYBPK-UHFFFAOYSA-N -1 0 349.387 2.378 20 5 EEBDRM COc1ccncc1CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001605338271 1351139672 /nfs/dbraw/zinc/13/96/72/1351139672.db2.gz FEQOVUDJUOTCEX-UHFFFAOYSA-N -1 0 341.331 2.099 20 5 EEBDRM CCOC(=O)[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605525064 1351180099 /nfs/dbraw/zinc/18/00/99/1351180099.db2.gz XULHSEYCRSRFNA-CQSZACIVSA-N -1 0 336.344 2.211 20 5 EEBDRM CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001605899262 1351250354 /nfs/dbraw/zinc/25/03/54/1351250354.db2.gz SIBPCPTWWMRRTF-LBPRGKRZSA-N -1 0 345.359 2.174 20 5 EEBDRM CO[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@](C)(C(=O)[O-])C1 ZINC001606770764 1351354135 /nfs/dbraw/zinc/35/41/35/1351354135.db2.gz HZCIJLQAUBVBPH-SMDDNHRTSA-N -1 0 328.752 2.312 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@](C)(CCF)C(=O)[O-])c1 ZINC001607410769 1351489948 /nfs/dbraw/zinc/48/99/48/1351489948.db2.gz MZHVEZOSNVYADG-ZDUSSCGKSA-N -1 0 330.337 2.249 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001607445664 1351495659 /nfs/dbraw/zinc/49/56/59/1351495659.db2.gz WEGIBPOSCQADIW-VXGBXAGGSA-N -1 0 336.344 2.075 20 5 EEBDRM Cc1c(CC(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC001607526818 1351510864 /nfs/dbraw/zinc/51/08/64/1351510864.db2.gz QLBBUOVRBMXNFN-MRXNPFEDSA-N -1 0 344.323 2.093 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001607534360 1351511918 /nfs/dbraw/zinc/51/19/18/1351511918.db2.gz KPCJSKPWFJGCEV-KLBPJQLPSA-N -1 0 336.319 2.271 20 5 EEBDRM Cc1c(NC(=O)c2cn(C(C)(C)C)nn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607550616 1351514543 /nfs/dbraw/zinc/51/45/43/1351514543.db2.gz VKUCMOQDYLERNK-UHFFFAOYSA-N -1 0 347.331 2.200 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N2C3CCC2(C(=O)[O-])CC3)cc1[N+](=O)[O-] ZINC001607555197 1351515008 /nfs/dbraw/zinc/51/50/08/1351515008.db2.gz OPARKJYPEKECEU-UHFFFAOYSA-N -1 0 349.299 2.033 20 5 EEBDRM Cc1cc(N2CCO[C@H](COC(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607668726 1351536356 /nfs/dbraw/zinc/53/63/56/1351536356.db2.gz FYVQUMCSMMMHGJ-ZDUSSCGKSA-N -1 0 338.360 2.232 20 5 EEBDRM Cc1cc(OCC(=O)N(CCC(=O)[O-])CC(C)C)ccc1[N+](=O)[O-] ZINC001607701017 1351542432 /nfs/dbraw/zinc/54/24/32/1351542432.db2.gz WSWKOBDSQSOWPN-UHFFFAOYSA-N -1 0 338.360 2.241 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001607824630 1351566027 /nfs/dbraw/zinc/56/60/27/1351566027.db2.gz CAENHIHNDWOQMX-MRVPVSSYSA-N -1 0 334.250 2.347 20 5 EEBDRM Cc1cccc(C(=O)C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001607838905 1351568948 /nfs/dbraw/zinc/56/89/48/1351568948.db2.gz XYDVNKGRAVDKGS-UHFFFAOYSA-N -1 0 329.264 2.390 20 5 EEBDRM Cc1nc(COC(=O)Cc2ccc([N+](=O)[O-])cc2)sc1C(=O)[O-] ZINC001607958986 1351593047 /nfs/dbraw/zinc/59/30/47/1351593047.db2.gz WRQMUMHTVPYBKJ-UHFFFAOYSA-N -1 0 336.325 2.344 20 5 EEBDRM Cc1ncc(CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)o1 ZINC001607979955 1351597197 /nfs/dbraw/zinc/59/71/97/1351597197.db2.gz HOOSARVCMXYSSZ-UHFFFAOYSA-N -1 0 334.288 2.220 20 5 EEBDRM Cn1cc([C@]2(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CCCO2)cn1 ZINC001608107021 1351626473 /nfs/dbraw/zinc/62/64/73/1351626473.db2.gz JKXPVNHKIFZRBN-MRXNPFEDSA-N -1 0 346.343 2.144 20 5 EEBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1C[C@@H]2C[C@@H]2C1 ZINC000862559069 1369539001 /nfs/dbraw/zinc/53/90/01/1369539001.db2.gz PVQDBPNIIZYYSM-DTORHVGOSA-N -1 0 348.746 2.231 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@H]1C(F)(F)F ZINC000912079170 787965212 /nfs/dbraw/zinc/96/52/12/787965212.db2.gz KXZKWDSNRSYEPA-JTQLQIEISA-N -1 0 340.641 2.315 20 5 EEBDRM CC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(OC)OC ZINC000844137301 788873650 /nfs/dbraw/zinc/87/36/50/788873650.db2.gz ONMLJZCPNHAANL-VIFPVBQESA-N -1 0 332.740 2.081 20 5 EEBDRM O=C(CC1CCCC1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151446014 788954867 /nfs/dbraw/zinc/95/48/67/788954867.db2.gz ZAYWHZFDYRLWCZ-UHFFFAOYSA-N -1 0 340.401 2.164 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000176556672 795297811 /nfs/dbraw/zinc/29/78/11/795297811.db2.gz PMLIPKAEPLHVST-ZETCQYMHSA-N -1 0 332.765 2.099 20 5 EEBDRM COc1ccccc1[C@@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000915213932 795730933 /nfs/dbraw/zinc/73/09/33/795730933.db2.gz YOXKTTWCHWEKBG-AWEZNQCLSA-N -1 0 332.312 2.447 20 5 EEBDRM COc1ccc2nccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2n1 ZINC001176673444 798523632 /nfs/dbraw/zinc/52/36/32/798523632.db2.gz YVHXXSVCRCFEGK-UHFFFAOYSA-N -1 0 340.295 2.410 20 5 EEBDRM CC(C)(C)n1nccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000786185761 806708512 /nfs/dbraw/zinc/70/85/12/806708512.db2.gz NOYAOPNENPBXQC-UHFFFAOYSA-N -1 0 342.352 2.486 20 5 EEBDRM Cc1c(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cccc1[N+](=O)[O-] ZINC000791016412 809033170 /nfs/dbraw/zinc/03/31/70/809033170.db2.gz OVTJXTLTVZZUQG-UHFFFAOYSA-N -1 0 331.284 2.447 20 5 EEBDRM Cc1coc(C)c1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000793189711 810182812 /nfs/dbraw/zinc/18/28/12/810182812.db2.gz LBEACTKJGHYRQD-UHFFFAOYSA-N -1 0 342.304 2.062 20 5 EEBDRM O=C([O-])CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001602023366 971123599 /nfs/dbraw/zinc/12/35/99/971123599.db2.gz JYMMJUWLNGXXKY-UHFFFAOYSA-N -1 0 344.323 2.378 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001589302886 953701919 /nfs/dbraw/zinc/70/19/19/953701919.db2.gz LOQILAFLLQWYNC-ZJUUUORDSA-N -1 0 331.328 2.401 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001589304000 953720586 /nfs/dbraw/zinc/72/05/86/953720586.db2.gz KQJVZHNYCBVXNK-RKDXNWHRSA-N -1 0 325.296 2.451 20 5 EEBDRM C[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C(=O)[O-] ZINC001589325134 953896720 /nfs/dbraw/zinc/89/67/20/953896720.db2.gz IIZWQZNBRPRVKR-MGPLVRAMSA-N -1 0 345.355 2.330 20 5 EEBDRM O=C([O-])C1(CCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)CCC1 ZINC001594879591 954409983 /nfs/dbraw/zinc/40/99/83/954409983.db2.gz LGHSVGGMICVHBU-UHFFFAOYSA-N -1 0 333.300 2.057 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594665459 956570105 /nfs/dbraw/zinc/57/01/05/956570105.db2.gz DHJATYZVWFPZRE-DGCLKSJQSA-N -1 0 341.323 2.220 20 5 EEBDRM Nc1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001594665859 956574259 /nfs/dbraw/zinc/57/42/59/956574259.db2.gz SEDGKWBEGAMCBL-SNVBAGLBSA-N -1 0 336.348 2.286 20 5 EEBDRM Cc1cc(C(=O)NCc2ccccc2C(=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC001594281206 957745783 /nfs/dbraw/zinc/74/57/83/957745783.db2.gz ZOFPSPRWFFXLGS-UHFFFAOYSA-N -1 0 329.312 2.114 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000852911817 969291987 /nfs/dbraw/zinc/29/19/87/969291987.db2.gz FLBOBIPXTFDNBW-KOLCDFICSA-N -1 0 333.344 2.169 20 5 EEBDRM C[C@H](C(=O)[O-])c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC001609718537 970498915 /nfs/dbraw/zinc/49/89/15/970498915.db2.gz VWRILUOGJZMXHH-QMMMGPOBSA-N -1 0 329.272 2.019 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001605654831 974040300 /nfs/dbraw/zinc/04/03/00/974040300.db2.gz SLLGQPUVXOTSBU-GFCCVEGCSA-N -1 0 341.323 2.001 20 5 EEBDRM CC(C)c1ccc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001591941890 976464248 /nfs/dbraw/zinc/46/42/48/976464248.db2.gz IICHFAZJAJGEKZ-HZMBPMFUSA-N -1 0 336.344 2.032 20 5 EEBDRM C[C@@](CCF)(NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001592496663 978296085 /nfs/dbraw/zinc/29/60/85/978296085.db2.gz XBJMWBAUBJWSAH-AWEZNQCLSA-N -1 0 346.742 2.500 20 5 EEBDRM C[C@@H](CN1CCCC1=O)Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001592617507 978588967 /nfs/dbraw/zinc/58/89/67/978588967.db2.gz VYUDNDKCKMKXIG-QMMMGPOBSA-N -1 0 341.751 2.369 20 5 EEBDRM C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001592730602 979250659 /nfs/dbraw/zinc/25/06/59/979250659.db2.gz XWRAXOZDRJSTJL-MRVPVSSYSA-N -1 0 340.336 2.013 20 5 EEBDRM O=C([O-])C[C@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCOC1 ZINC000864142160 979746969 /nfs/dbraw/zinc/74/69/69/979746969.db2.gz WGBNCSDHRSHANL-QGZVFWFLSA-N -1 0 344.323 2.112 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001594908538 982399203 /nfs/dbraw/zinc/39/92/03/982399203.db2.gz HNCQFMUHJSJXCZ-UHLUBPPHSA-N -1 0 330.287 2.031 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001594908536 982399766 /nfs/dbraw/zinc/39/97/66/982399766.db2.gz HNCQFMUHJSJXCZ-CPFSXVBKSA-N -1 0 330.287 2.031 20 5 EEBDRM CCCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H](C)C(=O)[O-] ZINC001595830310 982717577 /nfs/dbraw/zinc/71/75/77/982717577.db2.gz NSMMNDFKWXFYIS-LLVKDONJSA-N -1 0 346.343 2.106 20 5 EEBDRM C[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1C(=O)[O-] ZINC001599937157 985410069 /nfs/dbraw/zinc/41/00/69/985410069.db2.gz JSQFLWNACGTYFM-ZUZCIYMTSA-N -1 0 341.323 2.282 20 5 EEBDRM CCC(=O)c1ccc(N2CCC[C@@]2(COC)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001594716755 987190180 /nfs/dbraw/zinc/19/01/80/987190180.db2.gz CYDXOKMUZITZGJ-MRXNPFEDSA-N -1 0 336.344 2.258 20 5 EEBDRM C[C@@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001599841168 988833869 /nfs/dbraw/zinc/83/38/69/988833869.db2.gz ONWMQAYGESOJQK-GFCCVEGCSA-N -1 0 349.387 2.149 20 5 EEBDRM CC(C)(C)c1noc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n1 ZINC001590583016 990227292 /nfs/dbraw/zinc/22/72/92/990227292.db2.gz AKVXTTUYKUWNKQ-INIZCTEOSA-N -1 0 348.359 2.365 20 5 EEBDRM CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(C)(C)CC(=O)[O-] ZINC001598077577 990383522 /nfs/dbraw/zinc/38/35/22/990383522.db2.gz LORJPZKKIGIUGU-UHFFFAOYSA-N -1 0 329.740 2.156 20 5 EEBDRM COc1ccccc1[C@H](O)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599700822 991215349 /nfs/dbraw/zinc/21/53/49/991215349.db2.gz CBFWYDBXKCCLQT-CQSZACIVSA-N -1 0 332.312 2.447 20 5 EEBDRM C[S@@](=O)Cc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599776172 992305212 /nfs/dbraw/zinc/30/52/12/992305212.db2.gz AQXYOXNYUVSCGV-XMMPIXPASA-N -1 0 349.368 2.179 20 5 EEBDRM C[S@](=O)Cc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599776171 992305410 /nfs/dbraw/zinc/30/54/10/992305410.db2.gz AQXYOXNYUVSCGV-DEOSSOPVSA-N -1 0 349.368 2.179 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NCC2CC=CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171355 994030733 /nfs/dbraw/zinc/03/07/33/994030733.db2.gz SVTDRJZXOKEDBJ-SNVBAGLBSA-N -1 0 333.344 2.176 20 5 EEBDRM COC(=O)N(C)CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598877883 996776097 /nfs/dbraw/zinc/77/60/97/996776097.db2.gz YZFLFAAJDLIROC-UHFFFAOYSA-N -1 0 331.712 2.057 20 5 EEBDRM CON(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H](C)CC(=O)[O-] ZINC001599313990 997466415 /nfs/dbraw/zinc/46/64/15/997466415.db2.gz ZVLMERUHOMDASJ-IUCAKERBSA-N -1 0 328.296 2.091 20 5 EEBDRM COc1cc([N+](=O)[O-])cnc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599462935 998305399 /nfs/dbraw/zinc/30/53/99/998305399.db2.gz OWRUNWGQPVXSEA-UHFFFAOYSA-N -1 0 337.332 2.362 20 5 EEBDRM C[C@H]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594359514 999358900 /nfs/dbraw/zinc/35/89/00/999358900.db2.gz INRZHWZGFTYLSS-VHSXEESVSA-N -1 0 342.373 2.008 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H]2COc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000364830554 295989383 /nfs/dbraw/zinc/98/93/83/295989383.db2.gz NMBVKNVFGFHLAB-CYBMUJFWSA-N -1 0 342.307 2.027 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)cc1[N+](=O)[O-] ZINC000446964604 242233949 /nfs/dbraw/zinc/23/39/49/242233949.db2.gz BERFZVDVYRTHAH-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM CC(C)c1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263540598 245443733 /nfs/dbraw/zinc/44/37/33/245443733.db2.gz QQPYFLNQPZSBQQ-LBPRGKRZSA-N -1 0 336.344 2.034 20 5 EEBDRM Cc1nnc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000083955913 217564946 /nfs/dbraw/zinc/56/49/46/217564946.db2.gz JAAWHJOLDWNTIW-UHFFFAOYSA-N -1 0 328.375 2.172 20 5 EEBDRM O=C(NC1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1)C1CC1 ZINC000356566295 141018058 /nfs/dbraw/zinc/01/80/58/141018058.db2.gz NGRKRRJQFITBGP-UHFFFAOYSA-N -1 0 347.371 2.324 20 5 EEBDRM Cc1ccnc([C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C2CC2)n1 ZINC000119399619 292245088 /nfs/dbraw/zinc/24/50/88/292245088.db2.gz HADBJWJXVOOVLM-AWEZNQCLSA-N -1 0 328.328 2.280 20 5 EEBDRM CCCC(O)(CCC)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000120244771 292252419 /nfs/dbraw/zinc/25/24/19/292252419.db2.gz AYKRNXIPQVJXJB-UHFFFAOYSA-N -1 0 348.396 2.344 20 5 EEBDRM C[S@@](=O)Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000127039815 292319336 /nfs/dbraw/zinc/31/93/36/292319336.db2.gz QBRLCQVRGWELOL-QHCPKHFHSA-N -1 0 334.353 2.431 20 5 EEBDRM O=C(NCCN1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130438651 292373544 /nfs/dbraw/zinc/37/35/44/292373544.db2.gz OGGGHMAIPPZWQV-UHFFFAOYSA-N -1 0 347.396 2.150 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000089495394 159182012 /nfs/dbraw/zinc/18/20/12/159182012.db2.gz DSTPTPZIDABNGE-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187882095 160110946 /nfs/dbraw/zinc/11/09/46/160110946.db2.gz RFHFNBSKXLRMIJ-LBPRGKRZSA-N -1 0 345.359 2.280 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s[n-]1 ZINC000338924073 160812189 /nfs/dbraw/zinc/81/21/89/160812189.db2.gz GJDYMJPXXQAPTO-LURJTMIESA-N -1 0 342.764 2.481 20 5 EEBDRM O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000123711680 222320821 /nfs/dbraw/zinc/32/08/21/222320821.db2.gz PODPNYIXVVRZDW-UHFFFAOYSA-N -1 0 343.343 2.034 20 5 EEBDRM O=C(Nc1cnn(Cc2ccncc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181950351 274010062 /nfs/dbraw/zinc/01/00/62/274010062.db2.gz DALPKACXRHFLPO-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCc2ccccc2[C@@H]1CO ZINC000185708955 274022154 /nfs/dbraw/zinc/02/21/54/274022154.db2.gz DDPBRYUDAHNNMG-HNNXBMFYSA-N -1 0 328.324 2.032 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000272507720 274174155 /nfs/dbraw/zinc/17/41/55/274174155.db2.gz WLOIYIAEIXBBOL-UHFFFAOYSA-N -1 0 342.402 2.024 20 5 EEBDRM Cc1ccc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000277330831 274283570 /nfs/dbraw/zinc/28/35/70/274283570.db2.gz YIOOOGSCSBZIBT-UHFFFAOYSA-N -1 0 333.266 2.299 20 5 EEBDRM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000285767456 274788985 /nfs/dbraw/zinc/78/89/85/274788985.db2.gz JDLBZEIQDPMSBA-JGVFFNPUSA-N -1 0 328.708 2.092 20 5 EEBDRM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1 ZINC000288687776 275080910 /nfs/dbraw/zinc/08/09/10/275080910.db2.gz VFKZJKHTUVRDTM-NSHDSACASA-N -1 0 338.307 2.355 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H]1n1ccnc1 ZINC000160965267 299960217 /nfs/dbraw/zinc/96/02/17/299960217.db2.gz YVNJDIQSWQFXKO-FZMZJTMJSA-N -1 0 330.344 2.220 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000416445159 313224979 /nfs/dbraw/zinc/22/49/79/313224979.db2.gz KCQJORFIXJCKCA-RISCZKNCSA-N -1 0 335.360 2.025 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000435723854 314920226 /nfs/dbraw/zinc/92/02/26/314920226.db2.gz AIEMZBQQGLMRBO-UHFFFAOYSA-N -1 0 330.753 2.265 20 5 EEBDRM COC(=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000436841780 315004435 /nfs/dbraw/zinc/00/44/35/315004435.db2.gz VEKYCGWOJVWIOH-UHFFFAOYSA-N -1 0 336.344 2.154 20 5 EEBDRM Cc1ccn2cc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)nc2c1 ZINC000436955189 315016011 /nfs/dbraw/zinc/01/60/11/315016011.db2.gz ZYBDAFKVFXBTIH-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436950551 315016167 /nfs/dbraw/zinc/01/61/67/315016167.db2.gz ZTRSGTKRNVBODD-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM O=C(NCCc1c[nH]c2ncccc12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436957925 315016892 /nfs/dbraw/zinc/01/68/92/315016892.db2.gz YFDLQZHFCCDFTF-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM NC(=O)CN(CCC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436966514 315017483 /nfs/dbraw/zinc/01/74/83/315017483.db2.gz VFXQBRFJZSHDDW-UHFFFAOYSA-N -1 0 349.387 2.198 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)Cc2ccc3c(c2)OCO3)n1 ZINC000514733225 316418430 /nfs/dbraw/zinc/41/84/30/316418430.db2.gz QNCRXJIGBVXVFK-UHFFFAOYSA-N -1 0 345.311 2.362 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H]([C@H]3CCOC3)C2)n1 ZINC000519549628 316789574 /nfs/dbraw/zinc/78/95/74/316789574.db2.gz XJFRYEXUEROPEJ-RYUDHWBXSA-N -1 0 335.360 2.249 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CCCCC(=O)[O-] ZINC000548224235 318366208 /nfs/dbraw/zinc/36/62/08/318366208.db2.gz VDTYPXOCEYTADA-SNVBAGLBSA-N -1 0 344.389 2.215 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000556665056 318627767 /nfs/dbraw/zinc/62/77/67/318627767.db2.gz UTWJEKOWEGAQFW-LLVKDONJSA-N -1 0 336.344 2.320 20 5 EEBDRM O=C([O-])c1cc(N2CCN(Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000556729335 318638341 /nfs/dbraw/zinc/63/83/41/318638341.db2.gz GQJZTEXDNFKWHP-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM Cc1noc([C@@H]2CCCN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])C2)n1 ZINC000566294184 319271053 /nfs/dbraw/zinc/27/10/53/319271053.db2.gz ASDVZHYMSXMIRD-SNVBAGLBSA-N -1 0 347.331 2.072 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000567048851 319343268 /nfs/dbraw/zinc/34/32/68/319343268.db2.gz SMLAVNYYBJOHSB-UHFFFAOYSA-N -1 0 338.389 2.254 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)Cc2cn3c(n2)CCCC3)n1 ZINC000567592239 319394806 /nfs/dbraw/zinc/39/48/06/319394806.db2.gz SUWIFUINXFJEJJ-UHFFFAOYSA-N -1 0 345.359 2.166 20 5 EEBDRM O=C([O-])C1(NC(=O)c2ccc([N+](=O)[O-])s2)Cc2ccccc2C1 ZINC000569527451 319584130 /nfs/dbraw/zinc/58/41/30/319584130.db2.gz TXJLDLDGDBWNOE-UHFFFAOYSA-N -1 0 332.337 2.008 20 5 EEBDRM CC[C@H](C)C[C@@H](NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000577006753 320224092 /nfs/dbraw/zinc/22/40/92/320224092.db2.gz LDAVTBWUUCNWEG-GXSJLCMTSA-N -1 0 344.389 2.071 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N(C)CCC2CC2)cc1[N+](=O)[O-] ZINC000580322588 324040696 /nfs/dbraw/zinc/04/06/96/324040696.db2.gz WZILJWVOTSYHDJ-UHFFFAOYSA-N -1 0 342.373 2.022 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000326341115 465036759 /nfs/dbraw/zinc/03/67/59/465036759.db2.gz BLVMNKOYVCIMBT-WRBXRLEASA-N -1 0 330.340 2.320 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000326525901 465039731 /nfs/dbraw/zinc/03/97/31/465039731.db2.gz FXXWCBTVDABTKB-INIZCTEOSA-N -1 0 331.328 2.071 20 5 EEBDRM CCOc1ccc([N-]S(=O)(=O)c2cnn(CC)c2)c([N+](=O)[O-])c1 ZINC000152626690 462558600 /nfs/dbraw/zinc/55/86/00/462558600.db2.gz DADMZIDZSVLCTM-UHFFFAOYSA-N -1 0 340.361 2.011 20 5 EEBDRM COc1ccc(NC(=O)c2cn(CCC(C)C)nn2)c([N+](=O)[O-])c1 ZINC000127582421 462566240 /nfs/dbraw/zinc/56/62/40/462566240.db2.gz BUVPUHCUEIPYEE-UHFFFAOYSA-N -1 0 333.348 2.493 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(CC(F)F)c1 ZINC000116710651 462769464 /nfs/dbraw/zinc/76/94/64/462769464.db2.gz UQBUYLAZMOLDFF-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM CC(C)N(C)C(=O)C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000091951996 462915053 /nfs/dbraw/zinc/91/50/53/462915053.db2.gz RLXQKCRIEJLXBP-UHFFFAOYSA-N -1 0 335.404 2.379 20 5 EEBDRM O=C(/C=C/c1ccco1)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092545876 462961553 /nfs/dbraw/zinc/96/15/53/462961553.db2.gz GEKNZIGJSIRZGV-GQCTYLIASA-N -1 0 345.311 2.052 20 5 EEBDRM COc1ccccc1OCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000018075678 463005486 /nfs/dbraw/zinc/00/54/86/463005486.db2.gz ZJIAJYYERGUXQM-UHFFFAOYSA-N -1 0 332.312 2.118 20 5 EEBDRM CCOCCC1(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000156818553 463071436 /nfs/dbraw/zinc/07/14/36/463071436.db2.gz SSMONOBAUAZESQ-UHFFFAOYSA-N -1 0 346.380 2.219 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(c2ccccc2F)CC1 ZINC000026937883 463177767 /nfs/dbraw/zinc/17/77/67/463177767.db2.gz QIDRQOHNTKPROK-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000135857064 463202178 /nfs/dbraw/zinc/20/21/78/463202178.db2.gz DYHIYOVIMSYZBP-UHFFFAOYSA-N -1 0 343.343 2.034 20 5 EEBDRM CCC[C@@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000136680248 463252602 /nfs/dbraw/zinc/25/26/02/463252602.db2.gz GMKSJPUIQBVAEX-SECBINFHSA-N -1 0 336.377 2.101 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H]1n1ccnc1 ZINC000097097772 463322399 /nfs/dbraw/zinc/32/23/99/463322399.db2.gz FGLHTMZVQMHLOD-RISCZKNCSA-N -1 0 330.344 2.220 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000103059809 463394722 /nfs/dbraw/zinc/39/47/22/463394722.db2.gz STGKXLMAZVKBMN-UHFFFAOYSA-N -1 0 338.320 2.202 20 5 EEBDRM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000032797852 463395225 /nfs/dbraw/zinc/39/52/25/463395225.db2.gz IEUWOPNBDWPUCM-SNVBAGLBSA-N -1 0 334.353 2.440 20 5 EEBDRM CCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000073446463 463613589 /nfs/dbraw/zinc/61/35/89/463613589.db2.gz TXMQSMQZOQRQHG-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000276990724 463833598 /nfs/dbraw/zinc/83/35/98/463833598.db2.gz ZYHUCVMLNBBSLV-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000261926377 463901363 /nfs/dbraw/zinc/90/13/63/463901363.db2.gz ISZOUESWKQTHGH-JTQLQIEISA-N -1 0 338.263 2.136 20 5 EEBDRM CC(C)(C)c1nnc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000194790618 463928647 /nfs/dbraw/zinc/92/86/47/463928647.db2.gz YZBQVSLPPOYRRM-UHFFFAOYSA-N -1 0 340.361 2.217 20 5 EEBDRM CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262149352 463958702 /nfs/dbraw/zinc/95/87/02/463958702.db2.gz OHOIFAIKQVEZPV-QMTHXVAHSA-N -1 0 336.344 2.084 20 5 EEBDRM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1ccccc1 ZINC000210801561 464101628 /nfs/dbraw/zinc/10/16/28/464101628.db2.gz JBVHDYQRLFGOAJ-KHPPLWFESA-N -1 0 332.337 2.113 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(c2cccs2)CC1 ZINC000188054318 464189327 /nfs/dbraw/zinc/18/93/27/464189327.db2.gz TZUGEPFCEPMHKP-UHFFFAOYSA-N -1 0 333.369 2.324 20 5 EEBDRM CC(C)(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-] ZINC000236666723 464217134 /nfs/dbraw/zinc/21/71/34/464217134.db2.gz WEEOUZUBAQHBJU-UHFFFAOYSA-N -1 0 338.363 2.134 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000292434677 464231823 /nfs/dbraw/zinc/23/18/23/464231823.db2.gz DNVLXJYCILZVGP-HUUCEWRRSA-N -1 0 332.356 2.474 20 5 EEBDRM COc1ccsc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1 ZINC000180755988 464387605 /nfs/dbraw/zinc/38/76/05/464387605.db2.gz UIKKQMRVQCMQFA-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1ncon1 ZINC000189617538 464532534 /nfs/dbraw/zinc/53/25/34/464532534.db2.gz QWFAFMFBMDMRLN-LLVKDONJSA-N -1 0 332.316 2.441 20 5 EEBDRM CN([C@@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281741538 464567518 /nfs/dbraw/zinc/56/75/18/464567518.db2.gz FBTZZOJLLHADLH-NSHDSACASA-N -1 0 344.389 2.105 20 5 EEBDRM COC(=O)C1(N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000272449982 464613963 /nfs/dbraw/zinc/61/39/63/464613963.db2.gz VYUYLOUPTRIUCD-UHFFFAOYSA-N -1 0 336.344 2.248 20 5 EEBDRM CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272500008 464634150 /nfs/dbraw/zinc/63/41/50/464634150.db2.gz DOPNEKGUQKPQEW-CYBMUJFWSA-N -1 0 336.344 2.247 20 5 EEBDRM Cc1cnn([C@@H]2CCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)c1 ZINC000272575169 464665822 /nfs/dbraw/zinc/66/58/22/464665822.db2.gz SNXIHZDXJWLGLR-CYBMUJFWSA-N -1 0 330.344 2.283 20 5 EEBDRM COC(=O)[C@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C[C@H]1CCCC2 ZINC000286147229 464819630 /nfs/dbraw/zinc/81/96/30/464819630.db2.gz IAEIOPXAKMVCOU-PIGZYNQJSA-N -1 0 348.355 2.106 20 5 EEBDRM CCOC(=O)[C@@H](CC)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000276171282 464833511 /nfs/dbraw/zinc/83/35/11/464833511.db2.gz FVZJHTGWQOAMDY-CYBMUJFWSA-N -1 0 336.344 2.247 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[n-]1 ZINC000352159062 465484304 /nfs/dbraw/zinc/48/43/04/465484304.db2.gz RJFJJEMRRATCMQ-UHFFFAOYSA-N -1 0 348.315 2.064 20 5 EEBDRM COc1c(C)cccc1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593947458 468441688 /nfs/dbraw/zinc/44/16/88/468441688.db2.gz RTKGRXRGWGJTNI-UHFFFAOYSA-N -1 0 331.328 2.926 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)c2c(Cl)cccc2[N+](=O)[O-])s[n-]1 ZINC000338024494 465757128 /nfs/dbraw/zinc/75/71/28/465757128.db2.gz OBSCJKBVDCRVRF-LURJTMIESA-N -1 0 342.764 2.481 20 5 EEBDRM COc1ccc2c(c1)OC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C2 ZINC000357576699 466146868 /nfs/dbraw/zinc/14/68/68/466146868.db2.gz CRSHAAMUOZSWFP-GFCCVEGCSA-N -1 0 344.323 2.043 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000353891091 466236466 /nfs/dbraw/zinc/23/64/66/466236466.db2.gz FWZRDZQTFYUVQS-UHFFFAOYSA-N -1 0 328.687 2.237 20 5 EEBDRM Cn1cc([C@H]2CCCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000331995515 466337979 /nfs/dbraw/zinc/33/79/79/466337979.db2.gz ZZFHAMHHZDOHCX-OAHLLOKOSA-N -1 0 330.344 2.401 20 5 EEBDRM NC(=O)Nc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC000350404008 466482610 /nfs/dbraw/zinc/48/26/10/466482610.db2.gz QRTQTHCMVMQMOX-UHFFFAOYSA-N -1 0 334.263 2.182 20 5 EEBDRM CCC(CC)(CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000321618575 466623953 /nfs/dbraw/zinc/62/39/53/466623953.db2.gz URJQCZDNVAPRLG-UHFFFAOYSA-N -1 0 344.389 2.301 20 5 EEBDRM O=C([O-])c1cccc(F)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000322403079 466632024 /nfs/dbraw/zinc/63/20/24/466632024.db2.gz VTKVZFMGEGOKEG-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000433831213 467356669 /nfs/dbraw/zinc/35/66/69/467356669.db2.gz CCYYPETVWFXLRC-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436751914 467553168 /nfs/dbraw/zinc/55/31/68/467553168.db2.gz OMZRRHDMNAFOCR-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM CN(C)c1nc2cc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000436796082 467554533 /nfs/dbraw/zinc/55/45/33/467554533.db2.gz TVXZUZDVBZYYEZ-UHFFFAOYSA-N -1 0 341.327 2.495 20 5 EEBDRM CN(C)c1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])ccc2[nH]1 ZINC000436796720 467554673 /nfs/dbraw/zinc/55/46/73/467554673.db2.gz XFHATAKZETUGLR-UHFFFAOYSA-N -1 0 341.327 2.495 20 5 EEBDRM Cc1nn(CCC(=O)Nc2ccc(F)c(F)c2[O-])c(C)c1[N+](=O)[O-] ZINC000457301165 467797317 /nfs/dbraw/zinc/79/73/17/467797317.db2.gz VWJLRCDXMXJBRQ-UHFFFAOYSA-N -1 0 340.286 2.421 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)OC(C)(C)C ZINC000458389838 467821817 /nfs/dbraw/zinc/82/18/17/467821817.db2.gz MGQXGOXUKGSHAC-JTQLQIEISA-N -1 0 338.360 2.350 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]([C@@H](CO)C2CC2)C2CC2)n1 ZINC000515302423 467984263 /nfs/dbraw/zinc/98/42/63/467984263.db2.gz SMKXKHDNAABZLC-QWHCGFSZSA-N -1 0 335.360 2.205 20 5 EEBDRM CN(CC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000548876542 468151989 /nfs/dbraw/zinc/15/19/89/468151989.db2.gz KGPDKEMBKPRUMG-LBPRGKRZSA-N -1 0 337.376 2.278 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000567984991 468249702 /nfs/dbraw/zinc/24/97/02/468249702.db2.gz GOARRFKTSPDPOC-JTQLQIEISA-N -1 0 333.369 2.397 20 5 EEBDRM C[C@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])Cc2ccccc2O1 ZINC000567985433 468249727 /nfs/dbraw/zinc/24/97/27/468249727.db2.gz XLHHFESCFUUTFI-JTQLQIEISA-N -1 0 329.312 2.476 20 5 EEBDRM Cn1nccc1[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000567985497 468251091 /nfs/dbraw/zinc/25/10/91/468251091.db2.gz ZTPIMZSUDFEWAS-XHDPSFHLSA-N -1 0 346.343 2.359 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1noc(C(F)F)n1 ZINC000591784393 468521198 /nfs/dbraw/zinc/52/11/98/468521198.db2.gz SHJGXJOWKAHSHV-RXMQYKEDSA-N -1 0 328.231 2.112 20 5 EEBDRM C[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000582604101 468564847 /nfs/dbraw/zinc/56/48/47/468564847.db2.gz MTYDCFABJWSGNC-LLVKDONJSA-N -1 0 344.389 2.220 20 5 EEBDRM CC(C)[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000594467475 468596935 /nfs/dbraw/zinc/59/69/35/468596935.db2.gz KZPXXKOIQAZPNN-CQSZACIVSA-N -1 0 337.376 2.260 20 5 EEBDRM CS(=O)(=O)C1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000570216554 468605124 /nfs/dbraw/zinc/60/51/24/468605124.db2.gz SLBJKSIZFJCCAW-UHFFFAOYSA-N -1 0 342.373 2.061 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(C(=O)[O-])s3)CC2)n1 ZINC000570336315 468624734 /nfs/dbraw/zinc/62/47/34/468624734.db2.gz XASKAFBQMXEPRD-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)n1 ZINC000583027386 468632165 /nfs/dbraw/zinc/63/21/65/468632165.db2.gz MMIVXMLHEHHKJE-OASPWFOLSA-N -1 0 333.344 2.366 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C)nc1C ZINC000559942211 468759995 /nfs/dbraw/zinc/75/99/95/468759995.db2.gz NLVQGPLCKKBMOZ-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCO[C@@H](c3ccco3)C2)n1 ZINC000592977048 468832444 /nfs/dbraw/zinc/83/24/44/468832444.db2.gz YZPKKXBEUJFYMP-GFCCVEGCSA-N -1 0 333.300 2.167 20 5 EEBDRM O=C([O-])C1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCC1 ZINC000610853126 469090561 /nfs/dbraw/zinc/09/05/61/469090561.db2.gz GGXQYFMWAWXCLI-UHFFFAOYSA-N -1 0 345.355 2.311 20 5 EEBDRM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000573377557 469119027 /nfs/dbraw/zinc/11/90/27/469119027.db2.gz QZUFOXPNJMMWNW-NXEZZACHSA-N -1 0 342.373 2.150 20 5 EEBDRM Cc1cc(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000593755585 469125978 /nfs/dbraw/zinc/12/59/78/469125978.db2.gz PTQALLYJSYMWSK-QMTHXVAHSA-N -1 0 331.328 2.130 20 5 EEBDRM O=C([O-])[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000602066983 469171047 /nfs/dbraw/zinc/17/10/47/469171047.db2.gz OCTKDLVIEWRUIM-VIFPVBQESA-N -1 0 330.287 2.493 20 5 EEBDRM CCOC(=O)CCN(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611289644 469220378 /nfs/dbraw/zinc/22/03/78/469220378.db2.gz AXEOZLLDPRBQON-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000611463624 469254718 /nfs/dbraw/zinc/25/47/18/469254718.db2.gz ZKRIOAHPDTWVRR-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM CC(C)(C)c1nc(=NC(=O)NCc2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000609712146 469957318 /nfs/dbraw/zinc/95/73/18/469957318.db2.gz HHDVDSAGQCOWNB-UHFFFAOYSA-N -1 0 335.389 2.487 20 5 EEBDRM CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc(C)cs1 ZINC000610262939 469996370 /nfs/dbraw/zinc/99/63/70/469996370.db2.gz IKVXXFFWGJLPTE-SECBINFHSA-N -1 0 342.402 2.184 20 5 EEBDRM C[C@H](CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nnn[n-]1 ZINC000187271626 534014711 /nfs/dbraw/zinc/01/47/11/534014711.db2.gz AHHWTXRPQMHJCE-MRVPVSSYSA-N -1 0 346.372 2.198 20 5 EEBDRM CCCOc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000160298971 528684591 /nfs/dbraw/zinc/68/45/91/528684591.db2.gz ZWLRLJMDOGBTTG-UHFFFAOYSA-N -1 0 331.328 2.414 20 5 EEBDRM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(C(=O)[O-])[nH]1 ZINC000738448155 578015654 /nfs/dbraw/zinc/01/56/54/578015654.db2.gz AOAARAJLCCATTR-UHFFFAOYSA-N -1 0 348.271 2.398 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC000738481624 578016775 /nfs/dbraw/zinc/01/67/75/578016775.db2.gz JVCCHAOKCOLKHX-UHFFFAOYSA-N -1 0 335.341 2.263 20 5 EEBDRM COC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000737676083 576222229 /nfs/dbraw/zinc/22/22/29/576222229.db2.gz AKXZRFYKDDAYJV-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)(C)C ZINC000734709705 577322439 /nfs/dbraw/zinc/32/24/39/577322439.db2.gz WOXJOPKPYSUIEH-SNVBAGLBSA-N -1 0 328.390 2.390 20 5 EEBDRM CCc1ccc(CS(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000774554940 577403746 /nfs/dbraw/zinc/40/37/46/577403746.db2.gz DEZIZXXJHDBQQO-UHFFFAOYSA-N -1 0 348.380 2.417 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000776522301 577461361 /nfs/dbraw/zinc/46/13/61/577461361.db2.gz JFHJZRPWWFZLER-GXSJLCMTSA-N -1 0 326.374 2.144 20 5 EEBDRM O=C(CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)OCc1ccccc1 ZINC000755518315 577826059 /nfs/dbraw/zinc/82/60/59/577826059.db2.gz WIUPHBXAFOVSAB-UHFFFAOYSA-N -1 0 344.323 2.164 20 5 EEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000755528960 577826338 /nfs/dbraw/zinc/82/63/38/577826338.db2.gz AJPGEYVPAQQLGJ-VFZGTOFNSA-N -1 0 334.303 2.291 20 5 EEBDRM CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000755668784 577828838 /nfs/dbraw/zinc/82/88/38/577828838.db2.gz APPHJGVAWWGHGB-JTQLQIEISA-N -1 0 346.380 2.330 20 5 EEBDRM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000744132830 577893265 /nfs/dbraw/zinc/89/32/65/577893265.db2.gz RZHPORAYZNOJNH-BDAKNGLRSA-N -1 0 332.403 2.288 20 5 EEBDRM O=C([O-])[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000739615817 578061053 /nfs/dbraw/zinc/06/10/53/578061053.db2.gz QPGXFEHBYBNOIP-INIZCTEOSA-N -1 0 344.323 2.326 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000739823628 578069140 /nfs/dbraw/zinc/06/91/40/578069140.db2.gz DTXOEADHMUIJFD-UHFFFAOYSA-N -1 0 342.307 2.261 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 ZINC000740089080 578080401 /nfs/dbraw/zinc/08/04/01/578080401.db2.gz QCHHDUJMUNTWHC-UHFFFAOYSA-N -1 0 344.279 2.317 20 5 EEBDRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC000736644902 578216129 /nfs/dbraw/zinc/21/61/29/578216129.db2.gz AEGZSYUQBTYCKI-VIFPVBQESA-N -1 0 333.300 2.446 20 5 EEBDRM CC[C@H]1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736940032 578229919 /nfs/dbraw/zinc/22/99/19/578229919.db2.gz QCBZGRKGAADANZ-LBPRGKRZSA-N -1 0 349.387 2.426 20 5 EEBDRM CCc1ccc(OCC(=O)N[C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000737268212 578247183 /nfs/dbraw/zinc/24/71/83/578247183.db2.gz WFEGGHBBWBBADY-GFCCVEGCSA-N -1 0 338.360 2.152 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737963442 578274744 /nfs/dbraw/zinc/27/47/44/578274744.db2.gz VJWSQJLPKXXLOM-OAHLLOKOSA-N -1 0 344.323 2.468 20 5 EEBDRM Cc1c(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC000820944987 597354843 /nfs/dbraw/zinc/35/48/43/597354843.db2.gz PUFGRQYLMTUQME-INIZCTEOSA-N -1 0 328.324 2.388 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2noc(CCCC(=O)[O-])n2)c1 ZINC000832957423 600707156 /nfs/dbraw/zinc/70/71/56/600707156.db2.gz GEPUADIYFAOEQH-UHFFFAOYSA-N -1 0 349.299 2.051 20 5 EEBDRM Cc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1C(=O)[O-] ZINC000237587121 601065907 /nfs/dbraw/zinc/06/59/07/601065907.db2.gz QHFDTEDYWWULFJ-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])ccc1F ZINC000013074207 601203300 /nfs/dbraw/zinc/20/33/00/601203300.db2.gz YQPVXFMBBSPDJU-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000833176760 601371165 /nfs/dbraw/zinc/37/11/65/601371165.db2.gz WAIMYSRKZDRKKY-CYBMUJFWSA-N -1 0 341.320 2.328 20 5 EEBDRM Cc1nc(C(=O)[O-])cn1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832996319 601402290 /nfs/dbraw/zinc/40/22/90/601402290.db2.gz QZGGCYLDRTXGOR-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM C/C(=C/COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000825774802 601407163 /nfs/dbraw/zinc/40/71/63/601407163.db2.gz HQYXHUCHPXSGRH-WDZFZDKYSA-N -1 0 334.328 2.383 20 5 EEBDRM C/C(=C/COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC000825775711 601410856 /nfs/dbraw/zinc/41/08/56/601410856.db2.gz YZQJFURNKBSYEE-WDZFZDKYSA-N -1 0 334.328 2.383 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000832921331 601667360 /nfs/dbraw/zinc/66/73/60/601667360.db2.gz PBYVPSHGQCWEGA-MDZLAQPJSA-N -1 0 335.360 2.326 20 5 EEBDRM C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000828360901 601680049 /nfs/dbraw/zinc/68/00/49/601680049.db2.gz DDWPPDZEJHFXGP-KWQFWETISA-N -1 0 341.751 2.110 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263247135 601780351 /nfs/dbraw/zinc/78/03/51/601780351.db2.gz OLIJZTZTRKLPRX-AAEUAGOBSA-N -1 0 335.360 2.470 20 5 EEBDRM CN(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1)C(=O)[O-] ZINC000830835030 602349878 /nfs/dbraw/zinc/34/98/78/602349878.db2.gz ANHPTMIPRWKPRS-UHFFFAOYSA-N -1 0 330.300 2.352 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCOC[C@H]2CCOC2)cc1Cl ZINC000833307017 604266939 /nfs/dbraw/zinc/26/69/39/604266939.db2.gz ITQKSYQQOQTRHZ-VIFPVBQESA-N -1 0 344.751 2.411 20 5 EEBDRM CC(=O)N1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000833393076 605062139 /nfs/dbraw/zinc/06/21/39/605062139.db2.gz GUBFBKIUDXCRHM-OZAOCKQISA-N -1 0 347.371 2.361 20 5 EEBDRM CC(C)(C)OC(=O)[C@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833432153 605188936 /nfs/dbraw/zinc/18/89/36/605188936.db2.gz IYSKSHCYAPVKTQ-NSHDSACASA-N -1 0 336.344 2.461 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000833424412 605505549 /nfs/dbraw/zinc/50/55/49/605505549.db2.gz USNAYVWHKOMBLG-JTQLQIEISA-N -1 0 346.286 2.425 20 5 EEBDRM O=C([O-])[C@H](CC1CC1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262204743 684460915 /nfs/dbraw/zinc/46/09/15/684460915.db2.gz JWLBFZCDJHCNEP-ZDUSSCGKSA-N -1 0 347.371 2.178 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1cc(Cl)ccn1 ZINC000342565344 688256843 /nfs/dbraw/zinc/25/68/43/688256843.db2.gz DJFZLRMROSRKNO-UHFFFAOYSA-N -1 0 345.739 2.261 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000263205834 689487019 /nfs/dbraw/zinc/48/70/19/689487019.db2.gz MYMGMUZIHUUDLX-NSHDSACASA-N -1 0 338.385 2.244 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000263219625 689498899 /nfs/dbraw/zinc/49/88/99/689498899.db2.gz OTZZSYZXGRXBDD-JQWIXIFHSA-N -1 0 347.371 2.034 20 5 EEBDRM COc1cc([C@@H]2Nc3ccc(C)cc3C(=O)N2)cc([N+](=O)[O-])c1[O-] ZINC000877863006 1200141933 /nfs/dbraw/zinc/14/19/33/1200141933.db2.gz CJMGKLQLRJWFGN-OAHLLOKOSA-N -1 0 329.312 2.472 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)C=Cc1cccc(Cl)c1 ZINC000812317470 1200638364 /nfs/dbraw/zinc/63/83/64/1200638364.db2.gz HMIVBINOEGRXKZ-FNORWQNLSA-N -1 0 339.760 2.478 20 5 EEBDRM CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001111262058 1208498488 /nfs/dbraw/zinc/49/84/88/1208498488.db2.gz YOVHDGSDXVFFTL-CLLJXQQHSA-N -1 0 348.403 2.359 20 5 EEBDRM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000800398343 1234103159 /nfs/dbraw/zinc/10/31/59/1234103159.db2.gz IXDSMHQQPIHMLN-VIFPVBQESA-N -1 0 332.353 2.365 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000005579481 1287263784 /nfs/dbraw/zinc/26/37/84/1287263784.db2.gz FEZUKZRNAORDML-UHFFFAOYSA-N -1 0 341.276 2.443 20 5 EEBDRM C[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000853030264 1292259478 /nfs/dbraw/zinc/25/94/78/1292259478.db2.gz UHZAAFWULBWXOV-VFZGTOFNSA-N -1 0 344.314 2.471 20 5 EEBDRM O=[N+]([O-])c1ncc(-c2nc(-c3ccc4c(c3)OCO4)no2)cc1[O-] ZINC001213596181 1296101731 /nfs/dbraw/zinc/10/17/31/1296101731.db2.gz QDIJDHRXXUOFBP-UHFFFAOYSA-N -1 0 328.240 2.141 20 5 EEBDRM CN(C)c1ccccc1-c1noc(-c2cnc([N+](=O)[O-])c([O-])c2)n1 ZINC001213595881 1296102027 /nfs/dbraw/zinc/10/20/27/1296102027.db2.gz AOXQOGJLFJNSHD-UHFFFAOYSA-N -1 0 327.300 2.478 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CCC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001226650139 1301493830 /nfs/dbraw/zinc/49/38/30/1301493830.db2.gz QKIUGLRTZMESMI-XHNCKOQMSA-N -1 0 325.321 2.081 20 5 EEBDRM O=c1nc(O[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])[nH]c(=O)[n-]1 ZINC001227571279 1301894770 /nfs/dbraw/zinc/89/47/70/1301894770.db2.gz RLXQPYCCMIPVBC-ZDUSSCGKSA-N -1 0 340.295 2.359 20 5 EEBDRM CCCCOC[C@@H](C)OC[C@H](C)Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228141065 1302123168 /nfs/dbraw/zinc/12/31/68/1302123168.db2.gz OUURRQFBLCHNDP-MNOVXSKESA-N -1 0 329.353 2.080 20 5 EEBDRM CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780677197 1303684876 /nfs/dbraw/zinc/68/48/76/1303684876.db2.gz IBXHBRZWXDWVBS-UHFFFAOYSA-N -1 0 337.332 2.298 20 5 EEBDRM CCOC(=O)[C@H]1CCC[C@@H]1Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231219601 1303687821 /nfs/dbraw/zinc/68/78/21/1303687821.db2.gz ARVRVSQQSLHLBP-UFBFGSQYSA-N -1 0 340.288 2.319 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC(F)(F)C1 ZINC000796655437 1304566405 /nfs/dbraw/zinc/56/64/05/1304566405.db2.gz RWSRAMHRHRZVKS-VIFPVBQESA-N -1 0 348.327 2.144 20 5 EEBDRM CCn1cc([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1 ZINC000798246898 1304961428 /nfs/dbraw/zinc/96/14/28/1304961428.db2.gz HXQAEXJQZSWNSQ-UHFFFAOYSA-N -1 0 348.743 2.405 20 5 EEBDRM Cc1c(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)cccc1[N+](=O)[O-] ZINC000835749428 1314945921 /nfs/dbraw/zinc/94/59/21/1314945921.db2.gz RNWNTZLFEBVQDR-UHIISALHSA-N -1 0 338.385 2.151 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001601286149 1350249526 /nfs/dbraw/zinc/24/95/26/1350249526.db2.gz ORLVRBLNBZOVEQ-AWEZNQCLSA-N -1 0 344.726 2.206 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)[O-] ZINC001603309151 1350685071 /nfs/dbraw/zinc/68/50/71/1350685071.db2.gz SHCSAADJWPFGKI-ZDUSSCGKSA-N -1 0 346.343 2.214 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001608083819 1351621778 /nfs/dbraw/zinc/62/17/78/1351621778.db2.gz PPABGBINPLHNRB-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001608354331 1351677130 /nfs/dbraw/zinc/67/71/30/1351677130.db2.gz KULGDNBERQFDGL-FTGAXOIBSA-N -1 0 336.369 2.056 20 5 EEBDRM O=C([O-])[C@H]1[C@@H](O)CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001608595440 1351722301 /nfs/dbraw/zinc/72/23/01/1351722301.db2.gz OBTWJCQSQWWLRG-GOEBONIOSA-N -1 0 346.339 2.265 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@H]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC001608625613 1351728762 /nfs/dbraw/zinc/72/87/62/1351728762.db2.gz YCXUVXJSUQFDAT-VHSXEESVSA-N -1 0 332.312 2.082 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC001608836862 1351775185 /nfs/dbraw/zinc/77/51/85/1351775185.db2.gz WKPIKJFORCXYQH-ABAIWWIYSA-N -1 0 348.355 2.228 20 5 EEBDRM O=C([O-])c1ccc(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC001608903408 1351790800 /nfs/dbraw/zinc/79/08/00/1351790800.db2.gz GWFPMJFLUPISAI-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM O=C([O-])c1ccc2c(c1)N(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001608924506 1351795621 /nfs/dbraw/zinc/79/56/21/1351795621.db2.gz IJTDDOUVFQAOKR-INIZCTEOSA-N -1 0 328.324 2.389 20 5 EEBDRM O=C([O-])c1ccccc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC001608947896 1351800884 /nfs/dbraw/zinc/80/08/84/1351800884.db2.gz OXFYRFLHUTWOJY-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM O=C([O-])c1coc(/C=C/C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001608987122 1351808773 /nfs/dbraw/zinc/80/87/73/1351808773.db2.gz DQTHWPJHRPLFRP-SNAWJCMRSA-N -1 0 328.280 2.489 20 5 EEBDRM CC(C)(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001609647816 1352049755 /nfs/dbraw/zinc/04/97/55/1352049755.db2.gz VELFHWQWGXAKSV-VIFPVBQESA-N -1 0 348.277 2.394 20 5 EEBDRM CC(C)(C)C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC001609656199 1352051438 /nfs/dbraw/zinc/05/14/38/1352051438.db2.gz JRTVORCXDFXINL-NSHDSACASA-N -1 0 344.389 2.300 20 5 EEBDRM CC(C)c1nc(Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])nc(N(C)C)n1 ZINC001609721898 1352068953 /nfs/dbraw/zinc/06/89/53/1352068953.db2.gz SLXARWQWSBOEIH-UHFFFAOYSA-N -1 0 347.331 2.460 20 5 EEBDRM CCC(CC)(CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC001609912404 1352117874 /nfs/dbraw/zinc/11/78/74/1352117874.db2.gz KCMCUVHHYLRWNG-UHFFFAOYSA-N -1 0 338.360 2.289 20 5 EEBDRM C[S@@](=O)c1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001610380372 1352213451 /nfs/dbraw/zinc/21/34/51/1352213451.db2.gz ZKUYRHMUUNKZSZ-HSZRJFAPSA-N -1 0 335.341 2.038 20 5 EEBDRM Cc1cc(C(=O)NCCc2cccc(C(=O)[O-])c2)c(N)c([N+](=O)[O-])c1 ZINC001610436480 1352222210 /nfs/dbraw/zinc/22/22/10/1352222210.db2.gz PQVLBYXIMQQDIQ-UHFFFAOYSA-N -1 0 343.339 2.156 20 5 EEBDRM NC(=O)C[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001610636865 1352256276 /nfs/dbraw/zinc/25/62/76/1352256276.db2.gz KOTGHEOOEBHEKD-MRVPVSSYSA-N -1 0 341.751 2.038 20 5 EEBDRM O=[N+]([O-])c1cn([C@H]2CCc3c2cccc3Cl)nc1-c1nnn[n-]1 ZINC001593486692 1349815109 /nfs/dbraw/zinc/81/51/09/1349815109.db2.gz HOBVHNTVAYDUGP-JTQLQIEISA-N -1 0 331.723 2.160 20 5 EEBDRM Cc1c(NC(=O)N[C@H](C)c2cn[nH]c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600040060 1349960180 /nfs/dbraw/zinc/96/01/80/1349960180.db2.gz OEAJVSWPWGPQGW-MRVPVSSYSA-N -1 0 333.304 2.207 20 5 EEBDRM Cc1c(NC(=O)c2ccn(C(F)F)n2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600047749 1349961902 /nfs/dbraw/zinc/96/19/02/1349961902.db2.gz BMABPNUBPFURLC-UHFFFAOYSA-N -1 0 340.242 2.445 20 5 EEBDRM Cc1c(NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cnn1CC(=O)[O-] ZINC001600302143 1350015173 /nfs/dbraw/zinc/01/51/73/1350015173.db2.gz FQWDKMIPMHZQCC-UHFFFAOYSA-N -1 0 347.331 2.445 20 5 EEBDRM Cc1noc(C)c1CN(C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001600809437 1350141469 /nfs/dbraw/zinc/14/14/69/1350141469.db2.gz VOGBCMUYEXAXSW-UHFFFAOYSA-N -1 0 349.343 2.295 20 5 EEBDRM Cn1nc(C2CC2)cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001601012794 1350189656 /nfs/dbraw/zinc/18/96/56/1350189656.db2.gz JIIHRLFJNSNBGO-UHFFFAOYSA-N -1 0 330.300 2.156 20 5 EEBDRM NC(=O)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001601144470 1350219761 /nfs/dbraw/zinc/21/97/61/1350219761.db2.gz HQDLNGGNDOJNSB-HTQZYQBOSA-N -1 0 341.751 2.402 20 5 EEBDRM O=C([O-])c1ccccc1CCOC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001601344637 1350262616 /nfs/dbraw/zinc/26/26/16/1350262616.db2.gz PCVSAXFJUBVOAG-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001601408761 1350277890 /nfs/dbraw/zinc/27/78/90/1350277890.db2.gz KNNGMPFQZRSXBZ-NWDGAFQWSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@]1(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCSC1 ZINC001601431802 1350282783 /nfs/dbraw/zinc/28/27/83/1350282783.db2.gz SPYQQMMHLUXDQP-LBPRGKRZSA-N -1 0 348.739 2.077 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001601498156 1350296357 /nfs/dbraw/zinc/29/63/57/1350296357.db2.gz FOXKOUAICCUOEA-UHFFFAOYSA-N -1 0 331.328 2.374 20 5 EEBDRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC001601663985 1350331793 /nfs/dbraw/zinc/33/17/93/1350331793.db2.gz AQQVWDCTHUMBBR-SOUVJXGZSA-N -1 0 341.323 2.035 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]([C@@H]2CCCO2)C1 ZINC001601826899 1350374341 /nfs/dbraw/zinc/37/43/41/1350374341.db2.gz ABAZZCPXHPEYRB-YUELXQCFSA-N -1 0 348.355 2.079 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C1CC1 ZINC001601892510 1350391302 /nfs/dbraw/zinc/39/13/02/1350391302.db2.gz WZQCKZZHOUVBEY-VIFPVBQESA-N -1 0 325.296 2.356 20 5 EEBDRM O=C([O-])C[C@H]1CSCCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601967961 1350407686 /nfs/dbraw/zinc/40/76/86/1350407686.db2.gz TVYPYRMWUZHQOI-VIFPVBQESA-N -1 0 332.328 2.265 20 5 EEBDRM O=C([O-])COc1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001602087051 1350434167 /nfs/dbraw/zinc/43/41/67/1350434167.db2.gz MAOZUTUXXWVVNS-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C([O-])Cc1cccc(OC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC001602141813 1350449133 /nfs/dbraw/zinc/44/91/33/1350449133.db2.gz SVFAHZRAIURCSK-CYBMUJFWSA-N -1 0 347.323 2.041 20 5 EEBDRM O=C([O-])c1cc(F)ccc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001602277336 1350483986 /nfs/dbraw/zinc/48/39/86/1350483986.db2.gz RPMHADSGMLZCGK-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc(C(=O)COC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001602315925 1350492152 /nfs/dbraw/zinc/49/21/52/1350492152.db2.gz HCKZDCXIPOWHSQ-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM O=C([O-])c1ccc(CN2CCc3ncc([N+](=O)[O-])cc3C2)cc1F ZINC001602339105 1350498397 /nfs/dbraw/zinc/49/83/97/1350498397.db2.gz AQPCFQUCRTZAKG-UHFFFAOYSA-N -1 0 331.303 2.385 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC001602342633 1350499263 /nfs/dbraw/zinc/49/92/63/1350499263.db2.gz OISFKONIOXMPTH-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cccc3c2OCCO3)n1 ZINC001602405731 1350512037 /nfs/dbraw/zinc/51/20/37/1350512037.db2.gz IRZAXGFIRLSHIF-UHFFFAOYSA-N -1 0 331.284 2.071 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC001602443297 1350520898 /nfs/dbraw/zinc/52/08/98/1350520898.db2.gz NUHBDTUPYICJOJ-UHFFFAOYSA-N -1 0 337.238 2.419 20 5 EEBDRM O=C([O-])c1cccc(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)c1 ZINC001602443561 1350520914 /nfs/dbraw/zinc/52/09/14/1350520914.db2.gz QKTXZDHTLVSXPM-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001602619555 1350559159 /nfs/dbraw/zinc/55/91/59/1350559159.db2.gz UZEZZDPVABSDIP-UHFFFAOYSA-N -1 0 326.648 2.291 20 5 EEBDRM O=C([O-])C12CC(C1)CN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001602622898 1350560018 /nfs/dbraw/zinc/56/00/18/1350560018.db2.gz DAXSAHDHWHOKGH-UHFFFAOYSA-N -1 0 344.245 2.303 20 5 EEBDRM CC(C)n1cnnc1CN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001604042874 1350837183 /nfs/dbraw/zinc/83/71/83/1350837183.db2.gz JJTMYQGMVULLKS-UHFFFAOYSA-N -1 0 333.348 2.031 20 5 EEBDRM CCC(C)(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001604896441 1351027318 /nfs/dbraw/zinc/02/73/18/1351027318.db2.gz YEZOTLBNMKOKLH-UHFFFAOYSA-N -1 0 344.389 2.398 20 5 EEBDRM CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C(=O)[O-] ZINC001605395504 1351152837 /nfs/dbraw/zinc/15/28/37/1351152837.db2.gz AMJBGVFYCNPINX-UHFFFAOYSA-N -1 0 333.344 2.330 20 5 EEBDRM CCNc1ccc(C(=O)Nc2ncc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC001605500753 1351173040 /nfs/dbraw/zinc/17/30/40/1351173040.db2.gz CDSZXGPDPBIAQO-UHFFFAOYSA-N -1 0 336.329 2.434 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001607141301 1351437025 /nfs/dbraw/zinc/43/70/25/1351437025.db2.gz UIJFZIHYYHSGBX-UHFFFAOYSA-N -1 0 332.268 2.224 20 5 EEBDRM COc1ccc([C@@H]2CCCN2c2nc(C(=O)[O-])ccc2[N+](=O)[O-])nc1 ZINC001607237682 1351456259 /nfs/dbraw/zinc/45/62/59/1351456259.db2.gz DPUQGROBCXPFGX-ZDUSSCGKSA-N -1 0 344.327 2.433 20 5 EEBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC001607310495 1351470485 /nfs/dbraw/zinc/47/04/85/1351470485.db2.gz FNWCNZAJSILTFA-INIZCTEOSA-N -1 0 348.311 2.316 20 5 EEBDRM Cc1nn(C)c(C)c1[C@H](O)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001607694553 1351541028 /nfs/dbraw/zinc/54/10/28/1351541028.db2.gz XCLLUNWTVBXUGU-CQSZACIVSA-N -1 0 348.359 2.097 20 5 EEBDRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c(C(=O)[O-])c1C ZINC001607805301 1351563204 /nfs/dbraw/zinc/56/32/04/1351563204.db2.gz YCRLMSNUTKASAU-UHFFFAOYSA-N -1 0 330.300 2.139 20 5 EEBDRM Cn1ncnc1CCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001608166543 1351639033 /nfs/dbraw/zinc/63/90/33/1351639033.db2.gz QXXMKXZBEHMPCV-UHFFFAOYSA-N -1 0 339.739 2.120 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC001608350562 1351677041 /nfs/dbraw/zinc/67/70/41/1351677041.db2.gz VNSSCCWVVVXXBF-UHFFFAOYSA-N -1 0 335.243 2.417 20 5 EEBDRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000835243583 1372605012 /nfs/dbraw/zinc/60/50/12/1372605012.db2.gz APHVXAPAZRDKJI-UHFFFAOYSA-N -1 0 342.417 2.450 20 5 EEBDRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000920322403 770675262 /nfs/dbraw/zinc/67/52/62/770675262.db2.gz KNRXUGCCKORYQI-CSKARUKUSA-N -1 0 342.373 2.155 20 5 EEBDRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160864 775449195 /nfs/dbraw/zinc/44/91/95/775449195.db2.gz NSEDEJKQCZTOQW-UHFFFAOYSA-N -1 0 340.382 2.012 20 5 EEBDRM O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000821053108 786577755 /nfs/dbraw/zinc/57/77/55/786577755.db2.gz VLRZCUUCNGIKDE-UHFFFAOYSA-N -1 0 343.251 2.005 20 5 EEBDRM CC(C)[C@]1(CO)CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844218879 788907751 /nfs/dbraw/zinc/90/77/51/788907751.db2.gz SFPCISVKHBVMMS-QGZVFWFLSA-N -1 0 336.388 2.457 20 5 EEBDRM CN(C[C@](C)(O)c1ccccc1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844209737 788928661 /nfs/dbraw/zinc/92/86/61/788928661.db2.gz MRCAGFVDDLWUKT-INIZCTEOSA-N -1 0 331.328 2.032 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@@H]2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000844212145 788930134 /nfs/dbraw/zinc/93/01/34/788930134.db2.gz BZOSWFONHUHBLQ-IKSMSDDNSA-N -1 0 348.355 2.443 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000844214584 788933564 /nfs/dbraw/zinc/93/35/64/788933564.db2.gz IDRUKTPVBNFNGH-KBPBESRZSA-N -1 0 334.372 2.475 20 5 EEBDRM O=C(NC[C@@]1(O)CCCc2ccccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000130487417 798020684 /nfs/dbraw/zinc/02/06/84/798020684.db2.gz HRIZQJBKTUYJFR-SFHVURJKSA-N -1 0 342.351 2.254 20 5 EEBDRM CC[C@](NC(=O)c1cc([N+](=O)[O-])cn1C)(C(=O)[O-])c1ccccc1 ZINC000584831018 939800055 /nfs/dbraw/zinc/80/00/55/939800055.db2.gz FMAOKJLMGCBVAK-MRXNPFEDSA-N -1 0 331.328 2.053 20 5 EEBDRM O=C([O-])c1cnc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC001602509400 971218564 /nfs/dbraw/zinc/21/85/64/971218564.db2.gz ISJCJJFJBBNFPZ-UHFFFAOYSA-N -1 0 337.675 2.093 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001595270657 949822598 /nfs/dbraw/zinc/82/25/98/949822598.db2.gz HEUNQQRCAPYZCY-KGLIPLIRSA-N -1 0 327.296 2.430 20 5 EEBDRM CCOc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001592343240 951322319 /nfs/dbraw/zinc/32/23/19/951322319.db2.gz JAHDXDDIADWGIO-ZYHUDNBSSA-N -1 0 336.344 2.461 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001602936435 971902941 /nfs/dbraw/zinc/90/29/41/971902941.db2.gz LPZZZQNBBQMHAW-UHFFFAOYSA-N -1 0 346.343 2.358 20 5 EEBDRM O=C([O-])c1c[nH]nc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001594817250 953875202 /nfs/dbraw/zinc/87/52/02/953875202.db2.gz UYLBZFUGZCOGGP-UHFFFAOYSA-N -1 0 332.297 2.483 20 5 EEBDRM O=C([O-])C1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001594919840 954799031 /nfs/dbraw/zinc/79/90/31/954799031.db2.gz AMKAFHCBWUPRPW-UHFFFAOYSA-N -1 0 326.736 2.114 20 5 EEBDRM Cc1ccc(NC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000797733763 955348947 /nfs/dbraw/zinc/34/89/47/955348947.db2.gz JPVZJNJRSUQJSQ-CYBMUJFWSA-N -1 0 344.327 2.116 20 5 EEBDRM Cn1c2ccccc2c(N(CC(=O)[O-])CC(C)(C)C)c([N+](=O)[O-])c1=O ZINC001594517195 955418810 /nfs/dbraw/zinc/41/88/10/955418810.db2.gz GDDFQUZLSUMWCG-UHFFFAOYSA-N -1 0 347.371 2.384 20 5 EEBDRM Nc1c(Cl)cc(-c2nc(C3(C(=O)[O-])CCC3)no2)cc1[N+](=O)[O-] ZINC001594663206 956550011 /nfs/dbraw/zinc/55/00/11/956550011.db2.gz RDZFKVUNRQAFAU-UHFFFAOYSA-N -1 0 338.707 2.387 20 5 EEBDRM C[C@@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001594200663 959248085 /nfs/dbraw/zinc/24/80/85/959248085.db2.gz GZPYCCCMHPFPJB-IJLUTSLNSA-N -1 0 336.344 2.042 20 5 EEBDRM C[C@H](CNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001573698039 959797685 /nfs/dbraw/zinc/79/76/85/959797685.db2.gz IMAIDUBPRUSZBB-JHJVBQTASA-N -1 0 349.387 2.451 20 5 EEBDRM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC001573747963 960513345 /nfs/dbraw/zinc/51/33/45/960513345.db2.gz FQIBFDZUKWWCIW-QPKOPYBWSA-N -1 0 332.356 2.268 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001319965522 960967333 /nfs/dbraw/zinc/96/73/33/960967333.db2.gz OEEQRTHBQSNUEU-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001574084678 962313470 /nfs/dbraw/zinc/31/34/70/962313470.db2.gz BAOMIPVJQAMCFE-LJGSYFOKSA-N -1 0 328.708 2.310 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001604157655 972572516 /nfs/dbraw/zinc/57/25/16/972572516.db2.gz QWKWNATWSPNHGH-UHFFFAOYSA-N -1 0 332.259 2.133 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001603360468 972825501 /nfs/dbraw/zinc/82/55/01/972825501.db2.gz SFLJTWXLCQXMEH-PWSUYJOCSA-N -1 0 345.355 2.188 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001603360699 972829490 /nfs/dbraw/zinc/82/94/90/972829490.db2.gz WUFYSKPTZBGNIH-KOLCDFICSA-N -1 0 340.763 2.360 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccnc1 ZINC001592303161 977654339 /nfs/dbraw/zinc/65/43/39/977654339.db2.gz HHFHGAXYAOULGL-MRXNPFEDSA-N -1 0 347.302 2.249 20 5 EEBDRM C[C@H](CC1CCC1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001592465277 978205186 /nfs/dbraw/zinc/20/51/86/978205186.db2.gz CHQOOSVPZCUKCL-SECBINFHSA-N -1 0 342.373 2.150 20 5 EEBDRM C[C@@H](CN(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001592567938 978459945 /nfs/dbraw/zinc/45/99/45/978459945.db2.gz CMZNWDKBGKPMBD-VIFPVBQESA-N -1 0 328.752 2.360 20 5 EEBDRM C[C@H](CNC(=O)c1cc(C(=O)[O-])ccn1)c1ccccc1[N+](=O)[O-] ZINC001592694631 979149040 /nfs/dbraw/zinc/14/90/40/979149040.db2.gz XAJQRSXEZSXWLO-SNVBAGLBSA-N -1 0 329.312 2.222 20 5 EEBDRM CO[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000849349059 979500134 /nfs/dbraw/zinc/50/01/34/979500134.db2.gz OINHXBSEXFDXAQ-KUXCDZRCSA-N -1 0 336.344 2.156 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000864202198 979881586 /nfs/dbraw/zinc/88/15/86/979881586.db2.gz PICGEJQFHJEGKR-ABAIWWIYSA-N -1 0 348.355 2.228 20 5 EEBDRM O=C([O-])[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1C1CC1 ZINC000900400989 980251716 /nfs/dbraw/zinc/25/17/16/980251716.db2.gz SCUQDZKGCWAADA-QWHCGFSZSA-N -1 0 331.372 2.416 20 5 EEBDRM C[C@](NC(=O)C[C@@H]1CC[C@H]2C[C@H]21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593014493 980255260 /nfs/dbraw/zinc/25/52/60/980255260.db2.gz MFXGRRBYUPEVLO-URTBUVHWSA-N -1 0 332.356 2.447 20 5 EEBDRM CCC1(CC)CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC001595376355 980905692 /nfs/dbraw/zinc/90/56/92/980905692.db2.gz VJSCMAMRCKFYOX-UHFFFAOYSA-N -1 0 342.373 2.104 20 5 EEBDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC001589264786 985936129 /nfs/dbraw/zinc/93/61/29/985936129.db2.gz PSZJZAXIYUJLMJ-UHFFFAOYSA-N -1 0 331.284 2.384 20 5 EEBDRM CC(=O)c1ccc(N[C@H](C[C@H]2CCCOC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001589289860 986022268 /nfs/dbraw/zinc/02/22/68/986022268.db2.gz DLJBEHFTLQIFEZ-BXUZGUMPSA-N -1 0 336.344 2.479 20 5 EEBDRM C[C@@H]1COCC[C@@H]1Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594605229 986565104 /nfs/dbraw/zinc/56/51/04/986565104.db2.gz YVXZFOYHIJRZKS-XCBNKYQSSA-N -1 0 325.277 2.038 20 5 EEBDRM CC(C)(CN1CCOCC1)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001590702654 990428488 /nfs/dbraw/zinc/42/84/88/990428488.db2.gz JDTIZMSUBNRFLZ-XQRVVYSFSA-N -1 0 349.387 2.215 20 5 EEBDRM COc1cccc([C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001599686969 991003089 /nfs/dbraw/zinc/00/30/89/991003089.db2.gz SUAHBWHUKOEINW-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(C(=O)[O-])c1 ZINC001599767406 992198854 /nfs/dbraw/zinc/19/88/54/992198854.db2.gz DJVUQAFSAVSQTB-UHFFFAOYSA-N -1 0 337.309 2.489 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598530919 992779495 /nfs/dbraw/zinc/77/94/95/992779495.db2.gz JKRVECZTOLMKEN-UHFFFAOYSA-N -1 0 332.272 2.233 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001598531166 992782503 /nfs/dbraw/zinc/78/25/03/992782503.db2.gz YMRPTYZVOJEMCM-UHFFFAOYSA-N -1 0 330.300 2.352 20 5 EEBDRM CN1C[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])Cc2ccccc21 ZINC001598570728 993191996 /nfs/dbraw/zinc/19/19/96/993191996.db2.gz VFNPXPPGXISIJG-GFCCVEGCSA-N -1 0 328.328 2.161 20 5 EEBDRM C[C@](NC(=O)c1cc(Cl)ccn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593156306 993973247 /nfs/dbraw/zinc/97/32/47/993973247.db2.gz REPWVQJJDUDBAZ-OAHLLOKOSA-N -1 0 349.730 2.373 20 5 EEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001598656641 994532575 /nfs/dbraw/zinc/53/25/75/994532575.db2.gz GCSVKPPVGKPKGV-UHFFFAOYSA-N -1 0 343.339 2.289 20 5 EEBDRM C[C@H](Sc1nc(C(=O)[O-])c[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001593678951 996096418 /nfs/dbraw/zinc/09/64/18/996096418.db2.gz CMWUJMRZIMXMJB-ZETCQYMHSA-N -1 0 336.329 2.135 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001599196259 997222023 /nfs/dbraw/zinc/22/20/23/997222023.db2.gz XILDGXGTKGKQAC-MRXNPFEDSA-N -1 0 331.328 2.213 20 5 EEBDRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC001599147737 998241978 /nfs/dbraw/zinc/24/19/78/998241978.db2.gz BSQSGOYESCRTDP-CQSZACIVSA-N -1 0 344.751 2.166 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC001599461812 998285194 /nfs/dbraw/zinc/28/51/94/998285194.db2.gz BGIZUMNVYBJTMS-UHFFFAOYSA-N -1 0 337.313 2.319 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001599462072 998290624 /nfs/dbraw/zinc/29/06/24/998290624.db2.gz IGNIEAHZUATSGQ-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001599462520 998298393 /nfs/dbraw/zinc/29/83/93/998298393.db2.gz XRBWAOKFOVACSF-HNNXBMFYSA-N -1 0 332.312 2.225 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC001594170399 998654258 /nfs/dbraw/zinc/65/42/58/998654258.db2.gz DDPXVCPFENCATP-AAEUAGOBSA-N -1 0 347.371 2.130 20 5 EEBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594230734 998877364 /nfs/dbraw/zinc/87/73/64/998877364.db2.gz OZOPEIOFCMUYTJ-GHMZBOCLSA-N -1 0 336.344 2.319 20 5 EEBDRM C[C@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1CO ZINC001594432541 999609409 /nfs/dbraw/zinc/60/94/09/999609409.db2.gz UCMYDUKCGLVJLF-IUCAKERBSA-N -1 0 328.752 2.401 20 5 EEBDRM CC[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)C[C@@H](C)O1 ZINC001526345050 1120504862 /nfs/dbraw/zinc/50/48/62/1120504862.db2.gz QNHHSFBHMOCQNT-ZYHUDNBSSA-N -1 0 347.375 2.100 20 5 EEBDRM CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000426678577 241325407 /nfs/dbraw/zinc/32/54/07/241325407.db2.gz QYVUDBPAFYTSAO-OAHLLOKOSA-N -1 0 344.323 2.335 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000262231271 244875184 /nfs/dbraw/zinc/87/51/84/244875184.db2.gz VJMKEBACJSQEPZ-SNVBAGLBSA-N -1 0 333.344 2.330 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000262236161 244878488 /nfs/dbraw/zinc/87/84/88/244878488.db2.gz ZFSHHRRCUBMDHM-CQSZACIVSA-N -1 0 332.356 2.241 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000013166191 211532997 /nfs/dbraw/zinc/53/29/97/211532997.db2.gz UMEXLCRZOMWFHT-UHFFFAOYSA-N -1 0 345.267 2.131 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000238226318 304263326 /nfs/dbraw/zinc/26/33/26/304263326.db2.gz ZUUXSYLSDNYVMK-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCCCC(=O)[O-])c1C ZINC000270498055 256141824 /nfs/dbraw/zinc/14/18/24/256141824.db2.gz NIDWBYLVNDPYJC-UHFFFAOYSA-N -1 0 344.389 2.135 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000276575204 256445600 /nfs/dbraw/zinc/44/56/00/256445600.db2.gz HSTMXSAHUSVKJU-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM CCc1nn(C)c(CC)c1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119367090 221304623 /nfs/dbraw/zinc/30/46/23/221304623.db2.gz SBMACWCUTPNZMH-UHFFFAOYSA-N -1 0 332.360 2.089 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262502488 152285990 /nfs/dbraw/zinc/28/59/90/152285990.db2.gz KWFCUMIVEYLMDD-UHFFFAOYSA-N -1 0 346.343 2.146 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000262815922 152322418 /nfs/dbraw/zinc/32/24/18/152322418.db2.gz ALTIMYJXJSYVMO-KRWDZBQOSA-N -1 0 345.355 2.263 20 5 EEBDRM C/C=C/C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000263290115 152413480 /nfs/dbraw/zinc/41/34/80/152413480.db2.gz QRORCSATBUUWIE-HSWBROFVSA-N -1 0 335.360 2.323 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000359420859 153354527 /nfs/dbraw/zinc/35/45/27/153354527.db2.gz WLCKSJOIYRUFEK-UHFFFAOYSA-N -1 0 335.366 2.427 20 5 EEBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000261610822 160401535 /nfs/dbraw/zinc/40/15/35/160401535.db2.gz DRSVIZJKDILVLR-LBPRGKRZSA-N -1 0 336.344 2.220 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(O)c1 ZINC000324193020 160540349 /nfs/dbraw/zinc/54/03/49/160540349.db2.gz ZMCVWAMSBUWVEW-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2ccccc2[C@@H]1CO ZINC000185631155 160044298 /nfs/dbraw/zinc/04/42/98/160044298.db2.gz XCIZGROEJNQJRX-HNNXBMFYSA-N -1 0 328.324 2.032 20 5 EEBDRM O=C([O-])c1cccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000344438335 161227595 /nfs/dbraw/zinc/22/75/95/161227595.db2.gz HDKLVFOTJPBFNO-UHFFFAOYSA-N -1 0 343.339 2.411 20 5 EEBDRM CCc1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000345534616 161309394 /nfs/dbraw/zinc/30/93/94/161309394.db2.gz FRZCMNJPUQIKHM-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM CC(C)(NC(=O)c1cccc(C(=O)[O-])n1)c1ccc([N+](=O)[O-])cc1 ZINC000345803318 161333582 /nfs/dbraw/zinc/33/35/82/161333582.db2.gz MVVLFFSODSZDBQ-UHFFFAOYSA-N -1 0 329.312 2.353 20 5 EEBDRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccc([N+](=O)[O-])s1 ZINC000355803899 163307464 /nfs/dbraw/zinc/30/74/64/163307464.db2.gz WBUZTDWAWOTNRU-UHFFFAOYSA-N -1 0 331.313 2.399 20 5 EEBDRM CC(C)n1cnnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356299254 163397181 /nfs/dbraw/zinc/39/71/81/163397181.db2.gz UBXJNMHISHZIIY-UHFFFAOYSA-N -1 0 337.361 2.204 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCN1Cc1ccccn1 ZINC000378427584 167692936 /nfs/dbraw/zinc/69/29/36/167692936.db2.gz XXNPMPHFJWIETK-HNNXBMFYSA-N -1 0 342.355 2.299 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237702855 292580011 /nfs/dbraw/zinc/58/00/11/292580011.db2.gz NHIXERSXFHPMMJ-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM COCCN(Cc1ccc(C)o1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272683567 269008797 /nfs/dbraw/zinc/00/87/97/269008797.db2.gz OHWDMUIXGYNQGQ-UHFFFAOYSA-N -1 0 334.328 2.491 20 5 EEBDRM COCC1(CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000292750379 275474167 /nfs/dbraw/zinc/47/41/67/275474167.db2.gz IBAYBFADFVXDPU-UHFFFAOYSA-N -1 0 346.380 2.219 20 5 EEBDRM CC(C)N(C)C(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000129946888 279320363 /nfs/dbraw/zinc/32/03/63/279320363.db2.gz JIMMOVCPNIOMIR-UHFFFAOYSA-N -1 0 349.387 2.019 20 5 EEBDRM CN1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H](c2ccccc2)C1 ZINC000070902190 290031262 /nfs/dbraw/zinc/03/12/62/290031262.db2.gz HMBGYZZYVXTQNV-INIZCTEOSA-N -1 0 341.367 2.429 20 5 EEBDRM C[C@H](CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000236732327 298312993 /nfs/dbraw/zinc/31/29/93/298312993.db2.gz SVWWXEXNLCZDTE-GFCCVEGCSA-N -1 0 349.387 2.424 20 5 EEBDRM CC(C)(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC(=O)[O-] ZINC000321074599 311596247 /nfs/dbraw/zinc/59/62/47/311596247.db2.gz CWRLGDKJBULKRN-UHFFFAOYSA-N -1 0 344.389 2.154 20 5 EEBDRM C[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000326096592 311603145 /nfs/dbraw/zinc/60/31/45/311603145.db2.gz UPBZVRGLSPZWNX-BXUZGUMPSA-N -1 0 335.360 2.032 20 5 EEBDRM COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c(OC)c1 ZINC000326917505 311604573 /nfs/dbraw/zinc/60/45/73/311604573.db2.gz RFEQDZAWOHYWBR-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM CC(C)N(C)C(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436955127 315016225 /nfs/dbraw/zinc/01/62/25/315016225.db2.gz ZBZMJDCGUASLTF-UHFFFAOYSA-N -1 0 349.387 2.019 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)C=Cc2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000492805235 315820745 /nfs/dbraw/zinc/82/07/45/315820745.db2.gz JACZGNQJZYSMBR-NMTCXDENSA-N -1 0 334.357 2.228 20 5 EEBDRM COc1ccc(CC(=O)NCc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000540670295 318076802 /nfs/dbraw/zinc/07/68/02/318076802.db2.gz FBBAAAVEZTWBGT-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM Nc1c(C(=O)NCC2(CC(=O)[O-])CCCCC2)cccc1[N+](=O)[O-] ZINC000540775908 318078103 /nfs/dbraw/zinc/07/81/03/318078103.db2.gz VFNBDUDAGRSMFH-UHFFFAOYSA-N -1 0 335.360 2.332 20 5 EEBDRM COc1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000540925082 318084153 /nfs/dbraw/zinc/08/41/53/318084153.db2.gz IZNKLPGNKDTNJY-UHFFFAOYSA-N -1 0 332.312 2.118 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccnc(N3CCCC3)c2)n1 ZINC000563206097 318984151 /nfs/dbraw/zinc/98/41/51/318984151.db2.gz JORGYCISNFUBDB-UHFFFAOYSA-N -1 0 343.343 2.295 20 5 EEBDRM CC(C)C(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000565057062 319144756 /nfs/dbraw/zinc/14/47/56/319144756.db2.gz YIRCUXCKRVOOGN-UHFFFAOYSA-N -1 0 330.362 2.006 20 5 EEBDRM CC[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000565604961 319197837 /nfs/dbraw/zinc/19/78/37/319197837.db2.gz YHXQXBICQCYQPC-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM CN(Cc1cc(C(C)(C)C)n[nH]1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566291501 319269943 /nfs/dbraw/zinc/26/99/43/319269943.db2.gz KPPVHWPUTVCNAI-UHFFFAOYSA-N -1 0 333.348 2.345 20 5 EEBDRM CC[C@H](C)C[C@@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000567901525 319432998 /nfs/dbraw/zinc/43/29/98/319432998.db2.gz MBCZBKBKPDGPDI-CMPLNLGQSA-N -1 0 338.360 2.152 20 5 EEBDRM O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000575408760 320104993 /nfs/dbraw/zinc/10/49/93/320104993.db2.gz ZIXGGNCCXCMYKC-HLUHBDAQSA-N -1 0 326.736 2.251 20 5 EEBDRM CN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000582303932 324425797 /nfs/dbraw/zinc/42/57/97/324425797.db2.gz TXDLRVBOLVWZST-ZDUSSCGKSA-N -1 0 331.328 2.248 20 5 EEBDRM C[C@@H](c1ccccc1)[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(N)=O ZINC000339210550 465143811 /nfs/dbraw/zinc/14/38/11/465143811.db2.gz MHYNIRYEFPZHFW-ZBEGNZNMSA-N -1 0 329.356 2.048 20 5 EEBDRM O=C(CCNC(=O)c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356319450 465310909 /nfs/dbraw/zinc/31/09/09/465310909.db2.gz JBXSNOLLBODWKI-UHFFFAOYSA-N -1 0 347.302 2.198 20 5 EEBDRM Cc1nn(CCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(C)c1[N+](=O)[O-] ZINC000089531840 462690865 /nfs/dbraw/zinc/69/08/65/462690865.db2.gz IMDIAGXRGGZRQX-UHFFFAOYSA-N -1 0 349.303 2.051 20 5 EEBDRM CNC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000024102288 463080093 /nfs/dbraw/zinc/08/00/93/463080093.db2.gz OUMXLEKPCPMASJ-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000030530356 463303324 /nfs/dbraw/zinc/30/33/24/463303324.db2.gz HAOGOWAYIHEJGC-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccc2[nH]cnc21 ZINC000097037059 463308356 /nfs/dbraw/zinc/30/83/56/463308356.db2.gz MTMYGGWTBQCXMH-UHFFFAOYSA-N -1 0 346.368 2.456 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCCc2c1cnn2C ZINC000097097817 463323098 /nfs/dbraw/zinc/32/30/98/463323098.db2.gz ASPANUVFPVLCFZ-ZDUSSCGKSA-N -1 0 330.344 2.184 20 5 EEBDRM CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000107776786 463582477 /nfs/dbraw/zinc/58/24/77/463582477.db2.gz BSVHTALRMJULJG-UHFFFAOYSA-N -1 0 331.328 2.414 20 5 EEBDRM Cc1ccc(S(=O)(=O)NC[C@@]2(C)CCCS2)c([N+](=O)[O-])c1 ZINC000126172330 463612375 /nfs/dbraw/zinc/61/23/75/463612375.db2.gz WXDCBPRLJBVOLE-CYBMUJFWSA-N -1 0 330.431 2.467 20 5 EEBDRM Cc1nc2ccccc2n1CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164028425 463612605 /nfs/dbraw/zinc/61/26/05/463612605.db2.gz GISJSIFJDIYDBE-UHFFFAOYSA-N -1 0 340.339 2.389 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2[nH]cnc21 ZINC000177676950 463763675 /nfs/dbraw/zinc/76/36/75/463763675.db2.gz YEAQZAFCRWPUAL-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM Cc1c(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000277135852 463885026 /nfs/dbraw/zinc/88/50/26/463885026.db2.gz BQCIFQHXBLEVLX-UHFFFAOYSA-N -1 0 333.266 2.299 20 5 EEBDRM O=C(NCc1ccnc(N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194743424 463920728 /nfs/dbraw/zinc/92/07/28/463920728.db2.gz SLLXHQVILPZIFN-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263514350 464120173 /nfs/dbraw/zinc/12/01/73/464120173.db2.gz ZBSPLNCLJGXZKI-MGPLVRAMSA-N -1 0 349.343 2.322 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000237459038 464322959 /nfs/dbraw/zinc/32/29/59/464322959.db2.gz PIOCDSAPCCIETJ-NSHDSACASA-N -1 0 335.360 2.178 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000294358918 464476797 /nfs/dbraw/zinc/47/67/97/464476797.db2.gz VRKGIUHKBLFHPC-HNNXBMFYSA-N -1 0 332.356 2.332 20 5 EEBDRM Cc1c(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000193005873 465022029 /nfs/dbraw/zinc/02/20/29/465022029.db2.gz QRPUWJQBADLMEK-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s[n-]1 ZINC000338012771 465748642 /nfs/dbraw/zinc/74/86/42/465748642.db2.gz BGLXPTFQYKQCRS-LURJTMIESA-N -1 0 342.764 2.481 20 5 EEBDRM CN(CCC(=O)[O-])C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000362589505 465856295 /nfs/dbraw/zinc/85/62/95/465856295.db2.gz IHXWIZRBLAGVCJ-UHFFFAOYSA-N -1 0 335.341 2.265 20 5 EEBDRM CC[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000362745465 465995227 /nfs/dbraw/zinc/99/52/27/465995227.db2.gz BZUQBSGDSPBIGY-DGCLKSJQSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C(N[C@H]1COc2cc(F)cc(F)c21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000371871110 466046320 /nfs/dbraw/zinc/04/63/20/466046320.db2.gz XKZMSSSWYWZRPR-JTQLQIEISA-N -1 0 336.250 2.442 20 5 EEBDRM Cn1ccnc1C[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000331709729 466209698 /nfs/dbraw/zinc/20/96/98/466209698.db2.gz CJOXWQBPAJQYRA-GFCCVEGCSA-N -1 0 344.371 2.129 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000591652248 468498234 /nfs/dbraw/zinc/49/82/34/468498234.db2.gz BVOYQIRAYOHGIT-MRXNPFEDSA-N -1 0 348.311 2.047 20 5 EEBDRM Cc1noc(COc2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)n1 ZINC000358265409 466581070 /nfs/dbraw/zinc/58/10/70/466581070.db2.gz OVOPAPRBYFICSJ-UHFFFAOYSA-N -1 0 343.299 2.446 20 5 EEBDRM CCC[C@](C)(NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000319561518 466596090 /nfs/dbraw/zinc/59/60/90/466596090.db2.gz KXERJXVWWMQXFL-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000366076742 467050653 /nfs/dbraw/zinc/05/06/53/467050653.db2.gz YRXZWVOXHRNJQQ-CYBMUJFWSA-N -1 0 330.344 2.320 20 5 EEBDRM CC(C)(C)CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)[O-] ZINC000449134560 467620266 /nfs/dbraw/zinc/62/02/66/467620266.db2.gz KCMRYAGUZCIBSJ-SNVBAGLBSA-N -1 0 341.339 2.325 20 5 EEBDRM COCC[C@@H](Cc1ccco1)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000516653628 468040627 /nfs/dbraw/zinc/04/06/27/468040627.db2.gz NLOCMSQRYAMJED-JTQLQIEISA-N -1 0 335.316 2.341 20 5 EEBDRM Cn1nccc1N1CCC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000567976141 468246966 /nfs/dbraw/zinc/24/69/66/468246966.db2.gz HTLZEGHJLSNOAS-LBPRGKRZSA-N -1 0 345.359 2.107 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000600668535 468615797 /nfs/dbraw/zinc/61/57/97/468615797.db2.gz ZGSJEIIKDMLNLR-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC000600672418 468617036 /nfs/dbraw/zinc/61/70/36/468617036.db2.gz JQIKZBZFTWSWBJ-ZDUSSCGKSA-N -1 0 335.404 2.445 20 5 EEBDRM COc1cccc([C@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])OC)c1 ZINC000600677579 468618862 /nfs/dbraw/zinc/61/88/62/468618862.db2.gz FRSKPVOYPODJJS-AWEZNQCLSA-N -1 0 347.327 2.496 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592954270 468826734 /nfs/dbraw/zinc/82/67/34/468826734.db2.gz RMYUAGQMGLZQJX-UHFFFAOYSA-N -1 0 336.344 2.075 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOC[C@H](C3CCC3)C2)cc([N+](=O)[O-])c1 ZINC000592953145 468826854 /nfs/dbraw/zinc/82/68/54/468826854.db2.gz IEXOUCJJGIFHEB-CQSZACIVSA-N -1 0 348.355 2.182 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCOC(C2CC2)(C2CC2)C1 ZINC000598364243 468842052 /nfs/dbraw/zinc/84/20/52/468842052.db2.gz LCJYAYJRSUDTGS-UHFFFAOYSA-N -1 0 332.356 2.332 20 5 EEBDRM CN1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])Cc2ccccc21 ZINC000584412717 468866833 /nfs/dbraw/zinc/86/68/33/468866833.db2.gz OWCDFMYYSKRVDV-UHFFFAOYSA-N -1 0 328.328 2.144 20 5 EEBDRM CCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598659389 468949731 /nfs/dbraw/zinc/94/97/31/468949731.db2.gz CUGVCDKILPZQTB-NWDGAFQWSA-N -1 0 336.344 2.367 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)N[C@H](CC(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000562884259 469097171 /nfs/dbraw/zinc/09/71/71/469097171.db2.gz DRHFXKXBQBTHEI-PSASIEDQSA-N -1 0 345.302 2.372 20 5 EEBDRM CCCN(CC(=O)[O-])C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165140853 527898651 /nfs/dbraw/zinc/89/86/51/527898651.db2.gz GBHRDZWUYIVIEX-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM Cc1oc(CN(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1C(=O)[O-] ZINC000738320877 578009295 /nfs/dbraw/zinc/00/92/95/578009295.db2.gz UZCYLFUXRZUXNE-UHFFFAOYSA-N -1 0 347.327 2.357 20 5 EEBDRM Cn1nc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C1CC1 ZINC000739049963 576060658 /nfs/dbraw/zinc/06/06/58/576060658.db2.gz JPLWOSWSJBPHHI-UHFFFAOYSA-N -1 0 330.300 2.156 20 5 EEBDRM O=C([O-])CCc1nc(COc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000739775768 576234897 /nfs/dbraw/zinc/23/48/97/576234897.db2.gz UXHMPKPFTIYYLC-UHFFFAOYSA-N -1 0 327.680 2.227 20 5 EEBDRM O=C(OCCOc1ccc2c(c1)CCC(=O)N2)c1ccc([N+](=O)[O-])[n-]1 ZINC000726347684 576256664 /nfs/dbraw/zinc/25/66/64/576256664.db2.gz WPLRXMOFNDLPNS-UHFFFAOYSA-N -1 0 345.311 2.043 20 5 EEBDRM O=C(NC[C@@]1(O)CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773164427 577320280 /nfs/dbraw/zinc/32/02/80/577320280.db2.gz MQZDGIXCABVXJL-SFHVURJKSA-N -1 0 342.351 2.254 20 5 EEBDRM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773539141 577348919 /nfs/dbraw/zinc/34/89/19/577348919.db2.gz XHPWUGYQINKOKL-RAIGVLPGSA-N -1 0 340.426 2.410 20 5 EEBDRM CN1CCOc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])ccc21 ZINC000774248549 577391506 /nfs/dbraw/zinc/39/15/06/577391506.db2.gz GQIRHDAWJMLYRQ-UHFFFAOYSA-N -1 0 329.312 2.381 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000776200101 577454436 /nfs/dbraw/zinc/45/44/36/577454436.db2.gz PJETVFQGVIXZSS-UHFFFAOYSA-N -1 0 335.276 2.307 20 5 EEBDRM Nc1c(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cccc1[N+](=O)[O-] ZINC000766842017 577525709 /nfs/dbraw/zinc/52/57/09/577525709.db2.gz WJXUZLAZORZGHC-UHFFFAOYSA-N -1 0 327.296 2.078 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000767077389 577530351 /nfs/dbraw/zinc/53/03/51/577530351.db2.gz PNFPHFGXNPLINN-ZANVPECISA-N -1 0 338.385 2.445 20 5 EEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(C(=O)[O-])cn1)CC2 ZINC000762362485 577699801 /nfs/dbraw/zinc/69/98/01/577699801.db2.gz CMUXFRWLYUSPSJ-UHFFFAOYSA-N -1 0 327.296 2.199 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000753705797 577792012 /nfs/dbraw/zinc/79/20/12/577792012.db2.gz HHDMFYDQLIIZIG-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000755099167 577819511 /nfs/dbraw/zinc/81/95/11/577819511.db2.gz UBASKKQSNKGXMW-UHFFFAOYSA-N -1 0 347.283 2.147 20 5 EEBDRM NC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000739169673 578042049 /nfs/dbraw/zinc/04/20/49/578042049.db2.gz IZPBEIBNKHVLOS-UHFFFAOYSA-N -1 0 344.283 2.036 20 5 EEBDRM O=C([O-])c1sccc1OS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000740288177 578089115 /nfs/dbraw/zinc/08/91/15/578089115.db2.gz BLBKGOQPXCREDB-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM C[C@H](Sc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736711476 578219446 /nfs/dbraw/zinc/21/94/46/578219446.db2.gz CABASCQFKVIBTK-YFKPBYRVSA-N -1 0 341.313 2.156 20 5 EEBDRM CCCc1n[nH]c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1[N+](=O)[O-] ZINC000737039289 578234384 /nfs/dbraw/zinc/23/43/84/578234384.db2.gz WXCQNFAWEWUZGE-UHFFFAOYSA-N -1 0 344.327 2.125 20 5 EEBDRM CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000737323025 578250269 /nfs/dbraw/zinc/25/02/69/578250269.db2.gz UWSZJILMLSVAPI-INIZCTEOSA-N -1 0 343.339 2.291 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000116540344 597214327 /nfs/dbraw/zinc/21/43/27/597214327.db2.gz OWCLSZSZGPOHTE-UHFFFAOYSA-N -1 0 329.312 2.292 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])CC2 ZINC000833178894 600758113 /nfs/dbraw/zinc/75/81/13/600758113.db2.gz VJGXXWDPCFPBQM-ZDUSSCGKSA-N -1 0 347.371 2.034 20 5 EEBDRM C[C@]1(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000828107119 601560619 /nfs/dbraw/zinc/56/06/19/601560619.db2.gz PDUMRVNSGKDDAW-CYBMUJFWSA-N -1 0 325.277 2.182 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000832958344 601588979 /nfs/dbraw/zinc/58/89/79/601588979.db2.gz WJLFFSMHTQBZJU-AWEZNQCLSA-N -1 0 325.296 2.242 20 5 EEBDRM CCOC(=O)c1cc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000829872861 602123589 /nfs/dbraw/zinc/12/35/89/602123589.db2.gz BAHNXCNDITUISF-CYBMUJFWSA-N -1 0 348.355 2.463 20 5 EEBDRM Nc1c(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cccc1[N+](=O)[O-] ZINC000833090061 602267877 /nfs/dbraw/zinc/26/78/77/602267877.db2.gz AFKSYEYFZLBVNN-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM CC(C)[C@H](NC(=O)[O-])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000824136321 603715677 /nfs/dbraw/zinc/71/56/77/603715677.db2.gz KHXHLVSURJUXRX-NSHDSACASA-N -1 0 329.740 2.157 20 5 EEBDRM Cn1nc2c(c1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CCCC2 ZINC000833060411 604281555 /nfs/dbraw/zinc/28/15/55/604281555.db2.gz IRJRLVSSUDLJJV-UHFFFAOYSA-N -1 0 344.327 2.158 20 5 EEBDRM Cc1cc([C@@H](C)OC(=O)CCn2cc([N+](=O)[O-])cn2)oc1C(=O)[O-] ZINC000832872581 604575259 /nfs/dbraw/zinc/57/52/59/604575259.db2.gz QZPFJNZEPDPTEY-SECBINFHSA-N -1 0 337.288 2.085 20 5 EEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1noc(CCCC(=O)[O-])n1 ZINC000833400814 604705162 /nfs/dbraw/zinc/70/51/62/604705162.db2.gz NYQZWPHEBPFERI-UHFFFAOYSA-N -1 0 349.299 2.167 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 ZINC000031948036 604792325 /nfs/dbraw/zinc/79/23/25/604792325.db2.gz CDONBDIZPBBHEY-UHFFFAOYSA-N -1 0 333.325 2.419 20 5 EEBDRM CC(C)C[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000833479641 605182866 /nfs/dbraw/zinc/18/28/66/605182866.db2.gz DFMYBLNEANWBAN-ZDUSSCGKSA-N -1 0 340.401 2.444 20 5 EEBDRM CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000833459263 605461297 /nfs/dbraw/zinc/46/12/97/605461297.db2.gz OEECRFDTYWTRLG-UHFFFAOYSA-N -1 0 332.259 2.037 20 5 EEBDRM O=C([O-])c1ccccc1OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000833785784 605492301 /nfs/dbraw/zinc/49/23/01/605492301.db2.gz WUAXFRRRMOHHDQ-UHFFFAOYSA-N -1 0 331.236 2.241 20 5 EEBDRM CCOc1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262311326 685317113 /nfs/dbraw/zinc/31/71/13/685317113.db2.gz NXTGQXFVWQFNTC-UHFFFAOYSA-N -1 0 336.344 2.320 20 5 EEBDRM Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](Nc3ccc([N+](=O)[O-])c(C)c3)C2)c1[O-] ZINC001059189021 683140501 /nfs/dbraw/zinc/14/05/01/683140501.db2.gz SPSJLTNEDIQUOW-HAQNSBGRSA-N -1 0 345.359 2.013 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1=CCCCC1 ZINC000124780474 686111093 /nfs/dbraw/zinc/11/10/93/686111093.db2.gz WLZZLXUMUSOTAV-UHFFFAOYSA-N -1 0 328.321 2.039 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000263399860 689788473 /nfs/dbraw/zinc/78/84/73/689788473.db2.gz ZVNWFFZGGATWCB-DTWKUNHWSA-N -1 0 326.736 2.431 20 5 EEBDRM N=C(Nc1cc2cc[nH]c2c([N+](=O)[O-])c1)SCCS(=O)(=O)[O-] ZINC001168091007 1186611390 /nfs/dbraw/zinc/61/13/90/1186611390.db2.gz UAYATFNXIGTZAN-UHFFFAOYSA-N -1 0 344.374 2.044 20 5 EEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@@H](Cc2nccs2)C1 ZINC000890215032 1202225876 /nfs/dbraw/zinc/22/58/76/1202225876.db2.gz OFDPVBOXLSHHJS-JTQLQIEISA-N -1 0 333.369 2.462 20 5 EEBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000778812125 1208361495 /nfs/dbraw/zinc/36/14/95/1208361495.db2.gz UYIJFCPXWDXVAY-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000778811585 1208361573 /nfs/dbraw/zinc/36/15/73/1208361573.db2.gz RMLVUDCPIAYDCW-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM C[C@@](O)(CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000779347547 1210023496 /nfs/dbraw/zinc/02/34/96/1210023496.db2.gz SASJCGHWRZIOQO-QGZVFWFLSA-N -1 0 330.340 2.328 20 5 EEBDRM CCCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CC(C)C ZINC000864088136 1210467881 /nfs/dbraw/zinc/46/78/81/1210467881.db2.gz ZJUISLTXRFZZAA-UHFFFAOYSA-N -1 0 343.405 2.268 20 5 EEBDRM CCc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])co1 ZINC000832473255 1215647981 /nfs/dbraw/zinc/64/79/81/1215647981.db2.gz LWOOUXNQLZNBMY-UHFFFAOYSA-N -1 0 345.764 2.277 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nc1C ZINC000800927764 1234820988 /nfs/dbraw/zinc/82/09/88/1234820988.db2.gz AGDIPBMKQHYZRW-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM O=C([O-])C[C@H]1COCCN1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000902002672 1236821962 /nfs/dbraw/zinc/82/19/62/1236821962.db2.gz SMAREZXSRAEXET-NSHDSACASA-N -1 0 348.277 2.289 20 5 EEBDRM CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886598 1277380257 /nfs/dbraw/zinc/38/02/57/1277380257.db2.gz ZQYAHMBQALSGDY-RKDXNWHRSA-N -1 0 332.353 2.221 20 5 EEBDRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000115924714 1294039050 /nfs/dbraw/zinc/03/90/50/1294039050.db2.gz TWPABIJDENPDMO-UHFFFAOYSA-N -1 0 348.380 2.259 20 5 EEBDRM COc1nc(C)ccc1-c1noc(-c2cnc([N+](=O)[O-])c([O-])c2)n1 ZINC001213596148 1296102609 /nfs/dbraw/zinc/10/26/09/1296102609.db2.gz OGMWKPIRAHLTSR-UHFFFAOYSA-N -1 0 329.272 2.124 20 5 EEBDRM COc1ccc(-c2noc(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)n2)cn1 ZINC001216837423 1297310525 /nfs/dbraw/zinc/31/05/25/1297310525.db2.gz WSGHKKAWKYTELO-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM O=C1C[C@H](Oc2cccc([O-])c2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC001225620129 1301096254 /nfs/dbraw/zinc/09/62/54/1301096254.db2.gz NFJYCLNXZDQJND-AWEZNQCLSA-N -1 0 342.307 2.007 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(OC2CCCCCC2)c1[N+](=O)[O-] ZINC001226021263 1301236016 /nfs/dbraw/zinc/23/60/16/1301236016.db2.gz PNRMCUHDDULDTP-UHFFFAOYSA-N -1 0 325.321 2.369 20 5 EEBDRM O=C(c1ccco1)[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccco1 ZINC001226330937 1301360396 /nfs/dbraw/zinc/36/03/96/1301360396.db2.gz FZBIQVFARPGQON-GFCCVEGCSA-N -1 0 331.240 2.279 20 5 EEBDRM CSc1nc(OC[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624915 1301914312 /nfs/dbraw/zinc/91/43/12/1301914312.db2.gz IUAAHTHSHYAEDY-VIFPVBQESA-N -1 0 335.341 2.195 20 5 EEBDRM CCCSc1nc(OC2CN(C(C)(C)C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229796422 1302947805 /nfs/dbraw/zinc/94/78/05/1302947805.db2.gz KXYCLHVFHFIBQH-UHFFFAOYSA-N -1 0 342.421 2.454 20 5 EEBDRM COC(=O)[C@@H](Oc1[n-]c(=O)nc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC001231069552 1303608727 /nfs/dbraw/zinc/60/87/27/1303608727.db2.gz AIFCJCDLZBYYOZ-VIFPVBQESA-N -1 0 339.691 2.037 20 5 EEBDRM CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000780435302 1303667286 /nfs/dbraw/zinc/66/72/86/1303667286.db2.gz XJYSDVUBUJCKFR-ZJUUUORDSA-N -1 0 344.389 2.091 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)cc([N+](=O)[O-])c1 ZINC000835746485 1314945389 /nfs/dbraw/zinc/94/53/89/1314945389.db2.gz NDBWTXKPXOAOMC-SUNKGSAMSA-N -1 0 338.385 2.151 20 5 EEBDRM C[C@@]1(CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1(Cl)Cl ZINC000839786401 1315244175 /nfs/dbraw/zinc/24/41/75/1315244175.db2.gz VLOYOAJMOKWHLV-LLVKDONJSA-N -1 0 334.159 2.399 20 5 EEBDRM CN(C)S(=O)(=O)c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001210395023 1325262940 /nfs/dbraw/zinc/26/29/40/1325262940.db2.gz NOPSXOCIXQVBDY-UHFFFAOYSA-N -1 0 337.357 2.294 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001601227235 1350236538 /nfs/dbraw/zinc/23/65/38/1350236538.db2.gz MCRXLWXPXBQLBZ-USRBBDPCSA-N -1 0 330.340 2.307 20 5 EEBDRM CC(C)(C)C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)[O-] ZINC001603328180 1350688467 /nfs/dbraw/zinc/68/84/67/1350688467.db2.gz XJXNLRWGOTZFHS-LLVKDONJSA-N -1 0 342.323 2.118 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2C[C@H]2Cc2ccccc2)ccc1[O-] ZINC001309202937 1331621223 /nfs/dbraw/zinc/62/12/23/1331621223.db2.gz WNZGJLODUXPNCI-TZMCWYRMSA-N -1 0 348.380 2.210 20 5 EEBDRM O=C([O-])COc1ccc(CN2CC(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001608758907 1351756674 /nfs/dbraw/zinc/75/66/74/1351756674.db2.gz METDIUBTQCJDKH-UHFFFAOYSA-N -1 0 334.250 2.052 20 5 EEBDRM O=C([O-])c1c(Cl)c(-n2cnc(CCCO)c2)ccc1[N+](=O)[O-] ZINC001608830553 1351773447 /nfs/dbraw/zinc/77/34/47/1351773447.db2.gz SHWFXYCVKMKCIX-UHFFFAOYSA-N -1 0 325.708 2.057 20 5 EEBDRM O=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1OC[C@H](O)C(F)(F)F ZINC001608846761 1351777656 /nfs/dbraw/zinc/77/76/56/1351777656.db2.gz TVNJWQUWQWQYNE-ZETCQYMHSA-N -1 0 329.614 2.248 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC[S@](=O)Cc2ccccc2)n1 ZINC001608915517 1351793351 /nfs/dbraw/zinc/79/33/51/1351793351.db2.gz ZWEPNCFZEAWVMN-DEOSSOPVSA-N -1 0 349.368 2.049 20 5 EEBDRM C[C@@H](NC(=O)C(=O)[N-]OC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001321765973 1333154654 /nfs/dbraw/zinc/15/46/54/1333154654.db2.gz FCEUUJTYKNLRGK-LLVKDONJSA-N -1 0 335.360 2.153 20 5 EEBDRM CC(C)N1C(=O)CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC001609705143 1352063782 /nfs/dbraw/zinc/06/37/82/1352063782.db2.gz AJVAUIDEFACNEE-UHFFFAOYSA-N -1 0 349.387 2.058 20 5 EEBDRM CC(C)(CCC(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)[N+](=O)[O-] ZINC001609729140 1352070595 /nfs/dbraw/zinc/07/05/95/1352070595.db2.gz ZSYYMQSWFYNRQY-MRXNPFEDSA-N -1 0 340.351 2.467 20 5 EEBDRM CCC[C@](C)(NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)[O-] ZINC001609954026 1352128713 /nfs/dbraw/zinc/12/87/13/1352128713.db2.gz OPBBPUZJDGKFQN-INIZCTEOSA-N -1 0 346.343 2.358 20 5 EEBDRM CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001344439527 1337393609 /nfs/dbraw/zinc/39/36/09/1337393609.db2.gz VMNDKOIXZFFDGX-NSHDSACASA-N -1 0 328.390 2.472 20 5 EEBDRM CO[C@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC001610240067 1352192499 /nfs/dbraw/zinc/19/24/99/1352192499.db2.gz POBYTKCNAVTQAS-PELKAZGASA-N -1 0 339.304 2.062 20 5 EEBDRM Cc1cc([C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])ccc1F ZINC001610448141 1352223647 /nfs/dbraw/zinc/22/36/47/1352223647.db2.gz UNKMCHZPRGZYMO-AWEZNQCLSA-N -1 0 347.302 2.180 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC001610511257 1352236046 /nfs/dbraw/zinc/23/60/46/1352236046.db2.gz JCZUFMKFZQSTKB-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1C(=O)[O-] ZINC001610605757 1352252709 /nfs/dbraw/zinc/25/27/09/1352252709.db2.gz MYAOCJYFFYZKLS-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC001610791732 1352275435 /nfs/dbraw/zinc/27/54/35/1352275435.db2.gz NPKHSYMJJBVPGC-UHFFFAOYSA-N -1 0 328.324 2.490 20 5 EEBDRM O=C([O-])c1nccnc1N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001610872955 1352288821 /nfs/dbraw/zinc/28/88/21/1352288821.db2.gz NODHRRSYPZFSJA-LBPRGKRZSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2cccc([C@H]3CNC(=O)C3)c2)n1 ZINC001610882742 1352290424 /nfs/dbraw/zinc/29/04/24/1352290424.db2.gz BMGIVCCSIACAKE-SNVBAGLBSA-N -1 0 342.311 2.035 20 5 EEBDRM O=c1c2ccccc2c(-c2nnn[n-]2)cn1Cc1cccc([N+](=O)[O-])c1 ZINC001582806043 1344794092 /nfs/dbraw/zinc/79/40/92/1344794092.db2.gz FQVCWPIWSAJWRR-UHFFFAOYSA-N -1 0 348.322 2.138 20 5 EEBDRM Cc1c(CC(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC001600011910 1349955080 /nfs/dbraw/zinc/95/50/80/1349955080.db2.gz UNMFOVSPUYLULV-INIZCTEOSA-N -1 0 344.323 2.093 20 5 EEBDRM Cc1cc(C)n(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n1 ZINC001600178766 1349986379 /nfs/dbraw/zinc/98/63/79/1349986379.db2.gz JHEIXWHIBXAJIA-UHFFFAOYSA-N -1 0 332.316 2.053 20 5 EEBDRM Cc1cc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001600249315 1350001640 /nfs/dbraw/zinc/00/16/40/1350001640.db2.gz DZBFFLGXBKKWBV-LLVKDONJSA-N -1 0 336.325 2.335 20 5 EEBDRM Cc1cc(N[C@@H](C)C(=O)NCC(F)(F)F)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600278383 1350009346 /nfs/dbraw/zinc/00/93/46/1350009346.db2.gz YDMUMAFOUMMPEX-ZETCQYMHSA-N -1 0 349.265 2.080 20 5 EEBDRM Cc1cc(NC[C@H](CO)Cc2cccnc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600279861 1350009596 /nfs/dbraw/zinc/00/95/96/1350009596.db2.gz VVZVZUWEQMDHBC-CYBMUJFWSA-N -1 0 345.355 2.260 20 5 EEBDRM Cc1cc(Nc2cnn(-c3ncccn3)c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600284818 1350011087 /nfs/dbraw/zinc/01/10/87/1350011087.db2.gz LHDLQAIUYZSOEN-UHFFFAOYSA-N -1 0 340.299 2.321 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])n(C)n2)cc1Cl ZINC001600302784 1350014951 /nfs/dbraw/zinc/01/49/51/1350014951.db2.gz REAAEFYFSBLQGP-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1F ZINC001600303851 1350015448 /nfs/dbraw/zinc/01/54/48/1350015448.db2.gz HLUKCABCFASBEO-SECBINFHSA-N -1 0 342.298 2.412 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])n1 ZINC001600304535 1350015859 /nfs/dbraw/zinc/01/58/59/1350015859.db2.gz WYCOWTWJOQGBDV-CQSZACIVSA-N -1 0 335.360 2.452 20 5 EEBDRM Cc1cc2c(ncn(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])c2=O)s1 ZINC001600305287 1350016080 /nfs/dbraw/zinc/01/60/80/1350016080.db2.gz AOKACPJLVPBLFI-UHFFFAOYSA-N -1 0 345.336 2.421 20 5 EEBDRM Cc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)cc1[N+](=O)[O-] ZINC001600337702 1350023480 /nfs/dbraw/zinc/02/34/80/1350023480.db2.gz MQTYFPMBYFWUGP-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1ccc(OC[C@@H](O)COc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001600469010 1350059342 /nfs/dbraw/zinc/05/93/42/1350059342.db2.gz XQBHOLCVFQCKQC-ZDUSSCGKSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c1 ZINC001600487153 1350063234 /nfs/dbraw/zinc/06/32/34/1350063234.db2.gz NIYGIHARRMPECB-QGZVFWFLSA-N -1 0 334.372 2.489 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)n1 ZINC001600486754 1350063416 /nfs/dbraw/zinc/06/34/16/1350063416.db2.gz BUFGSPOKPAAIHX-DTWKUNHWSA-N -1 0 333.266 2.388 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC001600551811 1350080690 /nfs/dbraw/zinc/08/06/90/1350080690.db2.gz GBPXYEBQBBTOQF-UHFFFAOYSA-N -1 0 336.329 2.024 20 5 EEBDRM Cc1ccnc(NC(=O)CN(C)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001600602026 1350094944 /nfs/dbraw/zinc/09/49/44/1350094944.db2.gz ORLBKONUZLKRFJ-UHFFFAOYSA-N -1 0 344.327 2.071 20 5 EEBDRM Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccc(C(=O)[O-])o1 ZINC001600610744 1350097414 /nfs/dbraw/zinc/09/74/14/1350097414.db2.gz JZYPUNTUNOSICJ-UHFFFAOYSA-N -1 0 343.295 2.195 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001600748618 1350127165 /nfs/dbraw/zinc/12/71/65/1350127165.db2.gz XQHBVBYBTWYDHH-AWEZNQCLSA-N -1 0 330.296 2.151 20 5 EEBDRM Cc1nccc([C@H]2CCCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001600748722 1350127221 /nfs/dbraw/zinc/12/72/21/1350127221.db2.gz GHDXLKHZAQROOM-NSHDSACASA-N -1 0 343.343 2.170 20 5 EEBDRM Nc1c(NC(=O)CCc2cccc([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC001601210869 1350232239 /nfs/dbraw/zinc/23/22/39/1350232239.db2.gz GMHIBJWWRHIODO-UHFFFAOYSA-N -1 0 329.312 2.447 20 5 EEBDRM O=C([O-])c1cccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001601361207 1350266466 /nfs/dbraw/zinc/26/64/66/1350266466.db2.gz IBHGYEKCQMQGSQ-UHFFFAOYSA-N -1 0 332.287 2.291 20 5 EEBDRM O=C([O-])[C@]12CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001601369442 1350268692 /nfs/dbraw/zinc/26/86/92/1350268692.db2.gz IGDJQZUPPBTNGZ-CXAGYDPISA-N -1 0 332.356 2.241 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001601860526 1350383400 /nfs/dbraw/zinc/38/34/00/1350383400.db2.gz SLIASSCEWGMLMC-UUQDBTTHSA-N -1 0 344.367 2.314 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCC[C@@H]2CCOC2=O)c([N+](=O)[O-])c1 ZINC001601883044 1350389864 /nfs/dbraw/zinc/38/98/64/1350389864.db2.gz OPDMXPLJOPVPPU-TXNVCOODSA-N -1 0 334.328 2.448 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC001602133303 1350446823 /nfs/dbraw/zinc/44/68/23/1350446823.db2.gz XOTDOORGEHOJQI-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2coc(-c3ccccc3)n2)c1 ZINC001602299956 1350488076 /nfs/dbraw/zinc/48/80/76/1350488076.db2.gz YFWBJOZAYJXEBM-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(C[C@H]2CC[C@H](c3ccccc3)O2)c1=O ZINC001602300788 1350488802 /nfs/dbraw/zinc/48/88/02/1350488802.db2.gz VVOIEJIZYFIDNP-UKRRQHHQSA-N -1 0 344.323 2.375 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2ccc3cccnn32)cc1[N+](=O)[O-] ZINC001602386767 1350508260 /nfs/dbraw/zinc/50/82/60/1350508260.db2.gz MVDWNXPDMHYCGI-UHFFFAOYSA-N -1 0 327.252 2.160 20 5 EEBDRM O=C([O-])c1nc(N[C@H]2C=CCC2)nc(N[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC001602570949 1350549484 /nfs/dbraw/zinc/54/94/84/1350549484.db2.gz NQDGWVOYIIVYBX-UWVGGRQHSA-N -1 0 331.332 2.344 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC001602621330 1350559616 /nfs/dbraw/zinc/55/96/16/1350559616.db2.gz MTRPMERWXXLVAK-UHFFFAOYSA-N -1 0 329.268 2.180 20 5 EEBDRM C/C(=C\CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001602968768 1350613810 /nfs/dbraw/zinc/61/38/10/1350613810.db2.gz WDVHJRKSTYQLON-VQHVLOKHSA-N -1 0 326.736 2.328 20 5 EEBDRM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CC(=O)[O-])CC1 ZINC001603180277 1350657363 /nfs/dbraw/zinc/65/73/63/1350657363.db2.gz AFPNPAISFYCQMG-LLVKDONJSA-N -1 0 335.360 2.109 20 5 EEBDRM CC(C)(C)c1ccc(N[C@@H]2CCN(CCC(=O)[O-])C2=O)cc1[N+](=O)[O-] ZINC001603540312 1350717809 /nfs/dbraw/zinc/71/78/09/1350717809.db2.gz PUCOMKAHRMOVKA-CYBMUJFWSA-N -1 0 349.387 2.380 20 5 EEBDRM CC(C)(NC(=O)c1ccnc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001603679737 1350741346 /nfs/dbraw/zinc/74/13/46/1350741346.db2.gz CEUNSSFCLCBIFC-UHFFFAOYSA-N -1 0 329.312 2.353 20 5 EEBDRM CC1(C)CC2(CC(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)CO1 ZINC001604520902 1350954284 /nfs/dbraw/zinc/95/42/84/1350954284.db2.gz HVVXCMDAOGDLSO-UHFFFAOYSA-N -1 0 348.355 2.371 20 5 EEBDRM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(C(=O)[O-])n1C ZINC001604825857 1351016531 /nfs/dbraw/zinc/01/65/31/1351016531.db2.gz MVHYROVEKVVUKL-VIFPVBQESA-N -1 0 329.312 2.223 20 5 EEBDRM CCCc1[nH]nc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1[N+](=O)[O-] ZINC001605363904 1351144754 /nfs/dbraw/zinc/14/47/54/1351144754.db2.gz GZFFBUKUOOGPTC-ZETCQYMHSA-N -1 0 337.288 2.480 20 5 EEBDRM CCCn1ccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001605388435 1351151283 /nfs/dbraw/zinc/15/12/83/1351151283.db2.gz ADPSCFCFABTZAT-UHFFFAOYSA-N -1 0 331.328 2.435 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001605889190 1351247679 /nfs/dbraw/zinc/24/76/79/1351247679.db2.gz GRJAWCVTKKUXCT-UHFFFAOYSA-N -1 0 341.297 2.216 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC001605925816 1351255032 /nfs/dbraw/zinc/25/50/32/1351255032.db2.gz JEABJRXYGQVQCY-GWCFXTLKSA-N -1 0 346.343 2.003 20 5 EEBDRM CCn1cnc2c1ncnc2Oc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605933045 1351256167 /nfs/dbraw/zinc/25/61/67/1351256167.db2.gz WIVRJLPFCIZSSZ-UHFFFAOYSA-N -1 0 329.272 2.245 20 5 EEBDRM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)o1 ZINC001606979565 1351390536 /nfs/dbraw/zinc/39/05/36/1351390536.db2.gz KFWHAFUBLGITPT-UHFFFAOYSA-N -1 0 349.690 2.378 20 5 EEBDRM CON(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H](C)CC(=O)[O-] ZINC001606987003 1351392764 /nfs/dbraw/zinc/39/27/64/1351392764.db2.gz FDIDUQIYXSKHSD-SECBINFHSA-N -1 0 337.332 2.036 20 5 EEBDRM O=[N+]([O-])c1cn(Cc2cc(Cl)sc2Cl)nc1-c1nnn[n-]1 ZINC001607085997 1351411869 /nfs/dbraw/zinc/41/18/69/1351411869.db2.gz GHAAHMZFJGLRPL-UHFFFAOYSA-N -1 0 346.159 2.388 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@]1(C)C(=O)[O-] ZINC001607474360 1351499724 /nfs/dbraw/zinc/49/97/24/1351499724.db2.gz DCYMJQPASWMFDO-RTHLEPHNSA-N -1 0 326.736 2.431 20 5 EEBDRM Cc1c(Cl)c(C(=O)[O-])nn1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001607528170 1351510989 /nfs/dbraw/zinc/51/09/89/1351510989.db2.gz ASWQZZHXHQLLMJ-UHFFFAOYSA-N -1 0 340.679 2.408 20 5 EEBDRM Cc1c(NC(=O)N(C)Cc2ccon2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607541324 1351512662 /nfs/dbraw/zinc/51/26/62/1351512662.db2.gz TWFQUVZQEJQWIT-UHFFFAOYSA-N -1 0 334.288 2.253 20 5 EEBDRM Cc1c(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607541495 1351512860 /nfs/dbraw/zinc/51/28/60/1351512860.db2.gz WZIAKJZIKWDXIC-GDPRMGEGSA-N -1 0 332.312 2.155 20 5 EEBDRM Cc1cc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC001607578016 1351518627 /nfs/dbraw/zinc/51/86/27/1351518627.db2.gz GGLDXQNBUZGWHA-GFCCVEGCSA-N -1 0 349.387 2.496 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cc(C(=O)[O-])co2)c1 ZINC001607824879 1351566164 /nfs/dbraw/zinc/56/61/64/1351566164.db2.gz HNVKWJRPCYAHOG-UHFFFAOYSA-N -1 0 348.311 2.280 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)n1 ZINC001608122610 1351629612 /nfs/dbraw/zinc/62/96/12/1351629612.db2.gz NTDUFYTVKUSQEW-ZDUSSCGKSA-N -1 0 345.311 2.261 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC001608278878 1351661598 /nfs/dbraw/zinc/66/15/98/1351661598.db2.gz KONHCNYNTJKXDP-FRQROOTJSA-N -1 0 344.367 2.412 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccccc1)OC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001608342912 1351674837 /nfs/dbraw/zinc/67/48/37/1351674837.db2.gz LCZBUQILRNIQPF-OAHLLOKOSA-N -1 0 344.323 2.246 20 5 EEBDRM C/C=C(\C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC ZINC000839062455 1372886808 /nfs/dbraw/zinc/88/68/08/1372886808.db2.gz QTOWJOYLTXOMNK-BJMVGYQFSA-N -1 0 341.389 2.188 20 5 EEBDRM CCc1nc(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)co1 ZINC000848592621 1373160194 /nfs/dbraw/zinc/16/01/94/1373160194.db2.gz WENBVWCINTXTGW-UHFFFAOYSA-N -1 0 341.270 2.433 20 5 EEBDRM CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001606262272 1404777655 /nfs/dbraw/zinc/77/76/55/1404777655.db2.gz UKYCRVYNTAYICL-SFYZADRCSA-N -1 0 341.751 2.273 20 5 EEBDRM COC(=O)[C@](C)(NCc1ccc(C(=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC001606320820 1404791672 /nfs/dbraw/zinc/79/16/72/1404791672.db2.gz SEFNCYJFRBTCCX-MRXNPFEDSA-N -1 0 348.311 2.064 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000796714042 759881150 /nfs/dbraw/zinc/88/11/50/759881150.db2.gz ADKHQZZZQKNDIW-VIFPVBQESA-N -1 0 348.327 2.144 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000817720219 784951837 /nfs/dbraw/zinc/95/18/37/784951837.db2.gz AICIZJPAAKHXTL-UHFFFAOYSA-N -1 0 326.374 2.214 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000112493144 786063923 /nfs/dbraw/zinc/06/39/23/786063923.db2.gz ZUXHTWQUWUIZCR-JTQLQIEISA-N -1 0 328.390 2.399 20 5 EEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CC(C)(C)C ZINC000821603136 786817557 /nfs/dbraw/zinc/81/75/57/786817557.db2.gz LJORCTNYQRLIAS-UHFFFAOYSA-N -1 0 343.405 2.268 20 5 EEBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cccc1-c1nn[nH]n1 ZINC000822109294 787044206 /nfs/dbraw/zinc/04/42/06/787044206.db2.gz PQRBRVDPVSTSFW-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM Cn1c(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])nnc1C1CC1 ZINC000844212823 788931315 /nfs/dbraw/zinc/93/13/15/788931315.db2.gz CBHFLVXZQHWUQJ-XVNBXDOJSA-N -1 0 343.343 2.311 20 5 EEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CC2CC2)cc1[N+](=O)[O-] ZINC000916792312 797893116 /nfs/dbraw/zinc/89/31/16/797893116.db2.gz XFPPJROVZFWCDR-UHFFFAOYSA-N -1 0 332.765 2.162 20 5 EEBDRM COCCCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000805038010 811134694 /nfs/dbraw/zinc/13/46/94/811134694.db2.gz PIOSXMRLSZLOOA-VIFPVBQESA-N -1 0 332.740 2.100 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001601511079 971008837 /nfs/dbraw/zinc/00/88/37/971008837.db2.gz XGCYCTPYWFIOIS-WDEREUQCSA-N -1 0 340.763 2.408 20 5 EEBDRM CCNc1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001589960220 950737184 /nfs/dbraw/zinc/73/71/84/950737184.db2.gz NWCMCBVUTUJQCX-UHFFFAOYSA-N -1 0 330.300 2.372 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001589302952 953703175 /nfs/dbraw/zinc/70/31/75/953703175.db2.gz CHCNTSJISKRRRN-QWRGUYRKSA-N -1 0 338.385 2.399 20 5 EEBDRM CC(C)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000848580193 955751393 /nfs/dbraw/zinc/75/13/93/955751393.db2.gz JLKQWSNRLIDVDD-LLVKDONJSA-N -1 0 343.767 2.404 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C(=O)[O-])cc2)n1 ZINC001593886548 955756191 /nfs/dbraw/zinc/75/61/91/955756191.db2.gz HYQJENZLWDEUOL-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH]nc1C(=O)[O-] ZINC001589173316 956477142 /nfs/dbraw/zinc/47/71/42/956477142.db2.gz WLCVBWMAHXXWSL-SSDOTTSWSA-N -1 0 336.329 2.135 20 5 EEBDRM Nc1c(C(=O)N2CCCC[C@H]2C(=O)[O-])cc2ccccc2c1[N+](=O)[O-] ZINC001594658866 956513540 /nfs/dbraw/zinc/51/35/40/956513540.db2.gz CXPYGVBJHVOXNH-ZDUSSCGKSA-N -1 0 343.339 2.410 20 5 EEBDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001589206313 956668214 /nfs/dbraw/zinc/66/82/14/956668214.db2.gz ZJOMZYBYPRDMNW-UHFFFAOYSA-N -1 0 349.387 2.260 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])ccn1 ZINC001594688184 956726307 /nfs/dbraw/zinc/72/63/07/956726307.db2.gz NOSHUARXJIQSGR-UHFFFAOYSA-N -1 0 331.284 2.096 20 5 EEBDRM CCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000159004521 959102694 /nfs/dbraw/zinc/10/26/94/959102694.db2.gz NQFZRSPHZDQBLR-QMMMGPOBSA-N -1 0 345.149 2.340 20 5 EEBDRM CC(C)[C@@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588821451 961625660 /nfs/dbraw/zinc/62/56/60/961625660.db2.gz JEABKARYEXFOLY-SNVBAGLBSA-N -1 0 328.752 2.264 20 5 EEBDRM O=C([O-])C1(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)CC=CC1 ZINC001574641091 962352167 /nfs/dbraw/zinc/35/21/67/962352167.db2.gz NZSOGEORHKKKFP-UHFFFAOYSA-N -1 0 342.311 2.344 20 5 EEBDRM C[C@@H](CC(=O)[O-])NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001609871060 970562507 /nfs/dbraw/zinc/56/25/07/970562507.db2.gz JTDHQCQQBATZLM-AAEUAGOBSA-N -1 0 335.360 2.347 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001603365415 972851379 /nfs/dbraw/zinc/85/13/79/972851379.db2.gz LFRMNIMHIVSXHI-ONGXEEELSA-N -1 0 331.328 2.259 20 5 EEBDRM CC(C)Oc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)ccc1[N+](=O)[O-] ZINC001591751816 975810266 /nfs/dbraw/zinc/81/02/66/975810266.db2.gz HPZCVTPNVNPVSH-JQWIXIFHSA-N -1 0 336.344 2.317 20 5 EEBDRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001592216799 977285015 /nfs/dbraw/zinc/28/50/15/977285015.db2.gz KEJCJDSVOJFMPV-VUHVRTRXSA-N -1 0 347.352 2.477 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)C2 ZINC000712994581 977626953 /nfs/dbraw/zinc/62/69/53/977626953.db2.gz LIEWIHJNCGTJAM-LTMDPNIMSA-N -1 0 342.149 2.418 20 5 EEBDRM C[C@@H](CNC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592663718 978648307 /nfs/dbraw/zinc/64/83/07/978648307.db2.gz ILZNGJRQCRORDC-PRXAMGSTSA-N -1 0 349.387 2.451 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCCCCCC2)cc1[N+](=O)[O-] ZINC000828817915 978988483 /nfs/dbraw/zinc/98/84/83/978988483.db2.gz VBCJHFZFVNQDGO-UHFFFAOYSA-N -1 0 342.373 2.248 20 5 EEBDRM C[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1cccc([N+](=O)[O-])c1 ZINC001593020058 980277182 /nfs/dbraw/zinc/27/71/82/980277182.db2.gz SIAOCAMOMGGWRT-SCDSUCTJSA-N -1 0 336.344 2.042 20 5 EEBDRM CC[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595441183 981078993 /nfs/dbraw/zinc/07/89/93/981078993.db2.gz OCUSPSDGIBKRFK-CABZTGNLSA-N -1 0 342.373 2.150 20 5 EEBDRM CCCC1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001595623268 981719476 /nfs/dbraw/zinc/71/94/76/981719476.db2.gz HSCKSAMVAYYIBC-UHFFFAOYSA-N -1 0 349.387 2.426 20 5 EEBDRM CCC(C)(C)CCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001594800729 981888568 /nfs/dbraw/zinc/88/85/68/981888568.db2.gz GSNCOIDTJHBHOH-UHFFFAOYSA-N -1 0 344.389 2.398 20 5 EEBDRM CC[C@H](C)NC(=O)CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001594989069 982837903 /nfs/dbraw/zinc/83/79/03/982837903.db2.gz DXSWKMUAKXXSHB-ZRQQLDRUSA-N -1 0 335.360 2.409 20 5 EEBDRM C[C@H](CNC(=O)OC(C)(C)C)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001599891289 984697469 /nfs/dbraw/zinc/69/74/69/984697469.db2.gz KLAVROGYKKMQLJ-MRVPVSSYSA-N -1 0 340.336 2.013 20 5 EEBDRM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC001599911869 984995751 /nfs/dbraw/zinc/99/57/51/984995751.db2.gz GKJWWSXHTHHESZ-NWDGAFQWSA-N -1 0 334.372 2.442 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@]1(C)C(=O)[O-] ZINC001599924731 985185102 /nfs/dbraw/zinc/18/51/02/985185102.db2.gz AXPKAXRSHFXCGX-RTHLEPHNSA-N -1 0 326.736 2.431 20 5 EEBDRM CC(=O)NCC[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001589133499 985431030 /nfs/dbraw/zinc/43/10/30/985431030.db2.gz UBYVCKHGHGPPED-LBPRGKRZSA-N -1 0 335.360 2.036 20 5 EEBDRM Cc1[nH]c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C(=O)[O-] ZINC001599961887 985799041 /nfs/dbraw/zinc/79/90/41/985799041.db2.gz CGPBLTMWYHVVDQ-UHFFFAOYSA-N -1 0 344.371 2.252 20 5 EEBDRM CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001597059413 986542625 /nfs/dbraw/zinc/54/26/25/986542625.db2.gz BKDGNMLCXDTVFV-ZYHUDNBSSA-N -1 0 336.344 2.176 20 5 EEBDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC001589531281 987201490 /nfs/dbraw/zinc/20/14/90/987201490.db2.gz CRCKWYSDSJUNLQ-MRVPVSSYSA-N -1 0 331.284 2.136 20 5 EEBDRM CSc1ccc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1[N+](=O)[O-] ZINC001599809423 988308849 /nfs/dbraw/zinc/30/88/49/988308849.db2.gz DGNVSESRCNXSNW-BMIGLBTASA-N -1 0 336.369 2.396 20 5 EEBDRM CSc1cccc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])c1[N+](=O)[O-] ZINC001599822742 988542791 /nfs/dbraw/zinc/54/27/91/988542791.db2.gz VKUYNVQXQMKBCO-PSLIRLAXSA-N -1 0 336.369 2.396 20 5 EEBDRM CC(C)(C)Oc1cc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001590409261 989945800 /nfs/dbraw/zinc/94/58/00/989945800.db2.gz HVBCTHGTYIYTOJ-ZYHUDNBSSA-N -1 0 338.360 2.044 20 5 EEBDRM CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598087925 990420613 /nfs/dbraw/zinc/42/06/13/990420613.db2.gz NYQGNJNAGNVYIV-DTORHVGOSA-N -1 0 344.270 2.131 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OCC(=O)[O-])cc1 ZINC001598088314 990425380 /nfs/dbraw/zinc/42/53/80/990425380.db2.gz MIGVVEFQDZOPGH-UHFFFAOYSA-N -1 0 336.325 2.396 20 5 EEBDRM CC(C)(NC(=O)CCc1ocnc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001590844550 990716083 /nfs/dbraw/zinc/71/60/83/990716083.db2.gz HEZIRPWRNRKWRM-UHFFFAOYSA-N -1 0 347.327 2.265 20 5 EEBDRM COc1nscc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599743964 991902766 /nfs/dbraw/zinc/90/27/66/991902766.db2.gz VQMZFNPTXIHCDR-AWEZNQCLSA-N -1 0 337.357 2.150 20 5 EEBDRM C[C@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001593079947 993652744 /nfs/dbraw/zinc/65/27/44/993652744.db2.gz ZMBQQXRGPRGVAZ-MMPTUQATSA-N -1 0 335.360 2.408 20 5 EEBDRM C[C@](NC(=O)c1ccc(F)cc1N)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593161266 993992161 /nfs/dbraw/zinc/99/21/61/993992161.db2.gz AQRXGDNBLYVRAB-MRXNPFEDSA-N -1 0 347.302 2.046 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001593666941 996054615 /nfs/dbraw/zinc/05/46/15/996054615.db2.gz GBTHZOMNBZLXNZ-XDTLVQLUSA-N -1 0 338.385 2.445 20 5 EEBDRM COc1ccc(C(=O)[O-])c(OC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC001599491175 996942675 /nfs/dbraw/zinc/94/26/75/996942675.db2.gz HNAIGKFARWLDDV-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM CO[C@]1(C(F)(F)F)CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001599084522 997072683 /nfs/dbraw/zinc/07/26/83/997072683.db2.gz VYYUAPIJZHMXOM-GFCCVEGCSA-N -1 0 349.265 2.236 20 5 EEBDRM CO[C@@H]1CCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599321780 997594245 /nfs/dbraw/zinc/59/42/45/997594245.db2.gz ACFBSOQHHYPXKR-ZWNOBZJWSA-N -1 0 337.332 2.290 20 5 EEBDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC001599361786 998272493 /nfs/dbraw/zinc/27/24/93/998272493.db2.gz XZSFVIRMGHULPL-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM O=C([O-])[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC000037516550 213153246 /nfs/dbraw/zinc/15/32/46/213153246.db2.gz YCWGATSLKMZKPC-LLVKDONJSA-N -1 0 329.150 2.406 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000262538683 245023366 /nfs/dbraw/zinc/02/33/66/245023366.db2.gz QVUKMKRAXZCYFN-CLAHSXSESA-N -1 0 347.327 2.078 20 5 EEBDRM C[C@]1(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCC[C@@H]1C(=O)[O-] ZINC000262918864 245251701 /nfs/dbraw/zinc/25/17/01/245251701.db2.gz IMRYUQNSSPFFSI-BZNIZROVSA-N -1 0 346.343 2.234 20 5 EEBDRM C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000262934040 245258237 /nfs/dbraw/zinc/25/82/37/245258237.db2.gz HEAQKHHUUXVDSA-BONVTDFDSA-N -1 0 347.371 2.494 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C/C(C)(C)C)ccc1[N+](=O)[O-] ZINC000117097737 292236830 /nfs/dbraw/zinc/23/68/30/292236830.db2.gz WRIZXTZNWVJRGN-BQYQJAHWSA-N -1 0 326.374 2.310 20 5 EEBDRM CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262897011 152336502 /nfs/dbraw/zinc/33/65/02/152336502.db2.gz PBXJDIKJMQUYQX-QPUJVOFHSA-N -1 0 344.751 2.241 20 5 EEBDRM CC(C)(C)CC[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000263154782 152389632 /nfs/dbraw/zinc/38/96/32/152389632.db2.gz OBOZATDWBOXKGP-GFCCVEGCSA-N -1 0 348.359 2.480 20 5 EEBDRM CC(C)COCCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128565674 292344406 /nfs/dbraw/zinc/34/44/06/292344406.db2.gz KAWUVKDBCFPMII-UHFFFAOYSA-N -1 0 334.369 2.075 20 5 EEBDRM O=C(CCCNC(=O)c1ccco1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092547635 159222491 /nfs/dbraw/zinc/22/24/91/159222491.db2.gz LBNQCMRRGJPLAR-UHFFFAOYSA-N -1 0 333.300 2.042 20 5 EEBDRM CCC[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000355459529 163198165 /nfs/dbraw/zinc/19/81/65/163198165.db2.gz VJLRNWCTJFJBNU-VIFPVBQESA-N -1 0 344.389 2.411 20 5 EEBDRM Cn1nccc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000374864996 167054107 /nfs/dbraw/zinc/05/41/07/167054107.db2.gz ULSLYBAVCZBRGR-LLVKDONJSA-N -1 0 330.344 2.054 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272679260 269007334 /nfs/dbraw/zinc/00/73/34/269007334.db2.gz MZYLJRLTNKPXAW-RPNIEQJPSA-N -1 0 340.401 2.110 20 5 EEBDRM CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274815504 269056555 /nfs/dbraw/zinc/05/65/55/269056555.db2.gz WKUIROBYRRFQHC-UHFFFAOYSA-N -1 0 338.360 2.494 20 5 EEBDRM CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000295507714 293738778 /nfs/dbraw/zinc/73/87/78/293738778.db2.gz UJMNDXSCOVEDEL-VIFPVBQESA-N -1 0 336.266 2.388 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](O)Cc1ccccc1 ZINC000163693218 311385802 /nfs/dbraw/zinc/38/58/02/311385802.db2.gz CRTQTAULKHRFAK-IAQYHMDHSA-N -1 0 330.340 2.022 20 5 EEBDRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1csc([N+](=O)[O-])c1 ZINC000170747686 311395498 /nfs/dbraw/zinc/39/54/98/311395498.db2.gz GMFHPUOYKKTHAN-UHFFFAOYSA-N -1 0 332.297 2.252 20 5 EEBDRM CC(C)[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000416403655 313213712 /nfs/dbraw/zinc/21/37/12/313213712.db2.gz SSOIMLKBGMUSCI-CYBMUJFWSA-N -1 0 346.343 2.080 20 5 EEBDRM COc1cc(CNc2ccc(N(C)C(C)=O)nc2)cc([N+](=O)[O-])c1[O-] ZINC000416425516 313220215 /nfs/dbraw/zinc/22/02/15/313220215.db2.gz FCLFIDQMEAPXJX-UHFFFAOYSA-N -1 0 346.343 2.299 20 5 EEBDRM CC[C@@H](CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12)OC ZINC000421248964 314069694 /nfs/dbraw/zinc/06/96/94/314069694.db2.gz LPFDEJRZHFGTPB-JTQLQIEISA-N -1 0 339.373 2.310 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)[n-]1 ZINC000421537358 314115997 /nfs/dbraw/zinc/11/59/97/314115997.db2.gz GHQGRJHTBNXIHK-UHFFFAOYSA-N -1 0 332.316 2.364 20 5 EEBDRM CNC(=O)Nc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000436608892 314980142 /nfs/dbraw/zinc/98/01/42/314980142.db2.gz QSCSIICFSSWVHL-UHFFFAOYSA-N -1 0 348.290 2.443 20 5 EEBDRM COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1NC(N)=O ZINC000436885615 315009428 /nfs/dbraw/zinc/00/94/28/315009428.db2.gz HQWHPQCYRVZGQK-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM O=C(NCCc1c[nH]c2ncccc12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436904247 315011014 /nfs/dbraw/zinc/01/10/14/315011014.db2.gz YHJHBPJEYMPLIA-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM CC[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000436968784 315017939 /nfs/dbraw/zinc/01/79/39/315017939.db2.gz XCWCRLYUBYTEPR-KBPBESRZSA-N -1 0 349.387 2.162 20 5 EEBDRM O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436989490 315020834 /nfs/dbraw/zinc/02/08/34/315020834.db2.gz MIVZONQACIZRCL-GFCCVEGCSA-N -1 0 348.330 2.021 20 5 EEBDRM COc1ccnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000089641955 441566516 /nfs/dbraw/zinc/56/65/16/441566516.db2.gz FMNSTQWYWSDMDD-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C(Nc1cccc(-c2c[nH]nn2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000443678121 315254524 /nfs/dbraw/zinc/25/45/24/315254524.db2.gz VOZLXSPNUKPIEE-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM Cc1ccn2cc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])nc2c1 ZINC000443974570 315267189 /nfs/dbraw/zinc/26/71/89/315267189.db2.gz VBLNXQNAVFOZQK-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000458307527 315696432 /nfs/dbraw/zinc/69/64/32/315696432.db2.gz HCYOSTVNZDXCCR-DZGCQCFKSA-N -1 0 334.372 2.314 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)OC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000496628006 316200620 /nfs/dbraw/zinc/20/06/20/316200620.db2.gz UEBDPNBTWFQPLH-UFBFGSQYSA-N -1 0 325.321 2.010 20 5 EEBDRM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])o1 ZINC000525186693 317043900 /nfs/dbraw/zinc/04/39/00/317043900.db2.gz KVNVTRRTQVTYRH-GXSJLCMTSA-N -1 0 337.357 2.185 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1noc(C(C)C)n1 ZINC000540894706 318081902 /nfs/dbraw/zinc/08/19/02/318081902.db2.gz JGUALVALHFCJRU-UHFFFAOYSA-N -1 0 326.334 2.210 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCCC1 ZINC000544554055 318190940 /nfs/dbraw/zinc/19/09/40/318190940.db2.gz DDDXOCBVBYMQKT-CQSZACIVSA-N -1 0 336.344 2.152 20 5 EEBDRM C[C@H](CCCCC(=O)[O-])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000548228883 318366671 /nfs/dbraw/zinc/36/66/71/318366671.db2.gz LFKXDPZMXZSKGL-LLVKDONJSA-N -1 0 344.389 2.048 20 5 EEBDRM CC(C)[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000566235167 319263686 /nfs/dbraw/zinc/26/36/86/319263686.db2.gz NUSXLCZEGSZRIY-OAHLLOKOSA-N -1 0 349.387 2.037 20 5 EEBDRM COC(=O)[C@@H](CC1CC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566858066 319327537 /nfs/dbraw/zinc/32/75/37/319327537.db2.gz UDMFNAYWPYNUFU-SNVBAGLBSA-N -1 0 342.735 2.025 20 5 EEBDRM O=C([O-])c1cnc(NCc2cnn(CC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000567977059 319440256 /nfs/dbraw/zinc/44/02/56/319440256.db2.gz YOAZYAAWIVAVKU-UHFFFAOYSA-N -1 0 345.237 2.059 20 5 EEBDRM CCC[C@@](C)(NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000568386946 319483930 /nfs/dbraw/zinc/48/39/30/319483930.db2.gz GOBMKSJIQXOUBU-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(O)cc1 ZINC000571360479 319747659 /nfs/dbraw/zinc/74/76/59/319747659.db2.gz TWPYJXWVQQPHEC-CYBMUJFWSA-N -1 0 349.274 2.387 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)[C@@H](O)Cc2ccccc2)n1 ZINC000576351160 320164305 /nfs/dbraw/zinc/16/43/05/320164305.db2.gz RXGVMOWMSOCYKO-FZMZJTMJSA-N -1 0 345.355 2.400 20 5 EEBDRM COC(=O)[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])c2ccccc2O1 ZINC000576651890 320192369 /nfs/dbraw/zinc/19/23/69/320192369.db2.gz WDFMAEBNXGOURJ-INIZCTEOSA-N -1 0 344.323 2.241 20 5 EEBDRM C[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000577283477 320247192 /nfs/dbraw/zinc/24/71/92/320247192.db2.gz YWCLPEAMAUHQLR-ZWNOBZJWSA-N -1 0 331.328 2.092 20 5 EEBDRM C[NH+](C)[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccsc1 ZINC000578445877 320315047 /nfs/dbraw/zinc/31/50/47/320315047.db2.gz XDGHRCJVSGSHNT-GFCCVEGCSA-N -1 0 336.373 2.464 20 5 EEBDRM O=C([O-])Cc1ccc(NCCCOC[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000580569656 324090580 /nfs/dbraw/zinc/09/05/80/324090580.db2.gz ZWORHWJZDQDNEG-ZDUSSCGKSA-N -1 0 338.360 2.077 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000581009768 324168358 /nfs/dbraw/zinc/16/83/58/324168358.db2.gz WEMUZBCBEIDNOF-VIFPVBQESA-N -1 0 344.389 2.314 20 5 EEBDRM COc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC000325923022 465033426 /nfs/dbraw/zinc/03/34/26/465033426.db2.gz FGDWAQJWALKQGD-AWEZNQCLSA-N -1 0 330.296 2.159 20 5 EEBDRM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000339086288 465073384 /nfs/dbraw/zinc/07/33/84/465073384.db2.gz ZXUMWMTZZKNFQS-NSHDSACASA-N -1 0 340.343 2.127 20 5 EEBDRM O=C(NCc1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077169103 462946242 /nfs/dbraw/zinc/94/62/42/462946242.db2.gz PKROOQKKCUUWID-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM C[C@H]1Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2NC1=O ZINC000029770914 463272491 /nfs/dbraw/zinc/27/24/91/463272491.db2.gz NLJLTFLOKMNDDN-MRVPVSSYSA-N -1 0 343.295 2.272 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(C(C)C)o1 ZINC000163234963 463573707 /nfs/dbraw/zinc/57/37/07/463573707.db2.gz USFMAKCOSNOHFX-UHFFFAOYSA-N -1 0 326.334 2.210 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C(C)C)o1 ZINC000163234071 463573916 /nfs/dbraw/zinc/57/39/16/463573916.db2.gz QZDQTZZLIWCGLB-UHFFFAOYSA-N -1 0 326.334 2.210 20 5 EEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000164816347 463633943 /nfs/dbraw/zinc/63/39/43/463633943.db2.gz HSCAAMJJEVFDEA-QMMMGPOBSA-N -1 0 334.332 2.472 20 5 EEBDRM Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000166190454 463652394 /nfs/dbraw/zinc/65/23/94/463652394.db2.gz WTVMGVMKWHNKHN-LLVKDONJSA-N -1 0 343.339 2.366 20 5 EEBDRM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000171082072 463779772 /nfs/dbraw/zinc/77/97/72/463779772.db2.gz PFAZDXMMRXMMJU-UHFFFAOYSA-N -1 0 345.764 2.332 20 5 EEBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000261669244 463821773 /nfs/dbraw/zinc/82/17/73/463821773.db2.gz LNONIZLEZCXNLI-GFCCVEGCSA-N -1 0 336.344 2.220 20 5 EEBDRM O=C(Nc1cnn(Cc2ccccn2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000178221838 463863744 /nfs/dbraw/zinc/86/37/44/463863744.db2.gz URAKCKVEMUCATF-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM CCC[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000262198449 463970254 /nfs/dbraw/zinc/97/02/54/463970254.db2.gz KFQWYVITVNVQDB-NSHDSACASA-N -1 0 346.343 2.011 20 5 EEBDRM Nc1c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000262367311 464012077 /nfs/dbraw/zinc/01/20/77/464012077.db2.gz JNVSBOZHSNSWIC-NDMJEZRESA-N -1 0 333.344 2.035 20 5 EEBDRM CSc1ccc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263321248 464084427 /nfs/dbraw/zinc/08/44/27/464084427.db2.gz JQJPUNUEJDLMPG-KOLCDFICSA-N -1 0 338.385 2.500 20 5 EEBDRM Cn1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])n2)cn1 ZINC000187100174 464098615 /nfs/dbraw/zinc/09/86/15/464098615.db2.gz ZSUWIPLLZZZAIZ-UHFFFAOYSA-N -1 0 345.340 2.410 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000263447987 464107653 /nfs/dbraw/zinc/10/76/53/464107653.db2.gz ZHASRZFWGOUJEG-GFCCVEGCSA-N -1 0 328.328 2.467 20 5 EEBDRM CC(C)CN(CCC(=O)[O-])C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236747476 464222788 /nfs/dbraw/zinc/22/27/88/464222788.db2.gz UVOVOEHWQRIENM-UHFFFAOYSA-N -1 0 334.332 2.044 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000236942125 464241365 /nfs/dbraw/zinc/24/13/65/464241365.db2.gz CKCSYDLDPWMRPB-NHYWBVRUSA-N -1 0 337.376 2.402 20 5 EEBDRM COCc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000285122668 464459854 /nfs/dbraw/zinc/45/98/54/464459854.db2.gz PJYKTQSXUCUYRX-UHFFFAOYSA-N -1 0 343.386 2.307 20 5 EEBDRM CCC(=O)c1ccc(N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c([N+](=O)[O-])c1 ZINC000285714565 464668894 /nfs/dbraw/zinc/66/88/94/464668894.db2.gz RVDHTIDDDHWACI-LLVKDONJSA-N -1 0 346.343 2.248 20 5 EEBDRM O=C(CCn1c(=O)oc2ccccc21)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183908724 464925882 /nfs/dbraw/zinc/92/58/82/464925882.db2.gz LDCNLCQJTIHNDE-UHFFFAOYSA-N -1 0 343.295 2.237 20 5 EEBDRM COCC(C)(C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000286628319 464984440 /nfs/dbraw/zinc/98/44/40/464984440.db2.gz IJQXEKLEKLEOAS-UHFFFAOYSA-N -1 0 348.396 2.465 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1coc(C2CCOCC2)n1 ZINC000348871748 465850750 /nfs/dbraw/zinc/85/07/50/465850750.db2.gz MHXHQDMULYUGSJ-UHFFFAOYSA-N -1 0 333.300 2.435 20 5 EEBDRM COc1cccc2c1C[C@@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000580079840 468464101 /nfs/dbraw/zinc/46/41/01/468464101.db2.gz FYCBSIUYWDMFKK-NSHDSACASA-N -1 0 329.312 2.276 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC([C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000597162139 468465910 /nfs/dbraw/zinc/46/59/10/468465910.db2.gz RUVNSYGUJPXPKT-LBPRGKRZSA-N -1 0 348.355 2.182 20 5 EEBDRM CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000357549157 466125250 /nfs/dbraw/zinc/12/52/50/466125250.db2.gz KTXBXXSKMFXJEZ-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM C[C@H]1Oc2c(cccc2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])NC1=O ZINC000340551072 466167657 /nfs/dbraw/zinc/16/76/57/466167657.db2.gz ZRWNLETZGQINIF-MRVPVSSYSA-N -1 0 343.295 2.272 20 5 EEBDRM O=C([O-])c1cccc(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000347377871 466598549 /nfs/dbraw/zinc/59/85/49/466598549.db2.gz UGHKBVMZSBFEFH-UHFFFAOYSA-N -1 0 328.324 2.194 20 5 EEBDRM COc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1 ZINC000321142748 466618924 /nfs/dbraw/zinc/61/89/24/466618924.db2.gz UJBQELTUUGUMRF-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM COC(=O)c1cc(OC)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432487183 467244676 /nfs/dbraw/zinc/24/46/76/467244676.db2.gz BXKVABUNERMMGC-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM COCC1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC000567978454 468248014 /nfs/dbraw/zinc/24/80/14/468248014.db2.gz GAFVAQJNZMFBLU-UHFFFAOYSA-N -1 0 338.360 2.077 20 5 EEBDRM CC(C)c1ncc(CN(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])cn1 ZINC000567978149 468248277 /nfs/dbraw/zinc/24/82/77/468248277.db2.gz ZAARAZHJUCGKAC-UHFFFAOYSA-N -1 0 331.332 2.238 20 5 EEBDRM CCO[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000582488434 468548194 /nfs/dbraw/zinc/54/81/94/468548194.db2.gz FOGSMMLZJBPGAT-YUELXQCFSA-N -1 0 346.343 2.320 20 5 EEBDRM Cn1nc(C2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000600427565 468554327 /nfs/dbraw/zinc/55/43/27/468554327.db2.gz ZSTHTURWKKNQAY-UHFFFAOYSA-N -1 0 346.343 2.180 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000570615076 468665095 /nfs/dbraw/zinc/66/50/95/468665095.db2.gz IHWNKKMRIIOFFR-GFCCVEGCSA-N -1 0 335.360 2.034 20 5 EEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C(=O)[O-])nn1C ZINC000600865878 468670352 /nfs/dbraw/zinc/67/03/52/468670352.db2.gz FLRIKLVSQMCOFP-UHFFFAOYSA-N -1 0 346.343 2.077 20 5 EEBDRM Cc1nc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000600875253 468673055 /nfs/dbraw/zinc/67/30/55/468673055.db2.gz KOYYKOADNXNVDT-HNNXBMFYSA-N -1 0 349.368 2.398 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000592353476 468681194 /nfs/dbraw/zinc/68/11/94/468681194.db2.gz BZPARIAEENUFSR-UHFFFAOYSA-N -1 0 339.377 2.284 20 5 EEBDRM CC(C)Cc1nc(=NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s[n-]1 ZINC000598191664 468790739 /nfs/dbraw/zinc/79/07/39/468790739.db2.gz QWKIAMLNUOOYGU-UHFFFAOYSA-N -1 0 338.393 2.166 20 5 EEBDRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000595250344 468793632 /nfs/dbraw/zinc/79/36/32/468793632.db2.gz LZZGELZTOWHKHV-YOEHRIQHSA-N -1 0 345.355 2.309 20 5 EEBDRM O=C([O-])C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000595251004 468793718 /nfs/dbraw/zinc/79/37/18/468793718.db2.gz NANOATQOZKGTHV-NSHDSACASA-N -1 0 340.763 2.408 20 5 EEBDRM COc1cc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)cc([N+](=O)[O-])c1C ZINC000595253068 468793831 /nfs/dbraw/zinc/79/38/31/468793831.db2.gz VHWNDCSUEOINNV-LBPRGKRZSA-N -1 0 336.344 2.143 20 5 EEBDRM COc1cccc2c1CN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000592972908 468832072 /nfs/dbraw/zinc/83/20/72/468832072.db2.gz AAHJZALZMWJCNJ-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM CC(C)[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccnn1C ZINC000592978413 468833085 /nfs/dbraw/zinc/83/30/85/468833085.db2.gz AVCFNSDNLHATMD-SNVBAGLBSA-N -1 0 333.348 2.273 20 5 EEBDRM Cn1ccnc1[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000592980159 468833463 /nfs/dbraw/zinc/83/34/63/468833463.db2.gz HMQVXOBGUHAFTJ-RISCZKNCSA-N -1 0 346.343 2.359 20 5 EEBDRM O=C([O-])c1ccc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 ZINC000592984545 468834548 /nfs/dbraw/zinc/83/45/48/468834548.db2.gz PDTZNMHBCFVFAB-UHFFFAOYSA-N -1 0 334.357 2.076 20 5 EEBDRM O=C(NC[C@@H]1CCN1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598510192 468894154 /nfs/dbraw/zinc/89/41/54/468894154.db2.gz OETXHCWRTISRMO-HNNXBMFYSA-N -1 0 341.367 2.305 20 5 EEBDRM CCOc1cnc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000614637085 469001354 /nfs/dbraw/zinc/00/13/54/469001354.db2.gz KZMLXINFSCSEHX-UHFFFAOYSA-N -1 0 338.707 2.395 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCOCc2ccccc2)n1 ZINC000573209765 469083445 /nfs/dbraw/zinc/08/34/45/469083445.db2.gz NNAKJEUODVJGKL-UHFFFAOYSA-N -1 0 331.328 2.625 20 5 EEBDRM CN(CC(=O)N(C)C1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000610874249 469099348 /nfs/dbraw/zinc/09/93/48/469099348.db2.gz YKSDBZXXKVPXAS-UHFFFAOYSA-N -1 0 349.387 2.164 20 5 EEBDRM Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)c2cccc([N+](=O)[O-])c2n1 ZINC000595977792 469105231 /nfs/dbraw/zinc/10/52/31/469105231.db2.gz IEXIZIBTZJCDRQ-MRCXROJRSA-N -1 0 331.328 2.087 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000611463912 469255123 /nfs/dbraw/zinc/25/51/23/469255123.db2.gz FFXBHIZCWRORKP-HNNXBMFYSA-N -1 0 332.287 2.219 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000611535405 469274288 /nfs/dbraw/zinc/27/42/88/469274288.db2.gz MLGYPLUOBSXZSZ-CPCISQLKSA-N -1 0 334.250 2.092 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000612550064 469494022 /nfs/dbraw/zinc/49/40/22/469494022.db2.gz IWSPNDGLUZICMP-RDDDGLTNSA-N -1 0 334.250 2.092 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000619643672 469656609 /nfs/dbraw/zinc/65/66/09/469656609.db2.gz DNVADEDHNCVJIT-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM CC(C)(CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000263052261 535031491 /nfs/dbraw/zinc/03/14/91/535031491.db2.gz QBEVNJWBGTWBPS-UHFFFAOYSA-N -1 0 333.344 2.236 20 5 EEBDRM CN(Cc1nc2ccccc2n1C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738007189 576083138 /nfs/dbraw/zinc/08/31/38/576083138.db2.gz KHEGWVRBWLCPKJ-UHFFFAOYSA-N -1 0 341.327 2.211 20 5 EEBDRM O=C([O-])c1ccc(Cl)cc1OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000739268961 576207082 /nfs/dbraw/zinc/20/70/82/576207082.db2.gz RBWBHVHFZLMYRP-UHFFFAOYSA-N -1 0 339.691 2.139 20 5 EEBDRM Cc1[nH]nc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000738248685 576247759 /nfs/dbraw/zinc/24/77/59/576247759.db2.gz IKNWUOVKPYMJDD-UHFFFAOYSA-N -1 0 332.316 2.241 20 5 EEBDRM Cc1cc(C(=O)NCCc2ccc(C(=O)[O-])cc2)c(N)c([N+](=O)[O-])c1 ZINC000738331856 576319981 /nfs/dbraw/zinc/31/99/81/576319981.db2.gz AFERHJOKVOOCEB-UHFFFAOYSA-N -1 0 343.339 2.156 20 5 EEBDRM CCOC(=O)C1CCC(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000737864928 577110704 /nfs/dbraw/zinc/11/07/04/577110704.db2.gz URPOPRMPKOTXGH-UHFFFAOYSA-N -1 0 337.332 2.222 20 5 EEBDRM CNC(=O)c1cc(C)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000773124526 577317498 /nfs/dbraw/zinc/31/74/98/577317498.db2.gz BCDWEYKFYQPONT-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM CC(C)[C@@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000774082061 577381989 /nfs/dbraw/zinc/38/19/89/577381989.db2.gz ANZZGOHDIKPYGG-JOYOIKCWSA-N -1 0 332.403 2.143 20 5 EEBDRM Nc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000776624327 577464777 /nfs/dbraw/zinc/46/47/77/577464777.db2.gz FEYHXQJNFRBCLF-HNNXBMFYSA-N -1 0 341.323 2.001 20 5 EEBDRM CC(C)(C)OC(=O)N1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000765331541 577499336 /nfs/dbraw/zinc/49/93/36/577499336.db2.gz WWQUPBJSGKBMQE-UHFFFAOYSA-N -1 0 337.332 2.298 20 5 EEBDRM O=C(O[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000767015968 577528903 /nfs/dbraw/zinc/52/89/03/577528903.db2.gz HOLWURMUVVGPOI-HUUCEWRRSA-N -1 0 346.339 2.454 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000767050522 577529731 /nfs/dbraw/zinc/52/97/31/577529731.db2.gz IJISPTPGHAEGRZ-INIZCTEOSA-N -1 0 333.344 2.309 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000770403107 577595515 /nfs/dbraw/zinc/59/55/15/577595515.db2.gz YACQFGAJVRTXCL-UHFFFAOYSA-N -1 0 329.268 2.412 20 5 EEBDRM COc1ccc(C=O)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000770855216 577604849 /nfs/dbraw/zinc/60/48/49/577604849.db2.gz AAMFPTZTYYKJTI-UHFFFAOYSA-N -1 0 346.295 2.139 20 5 EEBDRM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1cccc([N+](=O)[O-])c1[O-] ZINC000763224833 577717208 /nfs/dbraw/zinc/71/72/08/577717208.db2.gz PUMOQYJJJAHOSD-IRUJWGPZSA-N -1 0 340.426 2.410 20 5 EEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CCCC2 ZINC000747481348 577945237 /nfs/dbraw/zinc/94/52/37/577945237.db2.gz YTKVSHXWMAFSRI-ZDUSSCGKSA-N -1 0 338.385 2.121 20 5 EEBDRM O=C([O-])c1ccnc(Sc2ncn(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000738695220 578024021 /nfs/dbraw/zinc/02/40/21/578024021.db2.gz FQNLLNIZVQEUKI-UHFFFAOYSA-N -1 0 343.324 2.420 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738887520 578030007 /nfs/dbraw/zinc/03/00/07/578030007.db2.gz BQJWTHJIUHKJJP-CQSZACIVSA-N -1 0 329.312 2.196 20 5 EEBDRM Nc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000739202901 578043815 /nfs/dbraw/zinc/04/38/15/578043815.db2.gz CBGSSPZETPCNSS-UHFFFAOYSA-N -1 0 346.255 2.036 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000739346014 578049299 /nfs/dbraw/zinc/04/92/99/578049299.db2.gz WVDLMXUVVSMDKT-UHFFFAOYSA-N -1 0 345.267 2.382 20 5 EEBDRM O=C([O-])COc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000739833937 578069358 /nfs/dbraw/zinc/06/93/58/578069358.db2.gz BKXLUTXMENRPCF-UHFFFAOYSA-N -1 0 345.311 2.380 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)cc([N+](=O)[O-])c1 ZINC000740081153 578080126 /nfs/dbraw/zinc/08/01/26/578080126.db2.gz MLDHRKNSVAUSAH-CQSZACIVSA-N -1 0 346.270 2.374 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cccc3[nH]ncc32)cc([N+](=O)[O-])c1 ZINC000740087715 578080322 /nfs/dbraw/zinc/08/03/22/578080322.db2.gz GYHJHZDNQXBHSU-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM CC[C@@](C)(NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736860888 578227178 /nfs/dbraw/zinc/22/71/78/578227178.db2.gz CKAOTCDPKTZAGI-CQSZACIVSA-N -1 0 342.373 2.308 20 5 EEBDRM CN(C)c1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccn1 ZINC000737373690 578253481 /nfs/dbraw/zinc/25/34/81/578253481.db2.gz FNPUAOXQASHJRC-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cc1 ZINC000737965423 578274810 /nfs/dbraw/zinc/27/48/10/578274810.db2.gz WDFNAFWPUWCURP-CQSZACIVSA-N -1 0 348.286 2.298 20 5 EEBDRM C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000828199843 600825678 /nfs/dbraw/zinc/82/56/78/600825678.db2.gz AJERFBZTSUJNMN-ASUKLHCRSA-N -1 0 345.355 2.114 20 5 EEBDRM O=C([O-])[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000833117572 600915251 /nfs/dbraw/zinc/91/52/51/600915251.db2.gz RKHQSKIYWCMLCG-CQSZACIVSA-N -1 0 349.730 2.128 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000833159885 601685405 /nfs/dbraw/zinc/68/54/05/601685405.db2.gz XQCFIIKAZRDFCX-GFCCVEGCSA-N -1 0 331.687 2.279 20 5 EEBDRM CO[C@@H]1C[C@@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000831532627 601830235 /nfs/dbraw/zinc/83/02/35/601830235.db2.gz WHDUXODMCLBJKQ-GHMZBOCLSA-N -1 0 339.304 2.427 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOc3cccc(F)c32)cc([N+](=O)[O-])c1 ZINC000833295942 602298523 /nfs/dbraw/zinc/29/85/23/602298523.db2.gz GZEYMUSFJGSVCZ-UHFFFAOYSA-N -1 0 346.270 2.471 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000830398058 602309308 /nfs/dbraw/zinc/30/93/08/602309308.db2.gz DTLXJYAVWZVGGG-UHFFFAOYSA-N -1 0 326.692 2.312 20 5 EEBDRM Cc1cccc(OS(=O)(=O)c2ccc(C(=O)[O-])s2)c1[N+](=O)[O-] ZINC000833753699 604530173 /nfs/dbraw/zinc/53/01/73/604530173.db2.gz WBSAHENSSDYQTQ-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM CC[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000833644680 605016138 /nfs/dbraw/zinc/01/61/38/605016138.db2.gz DCGICHCAULWRTE-JTQLQIEISA-N -1 0 346.133 2.306 20 5 EEBDRM C[C@H](NC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000833522687 605048931 /nfs/dbraw/zinc/04/89/31/605048931.db2.gz PYQAPDFSDHHBJY-QWRGUYRKSA-N -1 0 336.348 2.097 20 5 EEBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820513083 606397927 /nfs/dbraw/zinc/39/79/27/606397927.db2.gz UDMCOGCFUZSXTR-QMMMGPOBSA-N -1 0 328.288 2.021 20 5 EEBDRM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179448277 679831158 /nfs/dbraw/zinc/83/11/58/679831158.db2.gz WORSIRJWYMLCHW-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM CCCC[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261813061 681524694 /nfs/dbraw/zinc/52/46/94/681524694.db2.gz ZXNBINAVDRMKGI-LLVKDONJSA-N -1 0 330.362 2.054 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C(=O)[O-])C1 ZINC000263033045 688917086 /nfs/dbraw/zinc/91/70/86/688917086.db2.gz ORODGLLKEZJKCI-NOZJJQNGSA-N -1 0 331.328 2.401 20 5 EEBDRM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000263358770 689722368 /nfs/dbraw/zinc/72/23/68/689722368.db2.gz RMKUPYQTROUPTP-NQBHXWOUSA-N -1 0 335.360 2.408 20 5 EEBDRM COc1cc(CCNc2cccc(C(=O)[O-])n2)c([N+](=O)[O-])cc1OC ZINC000263390688 689766404 /nfs/dbraw/zinc/76/64/04/689766404.db2.gz GETJQJOIVVIZOL-UHFFFAOYSA-N -1 0 347.327 2.360 20 5 EEBDRM Cc1cccc(C(=O)NC/C=C\CNc2cc[nH]c(=O)c2[N+](=O)[O-])c1 ZINC001107019990 1192678615 /nfs/dbraw/zinc/67/86/15/1192678615.db2.gz ZVWWXFQJYYXTFD-IHWYPQMZSA-N -1 0 342.355 2.402 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H](Cc2nccs2)C1 ZINC000890219853 1202233411 /nfs/dbraw/zinc/23/34/11/1202233411.db2.gz WLLLQLPNINSOHM-SNVBAGLBSA-N -1 0 333.369 2.462 20 5 EEBDRM CCC(CC)C(=O)N[C@H]1C[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001114749741 1215198369 /nfs/dbraw/zinc/19/83/69/1215198369.db2.gz LEAINDCEPDXLLP-UMSPYCQHSA-N -1 0 336.392 2.438 20 5 EEBDRM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CO2 ZINC000120008996 1229649293 /nfs/dbraw/zinc/64/92/93/1229649293.db2.gz NLEBCQQHDBYNGK-NSHDSACASA-N -1 0 340.382 2.377 20 5 EEBDRM O=C([O-])[C@H]1COCCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000901989832 1236790397 /nfs/dbraw/zinc/79/03/97/1236790397.db2.gz ZCKZWVOWLTWVGA-SNVBAGLBSA-N -1 0 335.143 2.187 20 5 EEBDRM C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886533 1277380226 /nfs/dbraw/zinc/38/02/26/1277380226.db2.gz YHSUKUVFGWZKCK-ONGXEEELSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CC=CCC1 ZINC000850886430 1277380467 /nfs/dbraw/zinc/38/04/67/1277380467.db2.gz VQACALIAMMAUKE-AWEZNQCLSA-N -1 0 342.348 2.285 20 5 EEBDRM C[C@@H](CCNC(=O)OC(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000860956299 1295189948 /nfs/dbraw/zinc/18/99/48/1295189948.db2.gz DIEPEAUSLNBXBC-VIFPVBQESA-N -1 0 327.337 2.383 20 5 EEBDRM CCCCOC[C@H](C)OC[C@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229377298 1302754776 /nfs/dbraw/zinc/75/47/76/1302754776.db2.gz ATYNBIKVASDOFJ-QWRGUYRKSA-N -1 0 343.380 2.388 20 5 EEBDRM Cc1cc(=O)c([N+](=O)[O-])c(OC2CN(C(=O)OC(C)(C)C)C2)[n-]1 ZINC001231261226 1303708709 /nfs/dbraw/zinc/70/87/09/1303708709.db2.gz ZNJRBBYHOQUBMF-UHFFFAOYSA-N -1 0 325.321 2.002 20 5 EEBDRM COC(=O)[C@@](C)(COC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1 ZINC000783147211 1304196686 /nfs/dbraw/zinc/19/66/86/1304196686.db2.gz LIRJXEOCGSHLNL-INIZCTEOSA-N -1 0 332.312 2.211 20 5 EEBDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000798897080 1305114265 /nfs/dbraw/zinc/11/42/65/1305114265.db2.gz MPXXYDNMTXENHO-UHFFFAOYSA-N -1 0 348.380 2.092 20 5 EEBDRM CC(C)[C@H](CO)O[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000836893017 1315038800 /nfs/dbraw/zinc/03/88/00/1315038800.db2.gz VKYMFXVJMPUJBF-ZDUSSCGKSA-N -1 0 328.340 2.076 20 5 EEBDRM CC(C)CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000842297586 1315684778 /nfs/dbraw/zinc/68/47/78/1315684778.db2.gz BQBLKNLXEZVVKK-UHFFFAOYSA-N -1 0 344.389 2.098 20 5 EEBDRM O=c1cc(CNc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)o[n-]1 ZINC001158564856 1319306905 /nfs/dbraw/zinc/30/69/05/1319306905.db2.gz PJTIQGAMVFTDGW-UHFFFAOYSA-N -1 0 331.263 2.497 20 5 EEBDRM Cc1cnc([N-]C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)c(=O)[nH]1 ZINC001162713738 1320937167 /nfs/dbraw/zinc/93/71/67/1320937167.db2.gz PCPKMQDRKFKQQP-UHFFFAOYSA-N -1 0 331.666 2.196 20 5 EEBDRM Nc1cc2nc3ccccc3n(-c3ccc(C(=O)[O-])nc3)c-2cc1=O ZINC001210177011 1325192341 /nfs/dbraw/zinc/19/23/41/1325192341.db2.gz MDYIQNQITKJUFT-UHFFFAOYSA-N -1 0 332.319 2.166 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001601213766 1350232686 /nfs/dbraw/zinc/23/26/86/1350232686.db2.gz LNFLDWVEAOSCGG-LBPRGKRZSA-N -1 0 339.323 2.079 20 5 EEBDRM O=C([O-])[C@H](O)C1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001601689795 1350338318 /nfs/dbraw/zinc/33/83/18/1350338318.db2.gz XAVBYTWXXTWDDK-GFCCVEGCSA-N -1 0 330.287 2.194 20 5 EEBDRM O=C([O-])[C@H]1C[C@H](O)CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001601768061 1350359616 /nfs/dbraw/zinc/35/96/16/1350359616.db2.gz GWTBTMCAZBUPEC-WPRPVWTQSA-N -1 0 349.170 2.169 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2CC[C@H](c3nnc[nH]3)C2)ccc1[N+](=O)[O-] ZINC001602234273 1350472362 /nfs/dbraw/zinc/47/23/62/1350472362.db2.gz ZHENPCAEMZRYOR-ZETCQYMHSA-N -1 0 337.723 2.058 20 5 EEBDRM C[C@@](CCF)(NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604139949 1350870925 /nfs/dbraw/zinc/87/09/25/1350870925.db2.gz MVNGWEBXEKRXFX-ZDUSSCGKSA-N -1 0 332.715 2.110 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]2C2CCCC2)ccc1[O-] ZINC001309949156 1331648911 /nfs/dbraw/zinc/64/89/11/1331648911.db2.gz WZTBRUIHKYELCG-GFCCVEGCSA-N -1 0 326.374 2.254 20 5 EEBDRM O=C([O-])CC1CC(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001608691010 1351742463 /nfs/dbraw/zinc/74/24/63/1351742463.db2.gz OHQFSQSLUWBISN-UHFFFAOYSA-N -1 0 326.736 2.160 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)c[nH]1 ZINC001608862784 1351780745 /nfs/dbraw/zinc/78/07/45/1351780745.db2.gz GBEJEZQSZUUTMH-UHFFFAOYSA-N -1 0 346.704 2.042 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2ccc3ncccc3c2)c1=O ZINC001608863520 1351780824 /nfs/dbraw/zinc/78/08/24/1351780824.db2.gz HMLKKUVDXRQZAT-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC001608884365 1351786013 /nfs/dbraw/zinc/78/60/13/1351786013.db2.gz NGZCNJOUTAWGTR-UHFFFAOYSA-N -1 0 341.279 2.364 20 5 EEBDRM O=[N+]([O-])c1ccc2c(c1)CN(Cc1c([O-])nnn1-c1ccccc1)C2 ZINC001318763654 1332591774 /nfs/dbraw/zinc/59/17/74/1332591774.db2.gz ACNUYLOCGYTMOE-UHFFFAOYSA-N -1 0 337.339 2.397 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(c3ccccn3)CC2)n1 ZINC001608914890 1351793552 /nfs/dbraw/zinc/79/35/52/1351793552.db2.gz OVDJJEQRIOTVML-UHFFFAOYSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001608975035 1351806102 /nfs/dbraw/zinc/80/61/02/1351806102.db2.gz RNWRYJDCGNBUIW-NEPJUHHUSA-N -1 0 335.360 2.331 20 5 EEBDRM O=C([O-])[C@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1F ZINC001609012551 1351814245 /nfs/dbraw/zinc/81/42/45/1351814245.db2.gz GRNIISMBGWFWQT-CYBMUJFWSA-N -1 0 335.243 2.422 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC001324849216 1333772632 /nfs/dbraw/zinc/77/26/32/1333772632.db2.gz PLRLTLNKLCKURW-GRYCIOLGSA-N -1 0 340.401 2.472 20 5 EEBDRM CC(C)(C[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1)C(N)=O ZINC001609673903 1352055757 /nfs/dbraw/zinc/05/57/57/1352055757.db2.gz BJWJDUIIBZYGNZ-NSHDSACASA-N -1 0 349.387 2.411 20 5 EEBDRM COCC1(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC001610250100 1352194249 /nfs/dbraw/zinc/19/42/49/1352194249.db2.gz HABPHFLFKQFUFK-UHFFFAOYSA-N -1 0 336.344 2.230 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@]3(CCCO3)[C@@H]2C2CC2)n1 ZINC001610438662 1352222152 /nfs/dbraw/zinc/22/21/52/1352222152.db2.gz PPXDTHQSAIEMIZ-XJKSGUPXSA-N -1 0 333.344 2.144 20 5 EEBDRM Nc1ccc(C(=O)OCCOc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001610649281 1352257341 /nfs/dbraw/zinc/25/73/41/1352257341.db2.gz SMRWLQVYCCRUIO-UHFFFAOYSA-N -1 0 346.295 2.111 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001610670600 1352259362 /nfs/dbraw/zinc/25/93/62/1352259362.db2.gz RWKHWBODHZHIRU-UHFFFAOYSA-N -1 0 348.286 2.127 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001610794861 1352275704 /nfs/dbraw/zinc/27/57/04/1352275704.db2.gz KUYGUNXDBUNSDZ-UHFFFAOYSA-N -1 0 343.291 2.262 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)nc1 ZINC001610826921 1352281430 /nfs/dbraw/zinc/28/14/30/1352281430.db2.gz YZXGNCYUCHOQCU-UHFFFAOYSA-N -1 0 340.295 2.099 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCO[C@@H]2CCCCO2)n1 ZINC001610841588 1352283671 /nfs/dbraw/zinc/28/36/71/1352283671.db2.gz UVCPXRWBADFWOU-GFCCVEGCSA-N -1 0 325.321 2.033 20 5 EEBDRM O=C([O-])c1coc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001610870945 1352288469 /nfs/dbraw/zinc/28/84/69/1352288469.db2.gz QVLJPPZGENEUEH-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC001589532351 1349001253 /nfs/dbraw/zinc/00/12/53/1349001253.db2.gz QHCAXSNJHCKRRZ-MRVPVSSYSA-N -1 0 330.300 2.012 20 5 EEBDRM Cc1cc(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)ccc1[N+](=O)[O-] ZINC001600088469 1349968704 /nfs/dbraw/zinc/96/87/04/1349968704.db2.gz XTJHVJXANHJWRS-UHFFFAOYSA-N -1 0 333.300 2.255 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cc(C(=O)[O-])on1 ZINC001600216501 1349995243 /nfs/dbraw/zinc/99/52/43/1349995243.db2.gz GVDQWULMVADBSQ-UHFFFAOYSA-N -1 0 325.664 2.495 20 5 EEBDRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC001600344532 1350024906 /nfs/dbraw/zinc/02/49/06/1350024906.db2.gz LVHHSIQCKXTISC-UHFFFAOYSA-N -1 0 346.295 2.325 20 5 EEBDRM Cc1ccc(C(=O)[O-])c2c1N(CCn1cc([N+](=O)[O-])cn1)CCC2 ZINC001600349734 1350025956 /nfs/dbraw/zinc/02/59/56/1350025956.db2.gz LZZHVOGKIGEKNA-UHFFFAOYSA-N -1 0 330.344 2.251 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(C(=O)[O-])cc3)n2)n1C ZINC001600716995 1350120606 /nfs/dbraw/zinc/12/06/06/1350120606.db2.gz FPZOBVRWVWQNAD-UHFFFAOYSA-N -1 0 329.272 2.052 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(C(=O)OCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001600971163 1350179629 /nfs/dbraw/zinc/17/96/29/1350179629.db2.gz WPJKMAAKSRZHGQ-UHFFFAOYSA-N -1 0 339.691 2.037 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)C[C@@H]2CCCC[C@H]2O)c1 ZINC001601352295 1350263996 /nfs/dbraw/zinc/26/39/96/1350263996.db2.gz OTJMVZUKDBKLBQ-IINYFYTJSA-N -1 0 337.328 2.277 20 5 EEBDRM O=C([O-])C12CC(C(=O)OCCCOc3ccc([N+](=O)[O-])cc3)(C1)C2 ZINC001601729786 1350350085 /nfs/dbraw/zinc/35/00/85/1350350085.db2.gz YOUMTHGQVUWZLG-UHFFFAOYSA-N -1 0 335.312 2.162 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001601855669 1350381255 /nfs/dbraw/zinc/38/12/55/1350381255.db2.gz FBYAQWZNWBJEPP-QMMMGPOBSA-N -1 0 344.776 2.138 20 5 EEBDRM O=C([O-])CC1(COC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001601922106 1350397992 /nfs/dbraw/zinc/39/79/92/1350397992.db2.gz LGMNNNGSRDBTMT-UHFFFAOYSA-N -1 0 346.295 2.260 20 5 EEBDRM O=C([O-])CCN(C[C@H]1CCCO1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC001602006337 1350417209 /nfs/dbraw/zinc/41/72/09/1350417209.db2.gz RYGQQMTVOXPLSX-SNVBAGLBSA-N -1 0 329.740 2.103 20 5 EEBDRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC001602113364 1350441727 /nfs/dbraw/zinc/44/17/27/1350441727.db2.gz BNDIGPWFVFWRKL-ZDUSSCGKSA-N -1 0 328.324 2.411 20 5 EEBDRM O=C([O-])Cc1ccc(OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC001602130640 1350446233 /nfs/dbraw/zinc/44/62/33/1350446233.db2.gz DOVMDTIIDOQTJW-UHFFFAOYSA-N -1 0 345.263 2.170 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001602134436 1350446966 /nfs/dbraw/zinc/44/69/66/1350446966.db2.gz YSRMDSLMFZMJFG-UHFFFAOYSA-N -1 0 326.308 2.425 20 5 EEBDRM O=C([O-])Cc1ccccc1COC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001602147337 1350451111 /nfs/dbraw/zinc/45/11/11/1350451111.db2.gz DZQKENORSPHQBT-UHFFFAOYSA-N -1 0 331.280 2.285 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001602212057 1350467448 /nfs/dbraw/zinc/46/74/48/1350467448.db2.gz RXAWFOSRHQSXID-VIFPVBQESA-N -1 0 328.271 2.010 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H]2CCOCC23CCCC3)cc([N+](=O)[O-])c1 ZINC001602246585 1350475630 /nfs/dbraw/zinc/47/56/30/1350475630.db2.gz IFULYRGGMAPRCQ-AWEZNQCLSA-N -1 0 348.355 2.372 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)on1 ZINC001602284394 1350485947 /nfs/dbraw/zinc/48/59/47/1350485947.db2.gz ADAHHXWNEQQTNQ-UHFFFAOYSA-N -1 0 343.198 2.135 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccnn2CC(F)F)cc([N+](=O)[O-])c1 ZINC001602285713 1350486258 /nfs/dbraw/zinc/48/62/58/1350486258.db2.gz UWNKTXKLUGYHHH-UHFFFAOYSA-N -1 0 340.242 2.007 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(C2CC(OCc3ccccc3)C2)c1 ZINC001602298797 1350488276 /nfs/dbraw/zinc/48/82/76/1350488276.db2.gz GCNUYWFVEUVKSF-UHFFFAOYSA-N -1 0 344.323 2.375 20 5 EEBDRM O=C([O-])c1ccc(Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl ZINC001602360705 1350503434 /nfs/dbraw/zinc/50/34/34/1350503434.db2.gz JJFXMTJGUUPDFB-UHFFFAOYSA-N -1 0 326.652 2.099 20 5 EEBDRM O=C([O-])c1ccc(OCC[S@@](=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001602390759 1350509201 /nfs/dbraw/zinc/50/92/01/1350509201.db2.gz MFTLYYNDEWIWFG-HSZRJFAPSA-N -1 0 335.337 2.480 20 5 EEBDRM O=C([O-])c1cccc(OCc2nnc3n2CCCCC3)c1[N+](=O)[O-] ZINC001602451044 1350522491 /nfs/dbraw/zinc/52/24/91/1350522491.db2.gz OTSYKVKLERTWBC-UHFFFAOYSA-N -1 0 332.316 2.190 20 5 EEBDRM O=C([O-])c1cnc(COc2c(F)cc([N+](=O)[O-])cc2Cl)cn1 ZINC001602522128 1350538135 /nfs/dbraw/zinc/53/81/35/1350538135.db2.gz YYAJTLWTFRPIAP-UHFFFAOYSA-N -1 0 327.655 2.455 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@H]1OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001602610060 1350556343 /nfs/dbraw/zinc/55/63/43/1350556343.db2.gz LPOLIHMTKGVVQM-MWLCHTKSSA-N -1 0 337.284 2.124 20 5 EEBDRM O=C([O-])C1(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC001602612508 1350557385 /nfs/dbraw/zinc/55/73/85/1350557385.db2.gz IVTCAQJXTGEOJR-UHFFFAOYSA-N -1 0 344.117 2.379 20 5 EEBDRM C[C@@H](CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC001604150048 1350874567 /nfs/dbraw/zinc/87/45/67/1350874567.db2.gz OXQIKBMWAYFWIS-NSHDSACASA-N -1 0 348.355 2.269 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(-c2nn[nH]n2)c(OC)c1 ZINC001604617671 1350971479 /nfs/dbraw/zinc/97/14/79/1350971479.db2.gz SEZGZFXDFDDGGV-UHFFFAOYSA-N -1 0 345.319 2.101 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001605062335 1351069587 /nfs/dbraw/zinc/06/95/87/1351069587.db2.gz YMWWQIZGRWBVMQ-WBMJQRKESA-N -1 0 338.335 2.189 20 5 EEBDRM CCC1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001605173050 1351095179 /nfs/dbraw/zinc/09/51/79/1351095179.db2.gz WEAMYUSAQYPVGA-LLVKDONJSA-N -1 0 349.387 2.424 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001605776229 1351222887 /nfs/dbraw/zinc/22/28/87/1351222887.db2.gz URJYCIORRQVROX-BXKDBHETSA-N -1 0 346.343 2.072 20 5 EEBDRM COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)ccc1C(=O)[O-] ZINC001607162701 1351440932 /nfs/dbraw/zinc/44/09/32/1351440932.db2.gz AMNVWZTZRJOCKD-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM COc1cccc(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)c1[N+](=O)[O-] ZINC001607303524 1351468940 /nfs/dbraw/zinc/46/89/40/1351468940.db2.gz CPSOAZYYBLEQOS-UHFFFAOYSA-N -1 0 334.328 2.215 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](CO)c2ccc(F)cc2)n1 ZINC001607588878 1351520481 /nfs/dbraw/zinc/52/04/81/1351520481.db2.gz FJPGJWWWFNHBPO-LBPRGKRZSA-N -1 0 335.291 2.281 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1[N+](=O)[O-] ZINC001607654676 1351533822 /nfs/dbraw/zinc/53/38/22/1351533822.db2.gz CDYONCYMQDTERT-CYBMUJFWSA-N -1 0 344.776 2.247 20 5 EEBDRM Cc1cc(N2CCC[C@@H](c3cn(C)nn3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607669855 1351536805 /nfs/dbraw/zinc/53/68/05/1351536805.db2.gz QWZMSUWHNWEPIO-LLVKDONJSA-N -1 0 345.359 2.114 20 5 EEBDRM Cn1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c([N+](=O)[O-])n1 ZINC001608114513 1351627863 /nfs/dbraw/zinc/62/78/63/1351627863.db2.gz LLVNAUZJHRCBPN-LLVKDONJSA-N -1 0 342.714 2.036 20 5 EEBDRM O=C([O-])C1CC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001608408460 1351688758 /nfs/dbraw/zinc/68/87/58/1351688758.db2.gz XLLYXOHDIIVANL-UHFFFAOYSA-N -1 0 332.234 2.207 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-])sc1C ZINC000835270905 1372607081 /nfs/dbraw/zinc/60/70/81/1372607081.db2.gz OYWVVQSTUBDPCS-UHFFFAOYSA-N -1 0 334.419 2.005 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1COC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001605701223 1404750550 /nfs/dbraw/zinc/75/05/50/1404750550.db2.gz LDUWHCARTCQGCU-UHFFFAOYSA-N -1 0 335.312 2.292 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846704806 790452926 /nfs/dbraw/zinc/45/29/26/790452926.db2.gz HDKCKGDJYVZZRY-UHFFFAOYSA-N -1 0 349.387 2.134 20 5 EEBDRM Cc1ocnc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809828141 783426429 /nfs/dbraw/zinc/42/64/29/783426429.db2.gz JPRZQLDQWKGQTH-UHFFFAOYSA-N -1 0 349.727 2.162 20 5 EEBDRM CO[C@]1(C(F)(F)F)CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000906151211 783741511 /nfs/dbraw/zinc/74/15/11/783741511.db2.gz BWHDIVKBFXLIAB-CYBMUJFWSA-N -1 0 348.277 2.380 20 5 EEBDRM Cc1c(CO)cc([N+](=O)[O-])c(NCCC(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC000818619106 785304327 /nfs/dbraw/zinc/30/43/27/785304327.db2.gz WLBMCVMKWWKECW-UHFFFAOYSA-N -1 0 341.320 2.217 20 5 EEBDRM C[C@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1c1ccccc1 ZINC000910389547 786732165 /nfs/dbraw/zinc/73/21/65/786732165.db2.gz VXHWWYJNPPCYJF-LBPRGKRZSA-N -1 0 342.355 2.403 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCOC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000844217749 788906643 /nfs/dbraw/zinc/90/66/43/788906643.db2.gz LYRHABHRMVHOBB-AWEZNQCLSA-N -1 0 334.372 2.475 20 5 EEBDRM Cn1cc2c(n1)CCC[C@@H]2Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844216525 788935923 /nfs/dbraw/zinc/93/59/23/788935923.db2.gz DTHJGOGYXPKWCD-LBPRGKRZSA-N -1 0 330.344 2.445 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000845438994 789776293 /nfs/dbraw/zinc/77/62/93/789776293.db2.gz OUVDGCGDNYAALC-AULYBMBSSA-N -1 0 340.401 2.367 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845446020 789780878 /nfs/dbraw/zinc/78/08/78/789780878.db2.gz IBKCHAQLHSBJHD-QWHCGFSZSA-N -1 0 338.385 2.144 20 5 EEBDRM Cc1cc(F)cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000846136008 790071334 /nfs/dbraw/zinc/07/13/34/790071334.db2.gz GBKRRBINEDISMX-QWHCGFSZSA-N -1 0 336.319 2.225 20 5 EEBDRM Cc1ccnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000916105285 797508015 /nfs/dbraw/zinc/50/80/15/797508015.db2.gz IJCBUFYIGZVBSD-UHFFFAOYSA-N -1 0 338.301 2.007 20 5 EEBDRM O=C([O-])c1ccc(Nc2cnn3c2OCC2(CC2)C3)cc1[N+](=O)[O-] ZINC001174503875 797785059 /nfs/dbraw/zinc/78/50/59/797785059.db2.gz MHMUWRVUDAJASM-UHFFFAOYSA-N -1 0 330.300 2.406 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccccc1C(=O)[O-] ZINC000917730601 798338805 /nfs/dbraw/zinc/33/88/05/798338805.db2.gz KJDHRYPSKLSEKC-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc3c(c2)OCC(=O)N3)cc([N+](=O)[O-])c1 ZINC001176677367 798524880 /nfs/dbraw/zinc/52/48/80/798524880.db2.gz UZVGMLDPANTMJD-UHFFFAOYSA-N -1 0 329.268 2.368 20 5 EEBDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000786663249 806835265 /nfs/dbraw/zinc/83/52/65/806835265.db2.gz OJXZEVKBWCMRKE-UHFFFAOYSA-N -1 0 348.380 2.205 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC001602838230 971666513 /nfs/dbraw/zinc/66/65/13/971666513.db2.gz LPDIHOBUZXKEKR-UHFFFAOYSA-N -1 0 336.279 2.002 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCC1 ZINC001594980113 950980558 /nfs/dbraw/zinc/98/05/58/950980558.db2.gz KLKAFTSXHIQDTA-UHFFFAOYSA-N -1 0 344.327 2.112 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001589268165 953383037 /nfs/dbraw/zinc/38/30/37/953383037.db2.gz CZSCFZJBTZLTHE-CMPLNLGQSA-N -1 0 338.335 2.236 20 5 EEBDRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001589337943 954010128 /nfs/dbraw/zinc/01/01/28/954010128.db2.gz ZYQXBSAEDSWFIZ-JUDXGUMMSA-N -1 0 332.356 2.268 20 5 EEBDRM CON(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC001594040917 957875124 /nfs/dbraw/zinc/87/51/24/957875124.db2.gz SOUQJRBUQOAFLN-SNVBAGLBSA-N -1 0 345.311 2.134 20 5 EEBDRM C[C@@H](C(=O)[O-])c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001588604063 959463243 /nfs/dbraw/zinc/46/32/43/959463243.db2.gz YWVQGZQYKMHQDK-SSDOTTSWSA-N -1 0 341.707 2.441 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]cc1C(=O)[O-] ZINC001573809811 960877053 /nfs/dbraw/zinc/87/70/53/960877053.db2.gz WBOOAPKOLMRVDN-JTQLQIEISA-N -1 0 332.316 2.224 20 5 EEBDRM Cc1cc(NC(=O)CCCCC(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC001574338076 960920402 /nfs/dbraw/zinc/92/04/02/960920402.db2.gz YHORBLQYSDMPET-UHFFFAOYSA-N -1 0 331.328 2.457 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccn1 ZINC001606466101 973938573 /nfs/dbraw/zinc/93/85/73/973938573.db2.gz KJDMPUXLGBMYJO-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM CC(C)Oc1nc(N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001591810521 976040910 /nfs/dbraw/zinc/04/09/10/976040910.db2.gz YLIKURSDEGLHRA-ZBEGNZNMSA-N -1 0 335.360 2.468 20 5 EEBDRM CCCCNC(=O)C1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001595754004 982440931 /nfs/dbraw/zinc/44/09/31/982440931.db2.gz JTINNYUHUIIBSA-UHFFFAOYSA-N -1 0 349.387 2.426 20 5 EEBDRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC001589414668 986636653 /nfs/dbraw/zinc/63/66/53/986636653.db2.gz KIFLDVXXQPXAOK-JTQLQIEISA-N -1 0 329.312 2.108 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001597164116 986978600 /nfs/dbraw/zinc/97/86/00/986978600.db2.gz ZHDQJLDAQSIBHN-UHFFFAOYSA-N -1 0 345.311 2.017 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(Nc2ncnc3sc([N+](=O)[O-])cc32)cn1 ZINC001589671257 987668896 /nfs/dbraw/zinc/66/88/96/987668896.db2.gz VSGYYZZFNORYPL-UHFFFAOYSA-N -1 0 348.344 2.359 20 5 EEBDRM CCc1nc(NC(=O)c2cc([N+](=O)[O-])cnc2C)sc1C(=O)[O-] ZINC001597681971 988817099 /nfs/dbraw/zinc/81/70/99/988817099.db2.gz MKURCKHTACNBLJ-UHFFFAOYSA-N -1 0 336.329 2.268 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001599877363 989436930 /nfs/dbraw/zinc/43/69/30/989436930.db2.gz NKKXCYZKLZFAIV-DGCLKSJQSA-N -1 0 348.355 2.269 20 5 EEBDRM CCn1cc([C@@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001597882353 989711536 /nfs/dbraw/zinc/71/15/36/989711536.db2.gz NRAWFUKXVWXGHZ-SECBINFHSA-N -1 0 332.316 2.000 20 5 EEBDRM CCn1cccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1=O ZINC001597911759 989811375 /nfs/dbraw/zinc/81/13/75/989811375.db2.gz NUOXCBJMJIXLIN-UHFFFAOYSA-N -1 0 331.328 2.016 20 5 EEBDRM CN(C(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001598031671 990251224 /nfs/dbraw/zinc/25/12/24/990251224.db2.gz PZDNXIPKUJSZOZ-UHFFFAOYSA-N -1 0 330.296 2.335 20 5 EEBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC001598072730 990372192 /nfs/dbraw/zinc/37/21/92/990372192.db2.gz FZDZOWHPQOXMDS-CYBMUJFWSA-N -1 0 338.360 2.162 20 5 EEBDRM CN(CCc1nc2ccccc2[nH]1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598503685 992471512 /nfs/dbraw/zinc/47/15/12/992471512.db2.gz HUIGGJSWKOKYQG-UHFFFAOYSA-N -1 0 341.327 2.243 20 5 EEBDRM COc1ccc(OC(=O)Cc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599599387 993793521 /nfs/dbraw/zinc/79/35/21/993793521.db2.gz DQTARGQSZQOBFS-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N[C@H]2CCC2(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169907 994023504 /nfs/dbraw/zinc/02/35/04/994023504.db2.gz GQWBIMNKJZYNBW-ZANVPECISA-N -1 0 335.360 2.398 20 5 EEBDRM C[C@@](NC(=O)c1ccccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593178761 994058022 /nfs/dbraw/zinc/05/80/22/994058022.db2.gz GVFBUEIZQPZPIM-INIZCTEOSA-N -1 0 332.287 2.464 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(NCc3ccoc3C(=O)[O-])c2c1 ZINC001599637917 994316326 /nfs/dbraw/zinc/31/63/26/994316326.db2.gz MLRFCEBRSOWOBH-UHFFFAOYSA-N -1 0 343.295 2.477 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001598680403 994917913 /nfs/dbraw/zinc/91/79/13/994917913.db2.gz HCGHFMROWKVEHV-UHFFFAOYSA-N -1 0 331.284 2.293 20 5 EEBDRM C[C@@](O)(C(=O)[O-])c1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC001593375916 995084484 /nfs/dbraw/zinc/08/44/84/995084484.db2.gz PGNLEVIPZPPYPD-KRWDZBQOSA-N -1 0 331.324 2.089 20 5 EEBDRM C[C@@]1(Br)C[C@@H]1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593739872 996355124 /nfs/dbraw/zinc/35/51/24/996355124.db2.gz MBDXXUBMODCXOJ-PRHODGIISA-N -1 0 344.117 2.372 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(CC(=O)[O-])CC1 ZINC001598955362 998230947 /nfs/dbraw/zinc/23/09/47/998230947.db2.gz DNLRDCXENDANPP-UHFFFAOYSA-N -1 0 336.344 2.381 20 5 EEBDRM C[C@@H]1CCCN(C(=O)CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594377487 999422508 /nfs/dbraw/zinc/42/25/08/999422508.db2.gz DZBLRQBXJQVZJC-GFCCVEGCSA-N -1 0 349.387 2.282 20 5 EEBDRM O=C([O-])c1coc(CNc2ncc(Br)cc2[N+](=O)[O-])n1 ZINC001602557544 1118996994 /nfs/dbraw/zinc/99/69/94/1118996994.db2.gz UDOXUOILVRHXMY-UHFFFAOYSA-N -1 0 343.093 2.051 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000054297575 214229718 /nfs/dbraw/zinc/22/97/18/214229718.db2.gz SGEWFRXGBUQHBF-QMMMGPOBSA-N -1 0 344.165 2.443 20 5 EEBDRM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187138296 304004410 /nfs/dbraw/zinc/00/44/10/304004410.db2.gz UXZGKLCFQHSSLS-UHFFFAOYSA-N -1 0 327.296 2.437 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000181166266 234101468 /nfs/dbraw/zinc/10/14/68/234101468.db2.gz VOURCSXTJGKEJD-HNNXBMFYSA-N -1 0 342.351 2.384 20 5 EEBDRM CCC[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000263205247 283522305 /nfs/dbraw/zinc/52/23/05/283522305.db2.gz OFNSSVSRJLBYKN-VIFPVBQESA-N -1 0 347.327 2.079 20 5 EEBDRM O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000456299680 244208872 /nfs/dbraw/zinc/20/88/72/244208872.db2.gz FDQIGJIYRCCBKT-XJKSGUPXSA-N -1 0 343.339 2.346 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000262998376 245292731 /nfs/dbraw/zinc/29/27/31/245292731.db2.gz QXFZEQACWAISHF-NSHDSACASA-N -1 0 331.328 2.084 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)cs1 ZINC000097162593 218978803 /nfs/dbraw/zinc/97/88/03/218978803.db2.gz IVGZGGYKVFHZQB-UHFFFAOYSA-N -1 0 342.333 2.473 20 5 EEBDRM C[S@@](=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000179501785 255924184 /nfs/dbraw/zinc/92/41/84/255924184.db2.gz VKXJFELUZDSJOA-HSZRJFAPSA-N -1 0 334.353 2.431 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC1 ZINC000262473854 152282435 /nfs/dbraw/zinc/28/24/35/152282435.db2.gz JSPHMEVOENCHDB-UHFFFAOYSA-N -1 0 333.344 2.296 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262891961 152334906 /nfs/dbraw/zinc/33/49/06/152334906.db2.gz CKIRKCCEHPHBFB-SKDRFNHKSA-N -1 0 333.344 2.104 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H](O)Cc1ccccc1Cl ZINC000357660935 153274040 /nfs/dbraw/zinc/27/40/40/153274040.db2.gz QKCZRCJTYGZWOQ-CQSZACIVSA-N -1 0 336.731 2.496 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000131461294 292388431 /nfs/dbraw/zinc/38/84/31/292388431.db2.gz FLDVOGAPAZXKNC-SECBINFHSA-N -1 0 341.323 2.286 20 5 EEBDRM CCN(CC(=O)[O-])C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236990401 160219761 /nfs/dbraw/zinc/21/97/61/160219761.db2.gz ICISSPPWXVONCI-UHFFFAOYSA-N -1 0 335.341 2.265 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000237980812 160226935 /nfs/dbraw/zinc/22/69/35/160226935.db2.gz NVLJKIOIBZMWLO-UHFFFAOYSA-N -1 0 332.287 2.405 20 5 EEBDRM C[C@@](O)(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCOCC1 ZINC000345319796 161291621 /nfs/dbraw/zinc/29/16/21/161291621.db2.gz BSGSOJXVGYEYBX-AWEZNQCLSA-N -1 0 344.751 2.070 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000347338830 161444394 /nfs/dbraw/zinc/44/43/94/161444394.db2.gz FNNOGESEGPIJKR-UHFFFAOYSA-N -1 0 328.324 2.494 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C)c(O)c1 ZINC000360232043 164263763 /nfs/dbraw/zinc/26/37/63/164263763.db2.gz XZCYFOLRDQMVCS-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000360256605 164269073 /nfs/dbraw/zinc/26/90/73/164269073.db2.gz HBHMMSGMEKBPCM-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CCCC(=O)[O-])c1C ZINC000274926384 269076350 /nfs/dbraw/zinc/07/63/50/269076350.db2.gz CAKIRXGZXWQNCK-JTQLQIEISA-N -1 0 344.389 2.133 20 5 EEBDRM CC(C)C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000274995727 269082954 /nfs/dbraw/zinc/08/29/54/269082954.db2.gz ABCWPXJBLYAJSZ-NSHDSACASA-N -1 0 344.389 2.010 20 5 EEBDRM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000275077043 269092425 /nfs/dbraw/zinc/09/24/25/269092425.db2.gz HYVQIMSEQQSSJJ-RNCFNFMXSA-N -1 0 344.389 2.023 20 5 EEBDRM CSCCONC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000279898773 269314092 /nfs/dbraw/zinc/31/40/92/269314092.db2.gz GCQRSIXNTPFFMH-UHFFFAOYSA-N -1 0 335.179 2.382 20 5 EEBDRM CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000285824036 274798667 /nfs/dbraw/zinc/79/86/67/274798667.db2.gz RSXANOHEAXMEQO-UHFFFAOYSA-N -1 0 339.348 2.496 20 5 EEBDRM CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000255017798 292687411 /nfs/dbraw/zinc/68/74/11/292687411.db2.gz UFDJNTVTBNROJJ-SREVYHEPSA-N -1 0 330.337 2.141 20 5 EEBDRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000293064245 293115941 /nfs/dbraw/zinc/11/59/41/293115941.db2.gz ALDHQAOZPVNCLP-MRVPVSSYSA-N -1 0 327.312 2.075 20 5 EEBDRM CC1(C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000293606874 293249893 /nfs/dbraw/zinc/24/98/93/293249893.db2.gz CTITXQWTLMBDNK-NSHDSACASA-N -1 0 348.277 2.482 20 5 EEBDRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296940070 294107700 /nfs/dbraw/zinc/10/77/00/294107700.db2.gz NFFIVFXMMDDJKD-MRVPVSSYSA-N -1 0 327.312 2.075 20 5 EEBDRM COc1ccc2c(c1)OCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000374657751 295267191 /nfs/dbraw/zinc/26/71/91/295267191.db2.gz WQQLSZFQIWFAGZ-UHFFFAOYSA-N -1 0 344.323 2.344 20 5 EEBDRM Cc1sc(S(=O)(=O)NCc2ccc(C)c(C)n2)cc1[N+](=O)[O-] ZINC000416545671 313253019 /nfs/dbraw/zinc/25/30/19/313253019.db2.gz HSXQLPULRREGCA-UHFFFAOYSA-N -1 0 341.414 2.455 20 5 EEBDRM CC(C)n1cc(C(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])nn1 ZINC000422069220 314176307 /nfs/dbraw/zinc/17/63/07/314176307.db2.gz DPCKKQJAVIOPJU-UHFFFAOYSA-N -1 0 333.348 2.138 20 5 EEBDRM C[S@@](=O)Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436711101 314991124 /nfs/dbraw/zinc/99/11/24/314991124.db2.gz CXQBLWMAIOHLMS-XMMPIXPASA-N -1 0 348.380 2.109 20 5 EEBDRM O=C(Nc1cccc(N2CCC2=O)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436808740 315000657 /nfs/dbraw/zinc/00/06/57/315000657.db2.gz QMEFEBXKLMKUST-UHFFFAOYSA-N -1 0 327.296 2.289 20 5 EEBDRM COCC[C@@H](Cc1ccco1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436828641 315002960 /nfs/dbraw/zinc/00/29/60/315002960.db2.gz QUFOAWYIWONQEW-NSHDSACASA-N -1 0 334.328 2.271 20 5 EEBDRM CC(C)(C)c1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])s1 ZINC000436885674 315009287 /nfs/dbraw/zinc/00/92/87/315009287.db2.gz INZZYYMCVAHBKB-UHFFFAOYSA-N -1 0 336.373 2.379 20 5 EEBDRM COC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCC(C)CC1 ZINC000436958297 315016607 /nfs/dbraw/zinc/01/66/07/315016607.db2.gz GGMIMCQYIUQJHC-UHFFFAOYSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C(NCc1cccc(-n2ccnc2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436996417 315021630 /nfs/dbraw/zinc/02/16/30/315021630.db2.gz BXLQBQVUPABOJZ-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM C[C@@](CO)(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])Cc1ccccc1 ZINC000436999812 315021997 /nfs/dbraw/zinc/02/19/97/315021997.db2.gz RSZSYTAJIORBHH-SFHVURJKSA-N -1 0 344.367 2.272 20 5 EEBDRM CCNC(=O)OC[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000495731498 316076866 /nfs/dbraw/zinc/07/68/66/316076866.db2.gz SYBRRDPDOVUWCA-ZDUSSCGKSA-N -1 0 337.376 2.401 20 5 EEBDRM Cc1cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000517572219 316676431 /nfs/dbraw/zinc/67/64/31/316676431.db2.gz JFZHPMGRUQJBOR-QWHCGFSZSA-N -1 0 342.355 2.447 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCCCC(=O)[O-] ZINC000547939525 318335703 /nfs/dbraw/zinc/33/57/03/318335703.db2.gz KAOOBIZBQUQYEZ-LLVKDONJSA-N -1 0 344.389 2.215 20 5 EEBDRM CC[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000564217065 319073173 /nfs/dbraw/zinc/07/31/73/319073173.db2.gz XQGKQGGIHWRMAM-JTQLQIEISA-N -1 0 342.373 2.246 20 5 EEBDRM Cc1cccc2c1OC[C@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000566293216 319270692 /nfs/dbraw/zinc/27/06/92/319270692.db2.gz JEWZNOAGONFLFQ-LLVKDONJSA-N -1 0 329.312 2.412 20 5 EEBDRM Cc1cc(N[C@H]2CCO[C@@H]2c2nccn2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566297140 319271289 /nfs/dbraw/zinc/27/12/89/319271289.db2.gz MRZIMHZYASNNMK-JSGCOSHPSA-N -1 0 346.343 2.277 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000567940885 319436394 /nfs/dbraw/zinc/43/63/94/319436394.db2.gz HBGUGWDPMSVOAL-NSHDSACASA-N -1 0 345.359 2.280 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC000574880325 320065913 /nfs/dbraw/zinc/06/59/13/320065913.db2.gz NTLUABMYFUGQNB-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@](C)(CC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000580560627 324088394 /nfs/dbraw/zinc/08/83/94/324088394.db2.gz PWBKUSQBCJKQCS-CQSZACIVSA-N -1 0 344.389 2.071 20 5 EEBDRM C[C@H](NS(=O)(=O)CCCCCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000582604102 324487878 /nfs/dbraw/zinc/48/78/78/324487878.db2.gz MTYDCFABJWSGNC-NSHDSACASA-N -1 0 344.389 2.220 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000325775529 465029692 /nfs/dbraw/zinc/02/96/92/465029692.db2.gz KVQMCOMZDJNTQM-HNNXBMFYSA-N -1 0 328.324 2.122 20 5 EEBDRM COc1cccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000347531682 465078897 /nfs/dbraw/zinc/07/88/97/465078897.db2.gz VCZBXAYHUKWGMA-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000339127061 465098985 /nfs/dbraw/zinc/09/89/85/465098985.db2.gz AUJDYEHSWNHLOU-NOZJJQNGSA-N -1 0 334.294 2.436 20 5 EEBDRM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356302152 465304227 /nfs/dbraw/zinc/30/42/27/465304227.db2.gz ZECPOTSLMFFVBM-PSLIRLAXSA-N -1 0 330.296 2.467 20 5 EEBDRM CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000015372513 462950815 /nfs/dbraw/zinc/95/08/15/462950815.db2.gz LPVCCWRZNFIQKP-UHFFFAOYSA-N -1 0 349.368 2.145 20 5 EEBDRM O=C(Nc1ccc(O)cc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000121829123 463202822 /nfs/dbraw/zinc/20/28/22/463202822.db2.gz IMZJWGXYTBMMLK-UHFFFAOYSA-N -1 0 343.274 2.273 20 5 EEBDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000030032071 463286093 /nfs/dbraw/zinc/28/60/93/463286093.db2.gz MGZNEWFCMIXIAU-UHFFFAOYSA-N -1 0 344.352 2.165 20 5 EEBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H]1n1ccnc1 ZINC000097097775 463322451 /nfs/dbraw/zinc/32/24/51/463322451.db2.gz FGLHTMZVQMHLOD-FZMZJTMJSA-N -1 0 330.344 2.220 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000103060069 463394709 /nfs/dbraw/zinc/39/47/09/463394709.db2.gz HKKUGYJYDQACJE-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM CCc1oc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000261739544 463845268 /nfs/dbraw/zinc/84/52/68/463845268.db2.gz ZFMUMBOITYRHCH-UHFFFAOYSA-N -1 0 332.312 2.421 20 5 EEBDRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000194453398 463865187 /nfs/dbraw/zinc/86/51/87/463865187.db2.gz RIIJVDJJJDVGJG-NWDGAFQWSA-N -1 0 347.371 2.178 20 5 EEBDRM CCc1nnc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)s1 ZINC000279164713 464050192 /nfs/dbraw/zinc/05/01/92/464050192.db2.gz IMTNDFPSIJFSEF-UHFFFAOYSA-N -1 0 339.352 2.466 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)NC(C)(C)CCC(=O)[O-])c1[N+](=O)[O-] ZINC000263563272 464130045 /nfs/dbraw/zinc/13/00/45/464130045.db2.gz TZJZREMMFHPLCK-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000179435714 464135417 /nfs/dbraw/zinc/13/54/17/464135417.db2.gz AAFFJLMWNQEXON-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM CCCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n(C)n1 ZINC000179839615 464196499 /nfs/dbraw/zinc/19/64/99/464196499.db2.gz ZAKFNVKLSGHHPT-UHFFFAOYSA-N -1 0 338.389 2.390 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000237035900 464255013 /nfs/dbraw/zinc/25/50/13/464255013.db2.gz AUKGOEMFQWCCNG-RFAUZJTJSA-N -1 0 333.344 2.234 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000237586528 464343622 /nfs/dbraw/zinc/34/36/22/464343622.db2.gz BIJZSYVWIAEQIR-AWEZNQCLSA-N -1 0 329.312 2.244 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000180690371 464371494 /nfs/dbraw/zinc/37/14/94/464371494.db2.gz YQMYUHSLCHDSOX-UHFFFAOYSA-N -1 0 333.251 2.300 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nc(C)n1 ZINC000180764909 464390124 /nfs/dbraw/zinc/39/01/24/464390124.db2.gz MFXNVBCEEGXLPU-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM COC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccco1 ZINC000175355459 464531921 /nfs/dbraw/zinc/53/19/21/464531921.db2.gz XMLUODNWWGYBQU-LLVKDONJSA-N -1 0 340.357 2.162 20 5 EEBDRM CC(C)c1ccc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000190706067 464705768 /nfs/dbraw/zinc/70/57/68/464705768.db2.gz ITCAMFOVLWASIV-JTQLQIEISA-N -1 0 332.364 2.107 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c3ccc([N+](=O)[O-])cc32)c(C)o1 ZINC000183138389 464807065 /nfs/dbraw/zinc/80/70/65/464807065.db2.gz DOSQCVWZBDNCJL-UHFFFAOYSA-N -1 0 336.329 2.482 20 5 EEBDRM Cc1cccc(N(CCC(N)=O)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000183519711 464874314 /nfs/dbraw/zinc/87/43/14/464874314.db2.gz JPQDYZNITRPDRB-UHFFFAOYSA-N -1 0 343.339 2.131 20 5 EEBDRM CC(C)(C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1)C(N)=O ZINC000295601438 464898288 /nfs/dbraw/zinc/89/82/88/464898288.db2.gz IBURDQNSQVHOSV-NSHDSACASA-N -1 0 349.387 2.054 20 5 EEBDRM CC(=O)c1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc1C ZINC000356710519 465500234 /nfs/dbraw/zinc/50/02/34/465500234.db2.gz AXNQRSKAFQANRT-UHFFFAOYSA-N -1 0 329.312 2.136 20 5 EEBDRM C[C@@]1(CCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC(=O)N1 ZINC000351772622 465351913 /nfs/dbraw/zinc/35/19/13/465351913.db2.gz XVCCMUQWPNUZMJ-CQSZACIVSA-N -1 0 341.751 2.341 20 5 EEBDRM COc1ccsc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O ZINC000348444385 465610536 /nfs/dbraw/zinc/61/05/36/465610536.db2.gz BOZDPJVPVOSQQX-UHFFFAOYSA-N -1 0 330.343 2.171 20 5 EEBDRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000299645935 465840829 /nfs/dbraw/zinc/84/08/29/465840829.db2.gz WEGQTVDKHIIOSY-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM CCCn1cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000302013138 466077938 /nfs/dbraw/zinc/07/79/38/466077938.db2.gz ZSWXHJKFHAQROR-UHFFFAOYSA-N -1 0 330.391 2.410 20 5 EEBDRM CCN(CC(=O)N1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000332047302 466360834 /nfs/dbraw/zinc/36/08/34/466360834.db2.gz WUTLSFQAWUEOQU-UHFFFAOYSA-N -1 0 349.387 2.165 20 5 EEBDRM CCN(CC(=O)N1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000332054163 466364006 /nfs/dbraw/zinc/36/40/06/466364006.db2.gz WUCIBMUJUXXDKF-UHFFFAOYSA-N -1 0 349.387 2.165 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN2CCOc3cccc1c32 ZINC000368066208 466575025 /nfs/dbraw/zinc/57/50/25/466575025.db2.gz XXZLUSIORMAVGW-UHFFFAOYSA-N -1 0 341.323 2.160 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000319075876 466593004 /nfs/dbraw/zinc/59/30/04/466593004.db2.gz AYFNJHZFRMIDTK-UHFFFAOYSA-N -1 0 328.365 2.448 20 5 EEBDRM O=C(Nc1ccc(N2CCCC2=O)cn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000408514026 466670724 /nfs/dbraw/zinc/67/07/24/466670724.db2.gz CRCWJJRNYYUVFT-UHFFFAOYSA-N -1 0 342.311 2.075 20 5 EEBDRM O=C(c1ccc(F)cc1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373251750 466743126 /nfs/dbraw/zinc/74/31/26/466743126.db2.gz XVZQKHXINYGDCD-UHFFFAOYSA-N -1 0 334.307 2.113 20 5 EEBDRM COc1cc(N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000390716143 467410912 /nfs/dbraw/zinc/41/09/12/467410912.db2.gz YFHHLHGRRXXDRA-LBPRGKRZSA-N -1 0 334.250 2.447 20 5 EEBDRM C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C(=O)[O-] ZINC000431646732 467531011 /nfs/dbraw/zinc/53/10/11/467531011.db2.gz FPKXCQUNGVGHCE-QMMMGPOBSA-N -1 0 328.299 2.023 20 5 EEBDRM O=C(Nc1ccccc1Cn1cncn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436670301 467549947 /nfs/dbraw/zinc/54/99/47/467549947.db2.gz DVQMKVRBAUTODS-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM C[S@](=O)Cc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436715585 467552158 /nfs/dbraw/zinc/55/21/58/467552158.db2.gz YAFOMBKFJSUMSP-DEOSSOPVSA-N -1 0 348.380 2.109 20 5 EEBDRM O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC1(C(=O)[O-])CCSCC1 ZINC000492892876 467786039 /nfs/dbraw/zinc/78/60/39/467786039.db2.gz MEGHRHDJMMKRDN-PLNGDYQASA-N -1 0 336.369 2.075 20 5 EEBDRM O=C([O-])CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000493811908 467989122 /nfs/dbraw/zinc/98/91/22/467989122.db2.gz BECFUXGFPMXYOZ-ZZXKWVIFSA-N -1 0 348.355 2.090 20 5 EEBDRM Cc1ccc(C[C@H](CO)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1C ZINC000515485917 467994316 /nfs/dbraw/zinc/99/43/16/467994316.db2.gz DCCRXSWRHNGSTP-CYBMUJFWSA-N -1 0 345.355 2.320 20 5 EEBDRM Cc1ccc(NCCCNC(=O)C[C@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000519710707 468198485 /nfs/dbraw/zinc/19/84/85/468198485.db2.gz QICLBYCKMPDIBH-LBPRGKRZSA-N -1 0 337.376 2.322 20 5 EEBDRM Cn1c(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000590400515 468246930 /nfs/dbraw/zinc/24/69/30/468246930.db2.gz XCSVWOPUAAZUQN-UHFFFAOYSA-N -1 0 327.300 2.281 20 5 EEBDRM C[C@H]1CCC[C@@H]1CNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583088027 468642190 /nfs/dbraw/zinc/64/21/90/468642190.db2.gz QTPZRRYKZQIDHG-VHSXEESVSA-N -1 0 342.373 2.008 20 5 EEBDRM CCOC(=O)c1cc(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000600800570 468661184 /nfs/dbraw/zinc/66/11/84/468661184.db2.gz MPEUGMBPXYBFFK-JQWIXIFHSA-N -1 0 336.344 2.319 20 5 EEBDRM COc1cc(CN=c2nc(CC(C)C)[n-]s2)c([N+](=O)[O-])cc1O ZINC000594735617 468668184 /nfs/dbraw/zinc/66/81/84/468668184.db2.gz LASCIHIFNXPJIR-UHFFFAOYSA-N -1 0 338.389 2.393 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000600874201 468672627 /nfs/dbraw/zinc/67/26/27/468672627.db2.gz JQBJARQIYVEBOE-UPJWGTAASA-N -1 0 348.355 2.075 20 5 EEBDRM C[C@@](NC(=O)c1cc(C2CC2)on1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600878992 468674793 /nfs/dbraw/zinc/67/47/93/468674793.db2.gz ZLWFWUZLLXFMCC-INIZCTEOSA-N -1 0 345.311 2.190 20 5 EEBDRM O=C(NCc1noc(-c2cccs2)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000559128168 468729660 /nfs/dbraw/zinc/72/96/60/468729660.db2.gz WFQCIKXEWXFEEG-UHFFFAOYSA-N -1 0 346.324 2.342 20 5 EEBDRM CCO[C@@H]1C[C@@](O)(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1(C)C ZINC000583755965 468750855 /nfs/dbraw/zinc/75/08/55/468750855.db2.gz LDXFEBCYTGDLGW-CZUORRHYSA-N -1 0 338.360 2.271 20 5 EEBDRM Cc1ccc(OCCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000592966675 468830365 /nfs/dbraw/zinc/83/03/65/468830365.db2.gz PFVTXPWNKLAXDV-UHFFFAOYSA-N -1 0 331.328 2.796 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nccn1C ZINC000595383410 468833307 /nfs/dbraw/zinc/83/33/07/468833307.db2.gz MUEYRNWWKQRZSD-QMMMGPOBSA-N -1 0 344.780 2.021 20 5 EEBDRM O=C([O-])c1cnc(N2CC[C@@H](O)[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000592980140 468833540 /nfs/dbraw/zinc/83/35/40/468833540.db2.gz IPXQIJIILRKMGN-GXTWGEPZSA-N -1 0 335.360 2.065 20 5 EEBDRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598614646 468933713 /nfs/dbraw/zinc/93/37/13/468933713.db2.gz RCTLXXYFKNWOJA-QMMMGPOBSA-N -1 0 326.296 2.441 20 5 EEBDRM CCc1ccc(S(=O)(=O)N(CCC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000572517157 468944895 /nfs/dbraw/zinc/94/48/95/468944895.db2.gz DBDAXSVWNUAFLI-UHFFFAOYSA-N -1 0 344.389 2.031 20 5 EEBDRM COc1ccc(C(=O)N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000598661984 468950537 /nfs/dbraw/zinc/95/05/37/468950537.db2.gz LKFCNQQYCBFNSU-SJCJKPOMSA-N -1 0 348.355 2.320 20 5 EEBDRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598709026 468966661 /nfs/dbraw/zinc/96/66/61/468966661.db2.gz IMADNXHLASGRCN-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM CCC[C@](C)(NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC000598734412 468978946 /nfs/dbraw/zinc/97/89/46/468978946.db2.gz LSFZVHGAVRENFV-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC000573613824 469171204 /nfs/dbraw/zinc/17/12/04/469171204.db2.gz IYGXKFMUNRCORX-SNVBAGLBSA-N -1 0 328.328 2.229 20 5 EEBDRM CO[C@@H](C)c1nc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cs1 ZINC000573971838 469239013 /nfs/dbraw/zinc/23/90/13/469239013.db2.gz XEBKBEJDQGVKJU-ZETCQYMHSA-N -1 0 338.345 2.464 20 5 EEBDRM CCOC(=O)CCN(CC1CC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000611567634 469281995 /nfs/dbraw/zinc/28/19/95/469281995.db2.gz JJGIHGUASRBOOA-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599859820 469394673 /nfs/dbraw/zinc/39/46/73/469394673.db2.gz GQHFLEDLUKJSSG-MJVIPROJSA-N -1 0 335.360 2.408 20 5 EEBDRM CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000604031014 469452694 /nfs/dbraw/zinc/45/26/94/469452694.db2.gz SSDKFCNUOWIPDA-SNVBAGLBSA-N -1 0 328.390 2.498 20 5 EEBDRM CCOC(=O)CCN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000612426410 469462344 /nfs/dbraw/zinc/46/23/44/469462344.db2.gz CWECYKOTQIZVKP-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1F ZINC000612428451 469462382 /nfs/dbraw/zinc/46/23/82/469462382.db2.gz GQIREJRHQXWWMB-AWEZNQCLSA-N -1 0 348.286 2.084 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1[N+](=O)[O-] ZINC000604376085 469474797 /nfs/dbraw/zinc/47/47/97/469474797.db2.gz AFTUSLJSPFKWHC-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncc(C)s1 ZINC000619506786 469628956 /nfs/dbraw/zinc/62/89/56/469628956.db2.gz HVHUNJPQJRRSJX-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM CC(C)(C(N)=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356598279 534397409 /nfs/dbraw/zinc/39/74/09/534397409.db2.gz PNENROSDCXQJKG-UHFFFAOYSA-N -1 0 343.339 2.316 20 5 EEBDRM CC(C)c1nnc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000183671013 528459670 /nfs/dbraw/zinc/45/96/70/528459670.db2.gz ATETZXMKOFFLOT-UHFFFAOYSA-N -1 0 326.334 2.043 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)[O-])c2ccccc2)c1 ZINC000738068725 577998273 /nfs/dbraw/zinc/99/82/73/577998273.db2.gz PNCKGPFEMDJFSA-UHFFFAOYSA-N -1 0 330.296 2.335 20 5 EEBDRM COc1ccc(CN2C[C@@H](C(=O)[O-])Oc3ccccc32)cc1[N+](=O)[O-] ZINC000738002521 576066826 /nfs/dbraw/zinc/06/68/26/576066826.db2.gz BTGNTCQUFFXLKH-INIZCTEOSA-N -1 0 344.323 2.456 20 5 EEBDRM O=C([O-])NCCCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000739963286 576329674 /nfs/dbraw/zinc/32/96/74/576329674.db2.gz JOMWKUFGKLHDCQ-CYBMUJFWSA-N -1 0 339.373 2.217 20 5 EEBDRM Cn1cc(C(=O)OCCCC(=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738407643 576394473 /nfs/dbraw/zinc/39/44/73/576394473.db2.gz ZTXAFYFIGCXLLT-UHFFFAOYSA-N -1 0 333.300 2.017 20 5 EEBDRM COc1ccccc1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738123761 576592079 /nfs/dbraw/zinc/59/20/79/576592079.db2.gz HVNHJSMNHRQBOF-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM COc1nc(C(=O)O[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc(=O)[n-]1 ZINC000770517733 577597921 /nfs/dbraw/zinc/59/79/21/577597921.db2.gz IZBBIZBALOYCIM-SECBINFHSA-N -1 0 333.300 2.325 20 5 EEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)C(C)C ZINC000764604245 577739782 /nfs/dbraw/zinc/73/97/82/577739782.db2.gz HTLUPLHVHKGLTP-UHFFFAOYSA-N -1 0 332.403 2.175 20 5 EEBDRM O=C(NCc1cccc2c1OCCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755231668 577822160 /nfs/dbraw/zinc/82/21/60/577822160.db2.gz OHFVECPHSPEBBJ-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2nc3c(s2)COCC3)cc([N+](=O)[O-])c1 ZINC000738673590 578023439 /nfs/dbraw/zinc/02/34/39/578023439.db2.gz SDJSCXRUTAVYSB-UHFFFAOYSA-N -1 0 349.324 2.075 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1[N+](=O)[O-] ZINC000738906959 578030592 /nfs/dbraw/zinc/03/05/92/578030592.db2.gz ZCUUALIRHICZLX-UHFFFAOYSA-N -1 0 337.267 2.118 20 5 EEBDRM Nc1nc(Nc2cccc(CSCCC(=O)[O-])c2)ncc1[N+](=O)[O-] ZINC000739202688 578043817 /nfs/dbraw/zinc/04/38/17/578043817.db2.gz LKRUQDVNRFZOEV-UHFFFAOYSA-N -1 0 349.372 2.419 20 5 EEBDRM O=C([O-])c1cc(NC(=O)COc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000739324753 578048586 /nfs/dbraw/zinc/04/85/86/578048586.db2.gz SUMXZSQJGRTWDH-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000739823481 578069071 /nfs/dbraw/zinc/06/90/71/578069071.db2.gz AONCFWFKCXXCEA-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000740522411 578097231 /nfs/dbraw/zinc/09/72/31/578097231.db2.gz COHRRVYILTZMJO-UHFFFAOYSA-N -1 0 348.380 2.378 20 5 EEBDRM CC(C)(CC(=O)[O-])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000736307993 578194695 /nfs/dbraw/zinc/19/46/95/578194695.db2.gz RLVATTAYKULLNI-UHFFFAOYSA-N -1 0 344.751 2.387 20 5 EEBDRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000736312278 578194923 /nfs/dbraw/zinc/19/49/23/578194923.db2.gz JJYQQJSINPUIKT-UHFFFAOYSA-N -1 0 335.360 2.178 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000819385248 597051891 /nfs/dbraw/zinc/05/18/91/597051891.db2.gz JEWFUFAQTUYDHJ-SNVBAGLBSA-N -1 0 333.344 2.171 20 5 EEBDRM CC(C)[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000817943778 597201903 /nfs/dbraw/zinc/20/19/03/597201903.db2.gz WWXKJLFIZBPNBM-SNVBAGLBSA-N -1 0 347.274 2.427 20 5 EEBDRM COc1ccc(CNC(=O)c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000820836741 598139994 /nfs/dbraw/zinc/13/99/94/598139994.db2.gz GBDBXJQWAYXZAN-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM Cc1c(CC(=O)NCc2cccc(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000820945072 598184831 /nfs/dbraw/zinc/18/48/31/598184831.db2.gz RUKANEMBZXQEIN-UHFFFAOYSA-N -1 0 328.324 2.460 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NCCC(F)(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704226 600826762 /nfs/dbraw/zinc/82/67/62/600826762.db2.gz WALQFGILOTVYSI-SSDOTTSWSA-N -1 0 349.265 2.162 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCC[C@H](O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000833298548 600922042 /nfs/dbraw/zinc/92/20/42/600922042.db2.gz ZGMVYIBJWJILSF-HNNXBMFYSA-N -1 0 344.323 2.147 20 5 EEBDRM CCOc1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000830104900 601061434 /nfs/dbraw/zinc/06/14/34/601061434.db2.gz YPKUCRGNOLXTNJ-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM C/C(=C\COC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000825769456 601426706 /nfs/dbraw/zinc/42/67/06/601426706.db2.gz QMXWNGZDWDSEIV-XBXARRHUSA-N -1 0 332.268 2.036 20 5 EEBDRM CCC1(CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000829065450 601786598 /nfs/dbraw/zinc/78/65/98/601786598.db2.gz GGBZSYYKIMZJGI-UHFFFAOYSA-N -1 0 335.360 2.401 20 5 EEBDRM Nc1c(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000831259103 603456565 /nfs/dbraw/zinc/45/65/65/603456565.db2.gz DFBTVRDEZWEKEP-UHFFFAOYSA-N -1 0 344.327 2.239 20 5 EEBDRM NC(=O)C[C@@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833080775 604271401 /nfs/dbraw/zinc/27/14/01/604271401.db2.gz VMVQPAWXKNNYOL-QMMMGPOBSA-N -1 0 341.751 2.038 20 5 EEBDRM CCOc1cc(N(CCC(=O)[O-])C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000833661048 604832853 /nfs/dbraw/zinc/83/28/53/604832853.db2.gz ZNKZWRBYRWOVET-CYBMUJFWSA-N -1 0 338.360 2.454 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000833503411 605021825 /nfs/dbraw/zinc/02/18/25/605021825.db2.gz BAUYBSFEVYYVEO-ZDUSSCGKSA-N -1 0 349.343 2.026 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000833772904 605124051 /nfs/dbraw/zinc/12/40/51/605124051.db2.gz LUMRWEGTEPKBHR-VIFPVBQESA-N -1 0 344.270 2.179 20 5 EEBDRM Cc1nc(C)n([C@H]2CCCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC000833755704 605183287 /nfs/dbraw/zinc/18/32/87/605183287.db2.gz YJRNNMLEJCNZEU-ZDUSSCGKSA-N -1 0 345.359 2.343 20 5 EEBDRM CC1(C)CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000833558371 605402557 /nfs/dbraw/zinc/40/25/57/605402557.db2.gz JKCZSZMXGJDYBV-SECBINFHSA-N -1 0 342.373 2.150 20 5 EEBDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000179601604 679957112 /nfs/dbraw/zinc/95/71/12/679957112.db2.gz AZIASJZGULGGRC-LLVKDONJSA-N -1 0 328.390 2.472 20 5 EEBDRM Cc1nnc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000122158634 1201809234 /nfs/dbraw/zinc/80/92/34/1201809234.db2.gz GYMIBHHYVGLURW-UHFFFAOYSA-N -1 0 334.766 2.209 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c(F)ccc1[N+](=O)[O-] ZINC000800052202 1202202178 /nfs/dbraw/zinc/20/21/78/1202202178.db2.gz KPYFEXMKHOJIHG-UHFFFAOYSA-N -1 0 348.743 2.230 20 5 EEBDRM O=C(NC[C@H](O)c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779672487 1210748097 /nfs/dbraw/zinc/74/80/97/1210748097.db2.gz GGHYYOFDPUCLQA-AWEZNQCLSA-N -1 0 336.731 2.417 20 5 EEBDRM COCCN(CCC(=O)[O-])c1c(Br)cccc1[N+](=O)[O-] ZINC000900978672 1235072316 /nfs/dbraw/zinc/07/23/16/1235072316.db2.gz NSTRNWBZVHGSAS-UHFFFAOYSA-N -1 0 347.165 2.285 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C1(F)CCCCC1 ZINC000850886401 1277380162 /nfs/dbraw/zinc/38/01/62/1277380162.db2.gz UZKFQKSAFCLEER-UHFFFAOYSA-N -1 0 348.327 2.211 20 5 EEBDRM Cc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000115924730 1294038890 /nfs/dbraw/zinc/03/88/90/1294038890.db2.gz BGZDISKMFHDVKM-UHFFFAOYSA-N -1 0 348.380 2.259 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H](C)c2cccs2)c1[N+](=O)[O-] ZINC001226017920 1301235097 /nfs/dbraw/zinc/23/50/97/1301235097.db2.gz ITZWCQSMXCYCEK-SSDOTTSWSA-N -1 0 339.329 2.469 20 5 EEBDRM CC[C@H](C)CC[C@@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226650016 1301493947 /nfs/dbraw/zinc/49/39/47/1301493947.db2.gz NEQOQLFHWJAOOC-DTWKUNHWSA-N -1 0 327.337 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](C)c2cccc(OC)c2)c1[N+](=O)[O-] ZINC001226648948 1301493964 /nfs/dbraw/zinc/49/39/64/1301493964.db2.gz GQUGJOUSUGDPIW-MRVPVSSYSA-N -1 0 349.299 2.026 20 5 EEBDRM Cc1nn(C)cc1[C@@H](C)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227092830 1301684030 /nfs/dbraw/zinc/68/40/30/1301684030.db2.gz QOUQKFPRBLDMPK-SECBINFHSA-N -1 0 329.316 2.426 20 5 EEBDRM O=c1[n-]nc(O[C@H](C[N+](=O)[O-])c2cccnc2)c(Cl)c1Cl ZINC001227601939 1301904443 /nfs/dbraw/zinc/90/44/43/1301904443.db2.gz JIYFVVDIZUZJQY-SSDOTTSWSA-N -1 0 331.115 2.281 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)c2cnn(C)c2C)cc1[O-] ZINC001228809836 1302459623 /nfs/dbraw/zinc/45/96/23/1302459623.db2.gz HYRMGVYERAIJCN-VIFPVBQESA-N -1 0 335.316 2.269 20 5 EEBDRM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780684988 1303685824 /nfs/dbraw/zinc/68/58/24/1303685824.db2.gz RSUNOGMSXLDLSR-AGIUHOORSA-N -1 0 340.426 2.410 20 5 EEBDRM COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1[N+](=O)[O-] ZINC000782815285 1304127074 /nfs/dbraw/zinc/12/70/74/1304127074.db2.gz PRXVEVIXKVKABF-UHFFFAOYSA-N -1 0 333.256 2.470 20 5 EEBDRM C[C@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001117831601 1306183022 /nfs/dbraw/zinc/18/30/22/1306183022.db2.gz RPVYHPXTMCJVNC-IINYFYTJSA-N -1 0 326.374 2.226 20 5 EEBDRM CC(C)c1noc(CCC(=O)OCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000837440548 1315081873 /nfs/dbraw/zinc/08/18/73/1315081873.db2.gz NOAKEQSVLYBFHS-UHFFFAOYSA-N -1 0 335.316 2.483 20 5 EEBDRM Cc1cc(N[C@@H]2SC(=O)[N-]C2=O)c([N+](=O)[O-])cc1Br ZINC001163674665 1321189549 /nfs/dbraw/zinc/18/95/49/1321189549.db2.gz QLQBYAIQVPTLQX-SECBINFHSA-N -1 0 346.162 2.387 20 5 EEBDRM CCOC(=O)c1nn(-c2ccc([O-])c([N+](=O)[O-])c2)c2ccc(N)cc12 ZINC001210399863 1325266662 /nfs/dbraw/zinc/26/66/62/1325266662.db2.gz YABGIBMAVRSZOY-UHFFFAOYSA-N -1 0 342.311 2.398 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC001601287077 1350249234 /nfs/dbraw/zinc/24/92/34/1350249234.db2.gz BHBRDEAFMCFPBU-UHFFFAOYSA-N -1 0 347.302 2.076 20 5 EEBDRM O=C([O-])c1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)on1 ZINC001602241863 1350474162 /nfs/dbraw/zinc/47/41/62/1350474162.db2.gz BKACARPKKDMQQX-UHFFFAOYSA-N -1 0 331.284 2.086 20 5 EEBDRM Nc1ccc(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001608272672 1351660365 /nfs/dbraw/zinc/66/03/65/1351660365.db2.gz YECQXJNKFJIZLO-AWEZNQCLSA-N -1 0 330.296 2.030 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2C[C@@H]2Cc2ccccc2)ccc1[O-] ZINC001309202935 1331621934 /nfs/dbraw/zinc/62/19/34/1331621934.db2.gz WNZGJLODUXPNCI-JSGCOSHPSA-N -1 0 348.380 2.210 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001608623112 1351728365 /nfs/dbraw/zinc/72/83/65/1351728365.db2.gz LRMPVFJDBWCONH-BDAKNGLRSA-N -1 0 338.272 2.299 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCc2noc3c2COCC3)c([N+](=O)[O-])c1 ZINC001608660814 1351736680 /nfs/dbraw/zinc/73/66/80/1351736680.db2.gz BPOWREVKHWVORA-RQOWECAXSA-N -1 0 345.311 2.365 20 5 EEBDRM O=C([O-])COc1ccc(CNc2ccc(C3CC3)nn2)cc1[N+](=O)[O-] ZINC001608760299 1351756703 /nfs/dbraw/zinc/75/67/03/1351756703.db2.gz YHLGDXAGZJYUQT-UHFFFAOYSA-N -1 0 344.327 2.338 20 5 EEBDRM O=C([O-])c1c(Cl)c(NCc2nncn2C2CC2)ccc1[N+](=O)[O-] ZINC001608830569 1351773597 /nfs/dbraw/zinc/77/35/97/1351773597.db2.gz UCIJVALOBNOLJU-UHFFFAOYSA-N -1 0 337.723 2.485 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCC(O)(C(F)(F)F)CC2)n1 ZINC001608915056 1351793579 /nfs/dbraw/zinc/79/35/79/1351793579.db2.gz BFMAFEDXCMBZAS-UHFFFAOYSA-N -1 0 349.265 2.336 20 5 EEBDRM O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001608925293 1351795688 /nfs/dbraw/zinc/79/56/88/1351795688.db2.gz YFJWEPXUCIJVTR-UHFFFAOYSA-N -1 0 342.307 2.328 20 5 EEBDRM O=C([O-])c1ccnc(N2CCCC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001608952612 1351801938 /nfs/dbraw/zinc/80/19/38/1351801938.db2.gz DZDSJPJBLGXDLA-NEPJUHHUSA-N -1 0 335.360 2.331 20 5 EEBDRM O=C([O-])c1nn(CC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001609003801 1351812213 /nfs/dbraw/zinc/81/22/13/1351812213.db2.gz CQIJTJNUOZGRSP-YUMQZZPRSA-N -1 0 349.265 2.427 20 5 EEBDRM O=Cc1ccc(F)c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001609049137 1351823469 /nfs/dbraw/zinc/82/34/69/1351823469.db2.gz GLRNCHVMPYRZGL-UHFFFAOYSA-N -1 0 332.243 2.497 20 5 EEBDRM CC(C)(C)C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)[O-] ZINC001609656457 1352051422 /nfs/dbraw/zinc/05/14/22/1352051422.db2.gz WOGAEHVNGNQMBG-SNVBAGLBSA-N -1 0 328.296 2.362 20 5 EEBDRM CC(C)c1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(C(=O)[O-])c1 ZINC001609720015 1352068097 /nfs/dbraw/zinc/06/80/97/1352068097.db2.gz GXQBVELEDUUHSL-UHFFFAOYSA-N -1 0 332.316 2.252 20 5 EEBDRM Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001339927573 1337098348 /nfs/dbraw/zinc/09/83/48/1337098348.db2.gz VMWKKXKWDXIIRK-TXEJJXNPSA-N -1 0 341.371 2.498 20 5 EEBDRM CC[C@H]1CCCCN1C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001609951336 1352127680 /nfs/dbraw/zinc/12/76/80/1352127680.db2.gz JOYMRZNLEOKWQN-NSHDSACASA-N -1 0 336.344 2.463 20 5 EEBDRM Cc1c(NC(=O)NCC[C@H]2CCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610424934 1352220760 /nfs/dbraw/zinc/22/07/60/1352220760.db2.gz RPPQULMRKTZFCL-JTQLQIEISA-N -1 0 337.332 2.150 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001610479194 1352229430 /nfs/dbraw/zinc/22/94/30/1352229430.db2.gz AAKKQZVGKNLXHG-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cn1ccc(NCCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])n1 ZINC001610607871 1352253078 /nfs/dbraw/zinc/25/30/78/1352253078.db2.gz GPZVSIHTIJUKEY-UHFFFAOYSA-N -1 0 339.739 2.204 20 5 EEBDRM O=C([O-])[C@H]1CCc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2C1 ZINC001610712743 1352263593 /nfs/dbraw/zinc/26/35/93/1352263593.db2.gz NOFGFNMMYCBWIY-VIFPVBQESA-N -1 0 347.352 2.493 20 5 EEBDRM O=C([O-])[C@H]1CCCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001610742127 1352267367 /nfs/dbraw/zinc/26/73/67/1352267367.db2.gz UJEPXXVOJDBZTB-CYBMUJFWSA-N -1 0 346.343 2.474 20 5 EEBDRM O=C([O-])c1cccc(S(=O)(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC001610849924 1352285260 /nfs/dbraw/zinc/28/52/60/1352285260.db2.gz ODBPUEDPGULLJW-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM O=C([O-])c1cnc(N2Cc3ccc([N+](=O)[O-])cc3C2)c([N+](=O)[O-])c1 ZINC001610861221 1352286768 /nfs/dbraw/zinc/28/67/68/1352286768.db2.gz FTUXHRKOOVYBOS-UHFFFAOYSA-N -1 0 330.256 2.116 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC001600219083 1349995630 /nfs/dbraw/zinc/99/56/30/1349995630.db2.gz OPXIIIHBRMVTKJ-CYBMUJFWSA-N -1 0 344.776 2.247 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001600354253 1350027679 /nfs/dbraw/zinc/02/76/79/1350027679.db2.gz PQUSWRKGHSOALW-AWEZNQCLSA-N -1 0 330.296 2.274 20 5 EEBDRM Cc1ccc(O)c(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001600465388 1350058422 /nfs/dbraw/zinc/05/84/22/1350058422.db2.gz WXLCGOPIQYOCRJ-QGZVFWFLSA-N -1 0 344.323 2.339 20 5 EEBDRM Cc1cnn(CCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001600639218 1350103752 /nfs/dbraw/zinc/10/37/52/1350103752.db2.gz YTUHRFSDFXKJCY-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM Cc1nn(C)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1C(=O)[O-] ZINC001600774718 1350133585 /nfs/dbraw/zinc/13/35/85/1350133585.db2.gz WZEGRKNHUKREIW-UHFFFAOYSA-N -1 0 338.707 2.241 20 5 EEBDRM NC(=O)c1cc(Nc2ccc(CCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001601162203 1350222659 /nfs/dbraw/zinc/22/26/59/1350222659.db2.gz HYEPUSALLURESN-UHFFFAOYSA-N -1 0 329.312 2.455 20 5 EEBDRM Nc1ccc(N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)nc1[N+](=O)[O-] ZINC001601216010 1350233445 /nfs/dbraw/zinc/23/34/45/1350233445.db2.gz VCKIQLOXAVLDHB-MRVPVSSYSA-N -1 0 349.372 2.111 20 5 EEBDRM Nc1nccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001601221494 1350235729 /nfs/dbraw/zinc/23/57/29/1350235729.db2.gz DSHGOHSPBMYAIY-UHFFFAOYSA-N -1 0 336.691 2.176 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC001601341872 1350261554 /nfs/dbraw/zinc/26/15/54/1350261554.db2.gz LIMGWVJMWTUMLF-UHFFFAOYSA-N -1 0 336.325 2.050 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)NCc2cccs2)c([N+](=O)[O-])c1 ZINC001601341676 1350261744 /nfs/dbraw/zinc/26/17/44/1350261744.db2.gz CCWFFSHJNISZPN-UHFFFAOYSA-N -1 0 336.325 2.050 20 5 EEBDRM O=C([O-])c1sccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001601506614 1350297223 /nfs/dbraw/zinc/29/72/23/1350297223.db2.gz NXVJDUNQCBCUEP-UHFFFAOYSA-N -1 0 336.325 2.163 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001601571317 1350309740 /nfs/dbraw/zinc/30/97/40/1350309740.db2.gz DZWIKMAJLCOMMM-DOMZBBRYSA-N -1 0 336.347 2.274 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC001601578043 1350311096 /nfs/dbraw/zinc/31/10/96/1350311096.db2.gz FKLPWGRKVXRYDJ-HSJGXTKPSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCOC1 ZINC001601654379 1350329069 /nfs/dbraw/zinc/32/90/69/1350329069.db2.gz BRVSBRQEGJEWRQ-ZYHUDNBSSA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])[C@]1(CNc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC001601709658 1350344813 /nfs/dbraw/zinc/34/48/13/1350344813.db2.gz IGUOSRUSTTZWOE-LBPRGKRZSA-N -1 0 345.149 2.261 20 5 EEBDRM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001601752979 1350356768 /nfs/dbraw/zinc/35/67/68/1350356768.db2.gz LMZOGWAOFOTITM-PWSUYJOCSA-N -1 0 349.170 2.312 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001601932042 1350400183 /nfs/dbraw/zinc/40/01/83/1350400183.db2.gz ROBRVEDIAQMABS-UHFFFAOYSA-N -1 0 343.133 2.094 20 5 EEBDRM O=C([O-])CC1CC(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001601942548 1350402078 /nfs/dbraw/zinc/40/20/78/1350402078.db2.gz JZPSRRARBMRYAB-UHFFFAOYSA-N -1 0 332.356 2.386 20 5 EEBDRM O=C([O-])CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC001602060753 1350430206 /nfs/dbraw/zinc/43/02/06/1350430206.db2.gz USSMHIJVLSZTJF-UHFFFAOYSA-N -1 0 346.343 2.474 20 5 EEBDRM O=C([O-])Cc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC001602129480 1350446226 /nfs/dbraw/zinc/44/62/26/1350446226.db2.gz CHCOLRBKNKFESS-UHFFFAOYSA-N -1 0 331.280 2.206 20 5 EEBDRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001602172007 1350456996 /nfs/dbraw/zinc/45/69/96/1350456996.db2.gz BCWAVDXQYIYPFN-VIFPVBQESA-N -1 0 340.238 2.275 20 5 EEBDRM O=C([O-])c1c(Cl)c(NC[C@H](O)C2CCOCC2)ccc1[N+](=O)[O-] ZINC001602232583 1350471713 /nfs/dbraw/zinc/47/17/13/1350471713.db2.gz KMAWZFWMHUCFDL-NSHDSACASA-N -1 0 344.751 2.146 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@H]2CCC3(CCC3)CO2)cc([N+](=O)[O-])c1 ZINC001602246218 1350475407 /nfs/dbraw/zinc/47/54/07/1350475407.db2.gz LQQMPXNBFAMPSQ-CQSZACIVSA-N -1 0 348.355 2.372 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2noc3c2CCCC3)cc([N+](=O)[O-])c1 ZINC001602246974 1350475634 /nfs/dbraw/zinc/47/56/34/1350475634.db2.gz HDGZLEHWEJSNHZ-UHFFFAOYSA-N -1 0 345.311 2.090 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cc3cc[nH]c3cn2)cc([N+](=O)[O-])c1 ZINC001602247998 1350475840 /nfs/dbraw/zinc/47/58/40/1350475840.db2.gz RZZGBXURDDGEQR-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2cnc(Cl)s2)cc([N+](=O)[O-])c1 ZINC001602247436 1350475890 /nfs/dbraw/zinc/47/58/90/1350475890.db2.gz OLBDTTFMCGARFH-UHFFFAOYSA-N -1 0 341.732 2.333 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCN2CCc3ccccc32)n1 ZINC001602405761 1350511836 /nfs/dbraw/zinc/51/18/36/1350511836.db2.gz KRFPVMFUBPWYFF-UHFFFAOYSA-N -1 0 328.328 2.163 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCOc2ccc(Cl)cn2)n1 ZINC001602405701 1350511872 /nfs/dbraw/zinc/51/18/72/1350511872.db2.gz GNKRKUVSNHLWTJ-UHFFFAOYSA-N -1 0 338.707 2.227 20 5 EEBDRM O=C([O-])c1sccc1S(=O)(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001602598772 1350554126 /nfs/dbraw/zinc/55/41/26/1350554126.db2.gz STZXTBJRGSOBLQ-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM O=C([O-])c1ccoc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001602620324 1350559691 /nfs/dbraw/zinc/55/96/91/1350559691.db2.gz JMMMUDQMDZAGQQ-UHFFFAOYSA-N -1 0 349.251 2.014 20 5 EEBDRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N(C)CC(F)(F)F ZINC001603175990 1350656372 /nfs/dbraw/zinc/65/63/72/1350656372.db2.gz YUWJZCVDIRFJJO-ZETCQYMHSA-N -1 0 349.265 2.114 20 5 EEBDRM C[C@@](NC(=O)Cc1ccccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604277796 1350907836 /nfs/dbraw/zinc/90/78/36/1350907836.db2.gz OZEIOSXKONYKFW-KRWDZBQOSA-N -1 0 328.324 2.254 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001604449433 1350940270 /nfs/dbraw/zinc/94/02/70/1350940270.db2.gz ASWGPPVTEPCCHJ-MRVPVSSYSA-N -1 0 348.340 2.202 20 5 EEBDRM CC[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC001605116169 1351080711 /nfs/dbraw/zinc/08/07/11/1351080711.db2.gz LAWSDMUZLLEEJD-HZMBPMFUSA-N -1 0 347.327 2.437 20 5 EEBDRM CCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC001605395060 1351153151 /nfs/dbraw/zinc/15/31/51/1351153151.db2.gz LVNOKCMOCTXWNU-UHFFFAOYSA-N -1 0 338.360 2.384 20 5 EEBDRM CNc1c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC001606308678 1351291324 /nfs/dbraw/zinc/29/13/24/1351291324.db2.gz MRSHUROIZQOEAR-ZDUSSCGKSA-N -1 0 343.339 2.235 20 5 EEBDRM CO[C@@H]1CN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)[C@](C)(C(=O)[O-])C1 ZINC001606761118 1351353154 /nfs/dbraw/zinc/35/31/54/1351353154.db2.gz QOTPIBHKEPACHA-RMHUIEEYSA-N -1 0 348.355 2.089 20 5 EEBDRM COc1cc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)ccc1[N+](=O)[O-] ZINC001607076090 1351407016 /nfs/dbraw/zinc/40/70/16/1351407016.db2.gz RFYQBBKNVTWJBQ-GFCCVEGCSA-N -1 0 336.344 2.367 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC001607512656 1351508731 /nfs/dbraw/zinc/50/87/31/1351508731.db2.gz DPGRPAXOBHHDAU-JTQLQIEISA-N -1 0 345.355 2.360 20 5 EEBDRM Cc1ccc(C[C@H](OC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC001607774021 1351556016 /nfs/dbraw/zinc/55/60/16/1351556016.db2.gz UWPVLERIYPYZDS-HNNXBMFYSA-N -1 0 344.323 2.338 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001607826520 1351566513 /nfs/dbraw/zinc/56/65/13/1351566513.db2.gz UNWWKWBSOXIKIG-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cn1ncc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C1CC1 ZINC001608159680 1351637956 /nfs/dbraw/zinc/63/79/56/1351637956.db2.gz QUYVESZGMSBKQO-UHFFFAOYSA-N -1 0 330.300 2.156 20 5 EEBDRM Nc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1[N+](=O)[O-] ZINC000105589803 1368740967 /nfs/dbraw/zinc/74/09/67/1368740967.db2.gz NZXVQOHTGRRLAR-UHFFFAOYSA-N -1 0 347.274 2.395 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000119322453 1369557063 /nfs/dbraw/zinc/55/70/63/1369557063.db2.gz QZJUJPIZODERMZ-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000794618117 1369587159 /nfs/dbraw/zinc/58/71/59/1369587159.db2.gz GGHQIAGGPVBUMW-UHFFFAOYSA-N -1 0 346.299 2.051 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C2CC(C)(C)C2)cc([N+](=O)[O-])c1C ZINC000796723556 1371460303 /nfs/dbraw/zinc/46/03/03/1371460303.db2.gz MCFXTZNJKQEBTB-UHFFFAOYSA-N -1 0 340.401 2.453 20 5 EEBDRM CCn1ccc(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000848592694 1373160275 /nfs/dbraw/zinc/16/02/75/1373160275.db2.gz XZVYQVQNDPHGGI-UHFFFAOYSA-N -1 0 340.286 2.099 20 5 EEBDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000785076023 759911627 /nfs/dbraw/zinc/91/16/27/759911627.db2.gz BCSUPJQYKHLIFY-QMMMGPOBSA-N -1 0 326.330 2.199 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2C2CCOCC2)cc([N+](=O)[O-])c1 ZINC000263578113 775776103 /nfs/dbraw/zinc/77/61/03/775776103.db2.gz SHGZZRQEMUJNEA-HNNXBMFYSA-N -1 0 348.355 2.324 20 5 EEBDRM Cc1ccc(N2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2=O)cc1 ZINC000809687512 783307040 /nfs/dbraw/zinc/30/70/40/783307040.db2.gz IHFDFRXEQPIGFC-UHFFFAOYSA-N -1 0 341.367 2.458 20 5 EEBDRM COc1ccccc1OCCN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436960822 783708372 /nfs/dbraw/zinc/70/83/72/783708372.db2.gz RQDFWQISEDQEKI-UHFFFAOYSA-N -1 0 346.339 2.460 20 5 EEBDRM C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000820517024 785951355 /nfs/dbraw/zinc/95/13/55/785951355.db2.gz ZULDZZLXCZYCAS-UWVGGRQHSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1ccn2ncnc2c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000820800529 786479066 /nfs/dbraw/zinc/47/90/66/786479066.db2.gz SGMLXJAKBFBTSN-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000821124124 786609593 /nfs/dbraw/zinc/60/95/93/786609593.db2.gz NXRBGKRMUMHPNN-UHFFFAOYSA-N -1 0 347.418 2.130 20 5 EEBDRM COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000844219405 788910039 /nfs/dbraw/zinc/91/00/39/788910039.db2.gz VAYFVDJLBCPQRN-MRXNPFEDSA-N -1 0 338.360 2.059 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000844214585 788933154 /nfs/dbraw/zinc/93/31/54/788933154.db2.gz IDRUKTPVBNFNGH-KGLIPLIRSA-N -1 0 334.372 2.475 20 5 EEBDRM CC(C)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1[N+](=O)[O-] ZINC000263479045 939114117 /nfs/dbraw/zinc/11/41/17/939114117.db2.gz AEDVZVXFKYDTAD-OAHLLOKOSA-N -1 0 338.385 2.408 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C(=O)[O-])cc1 ZINC000346018449 939128904 /nfs/dbraw/zinc/12/89/04/939128904.db2.gz QOZFQAUNIZTTPS-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001589271723 953414261 /nfs/dbraw/zinc/41/42/61/953414261.db2.gz GBGTVZCKVJRUCS-NXEZZACHSA-N -1 0 331.328 2.259 20 5 EEBDRM O=C([O-])[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC001594831977 953977220 /nfs/dbraw/zinc/97/72/20/953977220.db2.gz ZSWWGUGUYXNEHU-HNNXBMFYSA-N -1 0 348.355 2.075 20 5 EEBDRM O=C([O-])C1(CCn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CCC1 ZINC001594880176 954420991 /nfs/dbraw/zinc/42/09/91/954420991.db2.gz WMEWKCAZMXZORK-UHFFFAOYSA-N -1 0 333.300 2.057 20 5 EEBDRM O=C([O-])C1CC2(C1)CC[C@H](CNc1nc3cc([N+](=O)[O-])ccc3[nH]1)O2 ZINC001594906440 954680258 /nfs/dbraw/zinc/68/02/58/954680258.db2.gz AWKREYGTGWJWQB-JRKQCGKRSA-N -1 0 346.343 2.295 20 5 EEBDRM Cn1c2ccccc2c(N[C@H]2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1=O ZINC001594517412 955421727 /nfs/dbraw/zinc/42/17/27/955421727.db2.gz VZXPKKOLNUYPGD-ZJUUUORDSA-N -1 0 331.328 2.112 20 5 EEBDRM COCCN(CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000840995537 955584515 /nfs/dbraw/zinc/58/45/15/955584515.db2.gz TTXMIITWHZOPBH-UHFFFAOYSA-N -1 0 337.159 2.435 20 5 EEBDRM C[C@H](OC(=O)C1(CC(=O)[O-])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001589158151 956380649 /nfs/dbraw/zinc/38/06/49/956380649.db2.gz BUVOBGXGQVUEQK-NSHDSACASA-N -1 0 337.328 2.471 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC001594688023 956723810 /nfs/dbraw/zinc/72/38/10/956723810.db2.gz BHHSKMAOIQLSTH-UHFFFAOYSA-N -1 0 331.284 2.096 20 5 EEBDRM C[C@@H](CNC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1[N+](=O)[O-] ZINC001603176590 972278747 /nfs/dbraw/zinc/27/87/47/972278747.db2.gz KQOMEQHUMCZWON-NSHDSACASA-N -1 0 335.360 2.252 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001574809869 957871432 /nfs/dbraw/zinc/87/14/32/957871432.db2.gz UOJRMEBQEZBADF-UHFFFAOYSA-N -1 0 332.287 2.291 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC001594330065 958209946 /nfs/dbraw/zinc/20/99/46/958209946.db2.gz ZCCZXYODQNUFEU-VIFPVBQESA-N -1 0 326.736 2.493 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001594331666 958231584 /nfs/dbraw/zinc/23/15/84/958231584.db2.gz VRUGEFIVGIYAKW-CQSZACIVSA-N -1 0 344.327 2.116 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000093433721 958245741 /nfs/dbraw/zinc/24/57/41/958245741.db2.gz OIFPWTXJKOXIPM-HTRCEHHLSA-N -1 0 330.138 2.052 20 5 EEBDRM C[C@@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001594200687 959248445 /nfs/dbraw/zinc/24/84/45/959248445.db2.gz JSNRWNPRZUNUPG-MPKXVKKWSA-N -1 0 336.344 2.042 20 5 EEBDRM CC(C)(C)CC[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001588644707 959722760 /nfs/dbraw/zinc/72/27/60/959722760.db2.gz ALKFMMDGJHRDFZ-OLZOCXBDSA-N -1 0 338.360 2.024 20 5 EEBDRM CCOc1cc(NC(=O)c2ccc(C(=O)[O-])cn2)ccc1[N+](=O)[O-] ZINC001573920096 961526270 /nfs/dbraw/zinc/52/62/70/961526270.db2.gz BYCKMTQQEPDHHK-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)OCCOc1ccccc1C(=O)[O-] ZINC001610563663 970754420 /nfs/dbraw/zinc/75/44/20/970754420.db2.gz QJRREAIJGZCIMU-UHFFFAOYSA-N -1 0 346.295 2.232 20 5 EEBDRM CSc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1[N+](=O)[O-] ZINC001604971688 972564407 /nfs/dbraw/zinc/56/44/07/972564407.db2.gz JJTZJWAYLLIGEZ-UWVGGRQHSA-N -1 0 338.385 2.500 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001606090748 973259583 /nfs/dbraw/zinc/25/95/83/973259583.db2.gz QTOMDRIKWZZIKO-NSHDSACASA-N -1 0 338.335 2.380 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605421396 973445821 /nfs/dbraw/zinc/44/58/21/973445821.db2.gz WGAPQWNOKABZRZ-LSDHHAIUSA-N -1 0 341.323 2.341 20 5 EEBDRM COc1cc(Nc2cnn(CC(=O)[O-])c2)c(Cl)cc1[N+](=O)[O-] ZINC001604731068 973930239 /nfs/dbraw/zinc/93/02/39/973930239.db2.gz BEAHEUYDKKDPBM-UHFFFAOYSA-N -1 0 326.696 2.282 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001591712744 975610200 /nfs/dbraw/zinc/61/02/00/975610200.db2.gz XKIUHHCTBVNFNH-CYBMUJFWSA-N -1 0 332.303 2.183 20 5 EEBDRM CC(C)Oc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001591788365 975972683 /nfs/dbraw/zinc/97/26/83/975972683.db2.gz DORYLEJGIOAXBZ-UHFFFAOYSA-N -1 0 348.315 2.066 20 5 EEBDRM C[C@@H](CC(=O)[O-])C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001592356416 977836782 /nfs/dbraw/zinc/83/67/82/977836782.db2.gz MKTTUDXFHZSHOC-ZETCQYMHSA-N -1 0 334.250 2.341 20 5 EEBDRM CCCCCCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000828806667 978988092 /nfs/dbraw/zinc/98/80/92/978988092.db2.gz BEAQRTMIYCZZSE-UHFFFAOYSA-N -1 0 330.362 2.152 20 5 EEBDRM C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001592728184 979235321 /nfs/dbraw/zinc/23/53/21/979235321.db2.gz CFONGBYTSMQRFQ-MRVPVSSYSA-N -1 0 325.321 2.078 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000863479896 979672397 /nfs/dbraw/zinc/67/23/97/979672397.db2.gz CPONUVXVUUNTEY-SNVBAGLBSA-N -1 0 329.312 2.159 20 5 EEBDRM C[C@@H](Cn1cncn1)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001592930051 979964042 /nfs/dbraw/zinc/96/40/42/979964042.db2.gz QJEMFIHNVPVNSQ-ZETCQYMHSA-N -1 0 325.712 2.039 20 5 EEBDRM CCCC[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001595636308 981915708 /nfs/dbraw/zinc/91/57/08/981915708.db2.gz LKYGYQANJHABLZ-SECBINFHSA-N -1 0 329.740 2.204 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001594901065 982354691 /nfs/dbraw/zinc/35/46/91/982354691.db2.gz DFTAMJVTEPDCOA-HZMBPMFUSA-N -1 0 340.401 2.444 20 5 EEBDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001116491619 982931604 /nfs/dbraw/zinc/93/16/04/982931604.db2.gz VJCWRVGIZNZNTK-CQSZACIVSA-N -1 0 343.339 2.431 20 5 EEBDRM CCCn1nccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001596122219 983461446 /nfs/dbraw/zinc/46/14/46/983461446.db2.gz VTDCCHXCVWIRCX-UHFFFAOYSA-N -1 0 332.316 2.460 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001589000627 984940862 /nfs/dbraw/zinc/94/08/62/984940862.db2.gz CDIOQSZGEOAPID-JXMROGBWSA-N -1 0 344.327 2.226 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001589002328 984947233 /nfs/dbraw/zinc/94/72/33/984947233.db2.gz PQBBMWPECUYFST-BENRWUELSA-N -1 0 348.355 2.138 20 5 EEBDRM C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@]1(C)C(=O)[O-] ZINC001599932321 985337168 /nfs/dbraw/zinc/33/71/68/985337168.db2.gz KIVFFQZSGXTHEX-FVMDXXJSSA-N -1 0 333.344 2.027 20 5 EEBDRM CC(=O)c1ccc2c(c1)CN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC001589305774 986070591 /nfs/dbraw/zinc/07/05/91/986070591.db2.gz OBHOEBAHBQCLLR-UHFFFAOYSA-N -1 0 327.296 2.411 20 5 EEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)[O-])C2CC2)cc1OC ZINC001597045288 986507650 /nfs/dbraw/zinc/50/76/50/986507650.db2.gz WCUQFGTTXDMRSH-ZDUSSCGKSA-N -1 0 339.300 2.022 20 5 EEBDRM CCc1n[nH]c(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC001597399288 987656904 /nfs/dbraw/zinc/65/69/04/987656904.db2.gz CPJMOWPJRUGCKO-OAHLLOKOSA-N -1 0 338.364 2.034 20 5 EEBDRM CC(C)(C)[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC001589720800 987884016 /nfs/dbraw/zinc/88/40/16/987884016.db2.gz ROHQBBWCMMBFOB-GFCCVEGCSA-N -1 0 334.332 2.234 20 5 EEBDRM CSc1ccc(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001599809806 988314076 /nfs/dbraw/zinc/31/40/76/988314076.db2.gz SLZRLMZQJINTBD-MWLCHTKSSA-N -1 0 338.385 2.500 20 5 EEBDRM CSc1cccc(C(=O)Nc2cc(C(=O)[O-])nn2C)c1[N+](=O)[O-] ZINC001599822473 988537933 /nfs/dbraw/zinc/53/79/33/988537933.db2.gz SJKVAZOJFSFBHJ-UHFFFAOYSA-N -1 0 336.329 2.001 20 5 EEBDRM CN(C(=O)CSc1ccccc1[N+](=O)[O-])C(C)(C)CC(=O)[O-] ZINC001598033468 990255925 /nfs/dbraw/zinc/25/59/25/990255925.db2.gz VAGZYTZWIFCMLA-UHFFFAOYSA-N -1 0 326.374 2.399 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001598088251 990424490 /nfs/dbraw/zinc/42/44/90/990424490.db2.gz IIPUZCGMWAFWGT-UHFFFAOYSA-N -1 0 348.286 2.474 20 5 EEBDRM CN(CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC001598400482 991693317 /nfs/dbraw/zinc/69/33/17/991693317.db2.gz ZVXBUBMDKTZRNS-UHFFFAOYSA-N -1 0 349.368 2.425 20 5 EEBDRM CN(CCCNC(=O)C1CCC1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598478921 992118265 /nfs/dbraw/zinc/11/82/65/992118265.db2.gz CSTLMEXLBVWMJQ-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001598512284 992577639 /nfs/dbraw/zinc/57/76/39/992577639.db2.gz XVAWHHHTDAIONU-UHFFFAOYSA-N -1 0 347.302 2.287 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NCCC(C)(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169685 994021748 /nfs/dbraw/zinc/02/17/48/994021748.db2.gz BSAKQNZJXFGXQC-QMMMGPOBSA-N -1 0 345.302 2.255 20 5 EEBDRM C[C@@H]1CC(C)(C)CN1c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001594215920 998830849 /nfs/dbraw/zinc/83/08/49/998830849.db2.gz BNRIIKDGIDEOHV-SNVBAGLBSA-N -1 0 335.360 2.034 20 5 EEBDRM CCc1nn(C)c(CC)c1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000153119555 529766368 /nfs/dbraw/zinc/76/63/68/529766368.db2.gz QIKKGCGKHCXQMK-UHFFFAOYSA-N -1 0 332.360 2.089 20 5 EEBDRM Cc1oc(Cn2cc(Br)c([N+](=O)[O-])n2)cc1C(=O)[O-] ZINC000040517139 213331271 /nfs/dbraw/zinc/33/12/71/213331271.db2.gz JVKCZPZDHRGHJW-UHFFFAOYSA-N -1 0 330.094 2.202 20 5 EEBDRM O=C([O-])CN(Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000037598019 213160032 /nfs/dbraw/zinc/16/00/32/213160032.db2.gz XAQHNOSIUPTONQ-UHFFFAOYSA-N -1 0 329.150 2.406 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000236737656 242341657 /nfs/dbraw/zinc/34/16/57/242341657.db2.gz DENFQJQJYNXNIG-UHFFFAOYSA-N -1 0 333.344 2.330 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236770078 242352719 /nfs/dbraw/zinc/35/27/19/242352719.db2.gz FKACWRGNKIEHKI-UHFFFAOYSA-N -1 0 346.343 2.106 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000236637638 242302172 /nfs/dbraw/zinc/30/21/72/242302172.db2.gz LOTJHQQMRZDVDY-AWEZNQCLSA-N -1 0 346.343 2.010 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000236675042 242315800 /nfs/dbraw/zinc/31/58/00/242315800.db2.gz SVAOVKYFELRAFC-SNVBAGLBSA-N -1 0 345.149 2.196 20 5 EEBDRM CCC(CC)(CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000236839432 242377899 /nfs/dbraw/zinc/37/78/99/242377899.db2.gz MSQWFEMPSHUCMW-UHFFFAOYSA-N -1 0 337.376 2.038 20 5 EEBDRM C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[C@@H]1C(=O)[O-] ZINC000262883819 245231836 /nfs/dbraw/zinc/23/18/36/245231836.db2.gz HAMFCWZONQRNBY-ONGXEEELSA-N -1 0 331.328 2.259 20 5 EEBDRM O=C([O-])[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000040713297 304184331 /nfs/dbraw/zinc/18/43/31/304184331.db2.gz MTXVLVKJQKJEST-ZETCQYMHSA-N -1 0 330.138 2.053 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000492159887 246330464 /nfs/dbraw/zinc/33/04/64/246330464.db2.gz ZMNWLWZXDPCHKR-LSYFEZSPSA-N -1 0 348.330 2.460 20 5 EEBDRM O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000269145178 255535688 /nfs/dbraw/zinc/53/56/88/255535688.db2.gz NUDZJYOTXBPNTH-ZUZCIYMTSA-N -1 0 338.385 2.085 20 5 EEBDRM Cc1nncn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000182165498 255929711 /nfs/dbraw/zinc/92/97/11/255929711.db2.gz SSNJUVZLHNFDCV-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCc2n[nH]cc2C1 ZINC000273438172 256296735 /nfs/dbraw/zinc/29/67/35/256296735.db2.gz GSGDSVCWYDKLHX-SSDOTTSWSA-N -1 0 336.735 2.421 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1ncon1 ZINC000276182013 256409209 /nfs/dbraw/zinc/40/92/09/256409209.db2.gz GZXHBNRZEATJNQ-CYBMUJFWSA-N -1 0 332.316 2.441 20 5 EEBDRM Cc1ccc(CN(CCO)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000119807505 292248648 /nfs/dbraw/zinc/24/86/48/292248648.db2.gz QVLRKURZMRMSJE-UHFFFAOYSA-N -1 0 330.340 2.244 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000116453997 152051981 /nfs/dbraw/zinc/05/19/81/152051981.db2.gz OZOCAPVQXJNFEW-DGCLKSJQSA-N -1 0 349.387 2.114 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccccc2[C@H]1CO ZINC000357650897 153264489 /nfs/dbraw/zinc/26/44/89/153264489.db2.gz UYIAPMIFSNFEAE-MRXNPFEDSA-N -1 0 328.324 2.032 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1[N+](=O)[O-] ZINC000128268929 292339616 /nfs/dbraw/zinc/33/96/16/292339616.db2.gz AYXKAPLVZUQCCC-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM O=C([O-])c1cccc(CCNC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000327355621 160544782 /nfs/dbraw/zinc/54/47/82/160544782.db2.gz VRWGZSXGBNOGCC-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccnc1N(C)C ZINC000105565674 159302158 /nfs/dbraw/zinc/30/21/58/159302158.db2.gz UJQHXNCSONAOOC-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)no1 ZINC000185621487 160042561 /nfs/dbraw/zinc/04/25/61/160042561.db2.gz OQUHSUINJUCRKX-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nccs2)c2ncccc12 ZINC000185608054 160043327 /nfs/dbraw/zinc/04/33/27/160043327.db2.gz GHHVPHRBBGVSNM-UHFFFAOYSA-N -1 0 336.354 2.400 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000186071075 160057254 /nfs/dbraw/zinc/05/72/54/160057254.db2.gz RSJJDXZQMOIMJA-UHFFFAOYSA-N -1 0 348.702 2.376 20 5 EEBDRM CCn1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000194432040 160193982 /nfs/dbraw/zinc/19/39/82/160193982.db2.gz BNEDLNNXJOAERH-UHFFFAOYSA-N -1 0 330.753 2.265 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000238129443 160228210 /nfs/dbraw/zinc/22/82/10/160228210.db2.gz KEFXUZGZCJXZMY-UHFFFAOYSA-N -1 0 340.295 2.099 20 5 EEBDRM Cc1noc([C@@H]2CCCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000343962949 161184892 /nfs/dbraw/zinc/18/48/92/161184892.db2.gz PIHMDNVQMQRILR-ZDUSSCGKSA-N -1 0 332.316 2.359 20 5 EEBDRM COc1ccc([C@H](CCO)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000345304120 161290133 /nfs/dbraw/zinc/29/01/33/161290133.db2.gz OSHOJMUHCWKHTD-AWEZNQCLSA-N -1 0 346.339 2.163 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)Nc1ccccc1 ZINC000151259731 292471170 /nfs/dbraw/zinc/47/11/70/292471170.db2.gz UGADVOCXESKGGX-SNVBAGLBSA-N -1 0 329.312 2.057 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272639670 269001960 /nfs/dbraw/zinc/00/19/60/269001960.db2.gz DHCMTXPBBYGXTO-ABAIWWIYSA-N -1 0 338.385 2.085 20 5 EEBDRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000275372900 269112284 /nfs/dbraw/zinc/11/22/84/269112284.db2.gz WNRDSDFBAGBBCG-JTQLQIEISA-N -1 0 344.389 2.085 20 5 EEBDRM CC[C@H](C)c1nnc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[nH]1 ZINC000277820594 269187140 /nfs/dbraw/zinc/18/71/40/269187140.db2.gz LOXRHFJVDXHBCP-IUCAKERBSA-N -1 0 333.348 2.423 20 5 EEBDRM CCOC(=O)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000274574545 274207557 /nfs/dbraw/zinc/20/75/57/274207557.db2.gz ACZOQXPLPSTEMT-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM CC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)OC ZINC000289520120 275123867 /nfs/dbraw/zinc/12/38/67/275123867.db2.gz MGTHXXCNBRVBNR-MRVPVSSYSA-N -1 0 340.760 2.091 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000291532883 275314821 /nfs/dbraw/zinc/31/48/21/275314821.db2.gz KVBGORSDBWOTNH-LLVKDONJSA-N -1 0 336.735 2.238 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000292583899 275450991 /nfs/dbraw/zinc/45/09/91/275450991.db2.gz PMEXZNLYAZZJBV-HUUCEWRRSA-N -1 0 332.356 2.474 20 5 EEBDRM C[S@](=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000184820541 300886294 /nfs/dbraw/zinc/88/62/94/300886294.db2.gz CZLKEORWZHANFW-SHACYNPGSA-N -1 0 348.380 2.150 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCCCCC1 ZINC000355477083 301012795 /nfs/dbraw/zinc/01/27/95/301012795.db2.gz XVZUHKHUCOVJKI-UHFFFAOYSA-N -1 0 342.373 2.166 20 5 EEBDRM Cn1ccnc1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000376096270 303005977 /nfs/dbraw/zinc/00/59/77/303005977.db2.gz KUVHFSAKSUJBRX-NSHDSACASA-N -1 0 330.344 2.054 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccsc1 ZINC000436828125 315003484 /nfs/dbraw/zinc/00/34/84/315003484.db2.gz WYGFSWLIXCYBLJ-LLVKDONJSA-N -1 0 336.325 2.006 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000515642969 316509881 /nfs/dbraw/zinc/50/98/81/316509881.db2.gz DEKNWBCPHWZPSG-COPLHBTASA-N -1 0 335.360 2.408 20 5 EEBDRM CO[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000516295625 316551392 /nfs/dbraw/zinc/55/13/92/316551392.db2.gz WBMWOUJWBFZFEI-PELKAZGASA-N -1 0 328.752 2.451 20 5 EEBDRM COC(=O)COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000538870447 318047620 /nfs/dbraw/zinc/04/76/20/318047620.db2.gz GSGSVZUZRITDLH-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000542654301 318135146 /nfs/dbraw/zinc/13/51/46/318135146.db2.gz CXISBVXQXCSFGS-GFCCVEGCSA-N -1 0 348.277 2.076 20 5 EEBDRM COc1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1OC ZINC000543719406 318168513 /nfs/dbraw/zinc/16/85/13/318168513.db2.gz SERRXFURVHFOBZ-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-])c1C ZINC000548225867 318366407 /nfs/dbraw/zinc/36/64/07/318366407.db2.gz ZFPNNDSEIRDSAG-NSHDSACASA-N -1 0 344.389 2.084 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H](OCC3CC3)C2)n1 ZINC000566290718 319269912 /nfs/dbraw/zinc/26/99/12/319269912.db2.gz CCLOLGRENIGVDS-LBPRGKRZSA-N -1 0 335.360 2.392 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3ccccc3)C2)n1 ZINC000566295767 319271063 /nfs/dbraw/zinc/27/10/63/319271063.db2.gz XDEJXKCKNLZCJL-CQSZACIVSA-N -1 0 329.312 2.266 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCCc3nn(C)cc32)n1 ZINC000567616626 319397621 /nfs/dbraw/zinc/39/76/21/319397621.db2.gz GQAUJHVGDKGLPK-NSHDSACASA-N -1 0 331.332 2.219 20 5 EEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2C[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000577175290 320238427 /nfs/dbraw/zinc/23/84/27/320238427.db2.gz OARCUJNZYSJJHM-DTWKUNHWSA-N -1 0 342.373 2.020 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000577278132 320246640 /nfs/dbraw/zinc/24/66/40/320246640.db2.gz SJNQFMMLMPXRJZ-UHFFFAOYSA-N -1 0 344.389 2.215 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000392854035 323549958 /nfs/dbraw/zinc/54/99/58/323549958.db2.gz RNSWCZKCOJSWQX-MRXNPFEDSA-N -1 0 331.328 2.071 20 5 EEBDRM CO[C@@H](C)c1nc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cs1 ZINC000581610586 324289656 /nfs/dbraw/zinc/28/96/56/324289656.db2.gz VEQDSTPVVUCEDJ-ZETCQYMHSA-N -1 0 338.345 2.464 20 5 EEBDRM C[S@@](=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000184820482 465028258 /nfs/dbraw/zinc/02/82/58/465028258.db2.gz CZLKEORWZHANFW-LFPIHBKWSA-N -1 0 348.380 2.150 20 5 EEBDRM CCn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000358532493 465178001 /nfs/dbraw/zinc/17/80/01/465178001.db2.gz RXNHHBNCWLZACL-UHFFFAOYSA-N -1 0 330.753 2.265 20 5 EEBDRM Cn1cc(-c2ncccc2NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000590550609 468270350 /nfs/dbraw/zinc/27/03/50/468270350.db2.gz GJSLWXWZMNAUAC-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccsc1 ZINC000347868742 465275198 /nfs/dbraw/zinc/27/51/98/465275198.db2.gz GPEKUBGXMIVVIL-LBPRGKRZSA-N -1 0 336.325 2.006 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccnc(-n2cccn2)c1 ZINC000356326540 465314405 /nfs/dbraw/zinc/31/44/05/465314405.db2.gz ZCRWNCRKKQAUKF-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@@H](Cc3ccccc3)C2)n1 ZINC000579235674 468330121 /nfs/dbraw/zinc/33/01/21/468330121.db2.gz ANEYAZPOYSTYJV-ZDUSSCGKSA-N -1 0 343.339 2.136 20 5 EEBDRM CC[C@H](C)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000521869848 468336688 /nfs/dbraw/zinc/33/66/88/468336688.db2.gz UOQFQDJCQSURFJ-IUCAKERBSA-N -1 0 330.362 2.006 20 5 EEBDRM O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])Nc1ccc(Cl)cc1 ZINC000157640533 463151827 /nfs/dbraw/zinc/15/18/27/463151827.db2.gz KSURHXLCTFBQSE-UHFFFAOYSA-N -1 0 349.730 2.322 20 5 EEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000069523075 463267929 /nfs/dbraw/zinc/26/79/29/463267929.db2.gz CEGJGEZOALSAKO-UHFFFAOYSA-N -1 0 348.380 2.378 20 5 EEBDRM COCCCN(Cc1ccncc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000136968021 463268523 /nfs/dbraw/zinc/26/85/23/463268523.db2.gz FPNQLEJKDFDAQR-UHFFFAOYSA-N -1 0 345.355 2.374 20 5 EEBDRM Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])n[nH]2)o1 ZINC000164966618 463637325 /nfs/dbraw/zinc/63/73/25/463637325.db2.gz IIIFWTLDAYPKQK-UHFFFAOYSA-N -1 0 329.272 2.239 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3ccc(F)cc32)ccc1[O-] ZINC000170600127 463681379 /nfs/dbraw/zinc/68/13/79/463681379.db2.gz YEEXTQNJSYUHAL-UHFFFAOYSA-N -1 0 338.316 2.191 20 5 EEBDRM COc1ccc2c(c1)[nH]nc2NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194795054 463929511 /nfs/dbraw/zinc/92/95/11/463929511.db2.gz GKQDLGXMFLMIBP-UHFFFAOYSA-N -1 0 328.284 2.438 20 5 EEBDRM CC(C)CCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000194878159 463948910 /nfs/dbraw/zinc/94/89/10/463948910.db2.gz ZJHQGCFXUXVCSY-UHFFFAOYSA-N -1 0 340.361 2.367 20 5 EEBDRM CCC[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000262283634 463991491 /nfs/dbraw/zinc/99/14/91/463991491.db2.gz VAADZIHJESDFRM-NSHDSACASA-N -1 0 346.343 2.011 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263208956 464063233 /nfs/dbraw/zinc/06/32/33/464063233.db2.gz ILPIWKHEHBUONB-MEDUHNTESA-N -1 0 335.360 2.470 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000263427266 464103310 /nfs/dbraw/zinc/10/33/10/464103310.db2.gz MJQWHIUKEDSIHR-NSHDSACASA-N -1 0 344.726 2.396 20 5 EEBDRM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179529444 464151844 /nfs/dbraw/zinc/15/18/44/464151844.db2.gz KLOQNFDKLPIZBT-UHFFFAOYSA-N -1 0 344.302 2.288 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000271084240 464279442 /nfs/dbraw/zinc/27/94/42/464279442.db2.gz SAPXYIZXFHQAPD-NSHDSACASA-N -1 0 344.389 2.085 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nc(C)n1 ZINC000180763845 464388663 /nfs/dbraw/zinc/38/86/63/464388663.db2.gz FCUCITSHKSWGTO-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2ccccc2[nH]c1=O ZINC000180768579 464390077 /nfs/dbraw/zinc/39/00/77/464390077.db2.gz KMLOMXZQGANGOZ-UHFFFAOYSA-N -1 0 325.280 2.394 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000238043169 464423110 /nfs/dbraw/zinc/42/31/10/464423110.db2.gz IOCGZQNVUDTRPA-CQSZACIVSA-N -1 0 331.328 2.084 20 5 EEBDRM CC1(C)C[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC000272177422 464507113 /nfs/dbraw/zinc/50/71/13/464507113.db2.gz RSYWBLABEGXWEE-NSHDSACASA-N -1 0 346.380 2.358 20 5 EEBDRM CN([C@@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281752222 464571993 /nfs/dbraw/zinc/57/19/93/464571993.db2.gz FRAGMDCIOPMAAH-LBPRGKRZSA-N -1 0 344.389 2.105 20 5 EEBDRM CCC(=O)c1ccc(N2CCC[C@H](c3n[n-]c(=O)o3)C2)c([N+](=O)[O-])c1 ZINC000285714573 464668877 /nfs/dbraw/zinc/66/88/77/464668877.db2.gz RVDHTIDDDHWACI-NSHDSACASA-N -1 0 346.343 2.248 20 5 EEBDRM O=C(NOC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000276491874 464952847 /nfs/dbraw/zinc/95/28/47/464952847.db2.gz SNQBDMDCSGXMCZ-MRVPVSSYSA-N -1 0 334.250 2.312 20 5 EEBDRM CC(=O)Nc1ccc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356517873 465431076 /nfs/dbraw/zinc/43/10/76/465431076.db2.gz VGIGVHVWPSIFIF-UHFFFAOYSA-N -1 0 343.339 2.231 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cccc1[N+](=O)[O-] ZINC000371587138 465890492 /nfs/dbraw/zinc/89/04/92/465890492.db2.gz AILLBZYRMKXAIC-UHFFFAOYSA-N -1 0 336.373 2.237 20 5 EEBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)nn1-c1ccccc1 ZINC000357971969 466357806 /nfs/dbraw/zinc/35/78/06/466357806.db2.gz HJGRJZCUTZOALZ-UHFFFAOYSA-N -1 0 338.323 3.047 20 5 EEBDRM Cc1ccc2nc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cn2c1 ZINC000358187882 466525175 /nfs/dbraw/zinc/52/51/75/466525175.db2.gz FGJTYPFIAPLIMA-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000323482841 466638635 /nfs/dbraw/zinc/63/86/35/466638635.db2.gz AUOGAFVSSAMANZ-UHFFFAOYSA-N -1 0 325.296 2.499 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnc2c(c1)COCC2 ZINC000373188954 466722333 /nfs/dbraw/zinc/72/23/33/466722333.db2.gz DEJQEQQNHBVYAE-UHFFFAOYSA-N -1 0 349.368 2.172 20 5 EEBDRM Cn1nccc1[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000374783960 466742829 /nfs/dbraw/zinc/74/28/29/466742829.db2.gz XDXUHVPISUGOGC-GFCCVEGCSA-N -1 0 330.344 2.054 20 5 EEBDRM Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000365461329 466825540 /nfs/dbraw/zinc/82/55/40/466825540.db2.gz OGHNOIXJZOCPTD-LBPRGKRZSA-N -1 0 330.344 2.054 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000428004711 467192839 /nfs/dbraw/zinc/19/28/39/467192839.db2.gz HTSJVRCNNMWJSR-QMMMGPOBSA-N -1 0 334.332 2.472 20 5 EEBDRM O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436666529 467550015 /nfs/dbraw/zinc/55/00/15/467550015.db2.gz UHOPJGJXZKZNKT-UHFFFAOYSA-N -1 0 342.311 2.296 20 5 EEBDRM CC(=O)NCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436786773 467554623 /nfs/dbraw/zinc/55/46/23/467554623.db2.gz ZIOJDAZDDPZJEY-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000532678627 468130966 /nfs/dbraw/zinc/13/09/66/468130966.db2.gz OGIUKRYSZGOCCR-GFCCVEGCSA-N -1 0 336.344 2.077 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000578708274 468240808 /nfs/dbraw/zinc/24/08/08/468240808.db2.gz QEUBSDIAFJZOIF-GFCCVEGCSA-N -1 0 335.341 2.281 20 5 EEBDRM CCCOc1ncccc1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569728627 468535761 /nfs/dbraw/zinc/53/57/61/468535761.db2.gz SPZFXRRKUZDKKT-UHFFFAOYSA-N -1 0 346.343 2.792 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cnn(CCF)c2)c(C)c1[N+](=O)[O-] ZINC000600661534 468612922 /nfs/dbraw/zinc/61/29/22/468612922.db2.gz VSKFWVFDAZSGFV-UHFFFAOYSA-N -1 0 342.352 2.178 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nccc(C2CC2)n1 ZINC000600668497 468615727 /nfs/dbraw/zinc/61/57/27/468615727.db2.gz XMYRCZIASXEERZ-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM C[C@H](O)C[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000583145958 468651117 /nfs/dbraw/zinc/65/11/17/468651117.db2.gz DVAQVUBXCCADAH-WCBMZHEXSA-N -1 0 328.752 2.329 20 5 EEBDRM CSCCCC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879806 468674738 /nfs/dbraw/zinc/67/47/38/468674738.db2.gz WNNQWHBFYJLDQN-CQSZACIVSA-N -1 0 326.374 2.154 20 5 EEBDRM CC(C)(CO)[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccnc1 ZINC000597845850 468690635 /nfs/dbraw/zinc/69/06/35/468690635.db2.gz MSDCNPKNZKVCOL-OAHLLOKOSA-N -1 0 345.355 2.185 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@H](C3CCCCC3)C2)n1 ZINC000592977185 468832514 /nfs/dbraw/zinc/83/25/14/468832514.db2.gz NWDUEPRGPDHRJD-AWEZNQCLSA-N -1 0 335.360 2.474 20 5 EEBDRM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598485580 468884176 /nfs/dbraw/zinc/88/41/76/468884176.db2.gz REMJQCHPHFVHAE-CJNGLKHVSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000573123533 469067679 /nfs/dbraw/zinc/06/76/79/469067679.db2.gz IPQPGXQOFLMVLM-NSHDSACASA-N -1 0 333.369 2.397 20 5 EEBDRM CC(C)C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)CC(=O)[O-] ZINC000593697312 469100126 /nfs/dbraw/zinc/10/01/26/469100126.db2.gz KNIOPVVSDWEQHU-JTQLQIEISA-N -1 0 348.359 2.338 20 5 EEBDRM CCOC(=O)CCN(CC1CC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000610882775 469102182 /nfs/dbraw/zinc/10/21/82/469102182.db2.gz XKDVNECKGAJDCB-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM CN1C(=O)CCc2cc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC000610891552 469106377 /nfs/dbraw/zinc/10/63/77/469106377.db2.gz INTOSHZPTKWXKM-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM CCCN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000563185311 469191187 /nfs/dbraw/zinc/19/11/87/469191187.db2.gz XLGBAYAXJZYFET-UHFFFAOYSA-N -1 0 327.768 2.122 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000160195680 533965270 /nfs/dbraw/zinc/96/52/70/533965270.db2.gz ZBHWARJCYHZYMM-VIFPVBQESA-N -1 0 340.332 2.479 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000262563971 535660656 /nfs/dbraw/zinc/66/06/56/535660656.db2.gz ZLIVHUDVYUGOEG-MEBBXXQBSA-N -1 0 333.344 2.165 20 5 EEBDRM COCc1nc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cs1 ZINC000737836917 577012251 /nfs/dbraw/zinc/01/22/51/577012251.db2.gz ZDAGELKZDDNJRY-UHFFFAOYSA-N -1 0 337.313 2.148 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000732908125 577197008 /nfs/dbraw/zinc/19/70/08/577197008.db2.gz XRURAKLKPYQMFX-SNVBAGLBSA-N -1 0 344.389 2.099 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000732909228 577197036 /nfs/dbraw/zinc/19/70/36/577197036.db2.gz XFZVCADRDQQUNQ-JTQLQIEISA-N -1 0 344.389 2.099 20 5 EEBDRM CCC(CC)S(=O)(=O)[N-]C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000733711921 577255040 /nfs/dbraw/zinc/25/50/40/577255040.db2.gz SRXXNTWZZIKYFA-UHFFFAOYSA-N -1 0 346.430 2.322 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000776533634 577461568 /nfs/dbraw/zinc/46/15/68/577461568.db2.gz OCCNEODNZCFFLL-YPMHNXCESA-N -1 0 340.401 2.020 20 5 EEBDRM O=C(NC[C@H](O)c1c(F)cccc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769503958 577579315 /nfs/dbraw/zinc/57/93/15/577579315.db2.gz PXHUBELDSSOILD-ZDUSSCGKSA-N -1 0 338.266 2.042 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C2/CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000753809395 577794165 /nfs/dbraw/zinc/79/41/65/577794165.db2.gz JVMJSOQRHODANK-WJEYQPDNSA-N -1 0 338.385 2.455 20 5 EEBDRM CS[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000757388240 577859470 /nfs/dbraw/zinc/85/94/70/577859470.db2.gz VNIHKERGYLJDLA-SECBINFHSA-N -1 0 346.430 2.158 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 ZINC000739345621 578049272 /nfs/dbraw/zinc/04/92/72/578049272.db2.gz JLCGYUGCMYLSAE-UHFFFAOYSA-N -1 0 344.279 2.203 20 5 EEBDRM O=C([O-])[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000739616138 578061111 /nfs/dbraw/zinc/06/11/11/578061111.db2.gz YYLLRVKLAPAWKT-MRXNPFEDSA-N -1 0 328.324 2.490 20 5 EEBDRM O=C([O-])CSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000739871213 578070885 /nfs/dbraw/zinc/07/08/85/578070885.db2.gz NGZNTFSSHAOKQN-UHFFFAOYSA-N -1 0 335.341 2.493 20 5 EEBDRM O=C([O-])c1coc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000740271801 578088476 /nfs/dbraw/zinc/08/84/76/578088476.db2.gz RVCVTYWWYVUJPM-UHFFFAOYSA-N -1 0 349.251 2.014 20 5 EEBDRM CC(C)N1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000736474573 578206516 /nfs/dbraw/zinc/20/65/16/578206516.db2.gz MZJSIAGDHGBWMX-AGLBCWCQSA-N -1 0 333.344 2.114 20 5 EEBDRM C[C@@H](C1CC1)N(C(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1CC1 ZINC000736540016 578210234 /nfs/dbraw/zinc/21/02/34/578210234.db2.gz BWNKYWLWEGRZMB-JTQLQIEISA-N -1 0 348.355 2.461 20 5 EEBDRM CC1(C)COCCN1CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736736320 578221304 /nfs/dbraw/zinc/22/13/04/578221304.db2.gz BVJDEDXHYDGWDB-XQRVVYSFSA-N -1 0 349.387 2.215 20 5 EEBDRM CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737323481 578250432 /nfs/dbraw/zinc/25/04/32/578250432.db2.gz SHOYTRDUSXDWAL-MRXNPFEDSA-N -1 0 344.323 2.258 20 5 EEBDRM CC(C)C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000817865824 597106656 /nfs/dbraw/zinc/10/66/56/597106656.db2.gz MIFZSPCYUHTCRY-JTQLQIEISA-N -1 0 326.374 2.302 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000262104074 597162570 /nfs/dbraw/zinc/16/25/70/597162570.db2.gz JHSFZPCQQGHFHA-WPRPVWTQSA-N -1 0 342.735 2.091 20 5 EEBDRM Cc1c(Br)cc(C(=O)O[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000820934013 597506318 /nfs/dbraw/zinc/50/63/18/597506318.db2.gz AGKVSYHXRVLCKE-LURJTMIESA-N -1 0 332.106 2.296 20 5 EEBDRM CO[C@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000831520554 600803702 /nfs/dbraw/zinc/80/37/02/600803702.db2.gz YEXUOPOASIMOFF-LLVKDONJSA-N -1 0 327.293 2.284 20 5 EEBDRM NC(=NOCc1c(F)cccc1[N+](=O)[O-])c1cccc(C(=O)[O-])c1 ZINC000833077785 600806827 /nfs/dbraw/zinc/80/68/27/600806827.db2.gz BABDTPGTVQCXMQ-UHFFFAOYSA-N -1 0 333.275 2.479 20 5 EEBDRM O=C([O-])CCSCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000833239303 601404569 /nfs/dbraw/zinc/40/45/69/601404569.db2.gz FZTIWGMNTLFHFN-UHFFFAOYSA-N -1 0 332.765 2.186 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000833235054 601514358 /nfs/dbraw/zinc/51/43/58/601514358.db2.gz WVISASNIFJNCRK-UHFFFAOYSA-N -1 0 329.312 2.107 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000827908732 601713030 /nfs/dbraw/zinc/71/30/30/601713030.db2.gz MZAIDANZJUBDKM-NRUUGDAUSA-N -1 0 338.385 2.255 20 5 EEBDRM C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000828377580 601772210 /nfs/dbraw/zinc/77/22/10/601772210.db2.gz KNHMLTMPUQAIJC-APPZFPTMSA-N -1 0 327.724 2.433 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCSCCCO)cc1Cl ZINC000833306527 604264490 /nfs/dbraw/zinc/26/44/90/604264490.db2.gz ANGCWSSPNLZLGA-UHFFFAOYSA-N -1 0 334.781 2.474 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1(C(=O)[O-])CCCC1 ZINC000832905167 604467850 /nfs/dbraw/zinc/46/78/50/604467850.db2.gz FYZVVYSTVJFARE-UHFFFAOYSA-N -1 0 335.360 2.171 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000833209734 604530161 /nfs/dbraw/zinc/53/01/61/604530161.db2.gz MDHNGYYVHWLITQ-SNVBAGLBSA-N -1 0 341.751 2.397 20 5 EEBDRM CC(C)OC[C@H](O)COc1c(C(=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC000833503996 604536633 /nfs/dbraw/zinc/53/66/33/604536633.db2.gz XBBFXJFKGPOXER-VIFPVBQESA-N -1 0 333.724 2.111 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N2CCC(CCC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000827097686 604932083 /nfs/dbraw/zinc/93/20/83/604932083.db2.gz YSYYSEJIVOJHDD-UHFFFAOYSA-N -1 0 338.364 2.158 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCC2CC2)ccc1[N+](=O)[O-] ZINC000813070392 1201080787 /nfs/dbraw/zinc/08/07/87/1201080787.db2.gz RGVNOBKHSJALQF-UHFFFAOYSA-N -1 0 326.374 2.288 20 5 EEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000866284080 1201483534 /nfs/dbraw/zinc/48/35/34/1201483534.db2.gz JJIOTPZAZYTXPZ-GFCCVEGCSA-N -1 0 335.257 2.381 20 5 EEBDRM Cc1cc(C)nc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000802048952 1236765287 /nfs/dbraw/zinc/76/52/87/1236765287.db2.gz OXZRHNGHXGBIBD-UHFFFAOYSA-N -1 0 349.368 2.034 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000802867896 1238483511 /nfs/dbraw/zinc/48/35/11/1238483511.db2.gz SSHUZZYMVGNQSZ-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC001226650030 1301494089 /nfs/dbraw/zinc/49/40/89/1301494089.db2.gz NQIHTIMGXBGFSK-VIFPVBQESA-N -1 0 333.300 2.325 20 5 EEBDRM Cc1nc(OC2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229377567 1302754458 /nfs/dbraw/zinc/75/44/58/1302754458.db2.gz CNPHVKROJWMTDN-UHFFFAOYSA-N -1 0 330.344 2.447 20 5 EEBDRM COc1ccccc1OC[C@@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229382315 1302755810 /nfs/dbraw/zinc/75/58/10/1302755810.db2.gz RKFYIGJNUHODHA-SECBINFHSA-N -1 0 335.316 2.254 20 5 EEBDRM O=C([O-])C[C@@H](O)C(=O)Oc1c2c(O)cccc2cc2cccc(O)c21 ZINC001230761462 1303436303 /nfs/dbraw/zinc/43/63/03/1303436303.db2.gz SMHXCTCYPPOWGT-CYBMUJFWSA-N -1 0 342.303 2.145 20 5 EEBDRM COc1ccc2nc(=O)[n-]c(O[C@H](C[N+](=O)[O-])c3cccnc3)c2c1 ZINC001230862329 1303509310 /nfs/dbraw/zinc/50/93/10/1303509310.db2.gz NJUAXRJISXURKK-CQSZACIVSA-N -1 0 342.311 2.136 20 5 EEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC2(CCC2)C1 ZINC000842676027 1315752406 /nfs/dbraw/zinc/75/24/06/1315752406.db2.gz HCHMDALPUJMKKC-UHFFFAOYSA-N -1 0 338.385 2.121 20 5 EEBDRM Cn1c2ccc(S(C)(=O)=O)cc2nc1-c1cccc([N+](=O)[O-])c1[O-] ZINC001251271719 1317442569 /nfs/dbraw/zinc/44/25/69/1317442569.db2.gz LGGWJEWHDIHLHA-UHFFFAOYSA-N -1 0 347.352 2.258 20 5 EEBDRM O=C([N-]CCNc1nccc2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC001156204341 1317920585 /nfs/dbraw/zinc/92/05/85/1317920585.db2.gz COMYLWDTCVUXLX-UHFFFAOYSA-N -1 0 328.250 2.233 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC001608475689 1351702015 /nfs/dbraw/zinc/70/20/15/1351702015.db2.gz NNXGZNASTQVSLX-UHFFFAOYSA-N -1 0 343.654 2.004 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC001608492503 1351703902 /nfs/dbraw/zinc/70/39/02/1351703902.db2.gz ITPBGJACACYDJO-PRFIWBCESA-N -1 0 343.339 2.305 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001608493846 1351704034 /nfs/dbraw/zinc/70/40/34/1351704034.db2.gz OGNHVJIDUFQZPB-VNOQCFOKSA-N -1 0 338.747 2.477 20 5 EEBDRM O=C([O-])[C@H]1CC[C@H](C(=O)OCCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001602215669 1350468288 /nfs/dbraw/zinc/46/82/88/1350468288.db2.gz OHGCDRBBYLFGML-HAQNSBGRSA-N -1 0 337.328 2.408 20 5 EEBDRM O=C([O-])c1csc(Cn2cc([N+](=O)[O-])nc2Br)c1 ZINC001602562205 1350547101 /nfs/dbraw/zinc/54/71/01/1350547101.db2.gz KRETZGHFPUQCKR-UHFFFAOYSA-N -1 0 332.135 2.362 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1[O-] ZINC001309675336 1331638531 /nfs/dbraw/zinc/63/85/31/1331638531.db2.gz NWOXFOGGIFYTTD-QNSHHTMESA-N -1 0 348.327 2.013 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC001608667781 1351737981 /nfs/dbraw/zinc/73/79/81/1351737981.db2.gz UFHYGAKGOFPMIW-SNVBAGLBSA-N -1 0 326.736 2.479 20 5 EEBDRM O=C([O-])CC1(COC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC001608680545 1351740513 /nfs/dbraw/zinc/74/05/13/1351740513.db2.gz HLPRCSODPDTNIV-UHFFFAOYSA-N -1 0 325.342 2.485 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N[C@@H]2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001608755443 1351755751 /nfs/dbraw/zinc/75/57/51/1351755751.db2.gz SZIYHALIJQZVEE-WDEREUQCSA-N -1 0 339.323 2.102 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N[C@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC001608755471 1351755768 /nfs/dbraw/zinc/75/57/68/1351755768.db2.gz VQWCUJDIHYYGBM-MGULZYLOSA-N -1 0 347.371 2.400 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H](C2CC2)[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC001608836865 1351775152 /nfs/dbraw/zinc/77/51/52/1351775152.db2.gz WKPIKJFORCXYQH-XHDPSFHLSA-N -1 0 348.355 2.228 20 5 EEBDRM O=C([O-])c1ccc(Cn2cc([N+](=O)[O-])nc2Br)s1 ZINC001608893943 1351788443 /nfs/dbraw/zinc/78/84/43/1351788443.db2.gz IMTRMTIWKASUGF-UHFFFAOYSA-N -1 0 332.135 2.362 20 5 EEBDRM O=C([O-])c1cn(CCNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])nn1 ZINC001608964433 1351803769 /nfs/dbraw/zinc/80/37/69/1351803769.db2.gz OVLQXRDSNFMLMF-UHFFFAOYSA-N -1 0 346.130 2.303 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001609026184 1351818528 /nfs/dbraw/zinc/81/85/28/1351818528.db2.gz RJWBHCAKARSWSC-TYNCELHUSA-N -1 0 348.355 2.218 20 5 EEBDRM CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001322288723 1333242179 /nfs/dbraw/zinc/24/21/79/1333242179.db2.gz JYCJIRRTHGFIQS-UHFFFAOYSA-N -1 0 338.341 2.430 20 5 EEBDRM Cn1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001324758822 1333754170 /nfs/dbraw/zinc/75/41/70/1333754170.db2.gz LETYJELWIROTJD-UHFFFAOYSA-N -1 0 348.340 2.389 20 5 EEBDRM C[C@H](C(=O)[O-])N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC001609641552 1352048411 /nfs/dbraw/zinc/04/84/11/1352048411.db2.gz KVQDSQPAYBWHRI-SNVBAGLBSA-N -1 0 346.343 2.472 20 5 EEBDRM C[C@@H](C1CC1)N(C(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC001609725122 1352069446 /nfs/dbraw/zinc/06/94/46/1352069446.db2.gz KCIWPJDQVNXSGB-JTQLQIEISA-N -1 0 348.355 2.461 20 5 EEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccn1 ZINC001609729256 1352070797 /nfs/dbraw/zinc/07/07/97/1352070797.db2.gz PKHGLQGIQZPSDB-AWEZNQCLSA-N -1 0 335.341 2.171 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001609905179 1352116109 /nfs/dbraw/zinc/11/61/09/1352116109.db2.gz OZELVQBDCXZKOS-SECBINFHSA-N -1 0 343.767 2.372 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC001609910331 1352118037 /nfs/dbraw/zinc/11/80/37/1352118037.db2.gz BPBSERXQNMATAY-UHFFFAOYSA-N -1 0 338.360 2.432 20 5 EEBDRM CC[C@@H]1CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001609950397 1352127657 /nfs/dbraw/zinc/12/76/57/1352127657.db2.gz AYQCYQYWEPVPMA-LLVKDONJSA-N -1 0 335.360 2.036 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001610065640 1352153667 /nfs/dbraw/zinc/15/36/67/1352153667.db2.gz YPXIDMVMCZMAGA-UHFFFAOYSA-N -1 0 349.387 2.473 20 5 EEBDRM CC[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847893444 1338366511 /nfs/dbraw/zinc/36/65/11/1338366511.db2.gz AXXHTVWCPDWQFQ-JQWIXIFHSA-N -1 0 341.389 2.011 20 5 EEBDRM CSc1cccc(C(=O)N[C@H](CC(F)F)C(=O)[O-])c1[N+](=O)[O-] ZINC001610386801 1352214462 /nfs/dbraw/zinc/21/44/62/1352214462.db2.gz JKFHVRYFBVGYFI-SSDOTTSWSA-N -1 0 334.300 2.155 20 5 EEBDRM CSc1cccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)c1[N+](=O)[O-] ZINC001610386576 1352214559 /nfs/dbraw/zinc/21/45/59/1352214559.db2.gz FMKHJVUOHFHDJI-CYBMUJFWSA-N -1 0 342.398 2.007 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC001610785531 1352274114 /nfs/dbraw/zinc/27/41/14/1352274114.db2.gz CBQSUOXUDJFNTE-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C([O-])c1cc(C(=O)Oc2ccc3nccnc3c2)cc([N+](=O)[O-])c1 ZINC001610810435 1352278815 /nfs/dbraw/zinc/27/88/15/1352278815.db2.gz KXUPNNCLGKHWOV-UHFFFAOYSA-N -1 0 339.263 2.455 20 5 EEBDRM O=C([O-])c1cnc(NCc2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])c1 ZINC001610863509 1352287111 /nfs/dbraw/zinc/28/71/11/1352287111.db2.gz JQZIMAOSOHCONJ-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM Cc1c(CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)cccc1[N+](=O)[O-] ZINC001600011600 1349954934 /nfs/dbraw/zinc/95/49/34/1349954934.db2.gz IZAHIKNVPKRUCP-UHFFFAOYSA-N -1 0 332.316 2.262 20 5 EEBDRM Cc1c(CC(=O)Nc2ccc(C(=O)[O-])c(O)c2)cccc1[N+](=O)[O-] ZINC001600011100 1349955121 /nfs/dbraw/zinc/95/51/21/1349955121.db2.gz LIFRJTWJWJZVTK-UHFFFAOYSA-N -1 0 330.296 2.488 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1 ZINC001600105048 1349972101 /nfs/dbraw/zinc/97/21/01/1349972101.db2.gz INQXCDYCCRHFFI-VXNVDRBHSA-N -1 0 349.265 2.152 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](c3ccncn3)C2)n1 ZINC001600105107 1349972177 /nfs/dbraw/zinc/97/21/77/1349972177.db2.gz KAMKNLDFXJAMGY-LLVKDONJSA-N -1 0 343.343 2.170 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1F ZINC001600304094 1350015503 /nfs/dbraw/zinc/01/55/03/1350015503.db2.gz PGYSJTXOTQWFBA-KUTMEBCESA-N -1 0 340.282 2.165 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C(=O)[O-])c[nH]1 ZINC001600305440 1350016054 /nfs/dbraw/zinc/01/60/54/1350016054.db2.gz YURDVUVUNPLXOA-UHFFFAOYSA-N -1 0 336.329 2.055 20 5 EEBDRM Cc1csc([C@H]2CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC001600658681 1350110506 /nfs/dbraw/zinc/11/05/06/1350110506.db2.gz LVSWTZMODVAGCN-VIFPVBQESA-N -1 0 334.357 2.447 20 5 EEBDRM Cc1csc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001600664686 1350112997 /nfs/dbraw/zinc/11/29/97/1350112997.db2.gz LPHPGJUEQVNCKE-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1ncc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001600744127 1350126713 /nfs/dbraw/zinc/12/67/13/1350126713.db2.gz WYMBNZIKHGYGGK-UHFFFAOYSA-N -1 0 344.327 2.361 20 5 EEBDRM Cc1nn(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1CCC(=O)[O-] ZINC001600789941 1350137936 /nfs/dbraw/zinc/13/79/36/1350137936.db2.gz XZHXOOIUPYBKPP-UHFFFAOYSA-N -1 0 348.315 2.382 20 5 EEBDRM Nc1ccc([N+](=O)[O-])c(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001601216614 1350233748 /nfs/dbraw/zinc/23/37/48/1350233748.db2.gz JLGPJBONRBVQSE-QGZVFWFLSA-N -1 0 327.340 2.410 20 5 EEBDRM O=C([O-])[C@H](OC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001601330167 1350258705 /nfs/dbraw/zinc/25/87/05/1350258705.db2.gz OSAWIPXFQBBTJR-OAHLLOKOSA-N -1 0 330.296 2.376 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001601345289 1350262641 /nfs/dbraw/zinc/26/26/41/1350262641.db2.gz YFWAAOODHIHWIN-UHFFFAOYSA-N -1 0 348.286 2.127 20 5 EEBDRM O=C([O-])CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001602050921 1350427413 /nfs/dbraw/zinc/42/74/13/1350427413.db2.gz UYGVQHYKDCSVLH-UHFFFAOYSA-N -1 0 332.287 2.394 20 5 EEBDRM O=C([O-])c1cc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)on1 ZINC001602261091 1350480438 /nfs/dbraw/zinc/48/04/38/1350480438.db2.gz MHVVJHQPKRZIHZ-UHFFFAOYSA-N -1 0 332.224 2.384 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(c3ncccc3F)CC2)c1 ZINC001602404051 1350511372 /nfs/dbraw/zinc/51/13/72/1350511372.db2.gz CZBLUASYNCSTIJ-UHFFFAOYSA-N -1 0 346.318 2.154 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)C2SCCS2)c1 ZINC001602404094 1350511393 /nfs/dbraw/zinc/51/13/93/1350511393.db2.gz QGOWDUAJSAHATI-UHFFFAOYSA-N -1 0 329.355 2.142 20 5 EEBDRM O=C([O-])c1ccnc(N2CCOc3cccc(F)c3C2)c1[N+](=O)[O-] ZINC001602479547 1350528676 /nfs/dbraw/zinc/52/86/76/1350528676.db2.gz GMZYERCOWMHWMY-UHFFFAOYSA-N -1 0 333.275 2.226 20 5 EEBDRM O=C([O-])c1nc(N[C@H]2C=CCC2)nc(N[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC001602570951 1350549307 /nfs/dbraw/zinc/54/93/07/1350549307.db2.gz NQDGWVOYIIVYBX-ZJUUUORDSA-N -1 0 331.332 2.344 20 5 EEBDRM CC(=O)N1CCC[C@@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001603020683 1350623023 /nfs/dbraw/zinc/62/30/23/1350623023.db2.gz OQZKDSJEFREXSE-VSKVDJIOSA-N -1 0 347.371 2.363 20 5 EEBDRM CC(=O)[C@@H]1C[C@H](C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1(C)C ZINC001603088763 1350638261 /nfs/dbraw/zinc/63/82/61/1350638261.db2.gz MREQACAKCPVIJL-QWHCGFSZSA-N -1 0 334.328 2.483 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(F)c1 ZINC001604086577 1350851905 /nfs/dbraw/zinc/85/19/05/1350851905.db2.gz UUHBVCULVBXZDU-OAHLLOKOSA-N -1 0 335.291 2.182 20 5 EEBDRM CC[C@]1(C)COCCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001605134639 1351085332 /nfs/dbraw/zinc/08/53/32/1351085332.db2.gz DBEVGDAAJYMLKZ-MRXNPFEDSA-N -1 0 338.360 2.059 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC001605174179 1351095006 /nfs/dbraw/zinc/09/50/06/1351095006.db2.gz PXWRNUSUDBGSOV-OKILXGFUSA-N -1 0 336.344 2.323 20 5 EEBDRM CCOC(=O)C1=CC[C@H](Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001605521409 1351178400 /nfs/dbraw/zinc/17/84/00/1351178400.db2.gz ASCDQOMVAQZEQO-JTQLQIEISA-N -1 0 335.316 2.060 20 5 EEBDRM O=C([O-])[C@H](Cc1ccncc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001605903049 1351250819 /nfs/dbraw/zinc/25/08/19/1351250819.db2.gz BROMVXFLURHUPN-LBPRGKRZSA-N -1 0 332.272 2.006 20 5 EEBDRM COC(=O)c1cc(C)nc(NCc2cc(C(=O)[O-])c(C)o2)c1[N+](=O)[O-] ZINC001606539776 1351319250 /nfs/dbraw/zinc/31/92/50/1351319250.db2.gz BUGIELOUJNNLPT-UHFFFAOYSA-N -1 0 349.299 2.297 20 5 EEBDRM COCCCn1ccc(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])n1 ZINC001606877961 1351369402 /nfs/dbraw/zinc/36/94/02/1351369402.db2.gz IRTRMDAYWYXFLH-UHFFFAOYSA-N -1 0 334.332 2.199 20 5 EEBDRM COCCO[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001606900020 1351372001 /nfs/dbraw/zinc/37/20/01/1351372001.db2.gz APPYUNIIEYJBFQ-SNVBAGLBSA-N -1 0 344.751 2.188 20 5 EEBDRM COc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N)cccc1C(=O)[O-] ZINC001607034765 1351402451 /nfs/dbraw/zinc/40/24/51/1351402451.db2.gz VHERUQXBXVEYJS-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM COc1cc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001607072697 1351406363 /nfs/dbraw/zinc/40/63/63/1351406363.db2.gz YDZKVKLCJHRIDP-SJKOYZFVSA-N -1 0 348.355 2.320 20 5 EEBDRM COc1ccc(OCC(=O)c2cc(C(=O)[O-])[nH]c2C)c([N+](=O)[O-])c1 ZINC001607281805 1351464764 /nfs/dbraw/zinc/46/47/64/1351464764.db2.gz IPZHUMHMHWGCPF-UHFFFAOYSA-N -1 0 334.284 2.200 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CC1)C1(C(=O)[O-])CCC1 ZINC001607826257 1351565825 /nfs/dbraw/zinc/56/58/25/1351565825.db2.gz JLJCOYYPNFQKBK-UHFFFAOYSA-N -1 0 347.371 2.313 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001608082951 1351620977 /nfs/dbraw/zinc/62/09/77/1351620977.db2.gz NGMKILJUWNVZLS-UHFFFAOYSA-N -1 0 343.339 2.436 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccnc(C(=O)[O-])c1 ZINC001608146587 1351634981 /nfs/dbraw/zinc/63/49/81/1351634981.db2.gz YFKCYIOEFQFJQX-UHFFFAOYSA-N -1 0 345.237 2.052 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)CCNc2ccccc2[N+](=O)[O-])o1 ZINC001608310761 1351668219 /nfs/dbraw/zinc/66/82/19/1351668219.db2.gz ARMWANAHGPJMJZ-UHFFFAOYSA-N -1 0 334.284 2.431 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001608363818 1351679623 /nfs/dbraw/zinc/67/96/23/1351679623.db2.gz FTXMKQJYSGLINZ-UHFFFAOYSA-N -1 0 340.675 2.220 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001116512278 1371728292 /nfs/dbraw/zinc/72/82/92/1371728292.db2.gz YNRXRHXPBSIIOM-UHFFFAOYSA-N -1 0 343.295 2.407 20 5 EEBDRM O=C(NC[C@]1(O)CCCc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780491925 758220955 /nfs/dbraw/zinc/22/09/55/758220955.db2.gz MAGXWHSPQLWIGV-GOSISDBHSA-N -1 0 342.351 2.254 20 5 EEBDRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000920322855 770675420 /nfs/dbraw/zinc/67/54/20/770675420.db2.gz AQNWANVYIGCXMO-CSKARUKUSA-N -1 0 326.374 2.455 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)nn1C ZINC000795338612 790953443 /nfs/dbraw/zinc/95/34/43/790953443.db2.gz CRDIIDBMHWHUSC-UHFFFAOYSA-N -1 0 348.743 2.230 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nn1C ZINC000817352383 784693070 /nfs/dbraw/zinc/69/30/70/784693070.db2.gz GNVAQKWMBHIQQW-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000112492681 786064522 /nfs/dbraw/zinc/06/45/22/786064522.db2.gz VITBNVHMKFPAIQ-JTQLQIEISA-N -1 0 328.390 2.399 20 5 EEBDRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000821124331 786609332 /nfs/dbraw/zinc/60/93/32/786609332.db2.gz SJLLAPTYZATPJJ-LBPRGKRZSA-N -1 0 348.352 2.207 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@H]2CC(C)C)n1 ZINC000910375952 786704540 /nfs/dbraw/zinc/70/45/40/786704540.db2.gz UHVMRTNQQWPTQD-GFCCVEGCSA-N -1 0 336.392 2.163 20 5 EEBDRM C[C@H]1C[N@H+](CCC(=O)[O-])CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000910458057 786785976 /nfs/dbraw/zinc/78/59/76/786785976.db2.gz PFFUBDCXVVGRAC-LBPRGKRZSA-N -1 0 344.371 2.128 20 5 EEBDRM C[C@]1(C(=O)[O-])CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000910479272 786809987 /nfs/dbraw/zinc/80/99/87/786809987.db2.gz HVYCKZALPUWDTR-GFCCVEGCSA-N -1 0 334.250 2.294 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000844219908 788910030 /nfs/dbraw/zinc/91/00/30/788910030.db2.gz XHZFQKXNSDZKFA-MRXNPFEDSA-N -1 0 336.344 2.115 20 5 EEBDRM CCCCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844883891 789430449 /nfs/dbraw/zinc/43/04/49/789430449.db2.gz PNETXDGFIHBCRH-UHFFFAOYSA-N -1 0 330.362 2.152 20 5 EEBDRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000796738014 808799435 /nfs/dbraw/zinc/79/94/35/808799435.db2.gz PGKRPRINPOCUPZ-SNVBAGLBSA-N -1 0 344.389 2.235 20 5 EEBDRM CCOC(=O)C1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCC1 ZINC000791836301 809451920 /nfs/dbraw/zinc/45/19/20/809451920.db2.gz CSYDWYVYEPDOBE-UHFFFAOYSA-N -1 0 336.344 2.154 20 5 EEBDRM O=C([O-])CCC(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001611421611 971042168 /nfs/dbraw/zinc/04/21/68/971042168.db2.gz PCPCPWHNBMWUGW-UHFFFAOYSA-N -1 0 332.106 2.265 20 5 EEBDRM CC[C@@H](OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001589575838 948948669 /nfs/dbraw/zinc/94/86/69/948948669.db2.gz AHPCKWYWXKYMNM-GFCCVEGCSA-N -1 0 333.300 2.015 20 5 EEBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001589591480 949088730 /nfs/dbraw/zinc/08/87/30/949088730.db2.gz GWUQNOVUTIIADJ-MRXNPFEDSA-N -1 0 338.335 2.380 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)ccn1 ZINC001595208092 952346002 /nfs/dbraw/zinc/34/60/02/952346002.db2.gz QEMZAWNAUUYGCP-QWHCGFSZSA-N -1 0 327.296 2.430 20 5 EEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001589298284 953666056 /nfs/dbraw/zinc/66/60/56/953666056.db2.gz LNKFOGPZLQQIPJ-CMPLNLGQSA-N -1 0 338.335 2.378 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001589302948 953703230 /nfs/dbraw/zinc/70/32/30/953703230.db2.gz CHCNTSJISKRRRN-GHMZBOCLSA-N -1 0 338.385 2.399 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001594818068 953882553 /nfs/dbraw/zinc/88/25/53/953882553.db2.gz GLMVVCDMEPQZGP-WDEREUQCSA-N -1 0 330.300 2.034 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848454777 955744888 /nfs/dbraw/zinc/74/48/88/955744888.db2.gz VYNCLRXHWMPYRA-INTQDDNPSA-N -1 0 335.360 2.042 20 5 EEBDRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCCNc1ccccc1[N+](=O)[O-] ZINC001594672736 956630362 /nfs/dbraw/zinc/63/03/62/956630362.db2.gz RPKPJLDARZVKMD-SOFGYWHQSA-N -1 0 345.311 2.128 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)C1CCC1 ZINC001594735820 957069323 /nfs/dbraw/zinc/06/93/23/957069323.db2.gz GONWFMNJWHOGHC-JTQLQIEISA-N -1 0 326.736 2.479 20 5 EEBDRM CON(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001594036677 957820460 /nfs/dbraw/zinc/82/04/60/957820460.db2.gz SKHUOFONYTVQBQ-QMMMGPOBSA-N -1 0 330.724 2.044 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3CC[C@@H](C(=O)[O-])C3)c2c1 ZINC001594117302 958560107 /nfs/dbraw/zinc/56/01/07/958560107.db2.gz KJMVXPLUPNHOCJ-ZJUUUORDSA-N -1 0 331.328 2.239 20 5 EEBDRM CC(C)(CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(=O)[O-] ZINC001588773554 961263512 /nfs/dbraw/zinc/26/35/12/961263512.db2.gz VNWSOSYUOPISRE-UHFFFAOYSA-N -1 0 344.755 2.453 20 5 EEBDRM Cc1nc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)ncc1[N+](=O)[O-] ZINC001329587152 961281604 /nfs/dbraw/zinc/28/16/04/961281604.db2.gz FPAYHLKZTVWXOA-UHFFFAOYSA-N -1 0 349.372 2.232 20 5 EEBDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001605025949 972638138 /nfs/dbraw/zinc/63/81/38/972638138.db2.gz PRXGRXTWVUANFJ-GLEZIHRCSA-N -1 0 330.300 2.034 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001603360745 972828894 /nfs/dbraw/zinc/82/88/94/972828894.db2.gz XZFKYLBWIATCCA-YPMHNXCESA-N -1 0 348.355 2.127 20 5 EEBDRM C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C(=O)[O-] ZINC001603407836 973074502 /nfs/dbraw/zinc/07/45/02/973074502.db2.gz UYGRMZWHERRTAJ-OTYXRUKQSA-N -1 0 331.328 2.401 20 5 EEBDRM CC(C)c1nc(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c[nH]1 ZINC001592011515 976687693 /nfs/dbraw/zinc/68/76/93/976687693.db2.gz JMRIJUBRYGITDI-UHFFFAOYSA-N -1 0 333.300 2.497 20 5 EEBDRM C[C@H](CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592655798 978639395 /nfs/dbraw/zinc/63/93/95/978639395.db2.gz WAXKREUZDUXGFX-BZNIZROVSA-N -1 0 335.360 2.205 20 5 EEBDRM C[C@@H](CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592655802 978639630 /nfs/dbraw/zinc/63/96/30/978639630.db2.gz WAXKREUZDUXGFX-ZBEGNZNMSA-N -1 0 335.360 2.205 20 5 EEBDRM C[C@@H](CNC(=O)c1cccc(C(=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC001592699129 979158529 /nfs/dbraw/zinc/15/85/29/979158529.db2.gz ZHFZOUZMLBVXLV-JTQLQIEISA-N -1 0 329.312 2.222 20 5 EEBDRM C[C@@H](CNC(=O)c1ccoc1CC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001592701371 979162439 /nfs/dbraw/zinc/16/24/39/979162439.db2.gz MUGDCMMMDUAFPM-JTQLQIEISA-N -1 0 332.312 2.348 20 5 EEBDRM CC(C)[C@@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000833474151 979190156 /nfs/dbraw/zinc/19/01/56/979190156.db2.gz WYVPIJYVXUDZCV-CYBMUJFWSA-N -1 0 340.288 2.088 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)COc1cc(OC)ccc1[N+](=O)[O-] ZINC001595045919 979256986 /nfs/dbraw/zinc/25/69/86/979256986.db2.gz YOEBQGKTZJTNGY-UHFFFAOYSA-N -1 0 325.317 2.442 20 5 EEBDRM C[C@](NC(=O)Cc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593039751 980319736 /nfs/dbraw/zinc/31/97/36/980319736.db2.gz GDKBMKPVERQOFU-QGZVFWFLSA-N -1 0 346.314 2.393 20 5 EEBDRM CCCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001595817388 982680531 /nfs/dbraw/zinc/68/05/31/982680531.db2.gz VHUNEZVBRVUDFF-LBPRGKRZSA-N -1 0 338.360 2.384 20 5 EEBDRM CCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC001595859692 982791837 /nfs/dbraw/zinc/79/18/37/982791837.db2.gz WJICELKHHUURKY-UHFFFAOYSA-N -1 0 330.724 2.336 20 5 EEBDRM CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001594988267 982834380 /nfs/dbraw/zinc/83/43/80/982834380.db2.gz YKJMDAWTKZRDDD-OBCZMHBZSA-N -1 0 335.360 2.408 20 5 EEBDRM CC(=O)N(C)c1ccc(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001589046483 985122311 /nfs/dbraw/zinc/12/23/11/985122311.db2.gz ZRHXYPIHOOUUJD-UHFFFAOYSA-N -1 0 330.300 2.414 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H](C(=O)[O-])O1 ZINC001599931934 985331385 /nfs/dbraw/zinc/33/13/85/985331385.db2.gz IICALONEFQAICV-FZMZJTMJSA-N -1 0 343.339 2.335 20 5 EEBDRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001599971091 986007735 /nfs/dbraw/zinc/00/77/35/986007735.db2.gz LHPSWIUDQQOMBJ-VXNVDRBHSA-N -1 0 343.133 2.059 20 5 EEBDRM C[C@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C[C@H](C)S1 ZINC001594539339 986170187 /nfs/dbraw/zinc/17/01/87/986170187.db2.gz RDQUOIRPDNYESS-QWRGUYRKSA-N -1 0 340.401 2.384 20 5 EEBDRM CC[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597349712 987488028 /nfs/dbraw/zinc/48/80/28/987488028.db2.gz SSPIQPIEYNVOHJ-LBPRGKRZSA-N -1 0 344.389 2.076 20 5 EEBDRM CSc1ccc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001599810154 988320161 /nfs/dbraw/zinc/32/01/61/988320161.db2.gz IPHCMLVJWOPLGH-FTGAXOIBSA-N -1 0 336.369 2.300 20 5 EEBDRM CSc1cccc(C(=O)Nc2ccc(C(=O)[O-])nn2)c1[N+](=O)[O-] ZINC001599821433 988520388 /nfs/dbraw/zinc/52/03/88/988520388.db2.gz BEFYPHBJSIQRCU-UHFFFAOYSA-N -1 0 334.313 2.057 20 5 EEBDRM CC(C)(CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C(=O)[O-] ZINC001590693507 990408848 /nfs/dbraw/zinc/40/88/48/990408848.db2.gz POXWWFXLGDPYMQ-UHFFFAOYSA-N -1 0 335.360 2.400 20 5 EEBDRM CC(C)[C@@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001591036884 991367583 /nfs/dbraw/zinc/36/75/83/991367583.db2.gz ZUVOWBFJTHTHJW-OAHLLOKOSA-N -1 0 335.360 2.256 20 5 EEBDRM COc1nc(NCCNc2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001599731708 991718328 /nfs/dbraw/zinc/71/83/28/991718328.db2.gz PDKWKILYNPPKPA-UHFFFAOYSA-N -1 0 332.316 2.221 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001598502392 992450894 /nfs/dbraw/zinc/45/08/94/992450894.db2.gz XBRZKFRJNIOFFP-UHFFFAOYSA-N -1 0 349.387 2.424 20 5 EEBDRM CC(C)Cc1noc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n1 ZINC001591497646 992634366 /nfs/dbraw/zinc/63/43/66/992634366.db2.gz DWKJMYKKXIETFP-MRXNPFEDSA-N -1 0 348.359 2.266 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171684 994033448 /nfs/dbraw/zinc/03/34/48/994033448.db2.gz YEOOUCJMQKIKER-UTUOFQBUSA-N -1 0 349.387 2.423 20 5 EEBDRM CNC(=O)C(C)(C)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598630089 994160209 /nfs/dbraw/zinc/16/02/09/994160209.db2.gz IBIXFPIEVLATQW-UHFFFAOYSA-N -1 0 329.740 2.131 20 5 EEBDRM CNc1nnc(SCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])s1 ZINC001598682719 994956654 /nfs/dbraw/zinc/95/66/54/994956654.db2.gz SGCUVSXBMUWVRP-UHFFFAOYSA-N -1 0 326.359 2.479 20 5 EEBDRM COC(=O)[C@H](CC1CC1)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001598698322 995178874 /nfs/dbraw/zinc/17/88/74/995178874.db2.gz OVXRDUPEMYOEGC-IYNGYCSASA-N -1 0 334.328 2.446 20 5 EEBDRM C[C@H](OC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)C(C)(C)C(=O)[O-] ZINC001593593901 995728549 /nfs/dbraw/zinc/72/85/49/995728549.db2.gz SSMWASNNPSBQEV-ZETCQYMHSA-N -1 0 343.719 2.473 20 5 EEBDRM COc1cc(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc(OC)c1 ZINC001599404456 997271509 /nfs/dbraw/zinc/27/15/09/997271509.db2.gz PUUGUIIWWZCUEC-UHFFFAOYSA-N -1 0 347.327 2.360 20 5 EEBDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc([N+](=O)[O-])s2)c1O ZINC001599361185 998263768 /nfs/dbraw/zinc/26/37/68/998263768.db2.gz ADZUTQSMHKZBTB-UHFFFAOYSA-N -1 0 338.297 2.321 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001594158726 998588311 /nfs/dbraw/zinc/58/83/11/998588311.db2.gz LOWXCCAVDKPENT-SVRRBLITSA-N -1 0 330.699 2.323 20 5 EEBDRM COC(=O)c1cccnc1COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599003910 998842504 /nfs/dbraw/zinc/84/25/04/998842504.db2.gz BIUMQFXLDBNGIN-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM CCc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000174022447 529664474 /nfs/dbraw/zinc/66/44/74/529664474.db2.gz JFKRWLPTAODXTA-UHFFFAOYSA-N -1 0 343.386 2.423 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(c2ccccc2F)CC1 ZINC000427907483 241494333 /nfs/dbraw/zinc/49/43/33/241494333.db2.gz WIIFFCKICZLENY-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM CCC[C@](C)(NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236842916 242380959 /nfs/dbraw/zinc/38/09/59/242380959.db2.gz UBXMRVRQIYSERK-INIZCTEOSA-N -1 0 346.343 2.154 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045622489 213744866 /nfs/dbraw/zinc/74/48/66/213744866.db2.gz DMFYQJMFEBPMED-JTQLQIEISA-N -1 0 345.149 2.293 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC([C@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000263523511 245437329 /nfs/dbraw/zinc/43/73/29/245437329.db2.gz INIMFEACJAVNIV-OAHLLOKOSA-N -1 0 348.355 2.324 20 5 EEBDRM COC(=O)NCc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000495083109 247063532 /nfs/dbraw/zinc/06/35/32/247063532.db2.gz CDHHKSCKFLDQKV-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM Cn1ccnc1-c1csc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000119267019 140786746 /nfs/dbraw/zinc/78/67/46/140786746.db2.gz ZGLULBIXJFHEGZ-UHFFFAOYSA-N -1 0 345.340 2.410 20 5 EEBDRM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531066 292209044 /nfs/dbraw/zinc/20/90/44/292209044.db2.gz OGNQLRMWKFGUTA-UHFFFAOYSA-N -1 0 339.307 2.323 20 5 EEBDRM CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000263041848 152363527 /nfs/dbraw/zinc/36/35/27/152363527.db2.gz VVCGQKOZELOEBN-SSDOTTSWSA-N -1 0 349.112 2.089 20 5 EEBDRM CCCC[C@@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000263180030 152396071 /nfs/dbraw/zinc/39/60/71/152396071.db2.gz LNFVKAMBXYXIRB-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000263330390 160457043 /nfs/dbraw/zinc/45/70/43/160457043.db2.gz LJOMXQXHAJBTPB-PWSUYJOCSA-N -1 0 347.371 2.352 20 5 EEBDRM CN1C(=O)CCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])ccc21 ZINC000130481729 292374095 /nfs/dbraw/zinc/37/40/95/292374095.db2.gz SMTVQUCMGXAWON-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM CC(C)Oc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cn1 ZINC000130612584 292376362 /nfs/dbraw/zinc/37/63/62/292376362.db2.gz BQEHQSLYCAQHGI-UHFFFAOYSA-N -1 0 331.328 2.413 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119172914 159373286 /nfs/dbraw/zinc/37/32/86/159373286.db2.gz CUBYYRDAYBDDNO-LLVKDONJSA-N -1 0 345.359 2.280 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000184944079 160021671 /nfs/dbraw/zinc/02/16/71/160021671.db2.gz QNUBEVPTAMLVQF-CQSZACIVSA-N -1 0 326.308 2.352 20 5 EEBDRM COc1c(F)cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000188241973 160119301 /nfs/dbraw/zinc/11/93/01/160119301.db2.gz KMVLOODLPQWSMC-UHFFFAOYSA-N -1 0 325.227 2.235 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)s1 ZINC000344979302 161260977 /nfs/dbraw/zinc/26/09/77/161260977.db2.gz XHQIJFHPHHKKJG-UHFFFAOYSA-N -1 0 330.309 2.276 20 5 EEBDRM CN(Cc1cn2c(n1)CCCC2)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000372870053 166800308 /nfs/dbraw/zinc/80/03/08/166800308.db2.gz FSFRAKYAFHDRCT-UHFFFAOYSA-N -1 0 330.344 2.105 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1C(N)=O ZINC000172183907 273990632 /nfs/dbraw/zinc/99/06/32/273990632.db2.gz MSIHFMYMGOQHBZ-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[nH]1 ZINC000277933198 274325032 /nfs/dbraw/zinc/32/50/32/274325032.db2.gz RZWDDMSSUOUCBD-RKDXNWHRSA-N -1 0 333.348 2.423 20 5 EEBDRM CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262897012 280315346 /nfs/dbraw/zinc/31/53/46/280315346.db2.gz PBXJDIKJMQUYQX-UFBFGSQYSA-N -1 0 344.751 2.241 20 5 EEBDRM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1ccsc1 ZINC000159397943 311340982 /nfs/dbraw/zinc/34/09/82/311340982.db2.gz OYTUMQIOTRJLJO-AATRIKPKSA-N -1 0 338.366 2.175 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000416445685 313225471 /nfs/dbraw/zinc/22/54/71/313225471.db2.gz MKEFZZSHRRZXHA-ZIAGYGMSSA-N -1 0 335.360 2.025 20 5 EEBDRM Cc1cccc2c1OC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000436821312 315001780 /nfs/dbraw/zinc/00/17/80/315001780.db2.gz OSRGNWJMFQMWJU-GFCCVEGCSA-N -1 0 328.324 2.342 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(Cc2cccs2)CC1 ZINC000436954197 315015956 /nfs/dbraw/zinc/01/59/56/315015956.db2.gz DXSWWCPXNYIESF-UHFFFAOYSA-N -1 0 347.396 2.320 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436969803 315018190 /nfs/dbraw/zinc/01/81/90/315018190.db2.gz ANETUKJHFFURFI-NWDGAFQWSA-N -1 0 349.387 2.114 20 5 EEBDRM CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000437002261 315022719 /nfs/dbraw/zinc/02/27/19/315022719.db2.gz PVMCRNMZBRCHSA-NWDGAFQWSA-N -1 0 349.387 2.114 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(O)c1 ZINC000442836168 315214435 /nfs/dbraw/zinc/21/44/35/315214435.db2.gz NIVMTTBDWBZHHJ-UHFFFAOYSA-N -1 0 344.370 2.480 20 5 EEBDRM O=C([O-])c1cc(N2CCC([C@H](O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000514606296 316402134 /nfs/dbraw/zinc/40/21/34/316402134.db2.gz WYASUCCTALFWBE-LBPRGKRZSA-N -1 0 348.277 2.433 20 5 EEBDRM Cc1cc(S(=O)(=O)N[C@H](C)CCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000547901133 318333157 /nfs/dbraw/zinc/33/31/57/318333157.db2.gz MYJQKDXGZRLEMN-LLVKDONJSA-N -1 0 344.389 2.215 20 5 EEBDRM CCC[C@H](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000548595941 318397387 /nfs/dbraw/zinc/39/73/87/318397387.db2.gz CTDQTKOSFJSYAN-GXFFZTMASA-N -1 0 344.389 2.153 20 5 EEBDRM Cc1cc(S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC000562736976 318923891 /nfs/dbraw/zinc/92/38/91/318923891.db2.gz MXTJJJCYVWJZMT-NSHDSACASA-N -1 0 344.389 2.084 20 5 EEBDRM C[C@H]1CCCCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000564447920 319085786 /nfs/dbraw/zinc/08/57/86/319085786.db2.gz GXCRKEOYXTYXFK-JTQLQIEISA-N -1 0 342.373 2.104 20 5 EEBDRM CC[C@@H](C[C@@H](C)CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565027532 319140387 /nfs/dbraw/zinc/14/03/87/319140387.db2.gz URCXGPFTGIOPMC-SCZZXKLOSA-N -1 0 330.768 2.481 20 5 EEBDRM Cc1cc(NC[C@@H](O)COCC(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038992 319142507 /nfs/dbraw/zinc/14/25/07/319142507.db2.gz XZVFIIIEEKPMBR-GFCCVEGCSA-N -1 0 326.349 2.047 20 5 EEBDRM Cc1nccn1CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566272020 319267304 /nfs/dbraw/zinc/26/73/04/319267304.db2.gz ZLYFCDGXJKKREM-UHFFFAOYSA-N -1 0 338.751 2.279 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)OCCCO3)n1 ZINC000566563715 319300939 /nfs/dbraw/zinc/30/09/39/319300939.db2.gz LEXJNLIJCBTWCL-UHFFFAOYSA-N -1 0 345.311 2.461 20 5 EEBDRM C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000567734545 319413443 /nfs/dbraw/zinc/41/34/43/319413443.db2.gz OKFLTNRYJHBJBU-UFBFGSQYSA-N -1 0 326.736 2.431 20 5 EEBDRM Cc1nnc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)n1C1CC1 ZINC000567983397 319441333 /nfs/dbraw/zinc/44/13/33/319441333.db2.gz FYAPDQMJIDOWOJ-UHFFFAOYSA-N -1 0 331.332 2.448 20 5 EEBDRM C[C@@H]1OCC[C@]12CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C[C@@H](C)O2 ZINC000574280328 320012357 /nfs/dbraw/zinc/01/23/57/320012357.db2.gz FGAQRDCSEYUNLC-GDLVEWKHSA-N -1 0 336.344 2.066 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000577518448 320260797 /nfs/dbraw/zinc/26/07/97/320260797.db2.gz UZZVGXAQANYSTH-GFCCVEGCSA-N -1 0 328.328 2.379 20 5 EEBDRM COC[C@H](Cc1ccccc1)N(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578774711 323705572 /nfs/dbraw/zinc/70/55/72/323705572.db2.gz MFMWDPBJMPBERV-ZDUSSCGKSA-N -1 0 345.355 2.382 20 5 EEBDRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc([N+](=O)[O-])c[nH]1 ZINC000347457686 465033780 /nfs/dbraw/zinc/03/37/80/465033780.db2.gz PWRAJWFQUKGYCX-UHFFFAOYSA-N -1 0 329.341 2.039 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000327181930 465050252 /nfs/dbraw/zinc/05/02/52/465050252.db2.gz WBVPRAPZSGQPEO-CQSZACIVSA-N -1 0 342.307 2.189 20 5 EEBDRM COc1ccc(C(=O)NCCc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000327736204 465053098 /nfs/dbraw/zinc/05/30/98/465053098.db2.gz MVUPCQXGMAGDLZ-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM Cc1nn(C)c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1C ZINC000351612356 465251094 /nfs/dbraw/zinc/25/10/94/465251094.db2.gz VYYGLPMRKNFFNI-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM COc1cncc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000337233993 465258886 /nfs/dbraw/zinc/25/88/86/465258886.db2.gz AGMTYNPIAPYNSS-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590598225 468283029 /nfs/dbraw/zinc/28/30/29/468283029.db2.gz PPDUYSQEPUEAEN-UHFFFAOYSA-N -1 0 329.309 2.448 20 5 EEBDRM Cc1cccn2cc(CCNC(=O)c3cccc([N+](=O)[O-])c3[O-])nc12 ZINC000155798089 462944747 /nfs/dbraw/zinc/94/47/47/462944747.db2.gz IRBSNWBQEZRIBH-UHFFFAOYSA-N -1 0 340.339 2.229 20 5 EEBDRM CCc1onc(C)c1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000134757371 463078942 /nfs/dbraw/zinc/07/89/42/463078942.db2.gz PEFIJRHSJVADJT-UHFFFAOYSA-N -1 0 329.309 2.394 20 5 EEBDRM O=C(Nc1nnn[n-]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000135471203 463161102 /nfs/dbraw/zinc/16/11/02/463161102.db2.gz IXHRFGJIJVKSMF-UHFFFAOYSA-N -1 0 326.272 2.153 20 5 EEBDRM CN1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)Cc2ccccc21 ZINC000069542605 463273558 /nfs/dbraw/zinc/27/35/58/463273558.db2.gz KNYNEOZYVVLRTD-UHFFFAOYSA-N -1 0 327.340 2.393 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)ccc1[N+](=O)[O-] ZINC000160651194 463358532 /nfs/dbraw/zinc/35/85/32/463358532.db2.gz LOCFKUYVHCELMC-UHFFFAOYSA-N -1 0 340.361 2.251 20 5 EEBDRM CCc1ncc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000161905349 463467818 /nfs/dbraw/zinc/46/78/18/463467818.db2.gz OWZKCIXUDABZEX-UHFFFAOYSA-N -1 0 342.764 2.401 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)c(C)nn1C ZINC000107037477 463556277 /nfs/dbraw/zinc/55/62/77/463556277.db2.gz DVGCHOGOLJCRFW-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165159904 463640775 /nfs/dbraw/zinc/64/07/75/463640775.db2.gz UIKVTUQELRWSKN-ZETCQYMHSA-N -1 0 345.149 2.150 20 5 EEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)C1CCCCC1 ZINC000255354165 463718935 /nfs/dbraw/zinc/71/89/35/463718935.db2.gz LLIBLYRMIZNXGO-FLIBITNWSA-N -1 0 338.385 2.387 20 5 EEBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000261848109 463878756 /nfs/dbraw/zinc/87/87/56/463878756.db2.gz ZLAPHOGVESWCJS-LBPRGKRZSA-N -1 0 332.234 2.074 20 5 EEBDRM O=C(NCCc1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1[O-] ZINC000178374856 463889700 /nfs/dbraw/zinc/88/97/00/463889700.db2.gz OXVZASBIINVZOU-UHFFFAOYSA-N -1 0 328.324 2.208 20 5 EEBDRM CCCC[C@H](NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000263340444 464087771 /nfs/dbraw/zinc/08/77/71/464087771.db2.gz RTEHOFSKUILBAZ-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000263363152 464091314 /nfs/dbraw/zinc/09/13/14/464091314.db2.gz SLQSNAWVJOUQPP-VXGBXAGGSA-N -1 0 336.344 2.075 20 5 EEBDRM O=C([O-])[C@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000263427260 464103718 /nfs/dbraw/zinc/10/37/18/464103718.db2.gz MJQWHIUKEDSIHR-LLVKDONJSA-N -1 0 344.726 2.396 20 5 EEBDRM CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179471291 464141316 /nfs/dbraw/zinc/14/13/16/464141316.db2.gz XQCSVTUEZSBZBA-GFCCVEGCSA-N -1 0 349.387 2.069 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)Nc1ccccc1 ZINC000179493255 464146372 /nfs/dbraw/zinc/14/63/72/464146372.db2.gz ZHEZCDDJBYUKPU-JTQLQIEISA-N -1 0 329.312 2.057 20 5 EEBDRM O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356626322 465464102 /nfs/dbraw/zinc/46/41/02/465464102.db2.gz BPOWRHYECNZKPT-LBPRGKRZSA-N -1 0 348.330 2.021 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)ccc1[N+](=O)[O-] ZINC000285155034 464469196 /nfs/dbraw/zinc/46/91/96/464469196.db2.gz SACZDMMRSGEHBX-UHFFFAOYSA-N -1 0 336.373 2.237 20 5 EEBDRM O=C(NC1CCN(c2nccs2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000281655668 464537524 /nfs/dbraw/zinc/53/75/24/464537524.db2.gz OAKNFGHOYYBKDR-UHFFFAOYSA-N -1 0 348.384 2.156 20 5 EEBDRM COCCn1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1C ZINC000272607660 464677501 /nfs/dbraw/zinc/67/75/01/464677501.db2.gz MXKHHMKEKVYZJJ-UHFFFAOYSA-N -1 0 334.332 2.012 20 5 EEBDRM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000253186153 464989050 /nfs/dbraw/zinc/98/90/50/464989050.db2.gz VHSMVTITXAGWLW-BPLDGKMQSA-N -1 0 332.356 2.378 20 5 EEBDRM CCOc1ccc([N-]S(=O)(=O)c2cncc(F)c2)c([N+](=O)[O-])c1 ZINC000342954827 465412087 /nfs/dbraw/zinc/41/20/87/465412087.db2.gz HEPZDMUPWCADID-UHFFFAOYSA-N -1 0 341.320 2.328 20 5 EEBDRM C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC000593961411 468445725 /nfs/dbraw/zinc/44/57/25/468445725.db2.gz HSCTWSJASOEEQL-ZCFIWIBFSA-N -1 0 335.238 2.456 20 5 EEBDRM CN(CCC(=O)[O-])C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000362610041 465881278 /nfs/dbraw/zinc/88/12/78/465881278.db2.gz YPCCHMWHTFJQFC-UHFFFAOYSA-N -1 0 335.341 2.265 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000340215022 465887116 /nfs/dbraw/zinc/88/71/16/465887116.db2.gz NSJAQOXSQGQMBT-JTQLQIEISA-N -1 0 334.332 2.072 20 5 EEBDRM Cc1nc(C=Cc2ccc([N+](=O)[O-])cc2F)[nH]c(=O)c1CC(=O)[O-] ZINC000349115907 465978634 /nfs/dbraw/zinc/97/86/34/465978634.db2.gz XZXTZIPUWAQLMQ-HYXAFXHYSA-N -1 0 333.275 2.335 20 5 EEBDRM CCCCOc1ncccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000357911595 466312449 /nfs/dbraw/zinc/31/24/49/466312449.db2.gz JYXLAPBNRLTVKJ-UHFFFAOYSA-N -1 0 346.343 2.199 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367702917 466503077 /nfs/dbraw/zinc/50/30/77/466503077.db2.gz DXIZDMXUAYXISD-QGZVFWFLSA-N -1 0 346.314 2.173 20 5 EEBDRM Cc1cccn2cc(CNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)nc12 ZINC000428051342 467199115 /nfs/dbraw/zinc/19/91/15/467199115.db2.gz YORJPFIJUQKNNQ-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM CCC(=O)c1ccc([O-])c(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000436649655 467549029 /nfs/dbraw/zinc/54/90/29/467549029.db2.gz PJIALXDZJVDQJL-UHFFFAOYSA-N -1 0 331.284 2.246 20 5 EEBDRM C[S@@](=O)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436712788 467552273 /nfs/dbraw/zinc/55/22/73/467552273.db2.gz OVJGGOBIKIKIML-XMMPIXPASA-N -1 0 348.380 2.109 20 5 EEBDRM Cc1cc(N2CCC(F)(F)[C@@H](CO)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000517573104 468089701 /nfs/dbraw/zinc/08/97/01/468089701.db2.gz WNIUENXUGXRAET-SECBINFHSA-N -1 0 330.287 2.055 20 5 EEBDRM COc1cccc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1OC ZINC000576470242 468166744 /nfs/dbraw/zinc/16/67/44/468166744.db2.gz ZOZHVKZTBITKOU-UHFFFAOYSA-N -1 0 347.327 2.626 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCO[C@@H]2CCCC[C@H]2C)n1 ZINC000577955347 468194835 /nfs/dbraw/zinc/19/48/35/468194835.db2.gz PAURIKJYHQEPGQ-ZWNOBZJWSA-N -1 0 337.376 3.004 20 5 EEBDRM C[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000590423237 468252008 /nfs/dbraw/zinc/25/20/08/468252008.db2.gz IMEVOTNODBTPFM-QMMMGPOBSA-N -1 0 328.284 2.328 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594464253 468596198 /nfs/dbraw/zinc/59/61/98/468596198.db2.gz WIEIZNHIRSRMMN-TVYUQYBPSA-N -1 0 335.360 2.163 20 5 EEBDRM CN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(C)(C)C1 ZINC000570163100 468598439 /nfs/dbraw/zinc/59/84/39/468598439.db2.gz CEMZEKKJJOITDM-UHFFFAOYSA-N -1 0 327.768 2.120 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nccc(C2CC2)n1 ZINC000600668158 468615132 /nfs/dbraw/zinc/61/51/32/468615132.db2.gz SVSLPBIEPQJXLM-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](OC3CCC3)C2)cc([N+](=O)[O-])c1 ZINC000594596820 468630794 /nfs/dbraw/zinc/63/07/94/468630794.db2.gz CUGXXFWQJFKACG-OAHLLOKOSA-N -1 0 348.355 2.467 20 5 EEBDRM C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000600800319 468661044 /nfs/dbraw/zinc/66/10/44/468661044.db2.gz KVXLRFZMGVMQAH-ZWNOBZJWSA-N -1 0 347.371 2.034 20 5 EEBDRM Cc1cc(N2CCN(c3ccc(C(=O)[O-])cn3)CC2)ccc1[N+](=O)[O-] ZINC000570725075 468684389 /nfs/dbraw/zinc/68/43/89/468684389.db2.gz MMWXOERHHHZTLV-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2Cc3cccc(O)c3C2)n1 ZINC000571332481 468773315 /nfs/dbraw/zinc/77/33/15/468773315.db2.gz XSTAMMDYBAOLEG-SNVBAGLBSA-N -1 0 329.312 2.281 20 5 EEBDRM CCOc1ccc(C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000595251563 468793901 /nfs/dbraw/zinc/79/39/01/468793901.db2.gz SLFXSGDSNCNSBR-BBRMVZONSA-N -1 0 336.344 2.367 20 5 EEBDRM O=C([O-])c1ccnc(N2CCOC(C3CC3)(C3CC3)C2)c1[N+](=O)[O-] ZINC000595277493 468798437 /nfs/dbraw/zinc/79/84/37/468798437.db2.gz LPWUVCZBPVXRGA-UHFFFAOYSA-N -1 0 333.344 2.083 20 5 EEBDRM O=C([O-])c1cnc(N2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000592976043 468832189 /nfs/dbraw/zinc/83/21/89/468832189.db2.gz UYWQBIBWHDEIPA-LBPRGKRZSA-N -1 0 328.328 2.152 20 5 EEBDRM CCc1nn(C)c(NC[C@](C)(C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC000593327078 468939993 /nfs/dbraw/zinc/93/99/93/468939993.db2.gz JVIMUWHVMAJXGW-INIZCTEOSA-N -1 0 332.360 2.345 20 5 EEBDRM CN(CC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000598662182 468950384 /nfs/dbraw/zinc/95/03/84/468950384.db2.gz RDVFWCXPQGYUJS-INIZCTEOSA-N -1 0 349.387 2.181 20 5 EEBDRM CNc1ccc(C(=O)N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000598662445 468950597 /nfs/dbraw/zinc/95/05/97/468950597.db2.gz OZSASPVXGLXXGZ-SJCJKPOMSA-N -1 0 347.371 2.354 20 5 EEBDRM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CCC(=O)[O-])CC1 ZINC000595881656 469062446 /nfs/dbraw/zinc/06/24/46/469062446.db2.gz DUDCMXCCNVHMKT-GFCCVEGCSA-N -1 0 349.387 2.499 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000610845392 469087350 /nfs/dbraw/zinc/08/73/50/469087350.db2.gz DWHCOSOTWKHMIM-AWEZNQCLSA-N -1 0 337.376 2.402 20 5 EEBDRM O=C1CCCN1Cc1ccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000596084133 469145708 /nfs/dbraw/zinc/14/57/08/469145708.db2.gz IQXOFOKQKFBTPD-UHFFFAOYSA-N -1 0 342.355 2.430 20 5 EEBDRM CCn1nccc1C1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000563204455 469197745 /nfs/dbraw/zinc/19/77/45/469197745.db2.gz LXOZVXSTGLCKRF-UHFFFAOYSA-N -1 0 345.359 2.288 20 5 EEBDRM COc1cccc(COCCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000563205345 469199338 /nfs/dbraw/zinc/19/93/38/469199338.db2.gz VAJKIHMRXHOVBC-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM CO[C@@H]1C[C@@H](C(=O)[O-])N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000563283539 469220847 /nfs/dbraw/zinc/22/08/47/469220847.db2.gz PBTCYQZWMBQDBO-KGLIPLIRSA-N -1 0 338.360 2.056 20 5 EEBDRM O=C([O-])[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000611463980 469255202 /nfs/dbraw/zinc/25/52/02/469255202.db2.gz MYKPUOXBDHBZGL-OAHLLOKOSA-N -1 0 348.286 2.055 20 5 EEBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000619541757 469634904 /nfs/dbraw/zinc/63/49/04/469634904.db2.gz SPCHZPHHIZKWJV-AWEZNQCLSA-N -1 0 335.360 2.176 20 5 EEBDRM Cc1ccc(S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598584453 485618532 /nfs/dbraw/zinc/61/85/32/485618532.db2.gz MIARFJYXWLTVDL-NSHDSACASA-N -1 0 344.389 2.084 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000158437028 534518515 /nfs/dbraw/zinc/51/85/15/534518515.db2.gz AAMHGJJPDMHTBF-LBPRGKRZSA-N -1 0 332.316 2.084 20 5 EEBDRM COC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000354297616 522253999 /nfs/dbraw/zinc/25/39/99/522253999.db2.gz UEYZPJDYRUQJCY-ZCFIWIBFSA-N -1 0 343.188 2.215 20 5 EEBDRM CCCC[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000236855269 534922694 /nfs/dbraw/zinc/92/26/94/534922694.db2.gz DCORDPNATFCCBC-CQSZACIVSA-N -1 0 346.343 2.154 20 5 EEBDRM CC(C)(CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000262958097 535038209 /nfs/dbraw/zinc/03/82/09/535038209.db2.gz JAVOZIDCGRFNMW-UHFFFAOYSA-N -1 0 346.343 2.011 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000733060808 577201483 /nfs/dbraw/zinc/20/14/83/577201483.db2.gz CLZWLMHRGQRONU-UHFFFAOYSA-N -1 0 332.353 2.230 20 5 EEBDRM C[C@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000753811818 577794170 /nfs/dbraw/zinc/79/41/70/577794170.db2.gz WKDNPKLBWBWHHB-MOIHINDBSA-N -1 0 330.387 2.208 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@H]2Cc3ccccc3O2)cc([N+](=O)[O-])c1 ZINC000740082468 578080186 /nfs/dbraw/zinc/08/01/86/578080186.db2.gz YWOZLIUTOCRPKW-CQSZACIVSA-N -1 0 328.280 2.235 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 ZINC000740087665 578080336 /nfs/dbraw/zinc/08/03/36/578080336.db2.gz FPPOTWJXBOPMLZ-UHFFFAOYSA-N -1 0 330.252 2.274 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000740245630 578087303 /nfs/dbraw/zinc/08/73/03/578087303.db2.gz VANRMHGWKJGISN-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(c1cc3c(cc1[N+](=O)[O-])CCC(=O)N3)CC2 ZINC000740305428 578089657 /nfs/dbraw/zinc/08/96/57/578089657.db2.gz HOLPUMYUDGBHCH-LLVKDONJSA-N -1 0 345.355 2.171 20 5 EEBDRM CC(=O)NC1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000736146093 578183275 /nfs/dbraw/zinc/18/32/75/578183275.db2.gz IJLMMWWFEUODFH-UHFFFAOYSA-N -1 0 349.343 2.071 20 5 EEBDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000736423892 578203059 /nfs/dbraw/zinc/20/30/59/578203059.db2.gz FUAWHAKWNIQLQV-GFCCVEGCSA-N -1 0 338.316 2.003 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N[C@H]2CC=CCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736656009 578216865 /nfs/dbraw/zinc/21/68/65/578216865.db2.gz HTTOHYBKGIPBJS-PWSUYJOCSA-N -1 0 333.344 2.318 20 5 EEBDRM C[C@@H](O)C[C@H](C)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736679001 578217729 /nfs/dbraw/zinc/21/77/29/578217729.db2.gz YKVNGWBQDJPHCJ-JGVFFNPUSA-N -1 0 327.293 2.020 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)CC(=O)[O-] ZINC000736703428 578218983 /nfs/dbraw/zinc/21/89/83/578218983.db2.gz TVTUQJOQVYYLTL-QMMMGPOBSA-N -1 0 344.751 2.385 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCSCC(=O)[O-] ZINC000737451176 578258424 /nfs/dbraw/zinc/25/84/24/578258424.db2.gz KTQAHFMQPVTAMD-UHFFFAOYSA-N -1 0 346.792 2.415 20 5 EEBDRM CN(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1)C(=O)[O-] ZINC000737485618 578260319 /nfs/dbraw/zinc/26/03/19/578260319.db2.gz XMZYMFMMPIKAPT-UHFFFAOYSA-N -1 0 346.299 2.058 20 5 EEBDRM O=C([O-])C1(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000821483506 598202217 /nfs/dbraw/zinc/20/22/17/598202217.db2.gz GWOBAVBVOSMBKE-UHFFFAOYSA-N -1 0 328.271 2.200 20 5 EEBDRM C/C(=C\COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000825759141 601406244 /nfs/dbraw/zinc/40/62/44/601406244.db2.gz XAOVFGPJSJPBQK-XYOKQWHBSA-N -1 0 348.355 2.385 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000833159886 601685327 /nfs/dbraw/zinc/68/53/27/601685327.db2.gz XQCFIIKAZRDFCX-LBPRGKRZSA-N -1 0 331.687 2.279 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000832476545 601755411 /nfs/dbraw/zinc/75/54/11/601755411.db2.gz QLHNDAGKVWPSMQ-CQSZACIVSA-N -1 0 336.344 2.367 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)OCCc2ccccc2[N+](=O)[O-])cc1 ZINC000833253811 601900564 /nfs/dbraw/zinc/90/05/64/601900564.db2.gz XPUVNTHPKPCSAP-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM CCCNC(=O)[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000829508621 602316132 /nfs/dbraw/zinc/31/61/32/602316132.db2.gz WIYZZMAHWCRCMR-LBPRGKRZSA-N -1 0 349.387 2.344 20 5 EEBDRM CN(CCOC(C)(C)C)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000830789895 604644912 /nfs/dbraw/zinc/64/49/12/604644912.db2.gz UGELXHXPZHSWRT-UHFFFAOYSA-N -1 0 341.320 2.453 20 5 EEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C(=O)[O-])c1ccccc1 ZINC000831005671 604802884 /nfs/dbraw/zinc/80/28/84/604802884.db2.gz VJZPYCBAIXRRIJ-AWEZNQCLSA-N -1 0 343.339 2.235 20 5 EEBDRM CC(C)(CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833459506 605082385 /nfs/dbraw/zinc/08/23/85/605082385.db2.gz YLMZHHQOQBMCGS-UHFFFAOYSA-N -1 0 332.259 2.037 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000833638159 605287576 /nfs/dbraw/zinc/28/75/76/605287576.db2.gz LJKBPLFYHMNKLS-LDYMZIIASA-N -1 0 330.287 2.302 20 5 EEBDRM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000826278614 609152050 /nfs/dbraw/zinc/15/20/50/609152050.db2.gz LQLSPNQYEZZTDL-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000261846472 681719051 /nfs/dbraw/zinc/71/90/51/681719051.db2.gz ZKNUOFJJYQNXIZ-UHFFFAOYSA-N -1 0 325.321 2.368 20 5 EEBDRM O=C(Nc1ccc(-n2ccnc2)nc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000024904844 684717922 /nfs/dbraw/zinc/71/79/22/684717922.db2.gz WITVYVOTUSWYGX-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000120625066 1198273629 /nfs/dbraw/zinc/27/36/29/1198273629.db2.gz WBSBTARAZIHENG-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM CCOC(=O)n1nc2c(c1[N-]c1cccnc1[N+](=O)[O-])CNC2(C)C ZINC001170760436 1199687122 /nfs/dbraw/zinc/68/71/22/1199687122.db2.gz LTUMAIBQLQFQKR-UHFFFAOYSA-N -1 0 346.347 2.273 20 5 EEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000877776037 1200092835 /nfs/dbraw/zinc/09/28/35/1200092835.db2.gz WXHHPFJPUMMYDS-CYBMUJFWSA-N -1 0 331.294 2.238 20 5 EEBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000778825499 1208364965 /nfs/dbraw/zinc/36/49/65/1208364965.db2.gz QPKCVRXTGNZIRI-UHFFFAOYSA-N -1 0 334.353 2.163 20 5 EEBDRM CC(=O)N[C@H](CCC(C)C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000850019744 1276996663 /nfs/dbraw/zinc/99/66/63/1276996663.db2.gz JQCXNRWZGYHCNM-CQSZACIVSA-N -1 0 338.360 2.285 20 5 EEBDRM CCCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000857035345 1293704612 /nfs/dbraw/zinc/70/46/12/1293704612.db2.gz GBXYBVPWEKVFBF-LBPRGKRZSA-N -1 0 343.405 2.257 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@](O)(c2ccccc2)C1 ZINC000862799368 1295967138 /nfs/dbraw/zinc/96/71/38/1295967138.db2.gz DJOSBVBNXDNLBQ-SFHVURJKSA-N -1 0 342.351 2.424 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1O[C@@H]1CCN(c2ccnc(Cl)n2)C1 ZINC001225491132 1301023459 /nfs/dbraw/zinc/02/34/59/1301023459.db2.gz MVCISTIXKNKIBK-SNVBAGLBSA-N -1 0 336.735 2.402 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)c1[N+](=O)[O-] ZINC001226022603 1301235454 /nfs/dbraw/zinc/23/54/54/1301235454.db2.gz YTZVKNLJSUEIKB-PSVAKVPMSA-N -1 0 337.332 2.081 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@H]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC001226022611 1301235953 /nfs/dbraw/zinc/23/59/53/1301235953.db2.gz YYUMCJOQTWFVOM-MYJAWHEDSA-N -1 0 339.348 2.471 20 5 EEBDRM CCOC(=O)[C@@H](CC(C)C)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-] ZINC001227624990 1301913917 /nfs/dbraw/zinc/91/39/17/1301913917.db2.gz LRWKIYIABDNFDA-MRVPVSSYSA-N -1 0 345.377 2.169 20 5 EEBDRM CSc1nc(O[C@H]2CCC(=O)CC2(C)C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624645 1301914481 /nfs/dbraw/zinc/91/44/81/1301914481.db2.gz BMOTXKGEBHJASZ-QMMMGPOBSA-N -1 0 327.362 2.339 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(OC2CCC(OC)CC2)cc1[O-] ZINC001228810479 1302459888 /nfs/dbraw/zinc/45/98/88/1302459888.db2.gz KTDYDKSDBOVHPX-UHFFFAOYSA-N -1 0 325.317 2.423 20 5 EEBDRM Cc1nc(O[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229382358 1302755508 /nfs/dbraw/zinc/75/55/08/1302755508.db2.gz SGIZFVGOZSBODF-ZDUSSCGKSA-N -1 0 330.344 2.447 20 5 EEBDRM CC/C=C\CCOC(=O)[C@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229382352 1302755525 /nfs/dbraw/zinc/75/55/25/1302755525.db2.gz SFHOUZXYUMHOPO-UDIARPCQSA-N -1 0 325.321 2.066 20 5 EEBDRM Cc1cc(=O)c(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n[n-]1 ZINC000797097990 1304644854 /nfs/dbraw/zinc/64/48/54/1304644854.db2.gz MCKMGYRJXWLJAQ-UHFFFAOYSA-N -1 0 331.328 2.420 20 5 EEBDRM O=[N+]([O-])c1sccc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC001116851921 1305923698 /nfs/dbraw/zinc/92/36/98/1305923698.db2.gz DSVUFECZWILPMN-UHFFFAOYSA-N -1 0 326.355 2.392 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C2=CCCCC2)cccc1[N+](=O)[O-] ZINC000842403879 1315697988 /nfs/dbraw/zinc/69/79/88/1315697988.db2.gz KBKQZAGUNSXLPX-UHFFFAOYSA-N -1 0 338.385 2.350 20 5 EEBDRM O=C([O-])c1cc(F)ccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001608511115 1351707413 /nfs/dbraw/zinc/70/74/13/1351707413.db2.gz BIUJDSSFZPSKRV-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1c(F)cccc1F ZINC001309876772 1331645890 /nfs/dbraw/zinc/64/58/90/1331645890.db2.gz LNGXCGAEYFBEGH-QMMMGPOBSA-N -1 0 343.311 2.308 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001608632496 1351730277 /nfs/dbraw/zinc/73/02/77/1351730277.db2.gz FLSGBFISZNDHAA-SSDOTTSWSA-N -1 0 332.234 2.160 20 5 EEBDRM O=C([O-])C[C@@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC001608701507 1351744681 /nfs/dbraw/zinc/74/46/81/1351744681.db2.gz GACOIYPXPLDCMF-SECBINFHSA-N -1 0 334.250 2.294 20 5 EEBDRM O=C([O-])CCCCCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001608711563 1351746675 /nfs/dbraw/zinc/74/66/75/1351746675.db2.gz ZVVRYHMRHKDGMI-UHFFFAOYSA-N -1 0 330.287 2.448 20 5 EEBDRM O=C([O-])c1ccc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)o1 ZINC001608893919 1351788620 /nfs/dbraw/zinc/78/86/20/1351788620.db2.gz GPLXTJOIJADTQU-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2c2ccc(=O)[nH]n2)c1 ZINC001608914412 1351792560 /nfs/dbraw/zinc/79/25/60/1351792560.db2.gz PIGPRXWUIXZRMT-CQSZACIVSA-N -1 0 344.327 2.126 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2nnc(-c3ccccc3)[nH]2)n1 ZINC001608915581 1351793456 /nfs/dbraw/zinc/79/34/56/1351793456.db2.gz FCSHHXUOUHZSTP-UHFFFAOYSA-N -1 0 340.299 2.085 20 5 EEBDRM O=C([O-])c1cnc(NCc2nccn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC001608978427 1351806872 /nfs/dbraw/zinc/80/68/72/1351806872.db2.gz XTEDYWZPRCXQBH-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H](OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC001609016034 1351815201 /nfs/dbraw/zinc/81/52/01/1351815201.db2.gz SPKHLGKXCGBLFY-DTWKUNHWSA-N -1 0 337.284 2.124 20 5 EEBDRM CC(C)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(=O)[O-] ZINC001329950537 1334747428 /nfs/dbraw/zinc/74/74/28/1334747428.db2.gz OAXDKMNTMLXQRF-CQSZACIVSA-N -1 0 335.360 2.019 20 5 EEBDRM Cn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CCC(F)(F)CC1 ZINC001338058913 1336783531 /nfs/dbraw/zinc/78/35/31/1336783531.db2.gz GQVHOSZEODYCFV-UHFFFAOYSA-N -1 0 339.302 2.331 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC001610076013 1352156581 /nfs/dbraw/zinc/15/65/81/1352156581.db2.gz GACYIMOIVOUZDR-UHFFFAOYSA-N -1 0 337.288 2.022 20 5 EEBDRM COc1ccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1NC(C)=O ZINC001610343094 1352208478 /nfs/dbraw/zinc/20/84/78/1352208478.db2.gz XMOPIRGYXLQVIX-UHFFFAOYSA-N -1 0 346.299 2.399 20 5 EEBDRM Cc1c(CC(=O)N(C)c2nc(CC(=O)[O-])cs2)cccc1[N+](=O)[O-] ZINC001610412028 1352218809 /nfs/dbraw/zinc/21/88/09/1352218809.db2.gz SSUOKYAUGAXNRS-UHFFFAOYSA-N -1 0 349.368 2.192 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2CSC[C@@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610423694 1352220339 /nfs/dbraw/zinc/22/03/39/1352220339.db2.gz CPHZEJHHJWPWBA-WRWORJQWSA-N -1 0 339.373 2.474 20 5 EEBDRM O=C([O-])c1cccc(Cc2cnc(NC(=O)[C@@H]3CC3[N+](=O)[O-])s2)c1 ZINC001610847568 1352284797 /nfs/dbraw/zinc/28/47/97/1352284797.db2.gz ZTCHHCJIGAINEU-VXGBXAGGSA-N -1 0 347.352 2.036 20 5 EEBDRM O=C([O-])c1sccc1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001610876018 1352289195 /nfs/dbraw/zinc/28/91/95/1352289195.db2.gz ZXXGFCNMJFOQSX-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM O=C([O-])C1(COC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC001610878184 1352289468 /nfs/dbraw/zinc/28/94/68/1352289468.db2.gz GZXGRMBMHSKSRG-UHFFFAOYSA-N -1 0 331.227 2.218 20 5 EEBDRM C[C@H](C(=O)c1cccc(Cl)c1)n1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1 ZINC001589033019 1348954282 /nfs/dbraw/zinc/95/42/82/1348954282.db2.gz UBOROGCWMQPKEO-SSDOTTSWSA-N -1 0 347.722 2.069 20 5 EEBDRM CCCCn1ncc([N-]c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1C ZINC001590615816 1349376927 /nfs/dbraw/zinc/37/69/27/1349376927.db2.gz GATZAAIJIYOZKR-UHFFFAOYSA-N -1 0 343.351 2.219 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2CCOC[C@@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041644 1349960628 /nfs/dbraw/zinc/96/06/28/1349960628.db2.gz RNWLXBIYKITKAU-GZMMTYOYSA-N -1 0 337.332 2.148 20 5 EEBDRM Cc1c(NCC(=O)N2CCC[C@@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600048662 1349961796 /nfs/dbraw/zinc/96/17/96/1349961796.db2.gz KWYKMEGTABANGM-SNVBAGLBSA-N -1 0 335.360 2.272 20 5 EEBDRM Cc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cn2)cc([N+](=O)[O-])c1 ZINC001600078137 1349966652 /nfs/dbraw/zinc/96/66/52/1349966652.db2.gz FNYRBEMGBVLHNX-UHFFFAOYSA-N -1 0 329.312 2.269 20 5 EEBDRM Cc1cc([C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)[O-])ccc1F ZINC001600146633 1349979871 /nfs/dbraw/zinc/97/98/71/1349979871.db2.gz OSPVGVIGBRGWDX-ZDUSSCGKSA-N -1 0 326.324 2.212 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H](COC(C)C)C(=O)[O-] ZINC001600164286 1349983470 /nfs/dbraw/zinc/98/34/70/1349983470.db2.gz JXGDFDPETIUMRE-CQSZACIVSA-N -1 0 338.360 2.162 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC001600215696 1349994994 /nfs/dbraw/zinc/99/49/94/1349994994.db2.gz FIBOYCINTGYOFQ-BDAKNGLRSA-N -1 0 326.736 2.492 20 5 EEBDRM Cc1cc(N2CCO[C@H](COC(C)C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600241188 1350000323 /nfs/dbraw/zinc/00/03/23/1350000323.db2.gz YBFCNBCSUYESNR-LBPRGKRZSA-N -1 0 338.360 2.232 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001600303104 1350015233 /nfs/dbraw/zinc/01/52/33/1350015233.db2.gz WKANVBBRSYTBDQ-AWEZNQCLSA-N -1 0 325.296 2.242 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)n1 ZINC001600304167 1350015666 /nfs/dbraw/zinc/01/56/66/1350015666.db2.gz JBJJHABZLHPDTM-UHFFFAOYSA-N -1 0 345.311 2.322 20 5 EEBDRM Cc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC001600446221 1350053500 /nfs/dbraw/zinc/05/35/00/1350053500.db2.gz UZDYBQLZUJWNJG-AWEZNQCLSA-N -1 0 330.296 2.274 20 5 EEBDRM Cc1ccc(OC[C@H](O)COc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001600469009 1350059384 /nfs/dbraw/zinc/05/93/84/1350059384.db2.gz XQBHOLCVFQCKQC-CYBMUJFWSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001600487058 1350063453 /nfs/dbraw/zinc/06/34/53/1350063453.db2.gz OWSRTZPLHMMSFD-LLVKDONJSA-N -1 0 344.327 2.063 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001600488053 1350063746 /nfs/dbraw/zinc/06/37/46/1350063746.db2.gz IALDOVFKLQOUQB-JTQLQIEISA-N -1 0 333.300 2.102 20 5 EEBDRM Cn1cc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC001600953809 1350176407 /nfs/dbraw/zinc/17/64/07/1350176407.db2.gz OUVOPAYAEXZDMK-KBPBESRZSA-N -1 0 330.344 2.119 20 5 EEBDRM Cn1cc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001600963076 1350177807 /nfs/dbraw/zinc/17/78/07/1350177807.db2.gz IGGWAYBQOAWPME-UHFFFAOYSA-N -1 0 337.719 2.466 20 5 EEBDRM Cn1cccc1[C@H]1COCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600981289 1350181838 /nfs/dbraw/zinc/18/18/38/1350181838.db2.gz SCTRVGMOYFWDHR-MRXNPFEDSA-N -1 0 345.355 2.205 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001601349191 1350263274 /nfs/dbraw/zinc/26/32/74/1350263274.db2.gz OVSSUVNFKNGUJQ-AWEZNQCLSA-N -1 0 347.352 2.024 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])c2ccccc21 ZINC001601843538 1350378532 /nfs/dbraw/zinc/37/85/32/1350378532.db2.gz VRIKEIMZHNWTEF-GFCCVEGCSA-N -1 0 344.298 2.491 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NC[C@H]2CN(C3CC3)C(=O)O2)c([N+](=O)[O-])c1 ZINC001601881542 1350389528 /nfs/dbraw/zinc/38/95/28/1350389528.db2.gz CXJVIJKKWHWCRV-DWMUBGRBSA-N -1 0 347.327 2.088 20 5 EEBDRM O=C([O-])C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC001601895002 1350391822 /nfs/dbraw/zinc/39/18/22/1350391822.db2.gz UEQWUYZEJRSFTF-SNVBAGLBSA-N -1 0 326.736 2.479 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccncc1 ZINC001601899432 1350392811 /nfs/dbraw/zinc/39/28/11/1350392811.db2.gz DOBRGQAPZKZYKF-CYBMUJFWSA-N -1 0 347.302 2.004 20 5 EEBDRM O=C([O-])CCCONC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001601995163 1350413344 /nfs/dbraw/zinc/41/33/44/1350413344.db2.gz PYEPJIGFPMOPPC-UHFFFAOYSA-N -1 0 336.222 2.140 20 5 EEBDRM O=C([O-])Cc1ccc(Sc2nc(CO)cs2)c([N+](=O)[O-])c1 ZINC001602133257 1350446510 /nfs/dbraw/zinc/44/65/10/1350446510.db2.gz WFKIDMVIZGUNMZ-UHFFFAOYSA-N -1 0 326.355 2.322 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](c2nnc[nH]2)C1 ZINC001602298824 1350488378 /nfs/dbraw/zinc/48/83/78/1350488378.db2.gz GTBGHKDYZIGTCS-SSDOTTSWSA-N -1 0 337.723 2.058 20 5 EEBDRM CC(C)(NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C1CCC1 ZINC001603686627 1350742695 /nfs/dbraw/zinc/74/26/95/1350742695.db2.gz WFPUDRCFTVHZCP-UHFFFAOYSA-N -1 0 342.373 2.150 20 5 EEBDRM CC(C)CN(CC(=O)[O-])C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001603803316 1350771235 /nfs/dbraw/zinc/77/12/35/1350771235.db2.gz WFKMQVCNEIQBPP-SNVBAGLBSA-N -1 0 326.324 2.407 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604315275 1350913715 /nfs/dbraw/zinc/91/37/15/1350913715.db2.gz VACQTGVJWACYES-AAXDQBDMSA-N -1 0 347.371 2.398 20 5 EEBDRM C[C@@H](OC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)[O-])o1 ZINC001604394483 1350928556 /nfs/dbraw/zinc/92/85/56/1350928556.db2.gz YJURQSLPKWRGQK-OQPBUACISA-N -1 0 335.268 2.224 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001604449768 1350940373 /nfs/dbraw/zinc/94/03/73/1350940373.db2.gz GBGQDGFQAKEYPT-KPPDAEKUSA-N -1 0 338.385 2.445 20 5 EEBDRM C[C@@H]1CCC[C@@H](C)N1C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604716446 1350990784 /nfs/dbraw/zinc/99/07/84/1350990784.db2.gz IFKCEKBFLNPUBA-GHMZBOCLSA-N -1 0 336.344 2.461 20 5 EEBDRM CC[C@@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C1CC1 ZINC001604913566 1351031180 /nfs/dbraw/zinc/03/11/80/1351031180.db2.gz CJSLUXYQACLEKT-CQSZACIVSA-N -1 0 342.373 2.150 20 5 EEBDRM CCCc1n[nH]cc1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605364607 1351145395 /nfs/dbraw/zinc/14/53/95/1351145395.db2.gz QKYRESNSJBVCNP-UHFFFAOYSA-N -1 0 333.300 2.326 20 5 EEBDRM COC(=O)CCN(CC(C)C)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001606455494 1351306079 /nfs/dbraw/zinc/30/60/79/1351306079.db2.gz VBEJAXLXIBTHGY-UHFFFAOYSA-N -1 0 339.348 2.022 20 5 EEBDRM COc1ccc(CCC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001607246515 1351458149 /nfs/dbraw/zinc/45/81/49/1351458149.db2.gz FORGJPFVFDYOFO-UHFFFAOYSA-N -1 0 346.295 2.235 20 5 EEBDRM COc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001607258627 1351460045 /nfs/dbraw/zinc/46/00/45/1351460045.db2.gz RUWWBRDLUMMQFN-UHFFFAOYSA-N -1 0 346.299 2.018 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC001607291880 1351466216 /nfs/dbraw/zinc/46/62/16/1351466216.db2.gz MRJSLEZZLBDCFA-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM CSCC[C@@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)[O-] ZINC001607398417 1351487484 /nfs/dbraw/zinc/48/74/84/1351487484.db2.gz HVLCUXXUEIGBQB-LLVKDONJSA-N -1 0 338.341 2.439 20 5 EEBDRM C[Si](C)(C)c1ccc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)cc1 ZINC001607482127 1351501002 /nfs/dbraw/zinc/50/10/02/1351501002.db2.gz MJCBQWWZKBOQNO-UHFFFAOYSA-N -1 0 346.415 2.048 20 5 EEBDRM Cc1noc([C@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C(C)C)n1 ZINC001608024266 1351609120 /nfs/dbraw/zinc/60/91/20/1351609120.db2.gz QNQQSLQHGGWSTK-CYBMUJFWSA-N -1 0 334.332 2.471 20 5 EEBDRM Cc1oc(COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1C(=O)[O-] ZINC001608052142 1351615404 /nfs/dbraw/zinc/61/54/04/1351615404.db2.gz CBDHDHNWVSVBSF-UHFFFAOYSA-N -1 0 349.251 2.280 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001608086866 1351622193 /nfs/dbraw/zinc/62/21/93/1351622193.db2.gz UGVXIZISRPICQQ-LBPRGKRZSA-N -1 0 346.343 2.327 20 5 EEBDRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001608400728 1351687609 /nfs/dbraw/zinc/68/76/09/1351687609.db2.gz HQCACPJAKGEYPT-ZDUSSCGKSA-N -1 0 349.730 2.069 20 5 EEBDRM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NOCc1cccnc1 ZINC000781709786 1371246550 /nfs/dbraw/zinc/24/65/50/1371246550.db2.gz WCYWITNPPBLLNN-UHFFFAOYSA-N -1 0 346.299 2.079 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000798225084 1371574585 /nfs/dbraw/zinc/57/45/85/1371574585.db2.gz YVQVCFNNRJVGNL-UHFFFAOYSA-N -1 0 345.739 2.261 20 5 EEBDRM O=C(NC1CCC(O)(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001116419085 1371726102 /nfs/dbraw/zinc/72/61/02/1371726102.db2.gz VYHKBARPXLQOCT-UHFFFAOYSA-N -1 0 348.277 2.266 20 5 EEBDRM C[C@@]1(CO)CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001118281045 1371780601 /nfs/dbraw/zinc/78/06/01/1371780601.db2.gz UYTYUCULHYVZPW-CQSZACIVSA-N -1 0 328.752 2.188 20 5 EEBDRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000920321789 770675487 /nfs/dbraw/zinc/67/54/87/770675487.db2.gz BSYZRSDPDYHMQN-PKNBQFBNSA-N -1 0 326.374 2.287 20 5 EEBDRM O=[N+]([O-])c1ncccc1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167937095 781009035 /nfs/dbraw/zinc/00/90/35/781009035.db2.gz QWRGAYUSKZPFAT-UHFFFAOYSA-N -1 0 335.256 2.075 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nn1C ZINC000817353508 784692608 /nfs/dbraw/zinc/69/26/08/784692608.db2.gz VANVEWBEWXTWDU-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM C[C@@]1(C(=O)[O-])CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000910479480 786809872 /nfs/dbraw/zinc/80/98/72/786809872.db2.gz LAPAQFFCDFVBQJ-LBPRGKRZSA-N -1 0 334.250 2.294 20 5 EEBDRM O=C([N-]N1C(=O)c2ccccc2C1=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000912688768 788301871 /nfs/dbraw/zinc/30/18/71/788301871.db2.gz SPFKQRSHKZMCJV-UHFFFAOYSA-N -1 0 345.698 2.189 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000844219904 788909676 /nfs/dbraw/zinc/90/96/76/788909676.db2.gz XHZFQKXNSDZKFA-INIZCTEOSA-N -1 0 336.344 2.115 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000057119584 789552025 /nfs/dbraw/zinc/55/20/25/789552025.db2.gz NKTFVVPIIIKIGI-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])on1 ZINC000171083011 791246651 /nfs/dbraw/zinc/24/66/51/791246651.db2.gz WLTXOGYCEJNUHW-UHFFFAOYSA-N -1 0 331.737 2.023 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1[N-]c1nccnc1CN ZINC001171448356 796365462 /nfs/dbraw/zinc/36/54/62/796365462.db2.gz GDNWDIFBTJRKSO-UHFFFAOYSA-N -1 0 337.723 2.027 20 5 EEBDRM Cn1cnc2c1nc(Cl)nc2Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503829 797784858 /nfs/dbraw/zinc/78/48/58/797784858.db2.gz LAXBTSVNLRPQTE-UHFFFAOYSA-N -1 0 348.706 2.367 20 5 EEBDRM CNC(=O)Cc1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176680096 798526157 /nfs/dbraw/zinc/52/61/57/798526157.db2.gz PEPIPBOGOVGZGF-UHFFFAOYSA-N -1 0 329.312 2.325 20 5 EEBDRM Cc1[nH]nc(C(=O)N(C)CCCNc2ccc(C)cc2[N+](=O)[O-])c1[O-] ZINC001109413642 805426974 /nfs/dbraw/zinc/42/69/74/805426974.db2.gz ZSPDVBBJJSXMAP-UHFFFAOYSA-N -1 0 347.375 2.215 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788121105 807379699 /nfs/dbraw/zinc/37/96/99/807379699.db2.gz YPAJOSHTBFQPSD-VHSXEESVSA-N -1 0 344.751 2.100 20 5 EEBDRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1[N+](=O)[O-] ZINC000797755754 939209908 /nfs/dbraw/zinc/20/99/08/939209908.db2.gz OFTNBJZFFVNZHB-ZDUSSCGKSA-N -1 0 330.300 2.246 20 5 EEBDRM C[C@H](C(=O)[O-])c1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC001602825389 971642689 /nfs/dbraw/zinc/64/26/89/971642689.db2.gz UUNLXDASIRDNMN-YFKPBYRVSA-N -1 0 329.215 2.434 20 5 EEBDRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC001595002238 951145563 /nfs/dbraw/zinc/14/55/63/951145563.db2.gz GCSXCMDFEUUIIG-TZMCWYRMSA-N -1 0 348.355 2.144 20 5 EEBDRM C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)[O-] ZINC001589325063 953894494 /nfs/dbraw/zinc/89/44/94/953894494.db2.gz GPSALAPSOQCNIC-HPEDKQMDSA-N -1 0 332.356 2.410 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001589343322 954029856 /nfs/dbraw/zinc/02/98/56/954029856.db2.gz DEKNWBCPHWZPSG-WDMOLILDSA-N -1 0 335.360 2.408 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001589436169 954689199 /nfs/dbraw/zinc/68/91/99/954689199.db2.gz ZBQMFDYEKHQLLU-MRVPVSSYSA-N -1 0 345.149 2.293 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(CC(=O)[O-])cc2)n1 ZINC001593887263 955760638 /nfs/dbraw/zinc/76/06/38/955760638.db2.gz PCKKWWXFIIOZDD-UHFFFAOYSA-N -1 0 332.268 2.196 20 5 EEBDRM Nc1c(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc(Cl)c(F)c1[N+](=O)[O-] ZINC001594658853 956514204 /nfs/dbraw/zinc/51/42/04/956514204.db2.gz CODMHGXNOZJDNJ-MRVPVSSYSA-N -1 0 345.714 2.049 20 5 EEBDRM Cc1cc(COC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001594306528 957973249 /nfs/dbraw/zinc/97/32/49/957973249.db2.gz LSSUVMLGEXHCAK-STQMWFEESA-N -1 0 337.328 2.216 20 5 EEBDRM Cc1cc(COC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001594306521 957973283 /nfs/dbraw/zinc/97/32/83/957973283.db2.gz LSSUVMLGEXHCAK-CHWSQXEVSA-N -1 0 337.328 2.216 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](C(=O)[O-])C(C)C)c2c1 ZINC001594116942 958555055 /nfs/dbraw/zinc/55/50/55/958555055.db2.gz GCJPQLGEUMMZJH-GFCCVEGCSA-N -1 0 333.344 2.342 20 5 EEBDRM COc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001594121953 958602956 /nfs/dbraw/zinc/60/29/56/958602956.db2.gz LQRMHALKDPCACH-ZDUSSCGKSA-N -1 0 330.296 2.159 20 5 EEBDRM Cc1cccc([C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594398288 958798173 /nfs/dbraw/zinc/79/81/73/958798173.db2.gz UHBVOSDYMMTAGG-INIZCTEOSA-N -1 0 328.324 2.388 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](C)C(=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC001594266762 959746518 /nfs/dbraw/zinc/74/65/18/959746518.db2.gz QDDOFVWFOBXUNE-LURJTMIESA-N -1 0 346.137 2.260 20 5 EEBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001588653894 960404415 /nfs/dbraw/zinc/40/44/15/960404415.db2.gz DVEPBTROVSTBMK-UHFFFAOYSA-N -1 0 343.767 2.403 20 5 EEBDRM CN(CCC(C)(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001261457918 960731043 /nfs/dbraw/zinc/73/10/43/960731043.db2.gz DIVLXAJTSDAHOB-UHFFFAOYSA-N -1 0 344.389 2.350 20 5 EEBDRM O=C([O-])c1c(NC(=O)Cc2ccccc2[N+](=O)[O-])nc2ccccn21 ZINC001574537627 961922263 /nfs/dbraw/zinc/92/22/63/961922263.db2.gz DPIGIRJKFSTIQG-UHFFFAOYSA-N -1 0 340.295 2.122 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001574038221 962066186 /nfs/dbraw/zinc/06/61/86/962066186.db2.gz ONCQUNHIGVPURM-UHFFFAOYSA-N -1 0 331.284 2.293 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001343710153 962167386 /nfs/dbraw/zinc/16/73/86/962167386.db2.gz DTLICLMVXCHLGR-UHFFFAOYSA-N -1 0 335.360 2.401 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC001574732652 962853448 /nfs/dbraw/zinc/85/34/48/962853448.db2.gz ULZNSHOIXGMROY-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM C[C@@H](C(=O)[O-])c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC001609718200 970496348 /nfs/dbraw/zinc/49/63/48/970496348.db2.gz MYSGYRLMBXOEOX-MRVPVSSYSA-N -1 0 329.272 2.019 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001606407808 973859490 /nfs/dbraw/zinc/85/94/90/973859490.db2.gz TYWWHEVLGLQTAX-GHMZBOCLSA-N -1 0 346.261 2.341 20 5 EEBDRM C[C@H](CC(N)=O)c1ccc(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001592451190 978133279 /nfs/dbraw/zinc/13/32/79/978133279.db2.gz ALCDWRDFJOSIIE-SECBINFHSA-N -1 0 344.327 2.411 20 5 EEBDRM Cc1[nH]c(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(C)c1C(=O)[O-] ZINC000833740199 979234734 /nfs/dbraw/zinc/23/47/34/979234734.db2.gz OZYXLKOHMPSSOW-UHFFFAOYSA-N -1 0 343.339 2.436 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)C[C@@H]21 ZINC000849349433 979499980 /nfs/dbraw/zinc/49/99/80/979499980.db2.gz YOYMSILYODEXQO-PJXYFTJBSA-N -1 0 331.353 2.485 20 5 EEBDRM CC[C@H](CN1CCOCC1)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001595131005 979546604 /nfs/dbraw/zinc/54/66/04/979546604.db2.gz HFUGLAZCPUVNJQ-GFCCVEGCSA-N -1 0 337.376 2.124 20 5 EEBDRM O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC000864209145 979892160 /nfs/dbraw/zinc/89/21/60/979892160.db2.gz WXFBMSDFWPLSHQ-ZUCKAHLUSA-N -1 0 347.371 2.156 20 5 EEBDRM O=C([O-])c1cccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000902141903 980753735 /nfs/dbraw/zinc/75/37/35/980753735.db2.gz CIXAYJCJXAFIEC-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM CC[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@H]1C ZINC001595464415 981149596 /nfs/dbraw/zinc/14/95/96/981149596.db2.gz MYUOJPRXUNOKGU-UWVGGRQHSA-N -1 0 342.373 2.102 20 5 EEBDRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001595832498 982727438 /nfs/dbraw/zinc/72/74/38/982727438.db2.gz HDCGGSGUSWILJH-NSHDSACASA-N -1 0 344.389 2.085 20 5 EEBDRM CCc1[nH]ccc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597398346 987650926 /nfs/dbraw/zinc/65/09/26/987650926.db2.gz IBUFWLZMUOVXOM-MRXNPFEDSA-N -1 0 331.328 2.215 20 5 EEBDRM CCc1cc(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(C)nn1 ZINC001597469784 987916595 /nfs/dbraw/zinc/91/65/95/987916595.db2.gz GKEPLXKPHBLJNF-UHFFFAOYSA-N -1 0 345.311 2.311 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001599877289 989436318 /nfs/dbraw/zinc/43/63/18/989436318.db2.gz OBARJLWXULHXNQ-GHMZBOCLSA-N -1 0 338.385 2.399 20 5 EEBDRM CC(C)(C)c1nnc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC001590565355 990200557 /nfs/dbraw/zinc/20/05/57/990200557.db2.gz FJKPSIWUHRIZHJ-UHFFFAOYSA-N -1 0 349.299 2.331 20 5 EEBDRM COc1ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599595121 993739575 /nfs/dbraw/zinc/73/95/75/993739575.db2.gz FIDRIBXZXHMFSW-SNVBAGLBSA-N -1 0 339.348 2.472 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@@H](C(=O)[O-])[C@@H]3C)c2c1 ZINC001599637937 994316339 /nfs/dbraw/zinc/31/63/39/994316339.db2.gz NCHPSHXEVUDDRH-GXSJLCMTSA-N -1 0 331.328 2.451 20 5 EEBDRM CC(C)(C)n1cc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)nn1 ZINC001593310037 994770625 /nfs/dbraw/zinc/77/06/25/994770625.db2.gz FPTTXBKCAHNBBB-INIZCTEOSA-N -1 0 347.375 2.031 20 5 EEBDRM C[C@H](OC(=O)c1occc1C(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001593601385 995757207 /nfs/dbraw/zinc/75/72/07/995757207.db2.gz NLGKOHDXAZEPLK-QMMMGPOBSA-N -1 0 348.267 2.070 20 5 EEBDRM CO[C@@]1(C(F)(F)F)CCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001599086418 997106070 /nfs/dbraw/zinc/10/60/70/997106070.db2.gz JHTQSXSKFAGPKP-LBPRGKRZSA-N -1 0 349.265 2.154 20 5 EEBDRM CO[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@](C)(C(=O)[O-])C1 ZINC001599129206 997909919 /nfs/dbraw/zinc/90/99/19/997909919.db2.gz FCCQKEUJLMRKIW-MEDUHNTESA-N -1 0 348.311 2.045 20 5 EEBDRM CC1=C(C(=O)[O-])[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)N(C)C(=O)N1C ZINC001594095490 998066423 /nfs/dbraw/zinc/06/64/23/998066423.db2.gz RBZWQSRRHCYPSB-GFCCVEGCSA-N -1 0 341.270 2.270 20 5 EEBDRM COc1ccc(CCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1O ZINC001599555921 998090063 /nfs/dbraw/zinc/09/00/63/998090063.db2.gz LGMPVDRBXXGQPE-UHFFFAOYSA-N -1 0 333.300 2.057 20 5 EEBDRM COC(=O)c1ccc(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001598971325 998519728 /nfs/dbraw/zinc/51/97/28/998519728.db2.gz BGFAUVABUWHBJF-UHFFFAOYSA-N -1 0 345.311 2.129 20 5 EEBDRM CO[C@@H](CC(C)C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599044889 999144008 /nfs/dbraw/zinc/14/40/08/999144008.db2.gz FYLODNXKIZYEKK-XJKSGUPXSA-N -1 0 338.360 2.072 20 5 EEBDRM CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CC[C@@H](CF)C1 ZINC001520813482 1119195448 /nfs/dbraw/zinc/19/54/48/1119195448.db2.gz GIKVPXMHWRWNPD-JTQLQIEISA-N -1 0 335.339 2.375 20 5 EEBDRM CCc1nn(C)c(CC)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000189795323 529765314 /nfs/dbraw/zinc/76/53/14/529765314.db2.gz BGJSKHUAPBMZTM-UHFFFAOYSA-N -1 0 332.360 2.340 20 5 EEBDRM CCc1nn(C)c(CC)c1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000153120844 529766332 /nfs/dbraw/zinc/76/63/32/529766332.db2.gz KMMJJJQTYZFDBE-UHFFFAOYSA-N -1 0 332.360 2.089 20 5 EEBDRM CC(C)[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262908290 535079121 /nfs/dbraw/zinc/07/91/21/535079121.db2.gz ROFUOMCLLXRLAS-ZDUSSCGKSA-N -1 0 344.751 2.243 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000013036279 299246354 /nfs/dbraw/zinc/24/63/54/299246354.db2.gz SGFOFDGHIUFTJX-TUAOUCFPSA-N -1 0 349.387 2.280 20 5 EEBDRM Cc1nc2ccccc2n1CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073068788 216346318 /nfs/dbraw/zinc/34/63/18/216346318.db2.gz PYLHVQKMRFHHTI-UHFFFAOYSA-N -1 0 340.339 2.389 20 5 EEBDRM COc1cc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc([N+](=O)[O-])c1C ZINC000263193019 245355977 /nfs/dbraw/zinc/35/59/77/245355977.db2.gz TWCGVYHVYKLCCJ-GFCCVEGCSA-N -1 0 348.355 2.239 20 5 EEBDRM COC(=O)N(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000491377864 246011583 /nfs/dbraw/zinc/01/15/83/246011583.db2.gz FVGWOGOYTFJSRD-UHFFFAOYSA-N -1 0 332.316 2.373 20 5 EEBDRM O=C(NCc1nc2cc(F)ccc2[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164824915 255810970 /nfs/dbraw/zinc/81/09/70/255810970.db2.gz HXIMHJNTIKALPU-UHFFFAOYSA-N -1 0 330.275 2.246 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000190848507 256002694 /nfs/dbraw/zinc/00/26/94/256002694.db2.gz ASKCKUVWLSCPAJ-BMIGLBTASA-N -1 0 343.339 2.490 20 5 EEBDRM CC(C)(C)CS(=O)(=O)[N-]C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000112762872 292228364 /nfs/dbraw/zinc/22/83/64/292228364.db2.gz DJJSBZOSUWMDBR-BQYQJAHWSA-N -1 0 326.374 2.100 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000262833538 152325124 /nfs/dbraw/zinc/32/51/24/152325124.db2.gz GBTHZOMNBZLXNZ-TVYUQYBPSA-N -1 0 338.385 2.445 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263078304 152370112 /nfs/dbraw/zinc/37/01/12/152370112.db2.gz BCBUDMPCFZLNNO-STQMWFEESA-N -1 0 349.387 2.499 20 5 EEBDRM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c1C ZINC000355886904 153187253 /nfs/dbraw/zinc/18/72/53/153187253.db2.gz ZVLWSRPBASPJBP-UHFFFAOYSA-N -1 0 342.352 2.368 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2O)ccc1[N+](=O)[O-] ZINC000356033769 153254237 /nfs/dbraw/zinc/25/42/37/153254237.db2.gz FOYRCIWYKWKGIB-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C(CC1CCCCC1)NCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000129273958 292355607 /nfs/dbraw/zinc/35/56/07/292355607.db2.gz GGIUXHQAZFVKOH-UHFFFAOYSA-N -1 0 349.387 2.117 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2O)cc1[N+](=O)[O-] ZINC000320216883 160535932 /nfs/dbraw/zinc/53/59/32/160535932.db2.gz SPWCNUALCFMJCC-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncccn2)c(C(F)(F)F)c1 ZINC000185640881 160044065 /nfs/dbraw/zinc/04/40/65/160044065.db2.gz KMIAAKYXPGJAFT-UHFFFAOYSA-N -1 0 348.262 2.204 20 5 EEBDRM NC(=O)c1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000186049638 160057281 /nfs/dbraw/zinc/05/72/81/160057281.db2.gz RGIYVULXSXAHRB-UHFFFAOYSA-N -1 0 335.703 2.305 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237956146 160226369 /nfs/dbraw/zinc/22/63/69/160226369.db2.gz YSSMPOYUPCKQEX-MRXNPFEDSA-N -1 0 342.351 2.340 20 5 EEBDRM COC(=O)c1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]1 ZINC000345337877 161293383 /nfs/dbraw/zinc/29/33/83/161293383.db2.gz RFIDWTIJVJXQPX-UHFFFAOYSA-N -1 0 339.691 2.321 20 5 EEBDRM Cc1cc(NCc2n[nH]c(=O)[n-]2)c(Br)cc1[N+](=O)[O-] ZINC000352354425 162100985 /nfs/dbraw/zinc/10/09/85/162100985.db2.gz AGURLOQTPFZORC-UHFFFAOYSA-N -1 0 328.126 2.102 20 5 EEBDRM O=C(Cn1cc(Cl)cn1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000355583439 163239285 /nfs/dbraw/zinc/23/92/85/163239285.db2.gz KXKZLDDKBHTWDA-UHFFFAOYSA-N -1 0 331.115 2.442 20 5 EEBDRM O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356299307 163396712 /nfs/dbraw/zinc/39/67/12/163396712.db2.gz ULROFMFDZQNYFV-CQSZACIVSA-N -1 0 343.295 2.029 20 5 EEBDRM CCCOc1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cc1 ZINC000359410838 164128836 /nfs/dbraw/zinc/12/88/36/164128836.db2.gz MRFWYASJTXTYMD-UHFFFAOYSA-N -1 0 337.357 2.001 20 5 EEBDRM Cn1nccc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000374864997 167054587 /nfs/dbraw/zinc/05/45/87/167054587.db2.gz ULSLYBAVCZBRGR-NSHDSACASA-N -1 0 330.344 2.054 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccnn2)c(C(F)(F)F)c1 ZINC000191040156 268592342 /nfs/dbraw/zinc/59/23/42/268592342.db2.gz OVVISZXLQJYKOD-UHFFFAOYSA-N -1 0 348.262 2.204 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])nc2)cc1[N+](=O)[O-] ZINC000237598301 268658597 /nfs/dbraw/zinc/65/85/97/268658597.db2.gz NXVVGTGEJPHLOA-JTQLQIEISA-N -1 0 329.312 2.487 20 5 EEBDRM C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272114308 268909146 /nfs/dbraw/zinc/90/91/46/268909146.db2.gz PDECCYQBMKBMAM-WCBMZHEXSA-N -1 0 344.751 2.476 20 5 EEBDRM COC(=O)CCCO[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000290799126 275241092 /nfs/dbraw/zinc/24/10/92/275241092.db2.gz XZWSZAYRVDAUGY-JTQLQIEISA-N -1 0 342.373 2.076 20 5 EEBDRM O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000290811642 275242286 /nfs/dbraw/zinc/24/22/86/275242286.db2.gz FHZAVEXFRMIFRD-KBXCAEBGSA-N -1 0 342.351 2.196 20 5 EEBDRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262992678 280104362 /nfs/dbraw/zinc/10/43/62/280104362.db2.gz OEOQNZSHIRSKGQ-MRXNPFEDSA-N -1 0 337.376 2.402 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC(C(=O)[O-])CC1 ZINC000263528139 295277154 /nfs/dbraw/zinc/27/71/54/295277154.db2.gz VATHXSKLLLBQDE-UHFFFAOYSA-N -1 0 331.328 2.453 20 5 EEBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000237561079 297232526 /nfs/dbraw/zinc/23/25/26/297232526.db2.gz ZXSOIAPRENEULQ-VXGBXAGGSA-N -1 0 349.387 2.234 20 5 EEBDRM CCC[C@@](C)(NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000322283934 311598422 /nfs/dbraw/zinc/59/84/22/311598422.db2.gz OTQAHYAATMJOOV-CQSZACIVSA-N -1 0 325.321 2.368 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1[N+](=O)[O-] ZINC000414386939 313008438 /nfs/dbraw/zinc/00/84/38/313008438.db2.gz VPJUHQKDNSVRDY-UHFFFAOYSA-N -1 0 339.329 2.270 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000416445683 313225586 /nfs/dbraw/zinc/22/55/86/313225586.db2.gz MKEFZZSHRRZXHA-KGLIPLIRSA-N -1 0 335.360 2.025 20 5 EEBDRM COCC1CCC([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000416594333 313268378 /nfs/dbraw/zinc/26/83/78/313268378.db2.gz OTOHDNWJGAZLFO-UHFFFAOYSA-N -1 0 346.380 2.217 20 5 EEBDRM CCC(=O)c1ccc([O-])c(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000436652260 314984510 /nfs/dbraw/zinc/98/45/10/314984510.db2.gz LJQOFEHJPCMJDS-UHFFFAOYSA-N -1 0 332.316 2.118 20 5 EEBDRM O=C(NCCc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436703224 314989836 /nfs/dbraw/zinc/98/98/36/314989836.db2.gz HUCPOBJTQHLSJM-UHFFFAOYSA-N -1 0 326.312 2.149 20 5 EEBDRM CCOC(=O)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436856184 315006726 /nfs/dbraw/zinc/00/67/26/315006726.db2.gz LDHVWECWPOMBOH-UHFFFAOYSA-N -1 0 336.344 2.152 20 5 EEBDRM COC(=O)c1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436858083 315006815 /nfs/dbraw/zinc/00/68/15/315006815.db2.gz DFIUNDFGBDVDRT-UHFFFAOYSA-N -1 0 344.323 2.359 20 5 EEBDRM COC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966639 315017336 /nfs/dbraw/zinc/01/73/36/315017336.db2.gz OCQQLMSCTSPKEF-ZDUSSCGKSA-N -1 0 330.340 2.288 20 5 EEBDRM CC(C)(C(N)=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000437000269 315022123 /nfs/dbraw/zinc/02/21/23/315022123.db2.gz OWTWKWBXBZDMGU-UHFFFAOYSA-N -1 0 343.339 2.316 20 5 EEBDRM CCc1cccnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000443416187 315246669 /nfs/dbraw/zinc/24/66/69/315246669.db2.gz MTLNXDIBMICRCZ-UHFFFAOYSA-N -1 0 337.357 2.362 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000458307589 315696415 /nfs/dbraw/zinc/69/64/15/315696415.db2.gz HHJGSJOJTLKTCP-JKSUJKDBSA-N -1 0 334.372 2.314 20 5 EEBDRM COC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000495695023 316058717 /nfs/dbraw/zinc/05/87/17/316058717.db2.gz JNHIBSIZSWBFJE-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM COc1cccc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1OC ZINC000548122053 318356935 /nfs/dbraw/zinc/35/69/35/318356935.db2.gz YKXXEPRJMDMFMX-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000548453381 318389902 /nfs/dbraw/zinc/38/99/02/318389902.db2.gz MJJFJJMEEVNWRJ-LBPRGKRZSA-N -1 0 330.340 2.324 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-] ZINC000548543638 318395389 /nfs/dbraw/zinc/39/53/89/318395389.db2.gz WLNVTDWYBKYSAD-NSHDSACASA-N -1 0 344.389 2.084 20 5 EEBDRM COc1cc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1O ZINC000562496096 318888542 /nfs/dbraw/zinc/88/85/42/318888542.db2.gz USUTVDYOMBHBTJ-UHFFFAOYSA-N -1 0 348.311 2.204 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000563536594 319020631 /nfs/dbraw/zinc/02/06/31/319020631.db2.gz BSVRDBIXKHKTNY-HDJSIYSDSA-N -1 0 334.372 2.487 20 5 EEBDRM O=C([O-])c1cnc(N2CCC(Oc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000563626485 319032148 /nfs/dbraw/zinc/03/21/48/319032148.db2.gz YEIZESQUEYUKSR-UHFFFAOYSA-N -1 0 344.327 2.131 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000565041493 319142871 /nfs/dbraw/zinc/14/28/71/319142871.db2.gz TWRYNYUIFZCCMO-KRWDZBQOSA-N -1 0 345.355 2.461 20 5 EEBDRM CC(C)Oc1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cn1 ZINC000566916896 319332661 /nfs/dbraw/zinc/33/26/61/319332661.db2.gz DCZAGQGPVFKRQV-UHFFFAOYSA-N -1 0 332.316 2.482 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@]2(CO)C[C@@H]2c2ccccc2)n1 ZINC000567475742 319383286 /nfs/dbraw/zinc/38/32/86/319383286.db2.gz VTDDXEWWDMGMNB-PXAZEXFGSA-N -1 0 343.339 2.266 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCOC2(CCC2)C1 ZINC000571168150 319732029 /nfs/dbraw/zinc/73/20/29/319732029.db2.gz JEEXKWLGKZXGEP-UHFFFAOYSA-N -1 0 326.736 2.349 20 5 EEBDRM O=C([O-])c1ccnc(N2C[C@@H](O)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000576351415 320164277 /nfs/dbraw/zinc/16/42/77/320164277.db2.gz XQCRLONHWQNUKF-WCQYABFASA-N -1 0 329.312 2.000 20 5 EEBDRM CC(C)(C)c1nc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000576399501 320168186 /nfs/dbraw/zinc/16/81/86/320168186.db2.gz NCLFVEQCSHQLEL-UHFFFAOYSA-N -1 0 326.334 2.076 20 5 EEBDRM C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC000580428533 324060997 /nfs/dbraw/zinc/06/09/97/324060997.db2.gz QVXFAZJJBQTZIS-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM O=C([O-])CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000583601618 324694525 /nfs/dbraw/zinc/69/45/25/324694525.db2.gz NOVJGZMTNNYXCH-ZDUSSCGKSA-N -1 0 329.312 2.326 20 5 EEBDRM O=C([O-])c1ccc(F)c(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000336877107 465070328 /nfs/dbraw/zinc/07/03/28/465070328.db2.gz XGUZNYAUFNJCAS-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000337180059 465231405 /nfs/dbraw/zinc/23/14/05/465231405.db2.gz LWTWHJDHTSLVHY-GFCCVEGCSA-N -1 0 344.389 2.304 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590598218 468283292 /nfs/dbraw/zinc/28/32/92/468283292.db2.gz PAEKSVYZDGSQGW-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCc1cccc(F)c1 ZINC000128565244 462653327 /nfs/dbraw/zinc/65/33/27/462653327.db2.gz DPFXUZGZWAMAJL-UHFFFAOYSA-N -1 0 342.323 2.394 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCN(c2nccs2)CC1 ZINC000064750881 462719160 /nfs/dbraw/zinc/71/91/60/462719160.db2.gz BUEKTUHNFIWIHD-UHFFFAOYSA-N -1 0 348.384 2.109 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)n1 ZINC000116602934 462766447 /nfs/dbraw/zinc/76/64/47/462766447.db2.gz LPKZPTUZSXVBID-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC000579188443 468320748 /nfs/dbraw/zinc/32/07/48/468320748.db2.gz BKKSRKDEYXCKJL-ZDUSSCGKSA-N -1 0 331.284 2.248 20 5 EEBDRM O=C(Nc1nncn1Cc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000118941941 462862458 /nfs/dbraw/zinc/86/24/58/462862458.db2.gz YMHNFGINVJXKHV-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000156661940 463054097 /nfs/dbraw/zinc/05/40/97/463054097.db2.gz IPPNTCAYVZTLQC-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM Cc1cc(NC[C@H](CO)c2cccnc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568517474 468350014 /nfs/dbraw/zinc/35/00/14/468350014.db2.gz NNRUUPXGNCDAKA-GFCCVEGCSA-N -1 0 331.328 2.184 20 5 EEBDRM CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000030530196 463302411 /nfs/dbraw/zinc/30/24/11/463302411.db2.gz QRPMWJSQTWHCLE-UHFFFAOYSA-N -1 0 349.368 2.064 20 5 EEBDRM Cn1cnnc1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000030693138 463309438 /nfs/dbraw/zinc/30/94/38/463309438.db2.gz USTZRIUKVXUKFJ-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1n1ccnc1 ZINC000160965375 463386084 /nfs/dbraw/zinc/38/60/84/463386084.db2.gz YVNJDIQSWQFXKO-BXUZGUMPSA-N -1 0 330.344 2.220 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000041017534 463465931 /nfs/dbraw/zinc/46/59/31/463465931.db2.gz MMZNUUIFRYPRRM-UHFFFAOYSA-N -1 0 326.359 2.125 20 5 EEBDRM O=C(NCc1ccc(-n2cccn2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164216254 463618186 /nfs/dbraw/zinc/61/81/86/463618186.db2.gz PEHXQWXMESBEDS-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cn1 ZINC000194819940 463935817 /nfs/dbraw/zinc/93/58/17/463935817.db2.gz WTJDQFDYGWOIMB-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000287676502 463965237 /nfs/dbraw/zinc/96/52/37/463965237.db2.gz CGMLXFGOYXOLLF-ZDUSSCGKSA-N -1 0 348.277 2.220 20 5 EEBDRM CCC[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000262316735 464001187 /nfs/dbraw/zinc/00/11/87/464001187.db2.gz ZUJIWBFFQSVBEF-LLVKDONJSA-N -1 0 346.343 2.011 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263095878 464057639 /nfs/dbraw/zinc/05/76/39/464057639.db2.gz JKABQMXTNMDBNL-VHSXEESVSA-N -1 0 337.332 2.178 20 5 EEBDRM C/C=C/C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000263264932 464074193 /nfs/dbraw/zinc/07/41/93/464074193.db2.gz KOGJXDLJPHCPMK-IBUXWKBASA-N -1 0 331.328 2.085 20 5 EEBDRM CN(CCC1CCOCC1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000263527664 464124396 /nfs/dbraw/zinc/12/43/96/464124396.db2.gz KVWXPJWJNWGAOQ-UHFFFAOYSA-N -1 0 336.344 2.182 20 5 EEBDRM O=C([O-])c1csc(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000173654025 464301374 /nfs/dbraw/zinc/30/13/74/464301374.db2.gz INAPOTVLRKDRCV-AATRIKPKSA-N -1 0 333.325 2.079 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1[N+](=O)[O-] ZINC000361609118 466141060 /nfs/dbraw/zinc/14/10/60/466141060.db2.gz WUCVUBIXCKTLEV-UHFFFAOYSA-N -1 0 335.341 2.129 20 5 EEBDRM COc1cc(CNc2ccc(C(F)(F)F)nn2)cc([N+](=O)[O-])c1[O-] ZINC000340559002 466171026 /nfs/dbraw/zinc/17/10/26/466171026.db2.gz CZDRTQYUSPAXMH-UHFFFAOYSA-N -1 0 344.249 2.730 20 5 EEBDRM COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1O ZINC000358011326 466387020 /nfs/dbraw/zinc/38/70/20/466387020.db2.gz RRQFFCWHTQGNKZ-UHFFFAOYSA-N -1 0 334.284 2.276 20 5 EEBDRM CCC(CC)(NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000322678004 466634416 /nfs/dbraw/zinc/63/44/16/466634416.db2.gz JBAKYPMFHAPXQV-UHFFFAOYSA-N -1 0 325.321 2.368 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2cc(Cl)c([O-])cc2F)c1[N+](=O)[O-] ZINC000436769282 467554006 /nfs/dbraw/zinc/55/40/06/467554006.db2.gz HMPLNEQIANOVPN-UHFFFAOYSA-N -1 0 328.687 2.387 20 5 EEBDRM C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)OC(C)(C)C ZINC000458398979 467824762 /nfs/dbraw/zinc/82/47/62/467824762.db2.gz SVKWKKKWTMKCJY-SNVBAGLBSA-N -1 0 338.360 2.350 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493145512 467849418 /nfs/dbraw/zinc/84/94/18/467849418.db2.gz DKRVGOCURZOEBO-NBUZRDOWSA-N -1 0 336.319 2.460 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000514939066 467964294 /nfs/dbraw/zinc/96/42/94/467964294.db2.gz KCHUUFWLIGNCSE-UHFFFAOYSA-N -1 0 334.376 2.143 20 5 EEBDRM O=C([O-])Cn1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)nn1 ZINC000494475081 468060128 /nfs/dbraw/zinc/06/01/28/468060128.db2.gz LRYAHRSIAIRTDY-DAFODLJHSA-N -1 0 331.313 2.051 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCC2C[C@@H](C)O[C@H](C)C2)n1 ZINC000582363192 468530492 /nfs/dbraw/zinc/53/04/92/468530492.db2.gz MFJVMXDFRJBOKG-GHMZBOCLSA-N -1 0 337.376 3.002 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594460920 468595225 /nfs/dbraw/zinc/59/52/25/468595225.db2.gz BKOKJRXGLSXRCM-INTQDDNPSA-N -1 0 335.360 2.042 20 5 EEBDRM C[C@@H]1[C@H](C(F)(F)F)OCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000594733940 468668275 /nfs/dbraw/zinc/66/82/75/468668275.db2.gz KSRBWWGQUVXDQX-PRHODGIISA-N -1 0 348.277 2.445 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H](CCO)C1 ZINC000592777809 468783094 /nfs/dbraw/zinc/78/30/94/468783094.db2.gz YLLXVXBIWABCNO-VIFPVBQESA-N -1 0 328.752 2.188 20 5 EEBDRM CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595247644 468792796 /nfs/dbraw/zinc/79/27/96/468792796.db2.gz KJMUZWFXKVMTHH-VDISTLRHSA-N -1 0 335.360 2.109 20 5 EEBDRM CCOc1cc(N2CCSC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000584294177 468839276 /nfs/dbraw/zinc/83/92/76/468839276.db2.gz HDUJRHVQHLEBLD-SNVBAGLBSA-N -1 0 326.374 2.248 20 5 EEBDRM CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598481772 468882091 /nfs/dbraw/zinc/88/20/91/468882091.db2.gz IEMANBFCGUGJTQ-XJKSGUPXSA-N -1 0 336.344 2.152 20 5 EEBDRM CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598481765 468882516 /nfs/dbraw/zinc/88/25/16/468882516.db2.gz IEMANBFCGUGJTQ-BBRMVZONSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000598660358 468949834 /nfs/dbraw/zinc/94/98/34/468949834.db2.gz PXWSWLUTSAJBJE-KGLIPLIRSA-N -1 0 345.355 2.309 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000610874958 469099744 /nfs/dbraw/zinc/09/97/44/469099744.db2.gz FJPIFXALYXWYDA-MRVPVSSYSA-N -1 0 342.311 2.373 20 5 EEBDRM Cc1cc(N2CCO[C@](C)(C(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000596026592 469121345 /nfs/dbraw/zinc/12/13/45/469121345.db2.gz QSCISLMRIWPRPV-AWEZNQCLSA-N -1 0 330.287 2.462 20 5 EEBDRM C[C@@H]1CCC[C@]1(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563194560 469194174 /nfs/dbraw/zinc/19/41/74/469194174.db2.gz MWZPJGBJZMWZNE-CLAHSXSESA-N -1 0 328.752 2.235 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1F ZINC000611567654 469281410 /nfs/dbraw/zinc/28/14/10/469281410.db2.gz AKSNAQBCVJPSHQ-CQSZACIVSA-N -1 0 348.286 2.084 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1F ZINC000612428456 469462044 /nfs/dbraw/zinc/46/20/44/469462044.db2.gz GQIREJRHQXWWMB-CQSZACIVSA-N -1 0 348.286 2.084 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC000557511772 485561572 /nfs/dbraw/zinc/56/15/72/485561572.db2.gz ASFKQTRODYBXPZ-UHFFFAOYSA-N -1 0 328.328 2.240 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236992117 535970863 /nfs/dbraw/zinc/97/08/63/535970863.db2.gz NJGAXACFIMUFGU-XPTSAGLGSA-N -1 0 335.360 2.398 20 5 EEBDRM Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000734419883 577294831 /nfs/dbraw/zinc/29/48/31/577294831.db2.gz SYJOTQJABYDRLK-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1cc(F)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC000766815034 577525215 /nfs/dbraw/zinc/52/52/15/577525215.db2.gz FRWNZFZJYWUVTO-AWEZNQCLSA-N -1 0 346.314 2.468 20 5 EEBDRM O=C(O[C@H]1CCOC[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000767015967 577528940 /nfs/dbraw/zinc/52/89/40/577528940.db2.gz HOLWURMUVVGPOI-GJZGRUSLSA-N -1 0 346.339 2.454 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](F)c1ccccc1 ZINC000769277999 577573938 /nfs/dbraw/zinc/57/39/38/577573938.db2.gz ACLOZDSYKBTODA-CYBMUJFWSA-N -1 0 338.316 2.111 20 5 EEBDRM Cc1cc(Cl)c(S(=O)(=O)NC[C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000752251160 577767978 /nfs/dbraw/zinc/76/79/78/577767978.db2.gz NFBVRPKICBJUKI-CYBMUJFWSA-N -1 0 348.808 2.262 20 5 EEBDRM CCc1ccc(C(=O)[N-]S(=O)(=O)CCC(C)C)cc1[N+](=O)[O-] ZINC000747122250 577939605 /nfs/dbraw/zinc/93/96/05/577939605.db2.gz YXFNZJBYVMGKKL-UHFFFAOYSA-N -1 0 328.390 2.263 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)CC(C)C)c1 ZINC000749071603 577970770 /nfs/dbraw/zinc/97/07/70/577970770.db2.gz NYFSRXDRXRCUID-UHFFFAOYSA-N -1 0 332.403 2.032 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@]2(O)CCCc3ccccc32)c1[N+](=O)[O-] ZINC000738692758 578023959 /nfs/dbraw/zinc/02/39/59/578023959.db2.gz CFKYSEXDJZSDOV-KRWDZBQOSA-N -1 0 343.339 2.324 20 5 EEBDRM O=C([O-])c1cc(OCC(=O)NCC2CCCCC2)ccc1[N+](=O)[O-] ZINC000739328725 578048687 /nfs/dbraw/zinc/04/86/87/578048687.db2.gz MRYUYWMAQWMUCU-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM O=C([O-])N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000739386165 578051542 /nfs/dbraw/zinc/05/15/42/578051542.db2.gz BNPRYSHTRDQQFR-SECBINFHSA-N -1 0 327.724 2.120 20 5 EEBDRM O=C([O-])CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000739686927 578064349 /nfs/dbraw/zinc/06/43/49/578064349.db2.gz GJDHNVSQIFBUES-UHFFFAOYSA-N -1 0 333.300 2.419 20 5 EEBDRM O=C([O-])NCCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000739960403 578075562 /nfs/dbraw/zinc/07/55/62/578075562.db2.gz KCVSEEIXRBLORB-UHFFFAOYSA-N -1 0 333.247 2.183 20 5 EEBDRM CC1(CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000736738201 578221092 /nfs/dbraw/zinc/22/10/92/578221092.db2.gz GVQNOQVILOIXPO-UHFFFAOYSA-N -1 0 335.360 2.401 20 5 EEBDRM CC[C@](NC(=O)c1ccc([N+](=O)[O-])n1C)(C(=O)[O-])c1ccccc1 ZINC000736917203 578229496 /nfs/dbraw/zinc/22/94/96/578229496.db2.gz RVTFZSFCDYJWHE-MRXNPFEDSA-N -1 0 331.328 2.053 20 5 EEBDRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000737933938 578273590 /nfs/dbraw/zinc/27/35/90/578273590.db2.gz SBTBOLFHXLZELP-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000261802805 597500965 /nfs/dbraw/zinc/50/09/65/597500965.db2.gz LDZCQKBSWFJLTK-SNVBAGLBSA-N -1 0 347.352 2.265 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045622449 597710658 /nfs/dbraw/zinc/71/06/58/597710658.db2.gz NVYBYHRUQAMWIU-UHFFFAOYSA-N -1 0 345.149 2.293 20 5 EEBDRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000833177945 601080924 /nfs/dbraw/zinc/08/09/24/601080924.db2.gz CVPIXKPPFVWDDA-WCQYABFASA-N -1 0 335.360 2.419 20 5 EEBDRM CC[C@H](NC(=O)CCSCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000828933194 601325587 /nfs/dbraw/zinc/32/55/87/601325587.db2.gz WVSXZCKEVAJTFE-LBPRGKRZSA-N -1 0 326.374 2.370 20 5 EEBDRM CC[C@H](NC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000828944119 601549626 /nfs/dbraw/zinc/54/96/26/601549626.db2.gz XGDWXQDVPVZILM-SWHYSGLUSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C([O-])CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000238093040 601637043 /nfs/dbraw/zinc/63/70/43/601637043.db2.gz HWMWLEKWAHTDJK-UHFFFAOYSA-N -1 0 347.352 2.408 20 5 EEBDRM O=C([O-])COc1cccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000833260849 601866633 /nfs/dbraw/zinc/86/66/33/601866633.db2.gz GAYYXJNHRCPKMO-UHFFFAOYSA-N -1 0 348.286 2.127 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC000827097057 604834200 /nfs/dbraw/zinc/83/42/00/604834200.db2.gz AWANVSBKSRJHKS-LLVKDONJSA-N -1 0 346.343 2.387 20 5 EEBDRM CC(C)[C@H](OC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833474112 605082146 /nfs/dbraw/zinc/08/21/46/605082146.db2.gz WRNCNMSDLCUCCA-JTQLQIEISA-N -1 0 333.243 2.462 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCCCC(=O)[O-] ZINC000833539073 605279846 /nfs/dbraw/zinc/27/98/46/605279846.db2.gz KGFMFGWVSJVYDQ-MRVPVSSYSA-N -1 0 331.708 2.424 20 5 EEBDRM CC(C)(CC(=O)[O-])CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000833456783 605706622 /nfs/dbraw/zinc/70/66/22/605706622.db2.gz ZWSKIDLRXANHJI-UHFFFAOYSA-N -1 0 347.331 2.209 20 5 EEBDRM COC(=O)c1coc(-c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)c1 ZINC000904953858 694496311 /nfs/dbraw/zinc/49/63/11/694496311.db2.gz VBEAWYPKMIIAKM-UHFFFAOYSA-N -1 0 331.240 2.397 20 5 EEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](O)c1ccc(F)cc1 ZINC000119284278 1229482469 /nfs/dbraw/zinc/48/24/69/1229482469.db2.gz UABSSJDAQIWZJY-BJOHPYRUSA-N -1 0 334.303 2.291 20 5 EEBDRM CCC[C@H](C)[C@@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226650090 1301493616 /nfs/dbraw/zinc/49/36/16/1301493616.db2.gz PFLQCJREBFCVOP-DTWKUNHWSA-N -1 0 327.337 2.471 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCCC[C@@H]2OC)cc1[O-] ZINC001228814087 1302463048 /nfs/dbraw/zinc/46/30/48/1302463048.db2.gz IRJIQTIDUKYHMW-STQMWFEESA-N -1 0 325.317 2.423 20 5 EEBDRM CCCOC(=O)[C@@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228859949 1302488899 /nfs/dbraw/zinc/48/88/99/1302488899.db2.gz OICQXEDYBFZMNK-ZCFIWIBFSA-N -1 0 338.238 2.435 20 5 EEBDRM CC(C)(C)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001117758879 1306163054 /nfs/dbraw/zinc/16/30/54/1306163054.db2.gz ILRCDMAQTAEGHP-UHFFFAOYSA-N -1 0 346.380 2.256 20 5 EEBDRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842407533 1315698895 /nfs/dbraw/zinc/69/88/95/1315698895.db2.gz WIJBSALETIAYLA-SNVBAGLBSA-N -1 0 328.390 2.285 20 5 EEBDRM CS(=O)(=O)c1ccc2[nH]c(-c3cc([O-])ccc3[N+](=O)[O-])nc2c1 ZINC001250852587 1317347898 /nfs/dbraw/zinc/34/78/98/1317347898.db2.gz CCWFBXZOYHPHGP-UHFFFAOYSA-N -1 0 333.325 2.247 20 5 EEBDRM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2cccc([N+](=O)[O-])c2)c1 ZINC001204475902 1322151736 /nfs/dbraw/zinc/15/17/36/1322151736.db2.gz IBGNIYFFKKKNKO-UHFFFAOYSA-N -1 0 337.313 2.310 20 5 EEBDRM Cn1nc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2c1CCCC2 ZINC001601007059 1350187927 /nfs/dbraw/zinc/18/79/27/1350187927.db2.gz JLUVWDNPMLFYPD-UHFFFAOYSA-N -1 0 345.311 2.125 20 5 EEBDRM O=C([O-])c1c[nH]c(=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001602233496 1350472132 /nfs/dbraw/zinc/47/21/32/1350472132.db2.gz GZSDVOGTFNJGSA-UHFFFAOYSA-N -1 0 337.675 2.299 20 5 EEBDRM O=C([O-])c1cc(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)c[nH]1 ZINC001602616034 1350558247 /nfs/dbraw/zinc/55/82/47/1350558247.db2.gz WMQSFLTVIPHHDB-UHFFFAOYSA-N -1 0 326.211 2.256 20 5 EEBDRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)O1 ZINC001608736744 1351752034 /nfs/dbraw/zinc/75/20/34/1351752034.db2.gz WLXVSFBVBWFDHT-JOYOIKCWSA-N -1 0 326.280 2.085 20 5 EEBDRM O=C([O-])Cc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001608776619 1351760666 /nfs/dbraw/zinc/76/06/66/1351760666.db2.gz UXZGTLHYZCMDCZ-UHFFFAOYSA-N -1 0 332.287 2.291 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CC(=O)c3ccccc3O2)n1 ZINC001608915183 1351793431 /nfs/dbraw/zinc/79/34/31/1351793431.db2.gz IGNQJKBBDWZASW-VIFPVBQESA-N -1 0 343.295 2.134 20 5 EEBDRM O=C([O-])c1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cn1)CCC2 ZINC001608924290 1351795837 /nfs/dbraw/zinc/79/58/37/1351795837.db2.gz VSHYVVHHNUZYQZ-UHFFFAOYSA-N -1 0 327.296 2.281 20 5 EEBDRM O=C([O-])c1coc(/C=C/C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001608987355 1351808709 /nfs/dbraw/zinc/80/87/09/1351808709.db2.gz OAOJLGFPBXQNOQ-ONEGZZNKSA-N -1 0 328.280 2.489 20 5 EEBDRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001326577661 1334118628 /nfs/dbraw/zinc/11/86/28/1334118628.db2.gz VDATYHXNBGQCPB-VIFPVBQESA-N -1 0 342.323 2.227 20 5 EEBDRM CC(C)(C)C(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001609654035 1352050901 /nfs/dbraw/zinc/05/09/01/1352050901.db2.gz FOJUIDFZWQBKNC-UHFFFAOYSA-N -1 0 344.389 2.396 20 5 EEBDRM CC(C)(C)C(=O)NCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001609653371 1352051102 /nfs/dbraw/zinc/05/11/02/1352051102.db2.gz ORUATUCKEUREBH-FNORWQNLSA-N -1 0 335.360 2.267 20 5 EEBDRM CNC(=O)[C@@H]1CCC[C@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001610142974 1352172375 /nfs/dbraw/zinc/17/23/75/1352172375.db2.gz QGVPMCXLJVEUAS-LDYMZIIASA-N -1 0 341.751 2.273 20 5 EEBDRM COC(=O)c1ccc([N+](=O)[O-])c(OCc2ncccc2C(=O)[O-])c1 ZINC001610214285 1352187035 /nfs/dbraw/zinc/18/70/35/1352187035.db2.gz QQCFTSXLQCDGHD-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM CO[C@H]1C[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001610276725 1352198487 /nfs/dbraw/zinc/19/84/87/1352198487.db2.gz WDQOGDGQIWTUCX-PHIMTYICSA-N -1 0 337.332 2.243 20 5 EEBDRM COc1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001610333912 1352207057 /nfs/dbraw/zinc/20/70/57/1352207057.db2.gz PAMVLYHOFCHVTG-HAQNSBGRSA-N -1 0 336.344 2.111 20 5 EEBDRM Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001355594238 1338736488 /nfs/dbraw/zinc/73/64/88/1338736488.db2.gz PFUHGRGXCLSIAF-PHIMTYICSA-N -1 0 329.360 2.188 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Oc2ccc(C(=O)N(C)C)cc2)n1 ZINC001610439647 1352222605 /nfs/dbraw/zinc/22/26/05/1352222605.db2.gz AQAXMESOOJJWMT-UHFFFAOYSA-N -1 0 345.311 2.491 20 5 EEBDRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610568714 1352246366 /nfs/dbraw/zinc/24/63/66/1352246366.db2.gz JSRWRWBOBKUIOJ-MRVPVSSYSA-N -1 0 347.327 2.352 20 5 EEBDRM O=C([O-])CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC001610779221 1352273224 /nfs/dbraw/zinc/27/32/24/1352273224.db2.gz FZZAZSPZYDOFJR-UHFFFAOYSA-N -1 0 348.286 2.231 20 5 EEBDRM COc1cc(CN(C)c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])sn1 ZINC001599404982 1349947579 /nfs/dbraw/zinc/94/75/79/1349947579.db2.gz IIJOQQMDTWDMSZ-UHFFFAOYSA-N -1 0 337.357 2.323 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1C ZINC001599993720 1349951658 /nfs/dbraw/zinc/95/16/58/1349951658.db2.gz DWLHWXFBTHJELP-UHFFFAOYSA-N -1 0 343.343 2.106 20 5 EEBDRM Cc1c(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC001600011050 1349954917 /nfs/dbraw/zinc/95/49/17/1349954917.db2.gz KMSAOKYFUSXVPL-HNNXBMFYSA-N -1 0 342.351 2.430 20 5 EEBDRM Cc1cc(N[C@@H]2CC(=O)N(CC3CC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600279443 1350009510 /nfs/dbraw/zinc/00/95/10/1350009510.db2.gz KTYUTBRCPWKWAB-LLVKDONJSA-N -1 0 333.344 2.024 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)c1 ZINC001600487375 1350063153 /nfs/dbraw/zinc/06/31/53/1350063153.db2.gz ZWZBGRGANXKUFA-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC001600488798 1350063815 /nfs/dbraw/zinc/06/38/15/1350063815.db2.gz ARXPDQASUIWJTL-LBPRGKRZSA-N -1 0 344.389 2.023 20 5 EEBDRM Cc1cccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001600512554 1350069739 /nfs/dbraw/zinc/06/97/39/1350069739.db2.gz XDAQJTXVPIUPKY-AWEZNQCLSA-N -1 0 346.314 2.468 20 5 EEBDRM Cc1nc(C(=O)[O-])cn1CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001600685715 1350116135 /nfs/dbraw/zinc/11/61/35/1350116135.db2.gz YQCKOZPBANMXSH-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001600887790 1350160756 /nfs/dbraw/zinc/16/07/56/1350160756.db2.gz VEXBLBIXGVERCS-UHFFFAOYSA-N -1 0 338.345 2.115 20 5 EEBDRM Cn1nc(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC001601010949 1350189373 /nfs/dbraw/zinc/18/93/73/1350189373.db2.gz SHPTVLJQCZHXJS-UHFFFAOYSA-N -1 0 341.327 2.229 20 5 EEBDRM Nc1c(C(=O)O[C@H](C(=O)[O-])c2ccsc2)cc(F)cc1[N+](=O)[O-] ZINC001601208843 1350231390 /nfs/dbraw/zinc/23/13/90/1350231390.db2.gz VOJIBVTUADDRNG-NSHDSACASA-N -1 0 340.288 2.360 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001601215176 1350233323 /nfs/dbraw/zinc/23/33/23/1350233323.db2.gz YZBSAXZEBKYTDZ-JTQLQIEISA-N -1 0 341.323 2.396 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCCC1 ZINC001601453387 1350286504 /nfs/dbraw/zinc/28/65/04/1350286504.db2.gz SZTQATVMYWUSJQ-CYBMUJFWSA-N -1 0 335.360 2.391 20 5 EEBDRM O=C([O-])C1=CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001601498434 1350296429 /nfs/dbraw/zinc/29/64/29/1350296429.db2.gz PXFJFKGQPXQWCN-CQSZACIVSA-N -1 0 347.371 2.390 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001601752978 1350356894 /nfs/dbraw/zinc/35/68/94/1350356894.db2.gz LMZOGWAOFOTITM-JQWIXIFHSA-N -1 0 349.170 2.312 20 5 EEBDRM O=C([O-])CCc1nc(COc2cc(F)c(Cl)cc2[N+](=O)[O-])no1 ZINC001602046666 1350426289 /nfs/dbraw/zinc/42/62/89/1350426289.db2.gz KKSUQQHXDGRZPM-UHFFFAOYSA-N -1 0 345.670 2.367 20 5 EEBDRM O=C([O-])Cc1sccc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001602160541 1350454830 /nfs/dbraw/zinc/45/48/30/1350454830.db2.gz YGGHWTLVTJJJFI-UHFFFAOYSA-N -1 0 346.324 2.412 20 5 EEBDRM O=C([O-])[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC001602170797 1350456909 /nfs/dbraw/zinc/45/69/09/1350456909.db2.gz AHAOLYKQPHVDOO-HNNXBMFYSA-N -1 0 326.312 2.387 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001602217513 1350468713 /nfs/dbraw/zinc/46/87/13/1350468713.db2.gz JSKSOQAHNRNDTK-MELADBBJSA-N -1 0 332.356 2.412 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CSc2nc(=O)ccn2C2CC2)c1 ZINC001602403947 1350511643 /nfs/dbraw/zinc/51/16/43/1350511643.db2.gz WRXYUUZLRMTOGN-UHFFFAOYSA-N -1 0 347.352 2.477 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC12CCC2 ZINC001602407573 1350512863 /nfs/dbraw/zinc/51/28/63/1350512863.db2.gz BBRAOKSFVAJTCB-UHFFFAOYSA-N -1 0 340.357 2.000 20 5 EEBDRM O=C([O-])c1cccc(OS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC001602453071 1350522858 /nfs/dbraw/zinc/52/28/58/1350522858.db2.gz XHJNBUMDWUXDND-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC001602526322 1350539129 /nfs/dbraw/zinc/53/91/29/1350539129.db2.gz HLYLRFFWQDBMDN-GFCCVEGCSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1nc(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cs1 ZINC001602566057 1350548059 /nfs/dbraw/zinc/54/80/59/1350548059.db2.gz BNQNTDKVOGUWFU-UHFFFAOYSA-N -1 0 337.288 2.092 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001603187161 1350659553 /nfs/dbraw/zinc/65/95/53/1350659553.db2.gz DPUWFDOHIQYDJA-MEBBXXQBSA-N -1 0 343.339 2.369 20 5 EEBDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001603806351 1350772627 /nfs/dbraw/zinc/77/26/27/1350772627.db2.gz JFHCTXRMLARMQS-UHFFFAOYSA-N -1 0 346.771 2.180 20 5 EEBDRM C[C@H]1c2cccn2CCN1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603958962 1350814387 /nfs/dbraw/zinc/81/43/87/1350814387.db2.gz TWDMUTZRJFARRM-NSHDSACASA-N -1 0 339.359 2.153 20 5 EEBDRM C[C@@](NC(=O)c1cc(F)ccc1N)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604308649 1350912996 /nfs/dbraw/zinc/91/29/96/1350912996.db2.gz VHDTZKBPUBLCJT-INIZCTEOSA-N -1 0 347.302 2.046 20 5 EEBDRM C[C@@H]1CN(C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001604811461 1351012770 /nfs/dbraw/zinc/01/27/70/1351012770.db2.gz FZNNVIBRZJCHOJ-DTWKUNHWSA-N -1 0 327.768 2.475 20 5 EEBDRM CC[C@H](C)[C@H](OC)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604942091 1351035680 /nfs/dbraw/zinc/03/56/80/1351035680.db2.gz DBOREQVLLZJVMK-ZANVPECISA-N -1 0 325.317 2.397 20 5 EEBDRM CC[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC001605116173 1351080785 /nfs/dbraw/zinc/08/07/85/1351080785.db2.gz LAWSDMUZLLEEJD-YGRLFVJLSA-N -1 0 347.327 2.437 20 5 EEBDRM CCCc1[nH]nc(C(=O)N2CCc3c2cccc3C(=O)[O-])c1[N+](=O)[O-] ZINC001605361360 1351143922 /nfs/dbraw/zinc/14/39/22/1351143922.db2.gz XOJCNYMTONRDQI-UHFFFAOYSA-N -1 0 344.327 2.172 20 5 EEBDRM CCNC(=O)C1(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC001605489459 1351169575 /nfs/dbraw/zinc/16/95/75/1351169575.db2.gz GHLXNGDHURZZRG-ALCCZGGFSA-N -1 0 347.371 2.411 20 5 EEBDRM CN(CC(=O)Oc1ccccc1CC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001606088815 1351268791 /nfs/dbraw/zinc/26/87/91/1351268791.db2.gz LQZNKXKSYRNYFT-UHFFFAOYSA-N -1 0 344.323 2.264 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC001606830170 1351362955 /nfs/dbraw/zinc/36/29/55/1351362955.db2.gz JAVOOQNPGBBLTM-OAHLLOKOSA-N -1 0 326.324 2.190 20 5 EEBDRM COc1cc(O)ccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607183749 1351444759 /nfs/dbraw/zinc/44/47/59/1351444759.db2.gz XWLGKSRPMUXPPR-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001607191940 1351446583 /nfs/dbraw/zinc/44/65/83/1351446583.db2.gz SKBLGCLDHOTDDF-UHFFFAOYSA-N -1 0 335.247 2.088 20 5 EEBDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC001607307360 1351470084 /nfs/dbraw/zinc/47/00/84/1351470084.db2.gz BOOYMWONMYQFFW-CQSZACIVSA-N -1 0 338.360 2.115 20 5 EEBDRM Cc1c(NC(=O)NCCCn2cccn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607545250 1351513561 /nfs/dbraw/zinc/51/35/61/1351513561.db2.gz RXQOQIFGYSNOSH-UHFFFAOYSA-N -1 0 347.331 2.010 20 5 EEBDRM Cc1ccc(N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c([N+](=O)[O-])c1 ZINC001607793828 1351560013 /nfs/dbraw/zinc/56/00/13/1351560013.db2.gz QDWUINWCDZDTCD-QGZVFWFLSA-N -1 0 334.372 2.489 20 5 EEBDRM Cc1ccnc(N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001607895707 1351581229 /nfs/dbraw/zinc/58/12/29/1351581229.db2.gz ZYJGJZDOPCDNTK-DTWKUNHWSA-N -1 0 333.266 2.388 20 5 EEBDRM Nc1c(F)c(N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC001608272720 1351660637 /nfs/dbraw/zinc/66/06/37/1351660637.db2.gz UMHWCQRMUUXXDP-NSHDSACASA-N -1 0 337.229 2.160 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001608316151 1351669290 /nfs/dbraw/zinc/66/92/90/1351669290.db2.gz DVPNNMSEQGQAIF-BZNIZROVSA-N -1 0 336.319 2.132 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000119321792 1369557046 /nfs/dbraw/zinc/55/70/46/1369557046.db2.gz DSBDIKFUFGPOGR-UHFFFAOYSA-N -1 0 344.345 2.223 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780523327 1371164625 /nfs/dbraw/zinc/16/46/25/1371164625.db2.gz XYFRCXWIVWXLCK-HNNXBMFYSA-N -1 0 328.328 2.206 20 5 EEBDRM O=C([O-])c1cnc(N2CCS[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000906155661 783724963 /nfs/dbraw/zinc/72/49/63/783724963.db2.gz OIBBSRLUAVKILF-QMMMGPOBSA-N -1 0 337.279 2.172 20 5 EEBDRM C[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1nncn1C ZINC000844217214 788907531 /nfs/dbraw/zinc/90/75/31/788907531.db2.gz JHDXAHVCAWOFAB-DFVUYQKZSA-N -1 0 331.332 2.037 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@H]2COC3(CCCCC3)O2)c([N+](=O)[O-])c1 ZINC000844210757 788928335 /nfs/dbraw/zinc/92/83/35/788928335.db2.gz GUXLRMUYBNHKGO-LLVKDONJSA-N -1 0 337.332 2.176 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(C(=O)C(F)(F)F)CC2)n1 ZINC000844214356 788933482 /nfs/dbraw/zinc/93/34/82/788933482.db2.gz FYAHTCPTWRMONT-UHFFFAOYSA-N -1 0 347.249 2.036 20 5 EEBDRM CCC(CC)CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151408537 788935867 /nfs/dbraw/zinc/93/58/67/788935867.db2.gz KZXBAODTXCVWPA-UHFFFAOYSA-N -1 0 342.417 2.410 20 5 EEBDRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000845494334 789814208 /nfs/dbraw/zinc/81/42/08/789814208.db2.gz CATRMYPNJMVZMI-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000915284685 795821265 /nfs/dbraw/zinc/82/12/65/795821265.db2.gz XOESWWUTLHPZDR-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM NC(=O)c1ccc(Cl)nc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503035 797784285 /nfs/dbraw/zinc/78/42/85/797784285.db2.gz UFPQUCMYCGVPKR-UHFFFAOYSA-N -1 0 336.691 2.184 20 5 EEBDRM O=C([O-])c1cc(NC2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC000917067925 798057238 /nfs/dbraw/zinc/05/72/38/798057238.db2.gz ARDJIEAICOMEQM-UHFFFAOYSA-N -1 0 343.343 2.164 20 5 EEBDRM O=C([O-])c1cc(Nc2cccnc2OC2COC2)cc([N+](=O)[O-])c1 ZINC001176675417 798523351 /nfs/dbraw/zinc/52/33/51/798523351.db2.gz WHIDMIIDCYKFLA-UHFFFAOYSA-N -1 0 331.284 2.209 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1cc(=O)[n-]o1 ZINC001169492157 803816090 /nfs/dbraw/zinc/81/60/90/803816090.db2.gz YSIJEBHPBWKKNX-UHFFFAOYSA-N -1 0 327.680 2.341 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cs1 ZINC000808328450 812598210 /nfs/dbraw/zinc/59/82/10/812598210.db2.gz PIPVSTACEARMKF-QMMMGPOBSA-N -1 0 330.309 2.276 20 5 EEBDRM Cc1cc(OCC(=O)NC2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC001600288314 970794446 /nfs/dbraw/zinc/79/44/46/970794446.db2.gz BAFBOEBDPQWLJU-UHFFFAOYSA-N -1 0 336.344 2.042 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001595201081 952310408 /nfs/dbraw/zinc/31/04/08/952310408.db2.gz JESIMIILNMGJMF-MRXNPFEDSA-N -1 0 336.347 2.371 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001589172267 956470170 /nfs/dbraw/zinc/47/01/70/956470170.db2.gz CXWSLAFOTAECIE-ZETCQYMHSA-N -1 0 336.329 2.135 20 5 EEBDRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001589192780 956602566 /nfs/dbraw/zinc/60/25/66/956602566.db2.gz OPXLDHVDACRNIV-UHFFFAOYSA-N -1 0 325.296 2.453 20 5 EEBDRM COc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001594120854 958596595 /nfs/dbraw/zinc/59/65/95/958596595.db2.gz JZGTUPWPJGMBBK-ZDUSSCGKSA-N -1 0 348.286 2.298 20 5 EEBDRM C[C@@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC001594206638 959274853 /nfs/dbraw/zinc/27/48/53/959274853.db2.gz JZJNESCVCALFPJ-GSVOUGTGSA-N -1 0 325.079 2.244 20 5 EEBDRM CC(C)(C(=O)N(CC(=O)[O-])CC1CC1)c1ccc([N+](=O)[O-])cc1F ZINC001588607551 959490271 /nfs/dbraw/zinc/49/02/71/959490271.db2.gz KJAOXJFWCCVFSS-UHFFFAOYSA-N -1 0 338.335 2.335 20 5 EEBDRM CC(C)(NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)[O-] ZINC001588796055 961397142 /nfs/dbraw/zinc/39/71/42/961397142.db2.gz QVIPVPIKMTXXMP-UHFFFAOYSA-N -1 0 340.723 2.251 20 5 EEBDRM O=C([O-])[C@@H](C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC001574616370 962222867 /nfs/dbraw/zinc/22/28/67/962222867.db2.gz IJXZKXWHOXCNGJ-SNVBAGLBSA-N -1 0 343.133 2.407 20 5 EEBDRM C[C@H](OC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001605054017 972673087 /nfs/dbraw/zinc/67/30/87/972673087.db2.gz WEBUNNYZTZVERH-SDDRHHMPSA-N -1 0 337.328 2.469 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001603360700 972829030 /nfs/dbraw/zinc/82/90/30/972829030.db2.gz WUFYSKPTZBGNIH-MWLCHTKSSA-N -1 0 340.763 2.360 20 5 EEBDRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC001605489094 973629924 /nfs/dbraw/zinc/62/99/24/973629924.db2.gz QLLLHLKBCRKDOW-MNOVXSKESA-N -1 0 348.334 2.162 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001606367612 973824827 /nfs/dbraw/zinc/82/48/27/973824827.db2.gz ORZYBGCKKQMWSI-NSHDSACASA-N -1 0 326.736 2.256 20 5 EEBDRM COc1cc(-c2nc(C3(C(=O)[O-])CCC3)no2)c([N+](=O)[O-])cc1F ZINC001604680778 973874525 /nfs/dbraw/zinc/87/45/25/973874525.db2.gz UFSGRZDLDNUNPP-UHFFFAOYSA-N -1 0 337.263 2.299 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001591705711 975573835 /nfs/dbraw/zinc/57/38/35/975573835.db2.gz WMRDGOKMRWVZSP-RISCZKNCSA-N -1 0 338.360 2.035 20 5 EEBDRM CC[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@@H]1C ZINC001595463918 981147913 /nfs/dbraw/zinc/14/79/13/981147913.db2.gz HBXKUBWVDKYYFJ-NXEZZACHSA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001594818672 981960328 /nfs/dbraw/zinc/96/03/28/981960328.db2.gz BVYVODGACDLYMJ-INIZCTEOSA-N -1 0 336.344 2.317 20 5 EEBDRM CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001594841657 982057104 /nfs/dbraw/zinc/05/71/04/982057104.db2.gz GCXFQBGBBRDJBH-CYBMUJFWSA-N -1 0 332.259 2.179 20 5 EEBDRM CCNc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC001596501370 984254861 /nfs/dbraw/zinc/25/48/61/984254861.db2.gz RJPJYJXNEIHNOY-INIZCTEOSA-N -1 0 335.360 2.400 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1C ZINC001596715134 984944473 /nfs/dbraw/zinc/94/44/73/984944473.db2.gz QUXAEIUCJIJQDY-ZYHUDNBSSA-N -1 0 336.344 2.237 20 5 EEBDRM CCc1n[nH]c(C(=O)NCCCCC2(C(=O)[O-])CCC2)c1[N+](=O)[O-] ZINC001597400276 987662819 /nfs/dbraw/zinc/66/28/19/987662819.db2.gz XRODGUOYSPCRMV-UHFFFAOYSA-N -1 0 338.364 2.035 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC001599823030 988547830 /nfs/dbraw/zinc/54/78/30/988547830.db2.gz UDNXABDFIPCYCP-UHFFFAOYSA-N -1 0 349.324 2.368 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)N2CCCCc3cc([N+](=O)[O-])ccc32)O[C@H]1C(=O)[O-] ZINC001599875135 989408171 /nfs/dbraw/zinc/40/81/71/989408171.db2.gz YUNFDUXLNJPZJO-VCTAVGKDSA-N -1 0 348.355 2.142 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001591657188 992987174 /nfs/dbraw/zinc/98/71/74/992987174.db2.gz JWCDFWBDFIIOJX-GFCCVEGCSA-N -1 0 335.360 2.034 20 5 EEBDRM COc1ccc(O)cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599599475 993794594 /nfs/dbraw/zinc/79/45/94/993794594.db2.gz HDBUDHNUSDUBLR-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM COc1cccc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c1Cl ZINC001599676639 994908175 /nfs/dbraw/zinc/90/81/75/994908175.db2.gz HGQJGCSROYTVOV-UHFFFAOYSA-N -1 0 338.703 2.165 20 5 EEBDRM COC(=O)c1c(Cl)c(N(C)CCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC001598915777 997462195 /nfs/dbraw/zinc/46/21/95/997462195.db2.gz KJHZOUBBJHIBCO-UHFFFAOYSA-N -1 0 330.724 2.336 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001599462547 998299521 /nfs/dbraw/zinc/29/95/21/998299521.db2.gz YZOPUMVPRBXJHY-LRDDRELGSA-N -1 0 336.344 2.367 20 5 EEBDRM Cc1ccc(NCCCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc1 ZINC000180117695 233745192 /nfs/dbraw/zinc/74/51/92/233745192.db2.gz QMVUQNSFZRRNGL-UHFFFAOYSA-N -1 0 330.344 2.236 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1noc(C2CC2)n1 ZINC000183403499 235051684 /nfs/dbraw/zinc/05/16/84/235051684.db2.gz OUTQSKHGMIKDSL-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000263430070 299246561 /nfs/dbraw/zinc/24/65/61/299246561.db2.gz KLKQEZURXPNBIL-QWRGUYRKSA-N -1 0 335.360 2.034 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C2CC2)nn1 ZINC000446945355 242232304 /nfs/dbraw/zinc/23/23/04/242232304.db2.gz DWCJKOILONGWAK-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCC(=O)[O-])CC1 ZINC000236731740 242337774 /nfs/dbraw/zinc/33/77/74/242337774.db2.gz HTLRKRVUZHNZLK-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000262661787 245106964 /nfs/dbraw/zinc/10/69/64/245106964.db2.gz LYCPQFGXPXFYOP-CYBMUJFWSA-N -1 0 347.327 2.078 20 5 EEBDRM COc1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc([N+](=O)[O-])c1C ZINC000263193020 245357671 /nfs/dbraw/zinc/35/76/71/245357671.db2.gz TWCGVYHVYKLCCJ-LBPRGKRZSA-N -1 0 348.355 2.239 20 5 EEBDRM O=C(/C=C/c1ccsc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000491879573 246196107 /nfs/dbraw/zinc/19/61/07/246196107.db2.gz BGCREQFLOYGGET-OWOJBTEDSA-N -1 0 344.395 2.236 20 5 EEBDRM O=C(CNC(=O)OCc1ccccc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000495048479 247057756 /nfs/dbraw/zinc/05/77/56/247057756.db2.gz NMGHUSTZVBOAJU-UHFFFAOYSA-N -1 0 345.311 2.165 20 5 EEBDRM C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000276548232 256443033 /nfs/dbraw/zinc/44/30/33/256443033.db2.gz KCABUYKQPKNIMG-QMMMGPOBSA-N -1 0 341.751 2.151 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3nncn3c2)c1[N+](=O)[O-] ZINC000191790864 152273290 /nfs/dbraw/zinc/27/32/90/152273290.db2.gz NWPFKNCRQDWDSB-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000263001457 152354874 /nfs/dbraw/zinc/35/48/74/152354874.db2.gz VALKWTVXIVMTAY-GXTWGEPZSA-N -1 0 335.360 2.452 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263001089 152354969 /nfs/dbraw/zinc/35/49/69/152354969.db2.gz GCYLGJSVMHMSQR-JTQLQIEISA-N -1 0 337.332 2.322 20 5 EEBDRM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2F)ccc1[N+](=O)[O-] ZINC000348454644 152936808 /nfs/dbraw/zinc/93/68/08/152936808.db2.gz MULQCTBXNQHSJX-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000355846777 153166710 /nfs/dbraw/zinc/16/67/10/153166710.db2.gz URDSIWWFFOFKAF-UHFFFAOYSA-N -1 0 342.352 2.387 20 5 EEBDRM COc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000261728905 160412288 /nfs/dbraw/zinc/41/22/88/160412288.db2.gz RLZUXXSXDFIYPR-UHFFFAOYSA-N -1 0 337.332 2.368 20 5 EEBDRM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262318137 160450457 /nfs/dbraw/zinc/45/04/57/160450457.db2.gz VBKAJHYVQULWHG-PSASIEDQSA-N -1 0 344.751 2.385 20 5 EEBDRM COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000327410063 160544833 /nfs/dbraw/zinc/54/48/33/160544833.db2.gz WYKBLZDXXDZQBF-ZDUSSCGKSA-N -1 0 344.323 2.029 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)c2ccnc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000237581786 160223456 /nfs/dbraw/zinc/22/34/56/160223456.db2.gz QVJIBBVTNIBJFF-SNVBAGLBSA-N -1 0 329.312 2.487 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000237666523 160223899 /nfs/dbraw/zinc/22/38/99/160223899.db2.gz PMXSGKAUUODMGI-OAHLLOKOSA-N -1 0 328.324 2.329 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000238087490 160228027 /nfs/dbraw/zinc/22/80/27/160228027.db2.gz JSSNVOQYHTWWQZ-UHFFFAOYSA-N -1 0 343.339 2.411 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc(F)c2C)c([N+](=O)[O-])n1 ZINC000339688777 160862273 /nfs/dbraw/zinc/86/22/73/160862273.db2.gz SZSCJLWANPRJDT-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000343884512 161177630 /nfs/dbraw/zinc/17/76/30/161177630.db2.gz RXPFFYGYJMGLAO-UHFFFAOYSA-N -1 0 336.325 2.131 20 5 EEBDRM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356233360 163373628 /nfs/dbraw/zinc/37/36/28/163373628.db2.gz ZYUOPXWLMNVOIN-OAHLLOKOSA-N -1 0 345.355 2.460 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccnc(N2CCCCC2)n1 ZINC000356317987 163402981 /nfs/dbraw/zinc/40/29/81/163402981.db2.gz GCAQNMPCQDJAPY-UHFFFAOYSA-N -1 0 343.343 2.333 20 5 EEBDRM CN(Cc1cn2c(n1)CCCC2)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376021995 167246286 /nfs/dbraw/zinc/24/62/86/167246286.db2.gz BCRXZZWCVBGEEA-UHFFFAOYSA-N -1 0 330.344 2.105 20 5 EEBDRM O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000275035964 269086912 /nfs/dbraw/zinc/08/69/12/269086912.db2.gz JGHIYRDYNAMSCD-BONVTDFDSA-N -1 0 338.385 2.085 20 5 EEBDRM O=C1C[C@@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)CN1CC1CC1 ZINC000278180885 269214071 /nfs/dbraw/zinc/21/40/71/269214071.db2.gz UHDDHAJJVLPXHK-LLVKDONJSA-N -1 0 344.327 2.076 20 5 EEBDRM Cn1nc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1C1CC1 ZINC000291150032 275275843 /nfs/dbraw/zinc/27/58/43/275275843.db2.gz OXRFSXJMZYKCTI-UHFFFAOYSA-N -1 0 342.402 2.414 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000292710004 275468467 /nfs/dbraw/zinc/46/84/67/275468467.db2.gz YCDIMCYKGZFEJJ-UKRRQHHQSA-N -1 0 332.356 2.474 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000414380592 313007359 /nfs/dbraw/zinc/00/73/59/313007359.db2.gz GPQSIKOESYHPTE-UHFFFAOYSA-N -1 0 327.293 2.400 20 5 EEBDRM Cc1cc(N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)ccc1[N+](=O)[O-] ZINC000416447945 313225621 /nfs/dbraw/zinc/22/56/21/313225621.db2.gz SLHHAWTWBORVCA-OCCSQVGLSA-N -1 0 335.360 2.025 20 5 EEBDRM COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000416532374 313248410 /nfs/dbraw/zinc/24/84/10/313248410.db2.gz REPRODZYRZSDEZ-ZYHUDNBSSA-N -1 0 328.390 2.316 20 5 EEBDRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000435724299 314920155 /nfs/dbraw/zinc/92/01/55/314920155.db2.gz CHNALEYEMKQQSG-UHFFFAOYSA-N -1 0 338.389 2.483 20 5 EEBDRM CCOC(=O)C[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000436581584 314977576 /nfs/dbraw/zinc/97/75/76/314977576.db2.gz JKKKNZVZUHVDMW-MRXNPFEDSA-N -1 0 338.360 2.398 20 5 EEBDRM Cn1c2cc3nc(-c4ccc([O-])c([N+](=O)[O-])c4)[nH]c3cc2n(C)c1=O ZINC000436891254 315010215 /nfs/dbraw/zinc/01/02/15/315010215.db2.gz FLVIGMCBMVXLOX-UHFFFAOYSA-N -1 0 339.311 2.034 20 5 EEBDRM O=C(NCc1cccc2c1OCCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436970121 315018170 /nfs/dbraw/zinc/01/81/70/315018170.db2.gz BZKFDYACPMYPTR-UHFFFAOYSA-N -1 0 344.323 2.392 20 5 EEBDRM Cn1cc(C(C)(C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000522006330 316946336 /nfs/dbraw/zinc/94/63/36/316946336.db2.gz XLCZSMUVNZNPRT-UHFFFAOYSA-N -1 0 338.751 2.352 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000537483446 318017892 /nfs/dbraw/zinc/01/78/92/318017892.db2.gz SKWMRUMKBVPMOW-UHFFFAOYSA-N -1 0 336.344 2.320 20 5 EEBDRM CC(=O)N[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000537545295 318018830 /nfs/dbraw/zinc/01/88/30/318018830.db2.gz LMYUIDNNSOKPAW-NSHDSACASA-N -1 0 329.740 2.053 20 5 EEBDRM Cc1nc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc2ccccc12 ZINC000541879623 318115324 /nfs/dbraw/zinc/11/53/24/318115324.db2.gz PXKUZQOHRHYNRP-UHFFFAOYSA-N -1 0 338.323 2.482 20 5 EEBDRM CC[C@H]1C[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC(=O)N1 ZINC000542638643 318134401 /nfs/dbraw/zinc/13/44/01/318134401.db2.gz PANRTAXIIDUDSU-CBAPKCEASA-N -1 0 341.751 2.197 20 5 EEBDRM O=C(NCCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000543416061 318158064 /nfs/dbraw/zinc/15/80/64/318158064.db2.gz CTDKOBIBRZCUOK-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCCNc2ccccn2)n1 ZINC000564088930 319066407 /nfs/dbraw/zinc/06/64/07/319066407.db2.gz RZFPEDXEESGCJE-UHFFFAOYSA-N -1 0 331.332 2.387 20 5 EEBDRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])C1 ZINC000564100080 319067885 /nfs/dbraw/zinc/06/78/85/319067885.db2.gz SFPKSNUMDIOLBI-KBVBSXBZSA-N -1 0 342.373 2.045 20 5 EEBDRM CC[C@H](C[C@H](C)CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565027533 319140351 /nfs/dbraw/zinc/14/03/51/319140351.db2.gz URCXGPFTGIOPMC-WCBMZHEXSA-N -1 0 330.768 2.481 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000565112712 319150564 /nfs/dbraw/zinc/15/05/64/319150564.db2.gz PGEPEJJRHLOWDZ-CYBMUJFWSA-N -1 0 348.277 2.442 20 5 EEBDRM Cc1cc(N2CC[C@H](Cc3cnn(C)c3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565604360 319197805 /nfs/dbraw/zinc/19/78/05/319197805.db2.gz UQLAULJZMWDAMR-GFCCVEGCSA-N -1 0 344.371 2.404 20 5 EEBDRM CC(C)Oc1cc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])ccn1 ZINC000566291030 319269782 /nfs/dbraw/zinc/26/97/82/319269782.db2.gz NPJRPNWSLOWAON-UHFFFAOYSA-N -1 0 332.316 2.482 20 5 EEBDRM Cc1cc(N[C@@H](C)[C@H](C)N2CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566291538 319270022 /nfs/dbraw/zinc/27/00/22/319270022.db2.gz LTEMZOGMRFKHJF-RYUDHWBXSA-N -1 0 337.376 2.123 20 5 EEBDRM O=C(N[C@H]1CC[C@H](CO)CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568398122 319485236 /nfs/dbraw/zinc/48/52/36/319485236.db2.gz PCSSERPBOZTGJH-CZMCAQCFSA-N -1 0 328.752 2.235 20 5 EEBDRM CN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000570282195 319652304 /nfs/dbraw/zinc/65/23/04/319652304.db2.gz SXIPICWKBTWZLW-UHFFFAOYSA-N -1 0 344.751 2.368 20 5 EEBDRM C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000570847319 319704087 /nfs/dbraw/zinc/70/40/87/319704087.db2.gz GMNCSAFKUGVUGH-MEDUHNTESA-N -1 0 336.344 2.067 20 5 EEBDRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000576588464 320186320 /nfs/dbraw/zinc/18/63/20/320186320.db2.gz TWJZLGXBJBCCLQ-SNVBAGLBSA-N -1 0 329.312 2.476 20 5 EEBDRM COc1nc(N(C)CCc2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000578445916 320315045 /nfs/dbraw/zinc/31/50/45/320315045.db2.gz YZKXKXIDXWTHBS-UHFFFAOYSA-N -1 0 331.328 2.376 20 5 EEBDRM O=C([O-])c1cnc(N[C@@H]2CCO[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000579013727 323759647 /nfs/dbraw/zinc/75/96/47/323759647.db2.gz HMMJDKDSGSEFOA-BXUZGUMPSA-N -1 0 344.327 2.415 20 5 EEBDRM CCC[C@H](C)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581314538 324229169 /nfs/dbraw/zinc/22/91/69/324229169.db2.gz VMSLGBAKRQFYJW-VIFPVBQESA-N -1 0 330.362 2.102 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2c(C)c(C)nn2C)cc1[N+](=O)[O-] ZINC000581488867 324264221 /nfs/dbraw/zinc/26/42/21/324264221.db2.gz CTBQCXSENKONJX-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM Cc1noc(CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000583937104 324763085 /nfs/dbraw/zinc/76/30/85/324763085.db2.gz ZFOOJJMYMXEAHL-UHFFFAOYSA-N -1 0 340.723 2.008 20 5 EEBDRM O=C(CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)Nc1ccccc1 ZINC000113441287 462595493 /nfs/dbraw/zinc/59/54/93/462595493.db2.gz YQLOUARLBZHQKJ-UHFFFAOYSA-N -1 0 329.312 2.059 20 5 EEBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000007054282 462719656 /nfs/dbraw/zinc/71/96/56/462719656.db2.gz IZIKHATZEZFHTO-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000135556844 463174374 /nfs/dbraw/zinc/17/43/74/463174374.db2.gz SSJISGLIPHWAMX-UHFFFAOYSA-N -1 0 338.327 2.259 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000121977499 463226735 /nfs/dbraw/zinc/22/67/35/463226735.db2.gz HLVRZAQJDBLGFB-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000178280588 463873589 /nfs/dbraw/zinc/87/35/89/463873589.db2.gz QAIVYLIWLOFCIH-INIZCTEOSA-N -1 0 336.347 2.314 20 5 EEBDRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000194596692 463890547 /nfs/dbraw/zinc/89/05/47/463890547.db2.gz JPOVQUXJFUFCCC-UHFFFAOYSA-N -1 0 349.368 2.097 20 5 EEBDRM C/C=C/C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000263264934 464074365 /nfs/dbraw/zinc/07/43/65/464074365.db2.gz KOGJXDLJPHCPMK-YWVDXFKGSA-N -1 0 331.328 2.085 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000263370731 464093240 /nfs/dbraw/zinc/09/32/40/464093240.db2.gz VGOCGZNWULBLQF-QWRGUYRKSA-N -1 0 343.339 2.326 20 5 EEBDRM O=C(NCCN1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179448871 464138315 /nfs/dbraw/zinc/13/83/15/464138315.db2.gz FTZYTKOIGKTOBL-UHFFFAOYSA-N -1 0 347.396 2.150 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000237586423 464343635 /nfs/dbraw/zinc/34/36/35/464343635.db2.gz URLVGIXKQHLQKH-AWEZNQCLSA-N -1 0 347.302 2.383 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC000180757374 464387758 /nfs/dbraw/zinc/38/77/58/464387758.db2.gz ANEOHLQRWOEVJL-UHFFFAOYSA-N -1 0 335.341 2.034 20 5 EEBDRM O=C([O-])C1(NC(=O)CCNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000238077144 464429019 /nfs/dbraw/zinc/42/90/19/464429019.db2.gz CSCHHKRWZCPWLU-UHFFFAOYSA-N -1 0 335.360 2.301 20 5 EEBDRM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])[N-]OC[C@H]1CCOC1 ZINC000276396546 464916830 /nfs/dbraw/zinc/91/68/30/464916830.db2.gz GIIGKAJILDESSG-VIFPVBQESA-N -1 0 346.792 2.425 20 5 EEBDRM Cc1noc(=NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[n-]1 ZINC000339819768 465530899 /nfs/dbraw/zinc/53/08/99/465530899.db2.gz LLNPTELNLMRCNV-UHFFFAOYSA-N -1 0 341.121 2.031 20 5 EEBDRM COc1cccc(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000362497782 465784120 /nfs/dbraw/zinc/78/41/20/465784120.db2.gz JWONCTYBKILQBI-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338994293 466555568 /nfs/dbraw/zinc/55/55/68/466555568.db2.gz GFOOTAGTJVTPNO-INIZCTEOSA-N -1 0 345.355 2.174 20 5 EEBDRM O=C([O-])CC1(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000321753485 466626531 /nfs/dbraw/zinc/62/65/31/466626531.db2.gz LTLFMRPZQHQUTO-UHFFFAOYSA-N -1 0 342.373 2.051 20 5 EEBDRM CC(C)C[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C(=O)[O-] ZINC000391643300 467421143 /nfs/dbraw/zinc/42/11/43/467421143.db2.gz AJBBWJQBXNRAOX-VIFPVBQESA-N -1 0 334.332 2.402 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000398933323 467451634 /nfs/dbraw/zinc/45/16/34/467451634.db2.gz TWXCUIUKTBFVKS-RKDXNWHRSA-N -1 0 325.296 2.308 20 5 EEBDRM C[S@](=O)c1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436156384 467518111 /nfs/dbraw/zinc/51/81/11/467518111.db2.gz WFNLSDLJUZMACX-QHCPKHFHSA-N -1 0 334.353 2.219 20 5 EEBDRM Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])nn1-c1ccccc1 ZINC000436962501 467555120 /nfs/dbraw/zinc/55/51/20/467555120.db2.gz NXAYNWUTFUFOQY-UHFFFAOYSA-N -1 0 338.323 3.047 20 5 EEBDRM Cn1c(=O)[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc21 ZINC000443182774 467579297 /nfs/dbraw/zinc/57/92/97/467579297.db2.gz PTWCCHXXGWTKNU-UHFFFAOYSA-N -1 0 328.284 2.145 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000493357821 467894912 /nfs/dbraw/zinc/89/49/12/467894912.db2.gz SYNRKJNKTXMDGG-FUEXJSSKSA-N -1 0 336.319 2.364 20 5 EEBDRM C[C@@H]1C[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)O1 ZINC000514732261 467951942 /nfs/dbraw/zinc/95/19/42/467951942.db2.gz VEDBIZFXCICJLR-HRDYMLBCSA-N -1 0 328.752 2.497 20 5 EEBDRM CCOC(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000494160953 468034198 /nfs/dbraw/zinc/03/41/98/468034198.db2.gz WYXYITTUEUZUQR-JTQLQIEISA-N -1 0 337.332 2.107 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000531747002 468072567 /nfs/dbraw/zinc/07/25/67/468072567.db2.gz CAJMOJWHGGFSAM-UHFFFAOYSA-N -1 0 336.325 2.163 20 5 EEBDRM CC[C@H](C(=O)[O-])[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000519627811 468184975 /nfs/dbraw/zinc/18/49/75/468184975.db2.gz GCKQNMBQARDAJS-SPSFWMDKSA-N -1 0 338.341 2.362 20 5 EEBDRM CC(C)c1nc(CCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cs1 ZINC000578326157 468201533 /nfs/dbraw/zinc/20/15/33/468201533.db2.gz HLQBFDCOBSPZQI-UHFFFAOYSA-N -1 0 336.373 2.923 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)OC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000496383518 468209808 /nfs/dbraw/zinc/20/98/08/468209808.db2.gz GDQSWPNBUMVHIE-ZANVPECISA-N -1 0 340.332 2.114 20 5 EEBDRM O=C([O-])c1ccnc(N[C@@H]2CCO[C@@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000567983365 468249917 /nfs/dbraw/zinc/24/99/17/468249917.db2.gz CXBCCMVKNNTLFK-ZWNOBZJWSA-N -1 0 344.327 2.415 20 5 EEBDRM CCO[C@@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000570048005 468583583 /nfs/dbraw/zinc/58/35/83/468583583.db2.gz CZBAAAGFMFFITI-LZWOXQAQSA-N -1 0 336.344 2.432 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c[nH]nc1C1CC1 ZINC000583154359 468653923 /nfs/dbraw/zinc/65/39/23/468653923.db2.gz ADYADLWZMPBTEZ-UHFFFAOYSA-N -1 0 338.345 2.005 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC[C@@H]([C@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000594736618 468668564 /nfs/dbraw/zinc/66/85/64/468668564.db2.gz TWMDQNNOHMZAQW-DGCLKSJQSA-N -1 0 335.360 2.474 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC[C@H]([C@@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000594736617 468669014 /nfs/dbraw/zinc/66/90/14/468669014.db2.gz TWMDQNNOHMZAQW-AAEUAGOBSA-N -1 0 335.360 2.474 20 5 EEBDRM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C)C(=O)OC(C)(C)C ZINC000597868988 468698849 /nfs/dbraw/zinc/69/88/49/468698849.db2.gz IVNFILYWCAFGOK-JTQLQIEISA-N -1 0 338.360 2.493 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000558697621 468708014 /nfs/dbraw/zinc/70/80/14/468708014.db2.gz OIGSQOPZSWZTSO-RKDXNWHRSA-N -1 0 336.373 2.318 20 5 EEBDRM CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000595283869 468800466 /nfs/dbraw/zinc/80/04/66/468800466.db2.gz YWAOAUHXMWAECT-LLVKDONJSA-N -1 0 335.360 2.130 20 5 EEBDRM CC(C)Oc1ncccc1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592969417 468831186 /nfs/dbraw/zinc/83/11/86/468831186.db2.gz KZEPKPPCYCZBCN-UHFFFAOYSA-N -1 0 332.316 2.482 20 5 EEBDRM O=C([O-])c1cnc(N2CCN(c3ccc([N+](=O)[O-])s3)CC2)s1 ZINC000592981087 468833774 /nfs/dbraw/zinc/83/37/74/468833774.db2.gz PRPZZKBDFSYORI-UHFFFAOYSA-N -1 0 340.386 2.138 20 5 EEBDRM O=C([O-])[C@H]1CCCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598658790 468948903 /nfs/dbraw/zinc/94/89/03/468948903.db2.gz LYWIOUZOBRKLJB-CQSZACIVSA-N -1 0 335.360 2.253 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598660449 468949719 /nfs/dbraw/zinc/94/97/19/468949719.db2.gz SHFBCYIIXKYYKU-NEPJUHHUSA-N -1 0 335.360 2.156 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598659701 468949800 /nfs/dbraw/zinc/94/98/00/468949800.db2.gz GZDHYFZIAWZKMU-MRVPVSSYSA-N -1 0 344.776 2.138 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)o2)c(C)c1[N+](=O)[O-] ZINC000598734432 468979261 /nfs/dbraw/zinc/97/92/61/468979261.db2.gz MSHRCBLCXIYMQZ-UHFFFAOYSA-N -1 0 338.345 2.273 20 5 EEBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000611526106 469272121 /nfs/dbraw/zinc/27/21/21/469272121.db2.gz GLHCNLGAIUZCCH-ZDUSSCGKSA-N -1 0 345.355 2.405 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000611554432 469277976 /nfs/dbraw/zinc/27/79/76/469277976.db2.gz PVZXOGOXHMBIAS-QMMMGPOBSA-N -1 0 342.311 2.373 20 5 EEBDRM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000612397321 469455423 /nfs/dbraw/zinc/45/54/23/469455423.db2.gz BIGHEGIJPIWCMC-GFCCVEGCSA-N -1 0 336.250 2.442 20 5 EEBDRM CCC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165118403 528990194 /nfs/dbraw/zinc/99/01/94/528990194.db2.gz RECXEXXNHCGLSY-SNVBAGLBSA-N -1 0 345.149 2.340 20 5 EEBDRM CC[C@@H](C)[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000236863396 535707287 /nfs/dbraw/zinc/70/72/87/535707287.db2.gz IVCFQRIQVQSDQI-YGRLFVJLSA-N -1 0 346.343 2.010 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000262563973 535855148 /nfs/dbraw/zinc/85/51/48/535855148.db2.gz ZLIVHUDVYUGOEG-ZUZCIYMTSA-N -1 0 333.344 2.165 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1COC(=O)CCCN(C)C(=O)[O-] ZINC000738069105 577998315 /nfs/dbraw/zinc/99/83/15/577998315.db2.gz XMVREBLDMACMJW-UHFFFAOYSA-N -1 0 326.305 2.037 20 5 EEBDRM Cc1cc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000738462795 576452263 /nfs/dbraw/zinc/45/22/63/576452263.db2.gz YLHVIRZOBHZOEC-UHFFFAOYSA-N -1 0 329.312 2.312 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000738478391 576474620 /nfs/dbraw/zinc/47/46/20/576474620.db2.gz NFOYIYHOJHSBNK-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000733062066 577201491 /nfs/dbraw/zinc/20/14/91/577201491.db2.gz MEGBTLLWAWURIH-JXMROGBWSA-N -1 0 340.401 2.490 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C)C1 ZINC000776510469 577461180 /nfs/dbraw/zinc/46/11/80/577461180.db2.gz HFXMFWWWNOGAQB-GXSJLCMTSA-N -1 0 326.374 2.144 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000770772435 577603366 /nfs/dbraw/zinc/60/33/66/577603366.db2.gz LNNYVONZFYBBBG-QMMMGPOBSA-N -1 0 332.353 2.221 20 5 EEBDRM CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000770856053 577604900 /nfs/dbraw/zinc/60/49/00/577604900.db2.gz JUJNSXQSPMTOAC-UHFFFAOYSA-N -1 0 339.348 2.496 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000750691310 577741265 /nfs/dbraw/zinc/74/12/65/577741265.db2.gz YXLUYPMBDHYSCB-SECBINFHSA-N -1 0 344.364 2.365 20 5 EEBDRM COc1c(C)cnc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1C ZINC000753810052 577794225 /nfs/dbraw/zinc/79/42/25/577794225.db2.gz PCCQHIMGZVKZCE-UHFFFAOYSA-N -1 0 331.328 2.251 20 5 EEBDRM O=C([N-]S(=O)(=O)C1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000754742574 577811857 /nfs/dbraw/zinc/81/18/57/577811857.db2.gz ASUQIXCKLRAAMM-UHFFFAOYSA-N -1 0 337.357 2.078 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H](C)c1ccco1 ZINC000744041690 577892463 /nfs/dbraw/zinc/89/24/63/577892463.db2.gz YTRAXMOWVBKQCS-SNVBAGLBSA-N -1 0 338.341 2.105 20 5 EEBDRM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000749078104 577970884 /nfs/dbraw/zinc/97/08/84/577970884.db2.gz VJJYGLGPOYWEHT-SNVBAGLBSA-N -1 0 346.430 2.177 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C)NC(=O)[O-] ZINC000738863592 578029168 /nfs/dbraw/zinc/02/91/68/578029168.db2.gz BXPBSFDNBILCNS-VIFPVBQESA-N -1 0 326.305 2.081 20 5 EEBDRM O=C([O-])c1cc(NC(=O)CN2CCCCCCC2=O)cc([N+](=O)[O-])c1 ZINC000739285623 578046844 /nfs/dbraw/zinc/04/68/44/578046844.db2.gz HRXBSCBAIVVFPS-UHFFFAOYSA-N -1 0 349.343 2.024 20 5 EEBDRM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736219139 578187892 /nfs/dbraw/zinc/18/78/92/578187892.db2.gz WUEWOAFXRKHSMC-SMDDNHRTSA-N -1 0 347.371 2.109 20 5 EEBDRM CC(C)n1ccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000736532585 578209790 /nfs/dbraw/zinc/20/97/90/578209790.db2.gz UFWCEWOPHSNBSY-UHFFFAOYSA-N -1 0 333.300 2.427 20 5 EEBDRM C[C@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)N1CCC(C)CC1 ZINC000736791492 578223846 /nfs/dbraw/zinc/22/38/46/578223846.db2.gz OBZHZSWIGMNDPY-NSHDSACASA-N -1 0 336.344 2.319 20 5 EEBDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc([N+](=O)[O-])o2)c1OC ZINC000737855717 578271248 /nfs/dbraw/zinc/27/12/48/578271248.db2.gz PJYYZTIBNHXRRI-UHFFFAOYSA-N -1 0 336.256 2.156 20 5 EEBDRM COC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000831316391 600945622 /nfs/dbraw/zinc/94/56/22/600945622.db2.gz WUBVIOLOHNASAD-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM Cc1c(C(=O)[O-])sc2nc(C)nc(-n3ccc(=O)c([N+](=O)[O-])c3)c12 ZINC000832993509 600998821 /nfs/dbraw/zinc/99/88/21/600998821.db2.gz YUQPFXPMHWGIBB-UHFFFAOYSA-N -1 0 346.324 2.065 20 5 EEBDRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000833188892 601149132 /nfs/dbraw/zinc/14/91/32/601149132.db2.gz JHHOCNZTOMQUFD-SECBINFHSA-N -1 0 343.133 2.047 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000830390300 601460641 /nfs/dbraw/zinc/46/06/41/601460641.db2.gz DVHPTFNRAUIUQL-UHFFFAOYSA-N -1 0 334.284 2.388 20 5 EEBDRM NC(=O)c1ccc(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000833086036 604271073 /nfs/dbraw/zinc/27/10/73/604271073.db2.gz ZZGOXTGQGUZAHR-UHFFFAOYSA-N -1 0 339.691 2.250 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000827007218 604432455 /nfs/dbraw/zinc/43/24/55/604432455.db2.gz VZUZWZQPXBRSDR-ZDUSSCGKSA-N -1 0 349.343 2.026 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000827097643 604840711 /nfs/dbraw/zinc/84/07/11/604840711.db2.gz VOSQRHMKOKFALB-UHFFFAOYSA-N -1 0 348.315 2.157 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000828797185 604933170 /nfs/dbraw/zinc/93/31/70/604933170.db2.gz XHWWSKYXYGBPIS-UHFFFAOYSA-N -1 0 326.353 2.205 20 5 EEBDRM CC(=O)c1ccc(OCc2noc(CCCC(=O)[O-])n2)c([N+](=O)[O-])c1 ZINC000833401311 604991079 /nfs/dbraw/zinc/99/10/79/604991079.db2.gz IGNRHZPQZBENQD-UHFFFAOYSA-N -1 0 349.299 2.167 20 5 EEBDRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1[N+](=O)[O-] ZINC000833520489 605052436 /nfs/dbraw/zinc/05/24/36/605052436.db2.gz CZZNOEKFVGJGMV-VIFPVBQESA-N -1 0 333.300 2.446 20 5 EEBDRM CC(C)(C)C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833428686 605235534 /nfs/dbraw/zinc/23/55/34/605235534.db2.gz WRROUWSYJUBVRS-LBPRGKRZSA-N -1 0 325.317 2.406 20 5 EEBDRM C[C@@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000833525658 605420519 /nfs/dbraw/zinc/42/05/19/605420519.db2.gz QSQYCBFUMCQQQH-ONRRBMGISA-N -1 0 343.343 2.403 20 5 EEBDRM O=C([O-])N1CCC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000831984881 605626807 /nfs/dbraw/zinc/62/68/07/605626807.db2.gz DMVXUVWWNLMPBL-QMMMGPOBSA-N -1 0 345.153 2.307 20 5 EEBDRM Cc1c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cccc1-c1nn[nH]n1 ZINC000826242189 609162989 /nfs/dbraw/zinc/16/29/89/609162989.db2.gz DRUVABJCADVTNT-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[C@H]1C1CC1 ZINC000176115833 676871130 /nfs/dbraw/zinc/87/11/30/676871130.db2.gz UZJFLCKPMFBIDH-IUCAKERBSA-N -1 0 344.776 2.099 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC(F)(F)F)cc1F ZINC000866895145 685693005 /nfs/dbraw/zinc/69/30/05/685693005.db2.gz DYZNWVRDHKLLHY-UHFFFAOYSA-N -1 0 330.259 2.273 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000263330391 689706150 /nfs/dbraw/zinc/70/61/50/689706150.db2.gz LJOMXQXHAJBTPB-ZYHUDNBSSA-N -1 0 347.371 2.352 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000263399861 689788218 /nfs/dbraw/zinc/78/82/18/689788218.db2.gz ZVNWFFZGGATWCB-IUCAKERBSA-N -1 0 326.736 2.431 20 5 EEBDRM CCOC(=O)c1ccnc(NC(C)(C)CCC(=O)[O-])c1[N+](=O)[O-] ZINC000263424468 689825084 /nfs/dbraw/zinc/82/50/84/689825084.db2.gz QQFGACUGAWSPCV-UHFFFAOYSA-N -1 0 325.321 2.222 20 5 EEBDRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000130918604 1202006618 /nfs/dbraw/zinc/00/66/18/1202006618.db2.gz XPFUPFKSQDOKGA-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000194723851 1211260252 /nfs/dbraw/zinc/26/02/52/1211260252.db2.gz HXGZERHIGAZZIN-UHFFFAOYSA-N -1 0 348.315 2.478 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000796227113 1215562011 /nfs/dbraw/zinc/56/20/11/1215562011.db2.gz OBBMTXZCIUTHHF-ZCFIWIBFSA-N -1 0 349.340 2.369 20 5 EEBDRM C/C(=C/C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000119972331 1229640938 /nfs/dbraw/zinc/64/09/38/1229640938.db2.gz RCTWGIZHZIDLMY-FPLPWBNLSA-N -1 0 344.776 2.409 20 5 EEBDRM C[C@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850887801 1277381589 /nfs/dbraw/zinc/38/15/89/1277381589.db2.gz BQJWMGWEBXDQAN-CBFJXKFUSA-N -1 0 342.348 2.285 20 5 EEBDRM C[C@@H](COc1ccccc1)OCCCOc1[n-]c(=O)ncc1[N+](=O)[O-] ZINC001226333591 1301362517 /nfs/dbraw/zinc/36/25/17/1301362517.db2.gz BBWWCJZONRAFBQ-LBPRGKRZSA-N -1 0 349.343 2.343 20 5 EEBDRM O=c1ncc([N+](=O)[O-])c(OC[C@@H]2CCC(c3ccccc3)=NO2)[n-]1 ZINC001226335151 1301363137 /nfs/dbraw/zinc/36/31/37/1301363137.db2.gz DNNLARCMOUOVEU-NSHDSACASA-N -1 0 330.300 2.053 20 5 EEBDRM CCC[C@@H](Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-])[C@H](C)CC ZINC001226651974 1301494555 /nfs/dbraw/zinc/49/45/55/1301494555.db2.gz KUEWFLCZKHPBAF-RKDXNWHRSA-N -1 0 327.337 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC001226651706 1301494664 /nfs/dbraw/zinc/49/46/64/1301494664.db2.gz HPKFKRFTLMZIQG-ZDUSSCGKSA-N -1 0 345.311 2.407 20 5 EEBDRM CCC[C@@H](Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-])C(C)(C)C ZINC001226653635 1301495777 /nfs/dbraw/zinc/49/57/77/1301495777.db2.gz XBXHQIAUZSRQSQ-MRVPVSSYSA-N -1 0 327.337 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2C[C@@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001226653808 1301495875 /nfs/dbraw/zinc/49/58/75/1301495875.db2.gz ZOUSVTDWISDMFJ-XHNCKOQMSA-N -1 0 325.321 2.081 20 5 EEBDRM COC[C@H](C)OC[C@@H](C)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095387 1301686131 /nfs/dbraw/zinc/68/61/31/1301686131.db2.gz HMJGJPFOMCKNEC-VHSXEESVSA-N -1 0 337.332 2.062 20 5 EEBDRM COC(=O)C1CCC(Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228603458 1302331853 /nfs/dbraw/zinc/33/18/53/1302331853.db2.gz JPGAJNMCPOQNIR-UHFFFAOYSA-N -1 0 337.332 2.078 20 5 EEBDRM COC(=O)C[C@@H](C)Oc1[n-]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228687187 1302380071 /nfs/dbraw/zinc/38/00/71/1302380071.db2.gz USYTYJCHGOFHAG-SNVBAGLBSA-N -1 0 342.355 2.226 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(OC[C@@H]2CCC(C)(C)O2)cc1[O-] ZINC001228808740 1302457791 /nfs/dbraw/zinc/45/77/91/1302457791.db2.gz DCQUMUVSMDCRIP-VIFPVBQESA-N -1 0 325.317 2.423 20 5 EEBDRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000781460601 1303801875 /nfs/dbraw/zinc/80/18/75/1303801875.db2.gz JWRKTVUKKBZYES-UHFFFAOYSA-N -1 0 344.392 2.149 20 5 EEBDRM CC/C(C)=C/C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842404250 1315698137 /nfs/dbraw/zinc/69/81/37/1315698137.db2.gz WOONGGDGMDOUSM-CSKARUKUSA-N -1 0 326.374 2.206 20 5 EEBDRM O=c1c(-c2nnc(C3CCOCC3)o2)c[n-]c2ccc([N+](=O)[O-])cc21 ZINC001255654993 1318506112 /nfs/dbraw/zinc/50/61/12/1318506112.db2.gz DKEFFZYVAOWGIH-UHFFFAOYSA-N -1 0 342.311 2.380 20 5 EEBDRM O=C([O-])c1ccc(CO[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC001205691546 1323247689 /nfs/dbraw/zinc/24/76/89/1323247689.db2.gz YHPTZJFEHVFKTC-HNNXBMFYSA-N -1 0 343.339 2.484 20 5 EEBDRM COC(=O)c1cc2cc(N)cnc2n1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394590 1325262847 /nfs/dbraw/zinc/26/28/47/1325262847.db2.gz ZMCOBXAQRKRTOK-UHFFFAOYSA-N -1 0 328.284 2.008 20 5 EEBDRM O=C([O-])[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[C@H]1CCOC1 ZINC001608543166 1351713120 /nfs/dbraw/zinc/71/31/20/1351713120.db2.gz KSMZMJOSUVMZMV-WCQYABFASA-N -1 0 331.328 2.292 20 5 EEBDRM C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C(C)(C)C ZINC001604191598 1350890071 /nfs/dbraw/zinc/89/00/71/1350890071.db2.gz QEAKXQXYFZIHEA-SECBINFHSA-N -1 0 344.389 2.254 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001608271367 1351660219 /nfs/dbraw/zinc/66/02/19/1351660219.db2.gz PJWULBJPHUDLMU-UHFFFAOYSA-N -1 0 337.238 2.406 20 5 EEBDRM CSc1cccc(C(=O)[N-]S(=O)(=O)C(C)(C)C)c1[N+](=O)[O-] ZINC001327865043 1334356896 /nfs/dbraw/zinc/35/68/96/1334356896.db2.gz CJFVDCMYLAFTMA-UHFFFAOYSA-N -1 0 332.403 2.175 20 5 EEBDRM CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(C)(C)CC(=O)[O-] ZINC001334647925 1336278978 /nfs/dbraw/zinc/27/89/78/1336278978.db2.gz XLISBHCDUMWTIB-UHFFFAOYSA-N -1 0 346.343 2.106 20 5 EEBDRM CC(C)(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C1CCC1 ZINC001609681157 1352057924 /nfs/dbraw/zinc/05/79/24/1352057924.db2.gz OGTSYEWTPJNSTM-UHFFFAOYSA-N -1 0 342.373 2.150 20 5 EEBDRM CC(C)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1=O ZINC001609706948 1352064336 /nfs/dbraw/zinc/06/43/36/1352064336.db2.gz WTXPHCVKWYZRJH-UHFFFAOYSA-N -1 0 341.751 2.003 20 5 EEBDRM CCNc1ccc(C(=O)OCc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001610010783 1352140180 /nfs/dbraw/zinc/14/01/80/1352140180.db2.gz RDBCPFABVIQQPT-UHFFFAOYSA-N -1 0 345.311 2.477 20 5 EEBDRM COC(=O)c1ccc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001610209091 1352186102 /nfs/dbraw/zinc/18/61/02/1352186102.db2.gz AJORFFCARVBGBJ-UHFFFAOYSA-N -1 0 345.311 2.395 20 5 EEBDRM CO[C@H](C)[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001610225037 1352189884 /nfs/dbraw/zinc/18/98/84/1352189884.db2.gz HRSPIGWCQCZTAR-RKDXNWHRSA-N -1 0 325.321 2.146 20 5 EEBDRM CC1(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC000847892589 1338365943 /nfs/dbraw/zinc/36/59/43/1338365943.db2.gz FMIGUYSXWRIETM-UHFFFAOYSA-N -1 0 341.389 2.155 20 5 EEBDRM COc1c(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cccc1[N+](=O)[O-] ZINC001610276913 1352198404 /nfs/dbraw/zinc/19/84/04/1352198404.db2.gz KWAWHXQIWAVNTE-ZDUSSCGKSA-N -1 0 348.286 2.298 20 5 EEBDRM COc1cc([C@H]2C(C(=O)[O-])=C(C)N(C)C(=O)N2C)ccc1[N+](=O)[O-] ZINC001610290681 1352200572 /nfs/dbraw/zinc/20/05/72/1352200572.db2.gz AWOHJYINFXXBQK-ZDUSSCGKSA-N -1 0 335.316 2.000 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)c2nnc(C(C)C)[nH]2)n1 ZINC001610437851 1352222388 /nfs/dbraw/zinc/22/23/88/1352222388.db2.gz XDHYRHUSYRPCLN-QMMMGPOBSA-N -1 0 334.336 2.411 20 5 EEBDRM Cc1ccccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001610533413 1352240336 /nfs/dbraw/zinc/24/03/36/1352240336.db2.gz LZEKKPGXADLBPQ-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cn1c(=O)ccc2ccc(Nc3nc(C(=O)[O-])ccc3[N+](=O)[O-])cc21 ZINC001610595299 1352250937 /nfs/dbraw/zinc/25/09/37/1352250937.db2.gz HQOLAKQLSSYUDC-UHFFFAOYSA-N -1 0 340.295 2.284 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001610672668 1352259242 /nfs/dbraw/zinc/25/92/42/1352259242.db2.gz NQZKFSNXLYCQFW-MNOVXSKESA-N -1 0 338.385 2.447 20 5 EEBDRM O=C([O-])c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1F ZINC001610671986 1352259318 /nfs/dbraw/zinc/25/93/18/1352259318.db2.gz ZLUFJALEVILEBZ-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM O=C([O-])C1(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC1 ZINC001574813762 1343704275 /nfs/dbraw/zinc/70/42/75/1343704275.db2.gz SQODARSLEWFPIG-UHFFFAOYSA-N -1 0 332.234 2.351 20 5 EEBDRM O=c1c2ccccc2c(-c2nnn[n-]2)cn1Cc1ccccc1[N+](=O)[O-] ZINC001582806526 1344794473 /nfs/dbraw/zinc/79/44/73/1344794473.db2.gz PKINIEJJCQZAEX-UHFFFAOYSA-N -1 0 348.322 2.138 20 5 EEBDRM Cc1ccc(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)cc1[N+](=O)[O-] ZINC001594347496 1349875946 /nfs/dbraw/zinc/87/59/46/1349875946.db2.gz RTTHLIKNSJRFRT-UIORMTCPSA-N -1 0 348.355 2.045 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2CCOC[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041647 1349960695 /nfs/dbraw/zinc/96/06/95/1349960695.db2.gz RNWLXBIYKITKAU-LDYMZIIASA-N -1 0 337.332 2.148 20 5 EEBDRM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC001600087071 1349968748 /nfs/dbraw/zinc/96/87/48/1349968748.db2.gz ADQYCDHQRHKGQY-KRWDZBQOSA-N -1 0 343.339 2.336 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCCN2CC(F)F)n1 ZINC001600107202 1349972573 /nfs/dbraw/zinc/97/25/73/1349972573.db2.gz RNOACNLSVRDZGW-SECBINFHSA-N -1 0 344.318 2.138 20 5 EEBDRM Cc1cc(NCCCOc2ncccn2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600281190 1350010153 /nfs/dbraw/zinc/01/01/53/1350010153.db2.gz UJFHQJKBCSEFSJ-UHFFFAOYSA-N -1 0 332.316 2.272 20 5 EEBDRM Cc1cc(OCC(=O)NCC2(C(=O)[O-])CCCC2)ccc1[N+](=O)[O-] ZINC001600288370 1350012033 /nfs/dbraw/zinc/01/20/33/1350012033.db2.gz GKKKLNGRJHLMFN-UHFFFAOYSA-N -1 0 336.344 2.043 20 5 EEBDRM Cc1nccc([C@@H]2CCCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001600748721 1350127295 /nfs/dbraw/zinc/12/72/95/1350127295.db2.gz GHDXLKHZAQROOM-LLVKDONJSA-N -1 0 343.343 2.170 20 5 EEBDRM Cn1cc(C(=O)OC2CC(C(=O)[O-])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001600941165 1350173276 /nfs/dbraw/zinc/17/32/76/1350173276.db2.gz LFCJYGHMXACPAB-UHFFFAOYSA-N -1 0 345.311 2.015 20 5 EEBDRM O=C([O-])[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001601345342 1350262594 /nfs/dbraw/zinc/26/25/94/1350262594.db2.gz CBSCENHMRLUKPX-HNNXBMFYSA-N -1 0 331.280 2.343 20 5 EEBDRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001601406730 1350276749 /nfs/dbraw/zinc/27/67/49/1350276749.db2.gz PEYVORZWTFCKCY-QMMMGPOBSA-N -1 0 346.217 2.476 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC001601899192 1350392923 /nfs/dbraw/zinc/39/29/23/1350392923.db2.gz APJLMEUJKIUAJJ-LLVKDONJSA-N -1 0 344.726 2.299 20 5 EEBDRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001602105483 1350438760 /nfs/dbraw/zinc/43/87/60/1350438760.db2.gz OCFHYRPABBQKCB-ZGKBOVNRSA-N -1 0 332.356 2.458 20 5 EEBDRM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001602172012 1350456855 /nfs/dbraw/zinc/45/68/55/1350456855.db2.gz BOMDLTPWDDHCPN-VIFPVBQESA-N -1 0 334.662 2.183 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001602217512 1350468869 /nfs/dbraw/zinc/46/88/69/1350468869.db2.gz JSKSOQAHNRNDTK-MCIONIFRSA-N -1 0 332.356 2.412 20 5 EEBDRM O=C([O-])c1cc(-c2ccnc(N3CCOCC3)c2)cc([N+](=O)[O-])c1 ZINC001602236170 1350473272 /nfs/dbraw/zinc/47/32/72/1350473272.db2.gz BICLAVKNIKHRFW-UHFFFAOYSA-N -1 0 329.312 2.192 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCOC23CCCC3)cc([N+](=O)[O-])c1 ZINC001602247300 1350476016 /nfs/dbraw/zinc/47/60/16/1350476016.db2.gz XLKPKSCXPWFXBZ-CYBMUJFWSA-N -1 0 334.328 2.125 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(C[C@@H]2CC[C@H](c3ccccc3)O2)c1=O ZINC001602300786 1350488357 /nfs/dbraw/zinc/48/83/57/1350488357.db2.gz VVOIEJIZYFIDNP-DZGCQCFKSA-N -1 0 344.323 2.375 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@H](O)Cc3ccccc32)c1 ZINC001602404976 1350512022 /nfs/dbraw/zinc/51/20/22/1350512022.db2.gz LBEAPWARIQIJSN-CQSZACIVSA-N -1 0 328.324 2.217 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2(O)Cc3ccccc3C2)c1 ZINC001602405143 1350512093 /nfs/dbraw/zinc/51/20/93/1350512093.db2.gz MJGLMZZTKBPVAA-UHFFFAOYSA-N -1 0 328.324 2.235 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2cnn(Cc3ccccn3)c2)n1 ZINC001602407906 1350512786 /nfs/dbraw/zinc/51/27/86/1350512786.db2.gz IUSXZDPVBMDZAR-UHFFFAOYSA-N -1 0 340.299 2.071 20 5 EEBDRM O=C([O-])c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)c1 ZINC001602452786 1350522357 /nfs/dbraw/zinc/52/23/57/1350522357.db2.gz STSPETCWRKJCOF-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1cccc(OS(=O)(=O)CC2CCCC2)c1[N+](=O)[O-] ZINC001602453007 1350522367 /nfs/dbraw/zinc/52/23/67/1350522367.db2.gz WEGKPGAINWXVPK-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM O=C([O-])c1cnc(N[C@@H]2CCCN(CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001602531648 1350539824 /nfs/dbraw/zinc/53/98/24/1350539824.db2.gz RZRXNJABZOJXIP-SECBINFHSA-N -1 0 348.281 2.127 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001602618928 1350558987 /nfs/dbraw/zinc/55/89/87/1350558987.db2.gz KUUBYGHZSNZGHR-UHFFFAOYSA-N -1 0 326.648 2.291 20 5 EEBDRM C[C@H](CC(=O)[O-])C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001604095195 1350855026 /nfs/dbraw/zinc/85/50/26/1350855026.db2.gz QWWJCCVSNLPSJO-SSDOTTSWSA-N -1 0 345.149 2.084 20 5 EEBDRM C[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1 ZINC001604184133 1350887352 /nfs/dbraw/zinc/88/73/52/1350887352.db2.gz UBQJDEGSDZJPEX-JTQLQIEISA-N -1 0 329.312 2.222 20 5 EEBDRM CCOc1ccc(C(=O)Nc2ncc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC001605680499 1351215426 /nfs/dbraw/zinc/21/54/26/1351215426.db2.gz GGJRUDVPEUWVSW-UHFFFAOYSA-N -1 0 337.313 2.401 20 5 EEBDRM Cc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)cc1[N+](=O)[O-] ZINC001605870420 1351242766 /nfs/dbraw/zinc/24/27/66/1351242766.db2.gz GEIWQDJRGXDIOT-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM CCc1oc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001605892084 1351248365 /nfs/dbraw/zinc/24/83/65/1351248365.db2.gz NDHGKNWXFDKXIT-KRWDZBQOSA-N -1 0 348.355 2.446 20 5 EEBDRM CCn1cnnc1CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001605933035 1351256129 /nfs/dbraw/zinc/25/61/29/1351256129.db2.gz VWDBMPYHUGNXPH-UHFFFAOYSA-N -1 0 339.739 2.212 20 5 EEBDRM CSCC[C@@H](OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001607398214 1351487543 /nfs/dbraw/zinc/48/75/43/1351487543.db2.gz DHHNMAFBQVDINS-YNEHKIRRSA-N -1 0 339.369 2.448 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC3(CCOCC3)[C@H]2C2CC2)n1 ZINC001607588812 1351520449 /nfs/dbraw/zinc/52/04/49/1351520449.db2.gz BEHIUVOSVAZFFZ-CQSZACIVSA-N -1 0 347.371 2.392 20 5 EEBDRM Cc1cc(N(C)[C@H]2CCCCN(C)C2=O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607670254 1351536784 /nfs/dbraw/zinc/53/67/84/1351536784.db2.gz URQSYZIVOVRRHQ-ZDUSSCGKSA-N -1 0 335.360 2.049 20 5 EEBDRM Cc1cc(NC(=O)N[C@]2(CC(=O)[O-])CCCOC2)ccc1[N+](=O)[O-] ZINC001607684705 1351539178 /nfs/dbraw/zinc/53/91/78/1351539178.db2.gz QSPZKLNGOAMRHO-HNNXBMFYSA-N -1 0 337.332 2.049 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)c1 ZINC001607824728 1351565848 /nfs/dbraw/zinc/56/58/48/1351565848.db2.gz CEJVMBOIYXMNQZ-UHFFFAOYSA-N -1 0 333.300 2.255 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC001608379908 1351682632 /nfs/dbraw/zinc/68/26/32/1351682632.db2.gz ZRWFGNFMEYJKRY-UHFFFAOYSA-N -1 0 343.295 2.157 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC1 ZINC001608384855 1351683244 /nfs/dbraw/zinc/68/32/44/1351683244.db2.gz WCZGCGNCYWIIJB-AWEZNQCLSA-N -1 0 341.323 2.250 20 5 EEBDRM CO[C@@H]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC001606748227 1404810110 /nfs/dbraw/zinc/81/01/10/1404810110.db2.gz GAIUGTHHKAUHIH-IANUHJRKSA-N -1 0 348.355 2.089 20 5 EEBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000112493099 786063122 /nfs/dbraw/zinc/06/31/22/786063122.db2.gz LPMOCZCDEBRKHH-OFFHKIPUSA-N -1 0 340.401 2.490 20 5 EEBDRM O=C([O-])[C@@H]1CSCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000910320536 786650934 /nfs/dbraw/zinc/65/09/34/786650934.db2.gz RJPLDBNNTRSSPU-QMMMGPOBSA-N -1 0 348.327 2.450 20 5 EEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@H](C)CC ZINC000821603132 786817940 /nfs/dbraw/zinc/81/79/40/786817940.db2.gz LIONBHACZKJSNY-SNVBAGLBSA-N -1 0 343.405 2.268 20 5 EEBDRM CC(C)(C)[C@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1O ZINC000844213051 788931054 /nfs/dbraw/zinc/93/10/54/788931054.db2.gz FVEYBESJDCXVSN-SWLSCSKDSA-N -1 0 336.388 2.455 20 5 EEBDRM NCc1nccnc1[N-]c1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001171445187 796245303 /nfs/dbraw/zinc/24/53/03/796245303.db2.gz XFQZIZVEUQQIAG-UHFFFAOYSA-N -1 0 331.723 2.184 20 5 EEBDRM COCCCN(c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ncccc1N ZINC001174503008 797784124 /nfs/dbraw/zinc/78/41/24/797784124.db2.gz SCCOSIBBNFWAIA-UHFFFAOYSA-N -1 0 346.343 2.445 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc(N3CC[C@H](O)C3)nc2)cc1[N+](=O)[O-] ZINC001174503652 797784303 /nfs/dbraw/zinc/78/43/03/797784303.db2.gz FUVODIFZAOJXFI-LBPRGKRZSA-N -1 0 344.327 2.003 20 5 EEBDRM O=C([O-])c1ccc(Nc2ncccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC001174503878 797785043 /nfs/dbraw/zinc/78/50/43/797785043.db2.gz MNDPXIMRXRNPTM-UHFFFAOYSA-N -1 0 344.327 2.268 20 5 EEBDRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC001595024747 951332723 /nfs/dbraw/zinc/33/27/23/951332723.db2.gz KUODTPMJZHGHEF-JTQLQIEISA-N -1 0 344.327 2.002 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594665804 956573889 /nfs/dbraw/zinc/57/38/89/956573889.db2.gz ODQONDIGEZMGRA-CQSZACIVSA-N -1 0 341.323 2.001 20 5 EEBDRM COc1c(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001594045990 957923304 /nfs/dbraw/zinc/92/33/04/957923304.db2.gz KEVKRIADYOMFJT-CYBMUJFWSA-N -1 0 348.286 2.298 20 5 EEBDRM Cc1ccc(-c2noc(-c3cnc(C(=O)[O-])cn3)n2)cc1[N+](=O)[O-] ZINC001594337306 958274787 /nfs/dbraw/zinc/27/47/87/958274787.db2.gz PWBHCFQEAZIRQE-UHFFFAOYSA-N -1 0 327.256 2.108 20 5 EEBDRM C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001603227509 972346580 /nfs/dbraw/zinc/34/65/80/972346580.db2.gz RBOCASTVKUBDEA-NZVBXONLSA-N -1 0 347.371 2.408 20 5 EEBDRM Cc1cccc([C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001594397789 958787421 /nfs/dbraw/zinc/78/74/21/958787421.db2.gz ORUGFOJDJGEAHS-MRXNPFEDSA-N -1 0 328.324 2.388 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574321552 960823522 /nfs/dbraw/zinc/82/35/22/960823522.db2.gz AMBCVFIJEZCDAX-NEPJUHHUSA-N -1 0 336.344 2.420 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC001606545298 970309760 /nfs/dbraw/zinc/30/97/60/970309760.db2.gz WPUWSWPNXSBEGH-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM C[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001592728958 979239789 /nfs/dbraw/zinc/23/97/89/979239789.db2.gz JDMZBKIHMHJHEJ-MRVPVSSYSA-N -1 0 340.336 2.013 20 5 EEBDRM CC(C)(CCC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-])[N+](=O)[O-] ZINC001592845686 979615728 /nfs/dbraw/zinc/61/57/28/979615728.db2.gz DPKAKDISRDMGPL-MRXNPFEDSA-N -1 0 340.351 2.163 20 5 EEBDRM CC[C@](NC(=O)c1cc([N+](=O)[O-])ccc1N)(C(=O)[O-])c1ccccc1 ZINC001595266556 980280838 /nfs/dbraw/zinc/28/08/38/980280838.db2.gz ZGQPAUHAFHGGPS-QGZVFWFLSA-N -1 0 343.339 2.297 20 5 EEBDRM CC[C@H](C)C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC001594953129 982677701 /nfs/dbraw/zinc/67/77/01/982677701.db2.gz PZIVXOXQVJXUAX-CABZTGNLSA-N -1 0 344.389 2.300 20 5 EEBDRM CCCNC(=O)[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001595916061 983022047 /nfs/dbraw/zinc/02/20/47/983022047.db2.gz LBVHSPDLYDMQIC-GFCCVEGCSA-N -1 0 349.387 2.344 20 5 EEBDRM CCNc1ccc(C(=O)OCc2cccc(C(=O)[O-])n2)cc1[N+](=O)[O-] ZINC001596501136 984253148 /nfs/dbraw/zinc/25/31/48/984253148.db2.gz DOSDMXHCKLKLKW-UHFFFAOYSA-N -1 0 345.311 2.477 20 5 EEBDRM CCNc1nnc(Sc2ncc(C(=O)[O-])cc2[N+](=O)[O-])s1 ZINC001596509689 984273714 /nfs/dbraw/zinc/27/37/14/984273714.db2.gz VFRZADDFFGYYFF-UHFFFAOYSA-N -1 0 327.347 2.123 20 5 EEBDRM C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001599893919 984728834 /nfs/dbraw/zinc/72/88/34/984728834.db2.gz CRXWUSKFNGMWNO-NZVBXONLSA-N -1 0 347.371 2.408 20 5 EEBDRM CCO[C@H](C)c1noc(COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001596775595 985207105 /nfs/dbraw/zinc/20/71/05/985207105.db2.gz PYZGLJHVCSNMPW-MRVPVSSYSA-N -1 0 337.288 2.353 20 5 EEBDRM C[C@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC001599932276 985336397 /nfs/dbraw/zinc/33/63/97/985336397.db2.gz GJBVRGPKQAHFGB-CPCISQLKSA-N -1 0 334.250 2.292 20 5 EEBDRM C[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1C(=O)[O-] ZINC001599937165 985410042 /nfs/dbraw/zinc/41/00/42/985410042.db2.gz KCRKEPVYJFFHDF-LKFCYVNXSA-N -1 0 330.296 2.480 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001597400235 987661428 /nfs/dbraw/zinc/66/14/28/987661428.db2.gz WXFVBNFGFZUQKZ-MRVPVSSYSA-N -1 0 332.316 2.321 20 5 EEBDRM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001597500564 988056416 /nfs/dbraw/zinc/05/64/16/988056416.db2.gz PASBWAQTDXVRQD-OAHLLOKOSA-N -1 0 344.323 2.419 20 5 EEBDRM C[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC001599853793 989056229 /nfs/dbraw/zinc/05/62/29/989056229.db2.gz XQVCREQFZDKPKE-BXKDBHETSA-N -1 0 340.763 2.360 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)n1 ZINC001597899659 989771036 /nfs/dbraw/zinc/77/10/36/989771036.db2.gz OJKMXDJQXXVYBA-UHFFFAOYSA-N -1 0 347.327 2.393 20 5 EEBDRM CN(C)c1ncc(Cn2cc([N+](=O)[O-])c(C(=O)[O-])n2)c2ccccc21 ZINC001598359535 991492724 /nfs/dbraw/zinc/49/27/24/991492724.db2.gz VDVBJHYWUMDWIR-UHFFFAOYSA-N -1 0 341.327 2.152 20 5 EEBDRM CC(C)CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC001591197885 992022762 /nfs/dbraw/zinc/02/27/62/992022762.db2.gz SNARRAOZINIFBD-UHFFFAOYSA-N -1 0 342.373 2.150 20 5 EEBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC001593145283 993938918 /nfs/dbraw/zinc/93/89/18/993938918.db2.gz BTRSUVJTJXKIHI-ZUZCIYMTSA-N -1 0 344.323 2.145 20 5 EEBDRM C[C@@H](Sc1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593668344 996062837 /nfs/dbraw/zinc/06/28/37/996062837.db2.gz QSTBULKVDDBGSX-SNVBAGLBSA-N -1 0 338.385 2.399 20 5 EEBDRM C[C@@]1(Br)C[C@H]1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593739873 996355100 /nfs/dbraw/zinc/35/51/00/996355100.db2.gz MBDXXUBMODCXOJ-QPUJVOFHSA-N -1 0 344.117 2.372 20 5 EEBDRM COC(=O)CC[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598850838 996602238 /nfs/dbraw/zinc/60/22/38/996602238.db2.gz OMVVFTWVTVCGQZ-LLVKDONJSA-N -1 0 336.344 2.463 20 5 EEBDRM COC(=O)N1CCC(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001598880594 996805168 /nfs/dbraw/zinc/80/51/68/996805168.db2.gz UGRAMZCTBDYPBE-HWKANZROSA-N -1 0 349.343 2.335 20 5 EEBDRM COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2N)cc1[N+](=O)[O-] ZINC001599486251 996853768 /nfs/dbraw/zinc/85/37/68/996853768.db2.gz CETXFCGYIRWHML-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1cn(C)nc1[N+](=O)[O-] ZINC001599401205 997218586 /nfs/dbraw/zinc/21/85/86/997218586.db2.gz USMDRNVBJQNBIU-GQCTYLIASA-N -1 0 333.300 2.014 20 5 EEBDRM C[C@]1(C2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)COC(=O)N1 ZINC001593994478 997294928 /nfs/dbraw/zinc/29/49/28/997294928.db2.gz XEFAFBFTCOSZRJ-MRXNPFEDSA-N -1 0 349.343 2.008 20 5 EEBDRM COc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c([N+](=O)[O-])cc1F ZINC001599350677 998087979 /nfs/dbraw/zinc/08/79/79/998087979.db2.gz MBYHQCXZKYNWFU-MRVPVSSYSA-N -1 0 340.307 2.068 20 5 EEBDRM COc1cc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)ccc1[N+](=O)[O-] ZINC001599352849 998126341 /nfs/dbraw/zinc/12/63/41/998126341.db2.gz YEPCQJORNRDFRL-LBPRGKRZSA-N -1 0 336.325 2.221 20 5 EEBDRM COC(=O)c1cc(OCc2cccc(C(=O)[O-])n2)ccc1[N+](=O)[O-] ZINC001598951848 998168077 /nfs/dbraw/zinc/16/80/77/998168077.db2.gz MWYKCAPUROTMLK-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)CC(=O)[O-])cc1SC ZINC001599462034 998289443 /nfs/dbraw/zinc/28/94/43/998289443.db2.gz HQUMZJOXZWBILX-SSDOTTSWSA-N -1 0 329.330 2.345 20 5 EEBDRM COC[C@H](NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C(C)C ZINC001599171622 998616358 /nfs/dbraw/zinc/61/63/58/998616358.db2.gz VDNYSHMAXODWDC-LBPRGKRZSA-N -1 0 339.348 2.394 20 5 EEBDRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001594207040 998796353 /nfs/dbraw/zinc/79/63/53/998796353.db2.gz VTFZXZXASFCOAC-GHMZBOCLSA-N -1 0 336.344 2.074 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000262536577 304044135 /nfs/dbraw/zinc/04/41/35/304044135.db2.gz UKJSYVAXALBQJJ-UHFFFAOYSA-N -1 0 342.735 2.002 20 5 EEBDRM COCC[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262326104 244923934 /nfs/dbraw/zinc/92/39/34/244923934.db2.gz TYVJVAQHFPSNFQ-LBPRGKRZSA-N -1 0 338.360 2.112 20 5 EEBDRM CC(C)c1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)cc1[N+](=O)[O-] ZINC000262842313 245209048 /nfs/dbraw/zinc/20/90/48/245209048.db2.gz ATRXYUXXCSIVIJ-UHFFFAOYSA-N -1 0 332.316 2.252 20 5 EEBDRM C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[C@@H]1C(=O)[O-] ZINC000262855732 245216085 /nfs/dbraw/zinc/21/60/85/245216085.db2.gz DZGRUUWAVAHSAS-FZMZJTMJSA-N -1 0 345.355 2.119 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOC3(CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000263521754 304221918 /nfs/dbraw/zinc/22/19/18/304221918.db2.gz HOIVDQQFHXGHJZ-UHFFFAOYSA-N -1 0 348.355 2.468 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc([N+](=O)[O-])c1 ZINC000191670828 304222841 /nfs/dbraw/zinc/22/28/41/304222841.db2.gz LTDHWFLCOBZGBG-ARFHVFGLSA-N -1 0 338.319 2.361 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccnc(O[C@@H]2CCOC2)c1 ZINC000273292615 256284338 /nfs/dbraw/zinc/28/43/38/256284338.db2.gz CULLXBSBJGRPED-GFCCVEGCSA-N -1 0 345.311 2.115 20 5 EEBDRM COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273477539 256299583 /nfs/dbraw/zinc/29/95/83/256299583.db2.gz JZOHZXHENIAVAK-BZNIZROVSA-N -1 0 336.344 2.152 20 5 EEBDRM O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000120173121 142381770 /nfs/dbraw/zinc/38/17/70/142381770.db2.gz QPQHPLSTWSCHMN-GFCCVEGCSA-N -1 0 341.323 2.156 20 5 EEBDRM Cc1nccn1-c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cn1 ZINC000120367020 142387588 /nfs/dbraw/zinc/38/75/88/142387588.db2.gz IYCPUCRFDSZOMN-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM O=C([O-])[C@@H](CC(F)F)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000263017881 152357634 /nfs/dbraw/zinc/35/76/34/152357634.db2.gz NQSRZJZVSDDXRJ-SECBINFHSA-N -1 0 336.678 2.015 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000339599494 160852542 /nfs/dbraw/zinc/85/25/42/160852542.db2.gz CGQGRUMGRSBWJB-UHFFFAOYSA-N -1 0 341.352 2.491 20 5 EEBDRM COc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000342554475 161073643 /nfs/dbraw/zinc/07/36/43/161073643.db2.gz HTRQTURGOCLSJV-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCO[C@H]1c1ccncc1 ZINC000343882401 161177223 /nfs/dbraw/zinc/17/72/23/161177223.db2.gz UACIOUHXNFLQBK-DOMZBBRYSA-N -1 0 329.312 2.412 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000343884398 161177633 /nfs/dbraw/zinc/17/76/33/161177633.db2.gz RJFWVGSPVOOHPI-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000344449277 161228699 /nfs/dbraw/zinc/22/86/99/161228699.db2.gz XGOKNOGDZQOBRJ-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM COc1ccccc1S(=O)(=O)[N-]c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000135527712 292449252 /nfs/dbraw/zinc/44/92/52/292449252.db2.gz GCFPORMNQYTBQC-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cnnn1Cc1ccccc1 ZINC000354613771 162927720 /nfs/dbraw/zinc/92/77/20/162927720.db2.gz DACGOYVMYCYIBM-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C([O-])COc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000362796404 164798836 /nfs/dbraw/zinc/79/88/36/164798836.db2.gz UTTRDFXMVLJWDO-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000237587030 268658440 /nfs/dbraw/zinc/65/84/40/268658440.db2.gz URLVGIXKQHLQKH-CQSZACIVSA-N -1 0 347.302 2.383 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000272489792 268981809 /nfs/dbraw/zinc/98/18/09/268981809.db2.gz BZXLQGDBPQUPLG-QGZVFWFLSA-N -1 0 342.351 2.384 20 5 EEBDRM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000275175391 269100695 /nfs/dbraw/zinc/10/06/95/269100695.db2.gz WAGBITOEALJCKO-RNCFNFMXSA-N -1 0 344.389 2.023 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000291460301 275307437 /nfs/dbraw/zinc/30/74/37/275307437.db2.gz DEDQIPKDZQVEKR-SNVBAGLBSA-N -1 0 336.735 2.238 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263414902 295277378 /nfs/dbraw/zinc/27/73/78/295277378.db2.gz NOIZELDAYSNCHW-MRXNPFEDSA-N -1 0 331.328 2.453 20 5 EEBDRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330809498 311788371 /nfs/dbraw/zinc/78/83/71/311788371.db2.gz BCEYYQGFPURHKD-VXGBXAGGSA-N -1 0 349.387 2.376 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000057710743 441129942 /nfs/dbraw/zinc/12/99/42/441129942.db2.gz IVSAVLKKVMIJKP-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM C[C@@H](O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000421806890 314169141 /nfs/dbraw/zinc/16/91/41/314169141.db2.gz MZZLZARKSJAZMN-RNFRBKRXSA-N -1 0 348.258 2.013 20 5 EEBDRM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000436675377 314986923 /nfs/dbraw/zinc/98/69/23/314986923.db2.gz VEHDRESGTRKZKP-UHFFFAOYSA-N -1 0 332.312 2.248 20 5 EEBDRM COc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436750607 314994827 /nfs/dbraw/zinc/99/48/27/314994827.db2.gz OBSZLOOLCXSKNF-UHFFFAOYSA-N -1 0 332.312 2.118 20 5 EEBDRM COCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCSC1 ZINC000436810934 315000858 /nfs/dbraw/zinc/00/08/58/315000858.db2.gz SWFVVHYOCNFSDY-LBPRGKRZSA-N -1 0 340.401 2.285 20 5 EEBDRM COc1ccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436868571 315007826 /nfs/dbraw/zinc/00/78/26/315007826.db2.gz ISBCKIGHKAILLR-UHFFFAOYSA-N -1 0 346.339 2.460 20 5 EEBDRM COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000436971459 315017912 /nfs/dbraw/zinc/01/79/12/315017912.db2.gz IZNHOGRNZKJZNH-CYBMUJFWSA-N -1 0 342.307 2.217 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(O)c1 ZINC000442837913 315215213 /nfs/dbraw/zinc/21/52/13/315215213.db2.gz REQKDGAICKACMI-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C(Nc1ccc(OC2COC2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000444527797 315305765 /nfs/dbraw/zinc/30/57/65/315305765.db2.gz ULXCNJGSAUYSJJ-UHFFFAOYSA-N -1 0 330.296 2.330 20 5 EEBDRM COC(=O)NCc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000495507554 315983885 /nfs/dbraw/zinc/98/38/85/315983885.db2.gz FKKROAUJFPTSKZ-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM Cc1cc(N2CC[S@@](=O)C(C)(C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000514938078 316441845 /nfs/dbraw/zinc/44/18/45/316441845.db2.gz BCGDBOZJLDUNFD-HSZRJFAPSA-N -1 0 340.401 2.339 20 5 EEBDRM CCc1nnc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000563959406 319059717 /nfs/dbraw/zinc/05/97/17/319059717.db2.gz HPIXWIUPJYCUCI-UHFFFAOYSA-N -1 0 342.764 2.298 20 5 EEBDRM CN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1(C)C ZINC000564224246 319073506 /nfs/dbraw/zinc/07/35/06/319073506.db2.gz JGPKUBTXAMWQEY-UHFFFAOYSA-N -1 0 327.768 2.120 20 5 EEBDRM O=C(NCC1CCN(CC(F)F)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000566461997 319291156 /nfs/dbraw/zinc/29/11/56/319291156.db2.gz LCDXCBLXIJDERQ-UHFFFAOYSA-N -1 0 343.330 2.007 20 5 EEBDRM CCOC(=O)C[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000573970367 319982965 /nfs/dbraw/zinc/98/29/65/319982965.db2.gz YLCORWKEDJIKPD-SSDOTTSWSA-N -1 0 330.724 2.025 20 5 EEBDRM COCCOCCCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578325231 320307839 /nfs/dbraw/zinc/30/78/39/320307839.db2.gz ICWBFYSIGGKHOX-UHFFFAOYSA-N -1 0 346.767 2.127 20 5 EEBDRM O=C([O-])Cc1ccc(NCCCOC[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000580569655 324090226 /nfs/dbraw/zinc/09/02/26/324090226.db2.gz ZWORHWJZDQDNEG-CYBMUJFWSA-N -1 0 338.360 2.077 20 5 EEBDRM O=C([O-])c1cc(N2CCCN(CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000582422976 324449784 /nfs/dbraw/zinc/44/97/84/324449784.db2.gz BHEHLZGBSISAID-UHFFFAOYSA-N -1 0 329.303 2.070 20 5 EEBDRM Cc1noc(C2(C)CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)n1 ZINC000358656234 465245607 /nfs/dbraw/zinc/24/56/07/465245607.db2.gz XJYZKLLKGJVEKD-UHFFFAOYSA-N -1 0 346.343 2.186 20 5 EEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(O)c1F ZINC000128720555 462666020 /nfs/dbraw/zinc/66/60/20/462666020.db2.gz CQUFTHKPCQLKJH-VIFPVBQESA-N -1 0 347.302 2.197 20 5 EEBDRM O=C(c1cnn(-c2ccc([N+](=O)[O-])cn2)c1)c1cc(F)ccc1[O-] ZINC000128948359 462681396 /nfs/dbraw/zinc/68/13/96/462681396.db2.gz IMEDAVKCUAQYGB-UHFFFAOYSA-N -1 0 328.259 2.251 20 5 EEBDRM Cc1noc(C)c1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000147469259 463394645 /nfs/dbraw/zinc/39/46/45/463394645.db2.gz MJCDRXIDMORYLK-UHFFFAOYSA-N -1 0 345.764 2.332 20 5 EEBDRM Cc1cc(NC[C@H](CO)Cc2ccco2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568637606 468366823 /nfs/dbraw/zinc/36/68/23/468366823.db2.gz UIJHWZSIYXABGS-LLVKDONJSA-N -1 0 334.328 2.458 20 5 EEBDRM CCCC[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000185001580 463734880 /nfs/dbraw/zinc/73/48/80/463734880.db2.gz SFMUOEYEUDMAAB-CQSZACIVSA-N -1 0 333.344 2.378 20 5 EEBDRM COCC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)[O-] ZINC000262270766 463987288 /nfs/dbraw/zinc/98/72/88/463987288.db2.gz GRCVSGGWSZDSMN-JTQLQIEISA-N -1 0 338.341 2.029 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262346369 464007404 /nfs/dbraw/zinc/00/74/04/464007404.db2.gz ANSNGCNDPQUGIF-SNVBAGLBSA-N -1 0 326.374 2.399 20 5 EEBDRM COc1cc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000262876262 464050895 /nfs/dbraw/zinc/05/08/95/464050895.db2.gz XCROWJSASSGKAW-BZNIZROVSA-N -1 0 336.344 2.367 20 5 EEBDRM CO[C@@]1(C)CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000263564358 464130039 /nfs/dbraw/zinc/13/00/39/464130039.db2.gz DWYIQEIBJDRVQZ-INIZCTEOSA-N -1 0 336.344 2.324 20 5 EEBDRM COC(=O)N[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000272091837 464476388 /nfs/dbraw/zinc/47/63/88/464476388.db2.gz LEHIODHTCXTPKS-JTQLQIEISA-N -1 0 345.739 2.273 20 5 EEBDRM CC(=O)c1ccc([O-])c(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000272307197 464557636 /nfs/dbraw/zinc/55/76/36/464557636.db2.gz YMQXMGMTSXHFFQ-UHFFFAOYSA-N -1 0 332.316 2.037 20 5 EEBDRM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182157652 464585647 /nfs/dbraw/zinc/58/56/47/464585647.db2.gz OJVTVAKVEJGVQV-DFBGVHRSSA-N -1 0 332.356 2.378 20 5 EEBDRM C[C@H](COCC1CC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000593859651 468410605 /nfs/dbraw/zinc/41/06/05/468410605.db2.gz WVFQAJNQFJIQHD-MRVPVSSYSA-N -1 0 328.752 2.499 20 5 EEBDRM CCOC(=O)c1cc(N2CCC[C@H](CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000568973787 468415138 /nfs/dbraw/zinc/41/51/38/468415138.db2.gz KLDVOHKXMSJXBI-LLVKDONJSA-N -1 0 336.344 2.463 20 5 EEBDRM Cn1nccc1[C@H]1CCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000282149785 464714685 /nfs/dbraw/zinc/71/46/85/464714685.db2.gz QHDPYJZATSWWAY-OAHLLOKOSA-N -1 0 330.344 2.401 20 5 EEBDRM Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184632153 465011721 /nfs/dbraw/zinc/01/17/21/465011721.db2.gz CGYMIDPTKPWPLY-UHFFFAOYSA-N -1 0 343.339 2.286 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc(C(F)(F)F)no1 ZINC000600030619 468439142 /nfs/dbraw/zinc/43/91/42/468439142.db2.gz RVWZIYMRVUHAFA-YFKPBYRVSA-N -1 0 346.221 2.193 20 5 EEBDRM COc1ccc(CSc2nc3[nH]ncc3c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000339921634 465605665 /nfs/dbraw/zinc/60/56/65/465605665.db2.gz ZRNPCDZLZDGHJL-UHFFFAOYSA-N -1 0 333.329 2.268 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000353113081 465647936 /nfs/dbraw/zinc/64/79/36/465647936.db2.gz SQENEAAWLKROFE-NEPJUHHUSA-N -1 0 349.387 2.114 20 5 EEBDRM CCn1c(=O)c2cc3ccccc3cc2nc1SCc1nnn[n-]1 ZINC000353189114 465704406 /nfs/dbraw/zinc/70/44/06/465704406.db2.gz WFZLPQPWVXAIGT-UHFFFAOYSA-N -1 0 338.396 2.375 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc([N+](=O)[O-])c1 ZINC000362497037 465783541 /nfs/dbraw/zinc/78/35/41/465783541.db2.gz HZWKQDJZBLDRQM-UHFFFAOYSA-N -1 0 341.279 2.040 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H](C2CC2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000597159482 468463065 /nfs/dbraw/zinc/46/30/65/468463065.db2.gz LXTAHMCLTAOCNN-JTQLQIEISA-N -1 0 332.234 2.364 20 5 EEBDRM Cc1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cn1 ZINC000361655231 466182287 /nfs/dbraw/zinc/18/22/87/466182287.db2.gz MPOGHKKFXOEDSV-UHFFFAOYSA-N -1 0 345.340 2.042 20 5 EEBDRM CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331975478 466329898 /nfs/dbraw/zinc/32/98/98/466329898.db2.gz XEBPPGUULPXSPC-USXIJHARSA-N -1 0 336.388 2.316 20 5 EEBDRM Cc1sc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000350511270 466522070 /nfs/dbraw/zinc/52/20/70/466522070.db2.gz FRYPZPUXHXDWEL-UHFFFAOYSA-N -1 0 342.402 2.298 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000347320161 466562176 /nfs/dbraw/zinc/56/21/76/466562176.db2.gz YRRPMCSVKNADJR-UHFFFAOYSA-N -1 0 331.712 2.005 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCCc2cccc(C(=O)[O-])c2)c1 ZINC000347403606 466614969 /nfs/dbraw/zinc/61/49/69/466614969.db2.gz SSBIFYMRPPLCMC-UHFFFAOYSA-N -1 0 344.323 2.274 20 5 EEBDRM C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000320966563 466615720 /nfs/dbraw/zinc/61/57/20/466615720.db2.gz NMKLADUCJWVXCG-QWRGUYRKSA-N -1 0 344.389 2.153 20 5 EEBDRM C[C@H](CCc1ccco1)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000321316220 466621557 /nfs/dbraw/zinc/62/15/57/466621557.db2.gz NGZCLBNIXFWUAY-SNVBAGLBSA-N -1 0 340.357 2.193 20 5 EEBDRM CC[C@H](C)[C@@H](NC(C)=O)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000354536492 466634118 /nfs/dbraw/zinc/63/41/18/466634118.db2.gz IYDSSGWXDNNHMT-JVXZTZIISA-N -1 0 343.767 2.443 20 5 EEBDRM COc1ccc(OCCN(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000427918179 467185922 /nfs/dbraw/zinc/18/59/22/467185922.db2.gz XJXUESREXXPKOP-UHFFFAOYSA-N -1 0 346.339 2.460 20 5 EEBDRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000432110897 467216261 /nfs/dbraw/zinc/21/62/61/467216261.db2.gz VNJGLUIKUNBGCJ-GFCCVEGCSA-N -1 0 331.328 2.129 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000390426580 467407834 /nfs/dbraw/zinc/40/78/34/467407834.db2.gz QSBCMLNKAVIKJX-SNVBAGLBSA-N -1 0 344.389 2.085 20 5 EEBDRM COC(=O)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000436502330 467541562 /nfs/dbraw/zinc/54/15/62/467541562.db2.gz DABVMHIKBQWRJG-UHFFFAOYSA-N -1 0 346.295 2.348 20 5 EEBDRM O=C(Nc1ccc(OCCCO)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436698646 467550891 /nfs/dbraw/zinc/55/08/91/467550891.db2.gz RCGGLRJBDNZRDA-UHFFFAOYSA-N -1 0 332.312 2.314 20 5 EEBDRM Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])nn1-c1ccccc1 ZINC000436768536 467554011 /nfs/dbraw/zinc/55/40/11/467554011.db2.gz WZDJEDFJENVFPK-UHFFFAOYSA-N -1 0 338.323 3.047 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)/C=C/C1CCCC1 ZINC000493117161 467844478 /nfs/dbraw/zinc/84/44/78/467844478.db2.gz CEOTZVLWUKXMOB-RMKNXTFCSA-N -1 0 338.385 2.455 20 5 EEBDRM O=C([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)s1 ZINC000516185068 468017817 /nfs/dbraw/zinc/01/78/17/468017817.db2.gz QBEFDOHODAOHJX-UHFFFAOYSA-N -1 0 334.357 2.076 20 5 EEBDRM C[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000520230311 468236116 /nfs/dbraw/zinc/23/61/16/468236116.db2.gz KNZCOSLIQIFHJA-PRHODGIISA-N -1 0 325.296 2.308 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccnc(OC(C)C)c2)n1 ZINC000578753295 468251727 /nfs/dbraw/zinc/25/17/27/468251727.db2.gz PXAJASGSPIRJPD-UHFFFAOYSA-N -1 0 346.343 2.791 20 5 EEBDRM O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC000600486591 468572393 /nfs/dbraw/zinc/57/23/93/468572393.db2.gz GPVAHSLZGIAPQK-UHFFFAOYSA-N -1 0 326.736 2.443 20 5 EEBDRM C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000594529627 468615876 /nfs/dbraw/zinc/61/58/76/468615876.db2.gz SLNHGZYDSYIDCD-ZETCQYMHSA-N -1 0 349.265 2.134 20 5 EEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H](C(=O)[O-])O1 ZINC000600677832 468618274 /nfs/dbraw/zinc/61/82/74/468618274.db2.gz BTONRAFBBRNYNZ-HQJQHLMTSA-N -1 0 334.250 2.292 20 5 EEBDRM Cn1[n-]c(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1=O ZINC000597723409 468651631 /nfs/dbraw/zinc/65/16/31/468651631.db2.gz JXXYRLIFQXBPGK-LBPRGKRZSA-N -1 0 330.344 2.054 20 5 EEBDRM C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000600800316 468660911 /nfs/dbraw/zinc/66/09/11/468660911.db2.gz KVXLRFZMGVMQAH-GWCFXTLKSA-N -1 0 347.371 2.034 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)C[C@H](OC)C(C)C ZINC000592381822 468686196 /nfs/dbraw/zinc/68/61/96/468686196.db2.gz GIPUTVPBSHBKKO-ZDUSSCGKSA-N -1 0 332.378 2.016 20 5 EEBDRM CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]2COC[C@@H]21 ZINC000592804034 468790888 /nfs/dbraw/zinc/79/08/88/468790888.db2.gz OOLUTPCLCFOFJP-CMPLNLGQSA-N -1 0 340.763 2.451 20 5 EEBDRM COc1cccc2c1CN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])CC2 ZINC000592973064 468831922 /nfs/dbraw/zinc/83/19/22/468831922.db2.gz SAYNDYHTPJQTRY-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCCO[C@H]2C(C)C)n1 ZINC000592977215 468832980 /nfs/dbraw/zinc/83/29/80/468832980.db2.gz SVNCTCLRDRCHFU-RISCZKNCSA-N -1 0 337.376 2.860 20 5 EEBDRM O=C([O-])c1ccnc(N2CC[C@@H](Oc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000592976926 468833004 /nfs/dbraw/zinc/83/30/04/468833004.db2.gz HAMAVBYZHOQKBN-GFCCVEGCSA-N -1 0 347.302 2.485 20 5 EEBDRM O=C([O-])c1cc(N[C@@H]2CCOC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000592977424 468833027 /nfs/dbraw/zinc/83/30/27/468833027.db2.gz BSJMOGWAHPTXMB-GFCCVEGCSA-N -1 0 336.344 2.433 20 5 EEBDRM Cc1nn(CCC(=O)Nc2ccccc2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000614539167 468968106 /nfs/dbraw/zinc/96/81/06/468968106.db2.gz ZQZNTLFFENZTMS-UHFFFAOYSA-N -1 0 332.316 2.135 20 5 EEBDRM COC(=O)c1cnc(NC[C@H](CC(=O)[O-])CC(C)C)c([N+](=O)[O-])c1 ZINC000595971483 469102782 /nfs/dbraw/zinc/10/27/82/469102782.db2.gz OKBBWKFRUXTGEI-JTQLQIEISA-N -1 0 339.348 2.325 20 5 EEBDRM COc1ccc2c(c1)CCN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000573982617 469241804 /nfs/dbraw/zinc/24/18/04/469241804.db2.gz SFKHXUPZZKFBHZ-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM CNc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000611463216 469253998 /nfs/dbraw/zinc/25/39/98/469253998.db2.gz BTWWDEMROUVXPY-KRWDZBQOSA-N -1 0 343.339 2.366 20 5 EEBDRM Cc1[nH]nc2ncc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc12 ZINC000738249731 578006109 /nfs/dbraw/zinc/00/61/09/578006109.db2.gz YXWGENVYSFAPSM-UHFFFAOYSA-N -1 0 341.283 2.125 20 5 EEBDRM Cc1cc(C(=O)Nc2cccc(OCC(=O)[O-])c2)c(N)c([N+](=O)[O-])c1 ZINC000738338992 578010074 /nfs/dbraw/zinc/01/00/74/578010074.db2.gz OHEHPAVXGLZYKA-UHFFFAOYSA-N -1 0 345.311 2.201 20 5 EEBDRM Cc1cc(S(=O)(=O)NCCCCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000738478956 576474836 /nfs/dbraw/zinc/47/48/36/576474836.db2.gz FYNUSMCDYBJFLA-UHFFFAOYSA-N -1 0 344.389 2.217 20 5 EEBDRM O=C([O-])CCCOC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000738582844 576612971 /nfs/dbraw/zinc/61/29/71/576612971.db2.gz QUOIQTNDOGSIRT-UHFFFAOYSA-N -1 0 336.344 2.219 20 5 EEBDRM CSC[C@@H](CCO)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000738188036 576719674 /nfs/dbraw/zinc/71/96/74/576719674.db2.gz VMGWNCZVAOEFHQ-JOAKQRRISA-N -1 0 326.374 2.219 20 5 EEBDRM O=C(NC[C@H]1COC2(CCCCC2)O1)c1cccc([N+](=O)[O-])c1[O-] ZINC000775838688 577446961 /nfs/dbraw/zinc/44/69/61/577446961.db2.gz JLXMLXFMTPKTHI-NSHDSACASA-N -1 0 336.344 2.106 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000777373344 577477496 /nfs/dbraw/zinc/47/74/96/577477496.db2.gz SWTRRSSIHQSOFN-UHFFFAOYSA-N -1 0 349.387 2.378 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000777535223 577480799 /nfs/dbraw/zinc/48/07/99/577480799.db2.gz WZFISYRXUWEPEJ-RFAUZJTJSA-N -1 0 334.303 2.291 20 5 EEBDRM CC(C)(C)OC(=O)N1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000765338284 577499488 /nfs/dbraw/zinc/49/94/88/577499488.db2.gz PMHXGZWWKJVSCV-UHFFFAOYSA-N -1 0 337.332 2.298 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC12CCC2 ZINC000759818467 577651147 /nfs/dbraw/zinc/65/11/47/577651147.db2.gz WQEQDPWXCMFAAT-SECBINFHSA-N -1 0 344.776 2.243 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000761645756 577687108 /nfs/dbraw/zinc/68/71/08/577687108.db2.gz ZOANDPYCQHMQKO-GFCCVEGCSA-N -1 0 326.736 2.160 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc([N+](=O)[O-])c1 ZINC000738670158 578023378 /nfs/dbraw/zinc/02/33/78/578023378.db2.gz UGRIWYBZZQHSOX-CQSZACIVSA-N -1 0 344.327 2.384 20 5 EEBDRM O=C(OC[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000739221996 578044410 /nfs/dbraw/zinc/04/44/10/578044410.db2.gz QRCVKZTVXABKGB-LLVKDONJSA-N -1 0 329.312 2.133 20 5 EEBDRM O=C([O-])N1CCC[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000739374601 578050891 /nfs/dbraw/zinc/05/08/91/578050891.db2.gz WDHBHPIOTDGHKO-LBPRGKRZSA-N -1 0 348.359 2.041 20 5 EEBDRM O=C([O-])C=Cc1ccc(N[C@H]2CCc3n[nH]cc3C2)c([N+](=O)[O-])c1 ZINC000739624883 578061382 /nfs/dbraw/zinc/06/13/82/578061382.db2.gz MMWYRTLSSRZJHM-DWMUBGRBSA-N -1 0 328.328 2.385 20 5 EEBDRM CC(C)Cn1ccnc1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736453353 578204629 /nfs/dbraw/zinc/20/46/29/578204629.db2.gz AYYPTUZPEBVMHD-UHFFFAOYSA-N -1 0 346.343 2.076 20 5 EEBDRM CC[C@@H](C)[C@](C)(O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736869343 578227533 /nfs/dbraw/zinc/22/75/33/578227533.db2.gz DMHVKAXUDYPMJP-XLKFXECMSA-N -1 0 341.320 2.410 20 5 EEBDRM CCc1ccc(OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000737267738 578247099 /nfs/dbraw/zinc/24/70/99/578247099.db2.gz IBDNKVSESZMTFT-BONVTDFDSA-N -1 0 338.360 2.152 20 5 EEBDRM CC(=O)Nc1cccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000737550039 578263610 /nfs/dbraw/zinc/26/36/10/578263610.db2.gz VKSDEXZLVYPMIO-UHFFFAOYSA-N -1 0 330.300 2.259 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000819385247 597052118 /nfs/dbraw/zinc/05/21/18/597052118.db2.gz JEWFUFAQTUYDHJ-JTQLQIEISA-N -1 0 333.344 2.171 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000819370734 597102499 /nfs/dbraw/zinc/10/24/99/597102499.db2.gz ODLZPZPZFALWRB-SNVBAGLBSA-N -1 0 331.328 2.403 20 5 EEBDRM O=C([O-])Cc1ccccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000821538238 598209364 /nfs/dbraw/zinc/20/93/64/598209364.db2.gz IIHULQBCIVVDED-UHFFFAOYSA-N -1 0 344.279 2.203 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000263218195 600746989 /nfs/dbraw/zinc/74/69/89/600746989.db2.gz JZWARGXENPSMBO-UHFFFAOYSA-N -1 0 335.360 2.080 20 5 EEBDRM Cc1ccsc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000832985659 600747174 /nfs/dbraw/zinc/74/71/74/600747174.db2.gz WXYMOOCVEMGAIQ-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM O=C([O-])c1ccc2nc(SCCn3cc([N+](=O)[O-])cn3)oc2c1 ZINC000833326535 600988021 /nfs/dbraw/zinc/98/80/21/600988021.db2.gz RQHNRABSMFIPHW-UHFFFAOYSA-N -1 0 334.313 2.423 20 5 EEBDRM O=C([O-])CN(C(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000833245071 601144201 /nfs/dbraw/zinc/14/42/01/601144201.db2.gz NVJZAKBXNFMVOS-UHFFFAOYSA-N -1 0 332.287 2.394 20 5 EEBDRM O=C([O-])CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000262450344 601330076 /nfs/dbraw/zinc/33/00/76/601330076.db2.gz HEVHJXSIIIDTFS-UHFFFAOYSA-N -1 0 342.735 2.002 20 5 EEBDRM CCOC(=O)c1cc(N2CCC(CC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000829873800 602089868 /nfs/dbraw/zinc/08/98/68/602089868.db2.gz UNFPMCYVEOGPTE-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCC3(CCC3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703425 602150226 /nfs/dbraw/zinc/15/02/26/602150226.db2.gz NMCCSLQFQHVWBY-LLVKDONJSA-N -1 0 347.371 2.178 20 5 EEBDRM Nc1c(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000833090980 602268185 /nfs/dbraw/zinc/26/81/85/602268185.db2.gz YOSUJOYHZNGXEP-ZDUSSCGKSA-N -1 0 334.259 2.299 20 5 EEBDRM CCc1nnc2n1C[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)CC2 ZINC000830338821 602315848 /nfs/dbraw/zinc/31/58/48/602315848.db2.gz CHIKHVCSHDWTCH-JTQLQIEISA-N -1 0 345.359 2.182 20 5 EEBDRM COC(=O)[C@H]1CC12CCN(c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)CC2 ZINC000831101146 602318189 /nfs/dbraw/zinc/31/81/89/602318189.db2.gz SSHGFQHRZIIELX-CYBMUJFWSA-N -1 0 348.355 2.381 20 5 EEBDRM CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC000830523754 602337666 /nfs/dbraw/zinc/33/76/66/602337666.db2.gz QJOVFAJVPJKLTE-UHFFFAOYSA-N -1 0 325.277 2.165 20 5 EEBDRM O=C([O-])[C@H]1CCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000821509532 604529747 /nfs/dbraw/zinc/52/97/47/604529747.db2.gz OPCHQXBNZPJXEJ-LLVKDONJSA-N -1 0 329.150 2.406 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000832957379 604595316 /nfs/dbraw/zinc/59/53/16/604595316.db2.gz BXJAVCNHVNOFDZ-GFCCVEGCSA-N -1 0 336.344 2.138 20 5 EEBDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000832236076 604841606 /nfs/dbraw/zinc/84/16/06/604841606.db2.gz WLDFDRPOGBBVOA-LLVKDONJSA-N -1 0 334.284 2.142 20 5 EEBDRM CC(C)C(=O)N[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833462900 605181688 /nfs/dbraw/zinc/18/16/88/605181688.db2.gz IIGVHLBITRFKAD-GFCCVEGCSA-N -1 0 335.360 2.034 20 5 EEBDRM COc1cc(NC2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])cc1OC ZINC000833730090 605208116 /nfs/dbraw/zinc/20/81/16/605208116.db2.gz VEIUJBAABZTUFC-UHFFFAOYSA-N -1 0 325.321 2.166 20 5 EEBDRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000833383899 605351794 /nfs/dbraw/zinc/35/17/94/605351794.db2.gz VQVQYSRXLINORU-SIFUEBAJSA-N -1 0 341.323 2.335 20 5 EEBDRM CC[C@H](C)[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261827849 681611611 /nfs/dbraw/zinc/61/16/11/681611611.db2.gz ABZPJMCQDZIGKT-XPTSAGLGSA-N -1 0 335.360 2.398 20 5 EEBDRM C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120623710 1198272656 /nfs/dbraw/zinc/27/26/56/1198272656.db2.gz XQNIHRMKLOWHNY-UWVGGRQHSA-N -1 0 344.364 2.365 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1(F)CCCCC1 ZINC000810537663 1199586469 /nfs/dbraw/zinc/58/64/69/1199586469.db2.gz BCIJLLSFERBYME-UHFFFAOYSA-N -1 0 348.327 2.211 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1(F)CCCCC1 ZINC000810657501 1199631336 /nfs/dbraw/zinc/63/13/36/1199631336.db2.gz JQPWBDBNFCHQLQ-UHFFFAOYSA-N -1 0 348.327 2.211 20 5 EEBDRM O=C([O-])[C@H]1CCCCCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000800020086 1202199764 /nfs/dbraw/zinc/19/97/64/1202199764.db2.gz OZVVIQYHGLFRKT-SNVBAGLBSA-N -1 0 348.402 2.064 20 5 EEBDRM CC(C)c1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)on1 ZINC000119765939 1229595620 /nfs/dbraw/zinc/59/56/20/1229595620.db2.gz URUZQDKFKMPDIA-UHFFFAOYSA-N -1 0 331.375 2.246 20 5 EEBDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000115924817 1294038714 /nfs/dbraw/zinc/03/87/14/1294038714.db2.gz HMFKXVTWIRIAQG-UHFFFAOYSA-N -1 0 348.380 2.259 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC001211196868 1295743252 /nfs/dbraw/zinc/74/32/52/1295743252.db2.gz HJSQQGMYPBNHNG-UHFFFAOYSA-N -1 0 333.275 2.292 20 5 EEBDRM COc1cc(OC)c(-c2noc(-c3cc([O-])ccc3[N+](=O)[O-])n2)cn1 ZINC001216682210 1297252706 /nfs/dbraw/zinc/25/27/06/1297252706.db2.gz IPNUQZADIUIVLN-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1ccc(S(=O)(=O)[O-])cc1)C2 ZINC001225511253 1301030381 /nfs/dbraw/zinc/03/03/81/1301030381.db2.gz GESDNVDGEOZMEN-AWEZNQCLSA-N -1 0 335.337 2.388 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(OC2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC001226018904 1301234994 /nfs/dbraw/zinc/23/49/94/1301234994.db2.gz WATJLTSMJIGXAI-UHFFFAOYSA-N -1 0 347.274 2.224 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(OC2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC001226650226 1301493534 /nfs/dbraw/zinc/49/35/34/1301493534.db2.gz SSTFXESGNHZNPJ-YUMQZZPRSA-N -1 0 325.321 2.081 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](C)CCc2ccccc2)c1[N+](=O)[O-] ZINC001226653386 1301495749 /nfs/dbraw/zinc/49/57/49/1301495749.db2.gz SYKDYWAGIGFKJZ-SNVBAGLBSA-N -1 0 347.327 2.277 20 5 EEBDRM COC(=O)c1ccc([C@@H](C)Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001229376091 1302752642 /nfs/dbraw/zinc/75/26/42/1302752642.db2.gz PTTUMNZFUUBZPJ-MRVPVSSYSA-N -1 0 333.300 2.325 20 5 EEBDRM COc1ccc([C@@H](C)Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])cn1 ZINC001231069686 1303609006 /nfs/dbraw/zinc/60/90/06/1303609006.db2.gz BWOSOYAHYKOMRD-ZCFIWIBFSA-N -1 0 326.696 2.287 20 5 EEBDRM CCCCC[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000797720085 1304811248 /nfs/dbraw/zinc/81/12/48/1304811248.db2.gz UYBFIEMJQXNYPE-AWEZNQCLSA-N -1 0 337.376 2.470 20 5 EEBDRM CC[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)CCS1 ZINC001121297564 1309972300 /nfs/dbraw/zinc/97/23/00/1309972300.db2.gz CGAYLVOUUMRWLW-LLVKDONJSA-N -1 0 349.416 2.428 20 5 EEBDRM C[C@H]1CC=C(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000835232300 1314906030 /nfs/dbraw/zinc/90/60/30/1314906030.db2.gz QJCOHAHULIVFAE-VIFPVBQESA-N -1 0 342.348 2.285 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC2(CCC2)C1 ZINC000842751948 1315767571 /nfs/dbraw/zinc/76/75/71/1315767571.db2.gz DWNNHYZSWRPULG-UHFFFAOYSA-N -1 0 342.348 2.119 20 5 EEBDRM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC001608486426 1351703167 /nfs/dbraw/zinc/70/31/67/1351703167.db2.gz UTLXPTXKEYYIEK-NSHDSACASA-N -1 0 338.316 2.221 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC001608513187 1351707830 /nfs/dbraw/zinc/70/78/30/1351707830.db2.gz ZXHKGJGUSNFKTI-NWDGAFQWSA-N -1 0 343.295 2.136 20 5 EEBDRM O=C([O-])[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001608543168 1351713019 /nfs/dbraw/zinc/71/30/19/1351713019.db2.gz KSMZMJOSUVMZMV-YPMHNXCESA-N -1 0 331.328 2.292 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(N[C@@H]2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001608755440 1351755876 /nfs/dbraw/zinc/75/58/76/1351755876.db2.gz SZIYHALIJQZVEE-GHMZBOCLSA-N -1 0 339.323 2.102 20 5 EEBDRM O=C([O-])c1c[nH]c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 ZINC001608831519 1351773982 /nfs/dbraw/zinc/77/39/82/1351773982.db2.gz YDTDUNRCEOMPNV-UHFFFAOYSA-N -1 0 347.312 2.358 20 5 EEBDRM O=C([O-])c1cc(NC(=O)[C@H]2CCN2C2CCCC2)cc([N+](=O)[O-])c1 ZINC001608853781 1351779193 /nfs/dbraw/zinc/77/91/93/1351779193.db2.gz YLYGPXMAJNNASP-CQSZACIVSA-N -1 0 333.344 2.248 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CCSCc2ccccc2)c1 ZINC001608862906 1351780743 /nfs/dbraw/zinc/78/07/43/1351780743.db2.gz HBZARKXTJILFPX-UHFFFAOYSA-N -1 0 334.353 2.388 20 5 EEBDRM O=C([O-])c1cnc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC001608972236 1351804927 /nfs/dbraw/zinc/80/49/27/1351804927.db2.gz PWBICOFNCJJCOF-UHFFFAOYSA-N -1 0 341.732 2.333 20 5 EEBDRM O=C([O-])c1nn(CC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001609003798 1351812545 /nfs/dbraw/zinc/81/25/45/1351812545.db2.gz CQIJTJNUOZGRSP-HTQZYQBOSA-N -1 0 349.265 2.427 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1(C(F)F)CCCC1 ZINC001323756895 1333532416 /nfs/dbraw/zinc/53/24/16/1333532416.db2.gz KLZJAINBOIVOBU-UHFFFAOYSA-N -1 0 348.327 2.225 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cs1 ZINC001324015271 1333588803 /nfs/dbraw/zinc/58/88/03/1333588803.db2.gz GATVGOLUVOWOCD-UHFFFAOYSA-N -1 0 330.309 2.420 20 5 EEBDRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC001609652447 1352050363 /nfs/dbraw/zinc/05/03/63/1352050363.db2.gz VFHCHXHZTFUGOO-UHFFFAOYSA-N -1 0 336.329 2.061 20 5 EEBDRM CC1=C(C(=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1CC1CC1 ZINC001609827506 1352095355 /nfs/dbraw/zinc/09/53/55/1352095355.db2.gz VMFRTCODNHXDKL-AWEZNQCLSA-N -1 0 331.328 2.430 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC001609865153 1352106365 /nfs/dbraw/zinc/10/63/65/1352106365.db2.gz GVFGHXOEJADZLC-NSHDSACASA-N -1 0 348.355 2.467 20 5 EEBDRM CSC[C@@H]1CCCN1c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001339916077 1337095988 /nfs/dbraw/zinc/09/59/88/1337095988.db2.gz IAUPRYVOGQWJKR-NSHDSACASA-N -1 0 349.416 2.428 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)COc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001609905920 1352116313 /nfs/dbraw/zinc/11/63/13/1352116313.db2.gz WTNSPTJMIRQBCF-SDBXPKJASA-N -1 0 344.751 2.243 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001610478489 1352229525 /nfs/dbraw/zinc/22/95/25/1352229525.db2.gz NWUSMPPNMRRQGQ-JTQLQIEISA-N -1 0 339.373 2.185 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001610794058 1352275787 /nfs/dbraw/zinc/27/57/87/1352275787.db2.gz OJAAENCHMHUJFD-UHFFFAOYSA-N -1 0 343.339 2.064 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@H]2CCCC2(F)F)cc([N+](=O)[O-])c1 ZINC001610809523 1352278688 /nfs/dbraw/zinc/27/86/88/1352278688.db2.gz PCZLSXNLUPEOKU-SNVBAGLBSA-N -1 0 328.271 2.458 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(Cl)c(F)c2)c1 ZINC001610817695 1352279858 /nfs/dbraw/zinc/27/98/58/1352279858.db2.gz QVQGJDKJPWPJCV-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])c1cncc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001610861961 1352287094 /nfs/dbraw/zinc/28/70/94/1352287094.db2.gz MCULALYWRPFWDE-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])n1C ZINC001599993200 1349951144 /nfs/dbraw/zinc/95/11/44/1349951144.db2.gz MRPVNMACPRFWJP-UHFFFAOYSA-N -1 0 335.291 2.009 20 5 EEBDRM Cc1c(NC(=S)NC[C@@H]2CCCO2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600049628 1349962147 /nfs/dbraw/zinc/96/21/47/1349962147.db2.gz SUZYPXKAVHILQP-JTQLQIEISA-N -1 0 339.373 2.067 20 5 EEBDRM Cc1cc(C)c(OC(=O)CCc2ocnc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001600163523 1349983343 /nfs/dbraw/zinc/98/33/43/1349983343.db2.gz NBOOVNIRIQKPBT-UHFFFAOYSA-N -1 0 334.284 2.436 20 5 EEBDRM Cc1cc(Cl)c(C(=O)NCCSCC(=O)[O-])cc1[N+](=O)[O-] ZINC001600216976 1349995404 /nfs/dbraw/zinc/99/54/04/1349995404.db2.gz OOXSUCSOYUJFGN-UHFFFAOYSA-N -1 0 332.765 2.104 20 5 EEBDRM Cc1cc(NC[C@H]2CC[C@H](C(N)=O)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600280255 1350009524 /nfs/dbraw/zinc/00/95/24/1350009524.db2.gz DBNWUBIEWYXKIF-XYPYZODXSA-N -1 0 335.360 2.305 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)n1 ZINC001600304572 1350015463 /nfs/dbraw/zinc/01/54/63/1350015463.db2.gz ZNQUAAFWNZCDRN-HNNXBMFYSA-N -1 0 343.339 2.471 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001600488609 1350063695 /nfs/dbraw/zinc/06/36/95/1350063695.db2.gz YWRIRAONPILJJN-MEDUHNTESA-N -1 0 333.344 2.270 20 5 EEBDRM Cc1cccc(CNC(=O)COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001600531666 1350075198 /nfs/dbraw/zinc/07/51/98/1350075198.db2.gz LTYMZQXAKXQRNU-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM Cc1cnc(NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001600623300 1350100358 /nfs/dbraw/zinc/10/03/58/1350100358.db2.gz AUIQMYFMFACTCH-CYBMUJFWSA-N -1 0 335.291 2.381 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(Br)n1Cc1nc(C(=O)[O-])cs1 ZINC001600720128 1350120867 /nfs/dbraw/zinc/12/08/67/1350120867.db2.gz DHNXDAVGYVLIDS-UHFFFAOYSA-N -1 0 347.150 2.065 20 5 EEBDRM Cc1ncc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001600742150 1350126237 /nfs/dbraw/zinc/12/62/37/1350126237.db2.gz HHJFONMJMPXDMO-UHFFFAOYSA-N -1 0 344.327 2.361 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001600748136 1350127022 /nfs/dbraw/zinc/12/70/22/1350127022.db2.gz ASOGRDXUCKQZEF-LBPRGKRZSA-N -1 0 335.360 2.309 20 5 EEBDRM Cc1oc(C)c(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1C(=O)[O-] ZINC001600838792 1350148509 /nfs/dbraw/zinc/14/85/09/1350148509.db2.gz QLMJXEMZZOICRK-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM Nc1c(C(=O)NC2(CC(=O)[O-])CCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001601207475 1350231227 /nfs/dbraw/zinc/23/12/27/1350231227.db2.gz HOTWJAMRMIEYBD-UHFFFAOYSA-N -1 0 345.714 2.097 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC001601214580 1350233215 /nfs/dbraw/zinc/23/32/15/1350233215.db2.gz LQOZYGWHLGNFQB-CQSZACIVSA-N -1 0 330.296 2.030 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001601216546 1350233717 /nfs/dbraw/zinc/23/37/17/1350233717.db2.gz GNFNIQCHFVAEFH-UHFFFAOYSA-N -1 0 341.323 2.074 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001601216879 1350234105 /nfs/dbraw/zinc/23/41/05/1350234105.db2.gz URCVFCRNXIPBPE-UHFFFAOYSA-N -1 0 341.323 2.074 20 5 EEBDRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001601409239 1350277768 /nfs/dbraw/zinc/27/77/68/1350277768.db2.gz PTQMMVXRAHMONZ-ONGXEEELSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001601812128 1350370040 /nfs/dbraw/zinc/37/00/40/1350370040.db2.gz FYFHXHJNAVTACP-GWCFXTLKSA-N -1 0 327.358 2.260 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@H](CO)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC001601881897 1350389187 /nfs/dbraw/zinc/38/91/87/1350389187.db2.gz GLTXHXCMPFLKBM-NMTKSXOJSA-N -1 0 336.344 2.035 20 5 EEBDRM O=C([O-])CC1(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 ZINC001601923345 1350398370 /nfs/dbraw/zinc/39/83/70/1350398370.db2.gz QCDQYJWGBGBLKS-UHFFFAOYSA-N -1 0 329.312 2.073 20 5 EEBDRM O=C([O-])CCCONC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001601994305 1350413048 /nfs/dbraw/zinc/41/30/48/1350413048.db2.gz BSLYVQZUTKBNKW-UHFFFAOYSA-N -1 0 336.222 2.140 20 5 EEBDRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001602105482 1350438966 /nfs/dbraw/zinc/43/89/66/1350438966.db2.gz OCFHYRPABBQKCB-SPWCGHHHSA-N -1 0 332.356 2.458 20 5 EEBDRM O=C([O-])c1cc(C(=O)N(Cc2ccncc2)C2CC2)cc([N+](=O)[O-])c1 ZINC001602242435 1350474714 /nfs/dbraw/zinc/47/47/14/1350474714.db2.gz YVWPOKPGBZQMOX-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2cnc(-c3ccccc3)o2)c1=O ZINC001602301857 1350488699 /nfs/dbraw/zinc/48/86/99/1350488699.db2.gz RWODNBJNKSOEMQ-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC001602341781 1350498764 /nfs/dbraw/zinc/49/87/64/1350498764.db2.gz GZGBMFXWSBQMFY-UONOGXRCSA-N -1 0 341.323 2.108 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3ncccn3)C2)c1 ZINC001602403997 1350511476 /nfs/dbraw/zinc/51/14/76/1350511476.db2.gz AVMCEIAYXBPJPE-GFCCVEGCSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC001602526323 1350538839 /nfs/dbraw/zinc/53/88/39/1350538839.db2.gz HLYLRFFWQDBMDN-LBPRGKRZSA-N -1 0 328.328 2.467 20 5 EEBDRM CCCN(C(=O)c1ccc(-c2nnn[n-]2)o1)c1cccc([N+](=O)[O-])c1 ZINC001604195308 1350890918 /nfs/dbraw/zinc/89/09/18/1350890918.db2.gz KWRIGSSLEITNGD-UHFFFAOYSA-N -1 0 342.315 2.425 20 5 EEBDRM C[C@@]12COC[C@@H]1CN(c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])C2 ZINC001604606927 1350968942 /nfs/dbraw/zinc/96/89/42/1350968942.db2.gz VIZKJZQCCGSJEN-RMLUDKJBSA-N -1 0 326.736 2.419 20 5 EEBDRM C[C@H]1CC(C)(C)CN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001604654968 1350978368 /nfs/dbraw/zinc/97/83/68/1350978368.db2.gz OVEAGOCMCFFDIT-VIFPVBQESA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@@H](COC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001605051011 1351067059 /nfs/dbraw/zinc/06/70/59/1351067059.db2.gz ZLFJVVYMTDPBRK-JTQLQIEISA-N -1 0 347.327 2.263 20 5 EEBDRM CCCCC[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC001605258170 1351117735 /nfs/dbraw/zinc/11/77/35/1351117735.db2.gz HRMBTKRWSBKVMN-LBPRGKRZSA-N -1 0 326.324 2.426 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001606139973 1351278140 /nfs/dbraw/zinc/27/81/40/1351278140.db2.gz UHSALLHALOQSNF-DZGCQCFKSA-N -1 0 349.387 2.422 20 5 EEBDRM O=C([O-])c1ccnc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001606531340 1351318048 /nfs/dbraw/zinc/31/80/48/1351318048.db2.gz DEOPBTRCWWVWMN-UHFFFAOYSA-N -1 0 328.284 2.236 20 5 EEBDRM CSc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001607409360 1351489969 /nfs/dbraw/zinc/48/99/69/1351489969.db2.gz ILVVGTRGXHQBLY-UHFFFAOYSA-N -1 0 349.324 2.368 20 5 EEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001607410884 1351490358 /nfs/dbraw/zinc/49/03/58/1351490358.db2.gz SZWACXHHWKSHKJ-UHFFFAOYSA-N -1 0 336.329 2.001 20 5 EEBDRM C[C@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001607456673 1351497352 /nfs/dbraw/zinc/49/73/52/1351497352.db2.gz KZRCQKGBLWOOID-GRYCIOLGSA-N -1 0 335.360 2.408 20 5 EEBDRM Cc1[nH]nc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001607500214 1351506232 /nfs/dbraw/zinc/50/62/32/1351506232.db2.gz MPYDJUROPJRYPM-WDEREUQCSA-N -1 0 330.300 2.067 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)c2cncc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001607752242 1351552190 /nfs/dbraw/zinc/55/21/90/1351552190.db2.gz WDJSTOPTQXURLR-JTQLQIEISA-N -1 0 329.312 2.487 20 5 EEBDRM Cc1nc(NC(=O)COc2cccc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001607962492 1351593659 /nfs/dbraw/zinc/59/36/59/1351593659.db2.gz JSQDLXNERNNAHX-UHFFFAOYSA-N -1 0 337.313 2.075 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(C(=O)[O-])s3)n2)n1C ZINC001607967414 1351595086 /nfs/dbraw/zinc/59/50/86/1351595086.db2.gz HFAAHBPGNYAQMQ-UHFFFAOYSA-N -1 0 335.301 2.113 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001608122886 1351629564 /nfs/dbraw/zinc/62/95/64/1351629564.db2.gz YEOOIMUNMNSGRJ-ZDUSSCGKSA-N -1 0 337.376 2.334 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000851624782 1367191544 /nfs/dbraw/zinc/19/15/44/1367191544.db2.gz MVNPITKCFQFSHG-CJNGLKHVSA-N -1 0 335.360 2.034 20 5 EEBDRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006330262 1369135967 /nfs/dbraw/zinc/13/59/67/1369135967.db2.gz MRTPCLVDANRQQP-ZJUUUORDSA-N -1 0 335.272 2.109 20 5 EEBDRM CC(C)c1occc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000796707891 1371459096 /nfs/dbraw/zinc/45/90/96/1371459096.db2.gz UYBBUXNWAFFZSY-UHFFFAOYSA-N -1 0 344.370 2.491 20 5 EEBDRM O=C(/C=C\c1cccs1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000255113610 1405728002 /nfs/dbraw/zinc/72/80/02/1405728002.db2.gz WRJFPYCANWQQMG-SREVYHEPSA-N -1 0 338.366 2.175 20 5 EEBDRM Cc1ccn2ncnc2c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000820800141 786479133 /nfs/dbraw/zinc/47/91/33/786479133.db2.gz YZDQJEKCVLHYOA-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000131341866 788860546 /nfs/dbraw/zinc/86/05/46/788860546.db2.gz NMROVFJJTBWBPW-UHFFFAOYSA-N -1 0 334.781 2.354 20 5 EEBDRM COC(=O)c1ccc(N)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174504255 797785020 /nfs/dbraw/zinc/78/50/20/797785020.db2.gz HRVSIVMXWFCZTP-UHFFFAOYSA-N -1 0 331.284 2.405 20 5 EEBDRM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(C)c([N+](=O)[O-])c1 ZINC000792627122 809898928 /nfs/dbraw/zinc/89/89/28/809898928.db2.gz ICRRECIDARQMGP-UHFFFAOYSA-N -1 0 349.255 2.443 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001601424608 970991768 /nfs/dbraw/zinc/99/17/68/970991768.db2.gz YVNUSZAFENZCAM-GFCCVEGCSA-N -1 0 349.730 2.069 20 5 EEBDRM CCCN(CC(=O)[O-])[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001589667804 949915472 /nfs/dbraw/zinc/91/54/72/949915472.db2.gz VTEOEBRVLPYRPM-SECBINFHSA-N -1 0 343.767 2.372 20 5 EEBDRM O=C([O-])CC1(C(=O)OCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC001594978869 950965410 /nfs/dbraw/zinc/96/54/10/950965410.db2.gz ZIWPJIXURJEHRW-UHFFFAOYSA-N -1 0 341.291 2.049 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2CCC(C(=O)[O-])CC2)cc1C ZINC001591126240 951071962 /nfs/dbraw/zinc/07/19/62/951071962.db2.gz ROPUALLYMXBGJE-UHFFFAOYSA-N -1 0 336.344 2.381 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001602983648 972006846 /nfs/dbraw/zinc/00/68/46/972006846.db2.gz MJZQSOCIAWYRFM-SNVBAGLBSA-N -1 0 346.286 2.283 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001589470513 954921552 /nfs/dbraw/zinc/92/15/52/954921552.db2.gz NMDFJGHEHSEGAF-UHFFFAOYSA-N -1 0 336.344 2.075 20 5 EEBDRM C[C@H](CNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001589048576 955630326 /nfs/dbraw/zinc/63/03/26/955630326.db2.gz CCBVQKCUECIOGV-DYEKYZERSA-N -1 0 349.387 2.451 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001594308059 957987087 /nfs/dbraw/zinc/98/70/87/957987087.db2.gz KHJPPJOYRUOYQG-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM COc1cc(COC(=O)c2ccc(C(=O)[O-])nc2)ccc1[N+](=O)[O-] ZINC001594059153 958075953 /nfs/dbraw/zinc/07/59/53/958075953.db2.gz XCTAGKLFBWEXRI-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)n1 ZINC001594329470 958204698 /nfs/dbraw/zinc/20/46/98/958204698.db2.gz CFKZBDYVDQDKCH-KRWDZBQOSA-N -1 0 343.339 2.071 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001594112398 958526437 /nfs/dbraw/zinc/52/64/37/958526437.db2.gz OZJNINWCWQYRFR-UHFFFAOYSA-N -1 0 334.332 2.232 20 5 EEBDRM C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588561153 959096954 /nfs/dbraw/zinc/09/69/54/959096954.db2.gz PVXUXGUQQXTTQY-STQMWFEESA-N -1 0 349.387 2.499 20 5 EEBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCC(=O)[O-] ZINC001594252563 959622708 /nfs/dbraw/zinc/62/27/08/959622708.db2.gz UKHVNPBXICNYNF-UHFFFAOYSA-N -1 0 345.149 2.260 20 5 EEBDRM CCCC[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000261688631 961387778 /nfs/dbraw/zinc/38/77/78/961387778.db2.gz NBOPOVNBMHFKIR-GFCCVEGCSA-N -1 0 326.374 2.447 20 5 EEBDRM COc1c(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cccc1[N+](=O)[O-] ZINC001604669529 973861881 /nfs/dbraw/zinc/86/18/81/973861881.db2.gz RCZXIJXHBKMPKM-AWEZNQCLSA-N -1 0 344.323 2.468 20 5 EEBDRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001592203494 977228769 /nfs/dbraw/zinc/22/87/69/977228769.db2.gz HRNDLSBNCDQPFT-KNQJERJVSA-N -1 0 343.133 2.116 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])s1)c1ccncc1 ZINC001592309326 977678879 /nfs/dbraw/zinc/67/88/79/977678879.db2.gz RPTODLXINRNNCC-CQSZACIVSA-N -1 0 335.341 2.171 20 5 EEBDRM C[C@@](CO)(NCc1ccc(C(=O)[O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC001592749139 979301025 /nfs/dbraw/zinc/30/10/25/979301025.db2.gz DIJBQMVFNHTOPF-KRWDZBQOSA-N -1 0 348.330 2.429 20 5 EEBDRM C[C@]1(C(F)F)CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000853029641 979593428 /nfs/dbraw/zinc/59/34/28/979593428.db2.gz NFJLGEQRHHHGTC-CQSZACIVSA-N -1 0 330.287 2.082 20 5 EEBDRM CC[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)C(=O)[O-] ZINC001595349121 980651854 /nfs/dbraw/zinc/65/18/54/980651854.db2.gz QWHQPQPADFIAAR-GZMMTYOYSA-N -1 0 339.300 2.022 20 5 EEBDRM CCC[C@@](C)(NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001595546615 981412466 /nfs/dbraw/zinc/41/24/66/981412466.db2.gz CVVIUDSZRWYTSG-MRXNPFEDSA-N -1 0 338.360 2.432 20 5 EEBDRM CCCCC[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001595672349 982133140 /nfs/dbraw/zinc/13/31/40/982133140.db2.gz JZWFQPXNVSHPOU-GFCCVEGCSA-N -1 0 326.324 2.426 20 5 EEBDRM CCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H](C)C(=O)[O-] ZINC001595830764 982719153 /nfs/dbraw/zinc/71/91/53/982719153.db2.gz DQRSXTWVAUDYJA-NSHDSACASA-N -1 0 346.343 2.106 20 5 EEBDRM CCN(CC)C(=O)CN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001596246141 983645706 /nfs/dbraw/zinc/64/57/06/983645706.db2.gz YTTORTXWDSBTDL-UHFFFAOYSA-N -1 0 343.767 2.251 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001589002317 984947457 /nfs/dbraw/zinc/94/74/57/984947457.db2.gz PJJFUFRCDBVQGI-ZHUYAKLQSA-N -1 0 341.323 2.335 20 5 EEBDRM CC(=O)c1ncc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001589322302 986130105 /nfs/dbraw/zinc/13/01/05/986130105.db2.gz ATVVUTICJUVNHK-UHFFFAOYSA-N -1 0 335.297 2.204 20 5 EEBDRM CCOc1cc(C(=O)O[C@@H](CC)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC001597029135 986442147 /nfs/dbraw/zinc/44/21/47/986442147.db2.gz XQKJHBLWBPGDIH-JTQLQIEISA-N -1 0 327.289 2.022 20 5 EEBDRM CC[C@H](OC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)c1cccc([N+](=O)[O-])c1 ZINC001597355453 987501811 /nfs/dbraw/zinc/50/18/11/987501811.db2.gz GHEYZJQBWGPMJO-GJQVQUKXSA-N -1 0 337.328 2.467 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001599877006 989432774 /nfs/dbraw/zinc/43/27/74/989432774.db2.gz DLPOSWZZOAHLMF-DGCLKSJQSA-N -1 0 345.355 2.261 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)n1 ZINC001597899351 989770100 /nfs/dbraw/zinc/77/01/00/989770100.db2.gz IGCJYIVEIXVLHC-QMMMGPOBSA-N -1 0 337.288 2.329 20 5 EEBDRM CCn1cnnc1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001597923569 989865033 /nfs/dbraw/zinc/86/50/33/989865033.db2.gz UTKYCPFEEXGZAM-UHFFFAOYSA-N -1 0 325.712 2.170 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171037 994029012 /nfs/dbraw/zinc/02/90/12/994029012.db2.gz RADPWWBJFUMHCW-QWRGUYRKSA-N -1 0 349.387 2.423 20 5 EEBDRM CNc1ccc(C(=O)N(CCC(F)(F)F)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598677809 994875261 /nfs/dbraw/zinc/87/52/61/994875261.db2.gz GETKHHOWFKQKEH-UHFFFAOYSA-N -1 0 349.265 2.116 20 5 EEBDRM COC(=O)[C@@](C)(NCc1ccoc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001598689059 995035676 /nfs/dbraw/zinc/03/56/76/995035676.db2.gz SCBPXSFWYDXPJC-INIZCTEOSA-N -1 0 348.311 2.064 20 5 EEBDRM COC(=O)CC1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001598845548 996562408 /nfs/dbraw/zinc/56/24/08/996562408.db2.gz QCTPIXFFWCRIBV-UHFFFAOYSA-N -1 0 336.344 2.001 20 5 EEBDRM CC1(C)C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1(=O)=O ZINC001593859849 996652375 /nfs/dbraw/zinc/65/23/75/996652375.db2.gz LSKHQPHFHGXJJG-JTQLQIEISA-N -1 0 342.373 2.061 20 5 EEBDRM COc1ccc(C(=O)[O-])cc1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC001599501417 997129070 /nfs/dbraw/zinc/12/90/70/997129070.db2.gz JVTFJGCLWGZBED-UHFFFAOYSA-N -1 0 342.311 2.403 20 5 EEBDRM COc1cc(CN2C[C@@H](C(=O)[O-])Oc3ccccc32)ccc1[N+](=O)[O-] ZINC001599407053 997328829 /nfs/dbraw/zinc/32/88/29/997328829.db2.gz MSSAADQSCWARDO-INIZCTEOSA-N -1 0 344.323 2.456 20 5 EEBDRM COc1c(NC(=O)Cc2ccccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001599338544 997882047 /nfs/dbraw/zinc/88/20/47/997882047.db2.gz PLXKQHURTJPPDB-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM COc1cc(C(=O)Nc2cc(C(=O)[O-])ccn2)c([N+](=O)[O-])cc1F ZINC001599354746 998160251 /nfs/dbraw/zinc/16/02/51/998160251.db2.gz HPXQTWJRLSMYDL-UHFFFAOYSA-N -1 0 335.247 2.088 20 5 EEBDRM COc1ccc(CNC(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599570938 998363775 /nfs/dbraw/zinc/36/37/75/998363775.db2.gz XJRFARLFPCYRBJ-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC001599375597 998480484 /nfs/dbraw/zinc/48/04/84/998480484.db2.gz PUXKTYKFICFKIP-UHFFFAOYSA-N -1 0 348.315 2.400 20 5 EEBDRM C[C@@H]1CCC[C@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594352628 999335521 /nfs/dbraw/zinc/33/55/21/999335521.db2.gz KBGGXSPZZGWAHO-PWSUYJOCSA-N -1 0 335.360 2.400 20 5 EEBDRM COC(=O)NCc1ccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000738040974 577997272 /nfs/dbraw/zinc/99/72/72/577997272.db2.gz FHKJWOXYPPGAOO-UHFFFAOYSA-N -1 0 346.299 2.288 20 5 EEBDRM C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000262204850 295967876 /nfs/dbraw/zinc/96/78/76/295967876.db2.gz JYGBUJYPLSADLM-SSDOTTSWSA-N -1 0 345.149 2.198 20 5 EEBDRM C[C@H](CCc1cccn1C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237527087 242676710 /nfs/dbraw/zinc/67/67/10/242676710.db2.gz GKENDHQWHUASAA-LLVKDONJSA-N -1 0 345.355 2.383 20 5 EEBDRM C[C@H](CN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000237571531 242697538 /nfs/dbraw/zinc/69/75/38/242697538.db2.gz IIPGHQGVDYDELV-SSDOTTSWSA-N -1 0 334.250 2.406 20 5 EEBDRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262848265 245211592 /nfs/dbraw/zinc/21/15/92/245211592.db2.gz CWWJRJSQCFCSEB-CYBMUJFWSA-N -1 0 347.371 2.274 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1SC ZINC000262897093 245239456 /nfs/dbraw/zinc/23/94/56/245239456.db2.gz AZRYTTKPBZKSJU-MRVPVSSYSA-N -1 0 342.373 2.118 20 5 EEBDRM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000273604840 256310733 /nfs/dbraw/zinc/31/07/33/256310733.db2.gz SEACIHLMIUPTDV-MNOVXSKESA-N -1 0 346.380 2.217 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000263199660 140894114 /nfs/dbraw/zinc/89/41/14/140894114.db2.gz MGBOAELHWKVNTH-VXGBXAGGSA-N -1 0 336.344 2.075 20 5 EEBDRM Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C(N)=O ZINC000121744760 143627752 /nfs/dbraw/zinc/62/77/52/143627752.db2.gz ZDVWZZHLSAYJKD-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM COc1ccc(O)c(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000355886154 153187879 /nfs/dbraw/zinc/18/78/79/153187879.db2.gz XLDGGSQMGKFSCV-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)Cc1ccccc1Cl ZINC000357660934 153274153 /nfs/dbraw/zinc/27/41/53/153274153.db2.gz QKCZRCJTYGZWOQ-AWEZNQCLSA-N -1 0 336.731 2.496 20 5 EEBDRM C[S@@](=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000125327813 292295804 /nfs/dbraw/zinc/29/58/04/292295804.db2.gz AHTBBLNKEZPLKG-QHCPKHFHSA-N -1 0 334.353 2.431 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000323954844 160539577 /nfs/dbraw/zinc/53/95/77/160539577.db2.gz DWVLAQTWMQTEGH-UHFFFAOYSA-N -1 0 336.304 2.411 20 5 EEBDRM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C(N)=O ZINC000077957237 159112121 /nfs/dbraw/zinc/11/21/21/159112121.db2.gz BTHUKSADJYPUAJ-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM O=C(CCn1c(=O)oc2ccccc21)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089540790 159183037 /nfs/dbraw/zinc/18/30/37/159183037.db2.gz SZRCAQNGYRVWAU-UHFFFAOYSA-N -1 0 343.295 2.237 20 5 EEBDRM O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCc2c([nH]c3ccccc32)C1 ZINC000193765477 160186505 /nfs/dbraw/zinc/18/65/05/160186505.db2.gz PMCBZOWQJRSVDA-UHFFFAOYSA-N -1 0 338.323 2.375 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000238165990 160228654 /nfs/dbraw/zinc/22/86/54/160228654.db2.gz JRXGDTFFGKJHEO-UHFFFAOYSA-N -1 0 326.308 2.492 20 5 EEBDRM COc1ccc(-c2nnc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])s2)cc1 ZINC000135189678 292443314 /nfs/dbraw/zinc/44/33/14/292443314.db2.gz OFCBBWNTYZAGLO-UHFFFAOYSA-N -1 0 346.328 2.097 20 5 EEBDRM CCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000355473762 163202427 /nfs/dbraw/zinc/20/24/27/163202427.db2.gz OQIBGGNUKNWGLM-UHFFFAOYSA-N -1 0 330.362 2.022 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000370115067 166397583 /nfs/dbraw/zinc/39/75/83/166397583.db2.gz WCCOSOUHFAEHJQ-OAHLLOKOSA-N -1 0 341.323 2.122 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000165144242 226111642 /nfs/dbraw/zinc/11/16/42/226111642.db2.gz VERIMMYNLOYGEL-UHFFFAOYSA-N -1 0 344.780 2.399 20 5 EEBDRM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])[nH]1 ZINC000278006301 269206054 /nfs/dbraw/zinc/20/60/54/269206054.db2.gz XEAMJTAGVYSPBL-BDAKNGLRSA-N -1 0 333.348 2.423 20 5 EEBDRM O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000279927790 269317080 /nfs/dbraw/zinc/31/70/80/269317080.db2.gz IXPXMQQYKILAMO-SECBINFHSA-N -1 0 332.316 2.170 20 5 EEBDRM O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280160865 269333889 /nfs/dbraw/zinc/33/38/89/269333889.db2.gz USRXSVDEGXUOEO-SECBINFHSA-N -1 0 332.316 2.170 20 5 EEBDRM CC(C)n1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000280865621 269395441 /nfs/dbraw/zinc/39/54/41/269395441.db2.gz CNVVHWSWBWGBBP-UHFFFAOYSA-N -1 0 328.325 2.312 20 5 EEBDRM CN1Cc2ccccc2[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000368324738 290313186 /nfs/dbraw/zinc/31/31/86/290313186.db2.gz UCKCUUXZJJJFPE-AWEZNQCLSA-N -1 0 327.340 2.217 20 5 EEBDRM COC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccco1 ZINC000175355443 293155493 /nfs/dbraw/zinc/15/54/93/293155493.db2.gz XMLUODNWWGYBQU-NSHDSACASA-N -1 0 340.357 2.162 20 5 EEBDRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000294514598 293474640 /nfs/dbraw/zinc/47/46/40/293474640.db2.gz DPQLKFFNNMEUAU-KRWDZBQOSA-N -1 0 349.387 2.234 20 5 EEBDRM CC(C)(C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1)C(N)=O ZINC000295601436 293765706 /nfs/dbraw/zinc/76/57/06/293765706.db2.gz IBURDQNSQVHOSV-LLVKDONJSA-N -1 0 349.387 2.054 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@H](C(=O)[O-])C1 ZINC000263430974 295277174 /nfs/dbraw/zinc/27/71/74/295277174.db2.gz SULDVJNEOUPJRM-JTQLQIEISA-N -1 0 331.328 2.453 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000263131492 297738945 /nfs/dbraw/zinc/73/89/45/297738945.db2.gz CXHFVNKJNPISDT-VXGBXAGGSA-N -1 0 335.360 2.109 20 5 EEBDRM Cc1cc(F)cc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000262430748 301298659 /nfs/dbraw/zinc/29/86/59/301298659.db2.gz MJEUVWYMVDDNIY-GFCCVEGCSA-N -1 0 336.319 2.369 20 5 EEBDRM O=C(NC1(CO)C2CC3CC(C2)CC1C3)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000413955249 303716085 /nfs/dbraw/zinc/71/60/85/303716085.db2.gz QFIFDUCWSKRRJK-UHFFFAOYSA-N -1 0 346.383 2.217 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000170747568 311395333 /nfs/dbraw/zinc/39/53/33/311395333.db2.gz OJACEPSUVBVTTF-UHFFFAOYSA-N -1 0 340.295 2.499 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000405414683 312455461 /nfs/dbraw/zinc/45/54/61/312455461.db2.gz OGOWKVQUFUYIAY-ZRUQZJFASA-N -1 0 330.340 2.321 20 5 EEBDRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000436877541 315008656 /nfs/dbraw/zinc/00/86/56/315008656.db2.gz ABQHLXPBXJVVJY-UHFFFAOYSA-N -1 0 336.325 2.304 20 5 EEBDRM COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436954431 315016242 /nfs/dbraw/zinc/01/62/42/315016242.db2.gz GPPVLVZFSMJUIU-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC000436969419 315017952 /nfs/dbraw/zinc/01/79/52/315017952.db2.gz YDENVXGDHHOBIL-LBPRGKRZSA-N -1 0 336.325 2.006 20 5 EEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](CCO)c1ccccc1 ZINC000436970593 315017964 /nfs/dbraw/zinc/01/79/64/315017964.db2.gz FBBODXNAKKBIJG-HNNXBMFYSA-N -1 0 330.340 2.496 20 5 EEBDRM COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436969442 315018026 /nfs/dbraw/zinc/01/80/26/315018026.db2.gz YLCIOEJQQYNPSM-OAHLLOKOSA-N -1 0 344.323 2.287 20 5 EEBDRM COc1ccc(COCCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436976704 315018419 /nfs/dbraw/zinc/01/84/19/315018419.db2.gz CRCSIWWSMIDURQ-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM O=C(Nc1ccc(OC2COC2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000444529987 315305667 /nfs/dbraw/zinc/30/56/67/315305667.db2.gz ZDNALKXQHIZXBF-UHFFFAOYSA-N -1 0 330.296 2.330 20 5 EEBDRM Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000507572970 316383231 /nfs/dbraw/zinc/38/32/31/316383231.db2.gz ZXCNZZCHHBEPOH-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM COC(=O)C1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCC1 ZINC000522059787 316950536 /nfs/dbraw/zinc/95/05/36/316950536.db2.gz CJQAHAPLCNYPSC-UHFFFAOYSA-N -1 0 342.735 2.169 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000541881994 318115368 /nfs/dbraw/zinc/11/53/68/318115368.db2.gz VAJNGSSKFQLVEY-LBPRGKRZSA-N -1 0 348.277 2.076 20 5 EEBDRM CCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000548116223 318356660 /nfs/dbraw/zinc/35/66/60/318356660.db2.gz OIPGFMAPMHQRNI-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-])cc1C ZINC000548215256 318365782 /nfs/dbraw/zinc/36/57/82/318365782.db2.gz MPZKVSOZIGDXIX-LLVKDONJSA-N -1 0 344.389 2.084 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000565041495 319142923 /nfs/dbraw/zinc/14/29/23/319142923.db2.gz TWRYNYUIFZCCMO-QGZVFWFLSA-N -1 0 345.355 2.461 20 5 EEBDRM Cn1ccnc1[C@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000565483823 319187232 /nfs/dbraw/zinc/18/72/32/319187232.db2.gz PSLLPUIGLZSNRY-BXUZGUMPSA-N -1 0 346.343 2.359 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000565718934 319207871 /nfs/dbraw/zinc/20/78/71/319207871.db2.gz SMPHPVGVECMDDO-AWEZNQCLSA-N -1 0 343.339 2.136 20 5 EEBDRM COc1cc(CN(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])cc(OC)c1 ZINC000568766689 319517932 /nfs/dbraw/zinc/51/79/32/319517932.db2.gz FDXAWXSAZMPYSQ-UHFFFAOYSA-N -1 0 347.327 2.342 20 5 EEBDRM CCCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000575069089 320084719 /nfs/dbraw/zinc/08/47/19/320084719.db2.gz NHYIMAHDDQCQSG-UHFFFAOYSA-N -1 0 330.362 2.102 20 5 EEBDRM CCCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H](CC)C(=O)[O-] ZINC000580767472 324125435 /nfs/dbraw/zinc/12/54/35/324125435.db2.gz ODJMSUNMVNUSRM-AWEZNQCLSA-N -1 0 337.376 2.422 20 5 EEBDRM CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1cccs1 ZINC000339045656 465048619 /nfs/dbraw/zinc/04/86/19/465048619.db2.gz DKXIMTKFULQWMV-VIFPVBQESA-N -1 0 344.418 2.302 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000339192163 465132356 /nfs/dbraw/zinc/13/23/56/465132356.db2.gz MMQZTVZAGFIIEE-JQWIXIFHSA-N -1 0 334.294 2.293 20 5 EEBDRM Cc1sc(=O)n(CCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000089540982 462690582 /nfs/dbraw/zinc/69/05/82/462690582.db2.gz OVLBIISEOKBZBX-UHFFFAOYSA-N -1 0 337.357 2.169 20 5 EEBDRM CC(=O)Nc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000132772380 462878553 /nfs/dbraw/zinc/87/85/53/462878553.db2.gz WSDYIHAWVYZDMO-UHFFFAOYSA-N -1 0 343.339 2.231 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000013026665 462883363 /nfs/dbraw/zinc/88/33/63/462883363.db2.gz UKSHFCPOGITNIZ-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000579239692 468330703 /nfs/dbraw/zinc/33/07/03/468330703.db2.gz IFFBXBOKABJIOD-UHFFFAOYSA-N -1 0 349.387 2.133 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@H](c3ccncc3)C2)n1 ZINC000579249756 468332999 /nfs/dbraw/zinc/33/29/99/468332999.db2.gz YBNTZGSBIHJGES-FZMZJTMJSA-N -1 0 344.327 2.415 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(N)=O)c([N+](=O)[O-])c1 ZINC000158581142 463241975 /nfs/dbraw/zinc/24/19/75/463241975.db2.gz VHKYCDGBNZHWAL-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000072758349 463541018 /nfs/dbraw/zinc/54/10/18/463541018.db2.gz HGLDTAKCAVRTSA-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM Cc1cc([C@](C)(O)CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)o1 ZINC000269165145 463895290 /nfs/dbraw/zinc/89/52/90/463895290.db2.gz FFUIJSXAIRJSJK-MRXNPFEDSA-N -1 0 334.328 2.148 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000261988237 463919215 /nfs/dbraw/zinc/91/92/15/463919215.db2.gz SMGISVQJJUGPQR-UHFFFAOYSA-N -1 0 326.374 2.447 20 5 EEBDRM COCC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)[O-] ZINC000262270769 463987520 /nfs/dbraw/zinc/98/75/20/463987520.db2.gz GRCVSGGWSZDSMN-SNVBAGLBSA-N -1 0 338.341 2.029 20 5 EEBDRM C[C@@H](CCc1cccn1C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237354719 464308527 /nfs/dbraw/zinc/30/85/27/464308527.db2.gz GKENDHQWHUASAA-NSHDSACASA-N -1 0 345.355 2.383 20 5 EEBDRM CN([C@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000281165969 464357029 /nfs/dbraw/zinc/35/70/29/464357029.db2.gz BRJHNINOSFYFIZ-GFCCVEGCSA-N -1 0 344.389 2.105 20 5 EEBDRM O=C([O-])C1(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCCCC1 ZINC000237964502 464411376 /nfs/dbraw/zinc/41/13/76/464411376.db2.gz WBFHRRBZWNKBKV-UHFFFAOYSA-N -1 0 346.343 2.379 20 5 EEBDRM COc1ccnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000191907717 464832891 /nfs/dbraw/zinc/83/28/91/464832891.db2.gz WGQGURPIRYTDAW-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000593922147 468435473 /nfs/dbraw/zinc/43/54/73/468435473.db2.gz JUPQRJNXPUNFRO-GFCCVEGCSA-N -1 0 335.360 2.130 20 5 EEBDRM COc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000338095669 465815722 /nfs/dbraw/zinc/81/57/22/465815722.db2.gz ODWIKCAHQXCTKB-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000338222169 465914811 /nfs/dbraw/zinc/91/48/11/465914811.db2.gz VTLFBVDSVYCOHH-UHFFFAOYSA-N -1 0 336.325 2.118 20 5 EEBDRM O=C1CCOc2c([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cccc21 ZINC000367017496 466075217 /nfs/dbraw/zinc/07/52/17/466075217.db2.gz QJDGYAGMPHVMOI-UHFFFAOYSA-N -1 0 348.336 2.361 20 5 EEBDRM Cc1cc(C)nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000340548640 466166295 /nfs/dbraw/zinc/16/62/95/466166295.db2.gz DCRFPLVIIXGWCG-UHFFFAOYSA-N -1 0 334.357 2.438 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000353960477 466284396 /nfs/dbraw/zinc/28/43/96/466284396.db2.gz OXRRWKHGJIGSMQ-NEPJUHHUSA-N -1 0 335.360 2.014 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361783377 466285376 /nfs/dbraw/zinc/28/53/76/466285376.db2.gz WHFVZOHAZFKASZ-UHFFFAOYSA-N -1 0 332.288 2.296 20 5 EEBDRM CCC(CC)(NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000321407438 466622919 /nfs/dbraw/zinc/62/29/19/466622919.db2.gz RUYOUTQQKBLVJZ-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM CCOC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000417661737 466902903 /nfs/dbraw/zinc/90/29/03/466902903.db2.gz SPKXHBZXSCFFLX-CQSZACIVSA-N -1 0 334.328 2.434 20 5 EEBDRM CCC(CC)(CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(=O)[O-] ZINC000424368768 467033994 /nfs/dbraw/zinc/03/39/94/467033994.db2.gz AJZQOADKVIGLIW-UHFFFAOYSA-N -1 0 344.389 2.301 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N1CCc2c(cccc2C(=O)[O-])C1 ZINC000392770971 467428565 /nfs/dbraw/zinc/42/85/65/467428565.db2.gz WEJKVPRXRSMLGL-UHFFFAOYSA-N -1 0 330.344 2.381 20 5 EEBDRM CCOC(=O)C[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)C ZINC000436581931 467546229 /nfs/dbraw/zinc/54/62/29/467546229.db2.gz KDLWTACOCLZELC-INIZCTEOSA-N -1 0 338.360 2.398 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000516774278 468045827 /nfs/dbraw/zinc/04/58/27/468045827.db2.gz LAAQBMWTMJLAGM-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM Cc1cc(N2CCC(Cn3ccnn3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516869584 468052054 /nfs/dbraw/zinc/05/20/54/468052054.db2.gz LCLUYNAYVZEGLB-UHFFFAOYSA-N -1 0 345.359 2.110 20 5 EEBDRM C[C@@H]1C[C@@H](CO)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000517374636 468083091 /nfs/dbraw/zinc/08/30/91/468083091.db2.gz KMDJMFVHSIKOKP-RKDXNWHRSA-N -1 0 328.752 2.044 20 5 EEBDRM C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000518775482 468126310 /nfs/dbraw/zinc/12/63/10/468126310.db2.gz PVNTVNXDZQCEMH-HNNXBMFYSA-N -1 0 339.779 2.122 20 5 EEBDRM CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CCCC1 ZINC000567797797 468212405 /nfs/dbraw/zinc/21/24/05/468212405.db2.gz BDOPVLGFNROSLJ-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC000567981394 468249544 /nfs/dbraw/zinc/24/95/44/468249544.db2.gz IITQWICYSYDBQT-UHFFFAOYSA-N -1 0 336.392 2.307 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC[C@H](OCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000582609885 468567331 /nfs/dbraw/zinc/56/73/31/468567331.db2.gz PAXCRTSCGCWIIP-QMMMGPOBSA-N -1 0 349.265 2.236 20 5 EEBDRM C[C@@](NC(=O)[C@@H]1C[C@H]1C1CCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600871673 468672156 /nfs/dbraw/zinc/67/21/56/468672156.db2.gz BFFRSQZHNVFWFR-VBQJREDUSA-N -1 0 332.356 2.447 20 5 EEBDRM CS[C@@H](C)CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877081 468673566 /nfs/dbraw/zinc/67/35/66/468673566.db2.gz RCELZEUMSUVREP-XPTSAGLGSA-N -1 0 326.374 2.152 20 5 EEBDRM O=C([O-])C1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC2(CCC2)C1 ZINC000595243128 468791346 /nfs/dbraw/zinc/79/13/46/468791346.db2.gz BEHJBIVOULUHHR-UHFFFAOYSA-N -1 0 347.371 2.158 20 5 EEBDRM O=C(NC[C@H](CO)CC1CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000598291457 468822372 /nfs/dbraw/zinc/82/23/72/468822372.db2.gz AVSKFANTVMRVDO-SECBINFHSA-N -1 0 328.752 2.092 20 5 EEBDRM C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@]1(C)C(=O)[O-] ZINC000592953186 468827058 /nfs/dbraw/zinc/82/70/58/468827058.db2.gz LYJJUWCYZLVBOK-JDNHERCYSA-N -1 0 331.328 2.259 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2CCN(CC(F)F)CC2)n1 ZINC000592970941 468831020 /nfs/dbraw/zinc/83/10/20/468831020.db2.gz XEWJUYZUGGYAFC-UHFFFAOYSA-N -1 0 344.318 2.138 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](CCO)c2ccccc2)n1 ZINC000592973083 468831772 /nfs/dbraw/zinc/83/17/72/468831772.db2.gz STPYVPXFHZQLCL-LBPRGKRZSA-N -1 0 331.328 2.266 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](CO)Cc2ccc(F)cc2)n1 ZINC000592976716 468831938 /nfs/dbraw/zinc/83/19/38/468831938.db2.gz MXCULBOYQTXMDK-LBPRGKRZSA-N -1 0 349.318 2.151 20 5 EEBDRM O=C([O-])CCCOc1ccc(CNc2ccncc2[N+](=O)[O-])cc1 ZINC000592980919 468833383 /nfs/dbraw/zinc/83/33/83/468833383.db2.gz KNVZKYNJGCQVLC-UHFFFAOYSA-N -1 0 331.328 2.267 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000584719731 468921614 /nfs/dbraw/zinc/92/16/14/468921614.db2.gz JNPLCTHXHSADDS-UHFFFAOYSA-N -1 0 326.334 2.042 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000584843545 468948335 /nfs/dbraw/zinc/94/83/35/468948335.db2.gz QGJAPTZIFXFQFP-SNVBAGLBSA-N -1 0 333.369 2.397 20 5 EEBDRM C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000572721953 468980139 /nfs/dbraw/zinc/98/01/39/468980139.db2.gz KODZKAIBRYANST-GZMMTYOYSA-N -1 0 326.736 2.431 20 5 EEBDRM CO[C@]1(C(F)(F)F)CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000614897801 469086991 /nfs/dbraw/zinc/08/69/91/469086991.db2.gz AUKFACYHPFUVME-CYBMUJFWSA-N -1 0 348.277 2.484 20 5 EEBDRM CCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000593702797 469102521 /nfs/dbraw/zinc/10/25/21/469102521.db2.gz PTWIDZRKYKEMNW-UONOGXRCSA-N -1 0 332.356 2.340 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000611463979 469255425 /nfs/dbraw/zinc/25/54/25/469255425.db2.gz MYKPUOXBDHBZGL-HNNXBMFYSA-N -1 0 348.286 2.055 20 5 EEBDRM O=C([O-])C[C@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000611526329 469272199 /nfs/dbraw/zinc/27/21/99/469272199.db2.gz PYPKAEABEJBHBA-GFCCVEGCSA-N -1 0 335.360 2.253 20 5 EEBDRM CCc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)o1 ZINC000613344362 469691228 /nfs/dbraw/zinc/69/12/28/469691228.db2.gz ASTYPYDOSBXMNO-UHFFFAOYSA-N -1 0 348.340 2.494 20 5 EEBDRM Cc1sc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1[N+](=O)[O-] ZINC000613455598 469715943 /nfs/dbraw/zinc/71/59/43/469715943.db2.gz SDLIJIUHMMXFBM-UHFFFAOYSA-N -1 0 342.402 2.372 20 5 EEBDRM Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])C(C)C)c(C)c1[N+](=O)[O-] ZINC000598584880 485618898 /nfs/dbraw/zinc/61/88/98/485618898.db2.gz YXOJAQDRFUMNGV-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000160336586 528326174 /nfs/dbraw/zinc/32/61/74/528326174.db2.gz JGGIZTCTMIGHMV-UHFFFAOYSA-N -1 0 344.371 2.356 20 5 EEBDRM Cc1nn(CCC(=O)O[C@@H](C(=O)[O-])c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000738922472 576130704 /nfs/dbraw/zinc/13/07/04/576130704.db2.gz JAEOVHQPECDBSD-OAHLLOKOSA-N -1 0 347.327 2.167 20 5 EEBDRM Cc1ncc(CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000771958553 577241374 /nfs/dbraw/zinc/24/13/74/577241374.db2.gz ZRDBTKOWEJFLHJ-UHFFFAOYSA-N -1 0 345.377 2.020 20 5 EEBDRM COC(=O)c1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768864018 577564488 /nfs/dbraw/zinc/56/44/88/577564488.db2.gz GOJUJTZLXWPSQK-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000769103804 577569697 /nfs/dbraw/zinc/56/96/97/577569697.db2.gz BSTPBMBCCHHFGJ-ZDUSSCGKSA-N -1 0 328.328 2.206 20 5 EEBDRM CCCn1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000743261927 577882367 /nfs/dbraw/zinc/88/23/67/577882367.db2.gz NTYZINOGLMZBFB-UHFFFAOYSA-N -1 0 328.325 2.141 20 5 EEBDRM CC(C)CS(=O)(=O)[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000749078103 577970897 /nfs/dbraw/zinc/97/08/97/577970897.db2.gz VJJYGLGPOYWEHT-JTQLQIEISA-N -1 0 346.430 2.177 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000738887482 578030021 /nfs/dbraw/zinc/03/00/21/578030021.db2.gz ANFOUXACYUZBSU-UHFFFAOYSA-N -1 0 327.296 2.152 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000738890161 578030136 /nfs/dbraw/zinc/03/01/36/578030136.db2.gz ZZIPMSNARFAOPY-UHFFFAOYSA-N -1 0 348.340 2.262 20 5 EEBDRM O=C([O-])N1CCC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000739385539 578051457 /nfs/dbraw/zinc/05/14/57/578051457.db2.gz FTEXNZHWZJOYQG-VIFPVBQESA-N -1 0 327.724 2.120 20 5 EEBDRM O=C([O-])c1occc1COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000740296334 578089405 /nfs/dbraw/zinc/08/94/05/578089405.db2.gz KOYSEXJYSVZOGK-UHFFFAOYSA-N -1 0 349.251 2.014 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc(C(=O)[O-])ccc1=O ZINC000736494126 578207828 /nfs/dbraw/zinc/20/78/28/578207828.db2.gz HGMBBZGKAVBPAB-UHFFFAOYSA-N -1 0 332.312 2.290 20 5 EEBDRM CCc1ccc(OCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000737267745 578247191 /nfs/dbraw/zinc/24/71/91/578247191.db2.gz IBDNKVSESZMTFT-ZUZCIYMTSA-N -1 0 338.360 2.152 20 5 EEBDRM CN(C[C@@H]1CCCOC1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000737414050 578256240 /nfs/dbraw/zinc/25/62/40/578256240.db2.gz WRIVHDKUCKAFHT-VIFPVBQESA-N -1 0 339.304 2.064 20 5 EEBDRM CNC(=O)c1cccc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000737551670 578263787 /nfs/dbraw/zinc/26/37/87/578263787.db2.gz KALXWRVQLMTHTH-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM O=C([O-])c1occc1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000833345670 600838027 /nfs/dbraw/zinc/83/80/27/600838027.db2.gz CPKCXZGIIMRWLI-UHFFFAOYSA-N -1 0 341.279 2.158 20 5 EEBDRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(O)c1 ZINC000832174804 600974809 /nfs/dbraw/zinc/97/48/09/600974809.db2.gz SRPNJAIZXOMYNI-UHFFFAOYSA-N -1 0 332.268 2.260 20 5 EEBDRM C[C@H](CC[S@](C)=O)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827421861 600999029 /nfs/dbraw/zinc/99/90/29/600999029.db2.gz CAXPWHWZNULERF-BWHNQEDBSA-N -1 0 326.374 2.262 20 5 EEBDRM C/C(=C\COC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000825787020 601419905 /nfs/dbraw/zinc/41/99/05/601419905.db2.gz TXKARQKHAYRETG-JXMROGBWSA-N -1 0 345.311 2.183 20 5 EEBDRM Cn1ccnc1C(=O)c1ccc(NCC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000833059084 601681883 /nfs/dbraw/zinc/68/18/83/601681883.db2.gz QJLWUTAEDVZTMP-UHFFFAOYSA-N -1 0 346.343 2.082 20 5 EEBDRM O=C([O-])CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC000833228987 601803934 /nfs/dbraw/zinc/80/39/34/601803934.db2.gz LOKNKFWJOXDUCC-UHFFFAOYSA-N -1 0 339.325 2.321 20 5 EEBDRM Cc1cc(N[C@H]2CC(=O)N(C(C)(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896898 602321364 /nfs/dbraw/zinc/32/13/64/602321364.db2.gz HQMDUQRCOSDLIF-NSHDSACASA-N -1 0 335.360 2.413 20 5 EEBDRM CC1=C(C(=O)[O-])[C@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=S)N1 ZINC000833577389 605341214 /nfs/dbraw/zinc/34/12/14/605341214.db2.gz PQZGEDQBDVOBKT-JTQLQIEISA-N -1 0 327.749 2.126 20 5 EEBDRM Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000018707262 683072023 /nfs/dbraw/zinc/07/20/23/683072023.db2.gz YSPLEQJRPMMULE-UHFFFAOYSA-N -1 0 328.737 2.026 20 5 EEBDRM C[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000094188819 685640098 /nfs/dbraw/zinc/64/00/98/685640098.db2.gz SIZYWTRRHXHBRT-LURJTMIESA-N -1 0 346.137 2.200 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C1(F)CCCCC1 ZINC000810580085 1199605237 /nfs/dbraw/zinc/60/52/37/1199605237.db2.gz ADDIOKRYSICKPK-UHFFFAOYSA-N -1 0 336.366 2.134 20 5 EEBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000879765533 1201248342 /nfs/dbraw/zinc/24/83/42/1201248342.db2.gz DWXITDKEYRCTJS-ZDUSSCGKSA-N -1 0 349.284 2.377 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](Cc2nccs2)C1 ZINC000890217080 1204808696 /nfs/dbraw/zinc/80/86/96/1204808696.db2.gz CLSFESZSLTURMF-SNVBAGLBSA-N -1 0 333.369 2.462 20 5 EEBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000778819750 1208364039 /nfs/dbraw/zinc/36/40/39/1208364039.db2.gz HXSNLHIVFLFBDT-UHFFFAOYSA-N -1 0 334.353 2.163 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000778939481 1208410053 /nfs/dbraw/zinc/41/00/53/1208410053.db2.gz UCIJKKPUZHASCV-UHFFFAOYSA-N -1 0 347.239 2.190 20 5 EEBDRM C[C@@](O)(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(F)cc1 ZINC000089910586 1212074793 /nfs/dbraw/zinc/07/47/93/1212074793.db2.gz ZMSMINQWSXWCTN-MRXNPFEDSA-N -1 0 334.303 2.077 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](O)c1ccc(F)cc1 ZINC000119284383 1229482525 /nfs/dbraw/zinc/48/25/25/1229482525.db2.gz UABSSJDAQIWZJY-RFAUZJTJSA-N -1 0 334.303 2.291 20 5 EEBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000802869354 1238484709 /nfs/dbraw/zinc/48/47/09/1238484709.db2.gz CWDNQNPEIOYELV-UHFFFAOYSA-N -1 0 340.382 2.012 20 5 EEBDRM O=c1cc(C(F)(F)F)[n-]c(O[C@@H]2CCNCC2(F)F)c1[N+](=O)[O-] ZINC001218008496 1297545629 /nfs/dbraw/zinc/54/56/29/1297545629.db2.gz ZFKISYFQKIPJSD-SSDOTTSWSA-N -1 0 343.208 2.090 20 5 EEBDRM COc1cc(-c2nc(-c3cccnc3OC)no2)cc([N+](=O)[O-])c1[O-] ZINC001216836965 1297309143 /nfs/dbraw/zinc/30/91/43/1297309143.db2.gz DGEXUEWZGCTBDC-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM CCCC/C=C/[C@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226649024 1301493657 /nfs/dbraw/zinc/49/36/57/1301493657.db2.gz IPQBUTDEIDTYOV-FLOXNTQESA-N -1 0 325.321 2.391 20 5 EEBDRM COCC(=O)c1ccc(O)cc1O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001227173001 1301719138 /nfs/dbraw/zinc/71/91/38/1301719138.db2.gz UAGNYUWETCGOLD-JTQLQIEISA-N -1 0 349.343 2.102 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(OC[C@@H]2Cc3ccccc3O2)cc1[O-] ZINC001228810974 1302462284 /nfs/dbraw/zinc/46/22/84/1302462284.db2.gz MAWPPSPIVWQUGB-NSHDSACASA-N -1 0 345.307 2.470 20 5 EEBDRM CCOC(=O)[C@@H]1CC[C@@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231225306 1303689967 /nfs/dbraw/zinc/68/99/67/1303689967.db2.gz WHTHFRCKCSGRMX-RKDXNWHRSA-N -1 0 340.288 2.319 20 5 EEBDRM CO[C@@H](C)CO[C@@H](C)COc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231226240 1303691202 /nfs/dbraw/zinc/69/12/02/1303691202.db2.gz BIINDSPJAIVZND-IUCAKERBSA-N -1 0 330.293 2.027 20 5 EEBDRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000781834662 1303875840 /nfs/dbraw/zinc/87/58/40/1303875840.db2.gz IEAGFRQSLKCBDF-HJWRWDBZSA-N -1 0 330.337 2.285 20 5 EEBDRM CS(=O)(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])ccc3[O-])nc2c1 ZINC001251046645 1317407184 /nfs/dbraw/zinc/40/71/84/1317407184.db2.gz WVRPOSADZYDMAY-UHFFFAOYSA-N -1 0 333.325 2.247 20 5 EEBDRM Cc1ccc(-c2ccc(N[C@H]3SC(=O)[N-]C3=O)nn2)cc1[N+](=O)[O-] ZINC001155841295 1317759670 /nfs/dbraw/zinc/75/96/70/1317759670.db2.gz FRMWBQHNPWGYSQ-ZDUSSCGKSA-N -1 0 345.340 2.081 20 5 EEBDRM Cc1ccc(S(=O)(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001600475371 1350060920 /nfs/dbraw/zinc/06/09/20/1350060920.db2.gz MEGQBFKSVJDKEX-ZDUSSCGKSA-N -1 0 344.389 2.023 20 5 EEBDRM Cc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC001600483517 1350062036 /nfs/dbraw/zinc/06/20/36/1350062036.db2.gz PGQPXQFSFGNEHC-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccs1 ZINC001601280183 1350248005 /nfs/dbraw/zinc/24/80/05/1350248005.db2.gz AQQDXFFXMUZFNS-CQSZACIVSA-N -1 0 349.368 2.400 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)[C@H]2CCC(=O)c3cccn32)cc1[N+](=O)[O-] ZINC001602388953 1350508538 /nfs/dbraw/zinc/50/85/38/1350508538.db2.gz REXUKRBELBECOK-GFCCVEGCSA-N -1 0 344.279 2.218 20 5 EEBDRM CC(C)(C)[C@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)[O-] ZINC001603309150 1350685378 /nfs/dbraw/zinc/68/53/78/1350685378.db2.gz SHCSAADJWPFGKI-CYBMUJFWSA-N -1 0 346.343 2.214 20 5 EEBDRM C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C(C)(C)C ZINC001604191616 1350889956 /nfs/dbraw/zinc/88/99/56/1350889956.db2.gz QEAKXQXYFZIHEA-VIFPVBQESA-N -1 0 344.389 2.254 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1Cl ZINC001607709285 1351543855 /nfs/dbraw/zinc/54/38/55/1351543855.db2.gz XBPRVSSITDFRST-CYBMUJFWSA-N -1 0 330.699 2.195 20 5 EEBDRM O=C([O-])/C=C\c1ccc(Sc2nnnn2C2CC2)c([N+](=O)[O-])c1 ZINC001608664017 1351737315 /nfs/dbraw/zinc/73/73/15/1351737315.db2.gz YAEDANXKFDUINW-KXFIGUGUSA-N -1 0 333.329 2.165 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)OCCOc2cccc([N+](=O)[O-])c2)c1 ZINC001608784481 1351762701 /nfs/dbraw/zinc/76/27/01/1351762701.db2.gz IUFYJKZCGABAKG-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@H]2CCc3ncsc3C2)cc([N+](=O)[O-])c1 ZINC001608837036 1351775295 /nfs/dbraw/zinc/77/52/95/1351775295.db2.gz CRYUUMSVZUJTGG-JTQLQIEISA-N -1 0 347.352 2.037 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001608862883 1351780898 /nfs/dbraw/zinc/78/08/98/1351780898.db2.gz PTEXGQQOYSTZQK-FDOIEUKUSA-N -1 0 342.735 2.162 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2ccc3c(c2)OCO3)n1 ZINC001608915456 1351793302 /nfs/dbraw/zinc/79/33/02/1351793302.db2.gz WGXHWCDWNMCYDS-UHFFFAOYSA-N -1 0 331.284 2.071 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001608921467 1351794913 /nfs/dbraw/zinc/79/49/13/1351794913.db2.gz SJHQKOKZUVKQTG-QGZVFWFLSA-N -1 0 342.351 2.385 20 5 EEBDRM O=C([O-])c1ccccc1OS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001608949055 1351801145 /nfs/dbraw/zinc/80/11/45/1351801145.db2.gz VXNHWBYPFDIWMN-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001608975038 1351806127 /nfs/dbraw/zinc/80/61/27/1351806127.db2.gz RNWRYJDCGNBUIW-VXGBXAGGSA-N -1 0 335.360 2.331 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001609549791 1352013901 /nfs/dbraw/zinc/01/39/01/1352013901.db2.gz WMUQVRRYNSQVPO-LXSSAFMLSA-N -1 0 328.271 2.223 20 5 EEBDRM C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609762099 1352078741 /nfs/dbraw/zinc/07/87/41/1352078741.db2.gz UKACJCPANRADMK-GXTWGEPZSA-N -1 0 336.388 2.270 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001609924530 1352121353 /nfs/dbraw/zinc/12/13/53/1352121353.db2.gz IBKDCUPFOVDHLJ-ZYHUDNBSSA-N -1 0 344.314 2.388 20 5 EEBDRM CC[C@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001609948398 1352127115 /nfs/dbraw/zinc/12/71/15/1352127115.db2.gz QPZNDYOUCPGHGC-AAEUAGOBSA-N -1 0 338.360 2.058 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@](C)(COC)CC(=O)[O-] ZINC001610065371 1352153826 /nfs/dbraw/zinc/15/38/26/1352153826.db2.gz QAVGUIPCZLTYEM-HNNXBMFYSA-N -1 0 339.348 2.159 20 5 EEBDRM CCC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847893430 1338366399 /nfs/dbraw/zinc/36/63/99/1338366399.db2.gz AMKRAKIEZVCGGL-ZYHUDNBSSA-N -1 0 341.389 2.011 20 5 EEBDRM Cc1ccc(NCCCNC(=O)c2ccc(C(=O)[O-])[nH]2)c([N+](=O)[O-])c1 ZINC001610510546 1352236126 /nfs/dbraw/zinc/23/61/26/1352236126.db2.gz PNAMHTAIVZFAFE-UHFFFAOYSA-N -1 0 346.343 2.162 20 5 EEBDRM Cn1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C2CC2)n1 ZINC001610600474 1352251985 /nfs/dbraw/zinc/25/19/85/1352251985.db2.gz TXKOBFMYJHLIAE-UHFFFAOYSA-N -1 0 330.300 2.156 20 5 EEBDRM O=C([O-])CSCCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001610789219 1352275175 /nfs/dbraw/zinc/27/51/75/1352275175.db2.gz AYGYRPKPMWAURY-UHFFFAOYSA-N -1 0 338.385 2.294 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc([N+](=O)[O-])c1 ZINC001610808619 1352278567 /nfs/dbraw/zinc/27/85/67/1352278567.db2.gz FHICJRBSIFTOPT-CQSZACIVSA-N -1 0 344.327 2.384 20 5 EEBDRM O=C([O-])c1cc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cs1 ZINC001610812432 1352278799 /nfs/dbraw/zinc/27/87/99/1352278799.db2.gz NJJFIXZGKFKMAN-UHFFFAOYSA-N -1 0 334.353 2.443 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](C)c2cn[nH]c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600040061 1349960264 /nfs/dbraw/zinc/96/02/64/1349960264.db2.gz OEAJVSWPWGPQGW-QMMMGPOBSA-N -1 0 333.304 2.207 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@](C)(O)c2cccc(F)c2)n1 ZINC001600106965 1349972695 /nfs/dbraw/zinc/97/26/95/1349972695.db2.gz MRUKIROZTJAIIT-INIZCTEOSA-N -1 0 349.318 2.455 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)C1(C(=O)[O-])CC1 ZINC001600164912 1349983914 /nfs/dbraw/zinc/98/39/14/1349983914.db2.gz QYDSXSOIOGLRMP-UHFFFAOYSA-N -1 0 335.312 2.111 20 5 EEBDRM Cc1cc(OCC(=O)OCc2cccc(C(=O)[O-])n2)ccc1[N+](=O)[O-] ZINC001600289714 1350012255 /nfs/dbraw/zinc/01/22/55/1350012255.db2.gz FLXSZCGONYARFH-UHFFFAOYSA-N -1 0 346.295 2.119 20 5 EEBDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC001600370361 1350031932 /nfs/dbraw/zinc/03/19/32/1350031932.db2.gz GOWULQNJHRMBGL-HNNXBMFYSA-N -1 0 343.339 2.431 20 5 EEBDRM Cc1cccc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)c1[N+](=O)[O-] ZINC001600511685 1350069947 /nfs/dbraw/zinc/06/99/47/1350069947.db2.gz UGANHDYXQVNYNU-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1cccc2c1C[C@H](C(=O)[O-])N2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001600554378 1350081079 /nfs/dbraw/zinc/08/10/79/1350081079.db2.gz HPTLSFYQGBPBNZ-MRXNPFEDSA-N -1 0 340.335 2.488 20 5 EEBDRM Cc1nc([C@@](C)(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C2CC2)no1 ZINC001600688958 1350116811 /nfs/dbraw/zinc/11/68/11/1350116811.db2.gz WBSKJJKNEFEVMO-INIZCTEOSA-N -1 0 346.343 2.399 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001600970586 1350179477 /nfs/dbraw/zinc/17/94/77/1350179477.db2.gz LMVDZPDTYSCUGL-UHFFFAOYSA-N -1 0 336.329 2.218 20 5 EEBDRM O=C([O-])c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc2n1CCC2 ZINC001601241015 1350239656 /nfs/dbraw/zinc/23/96/56/1350239656.db2.gz UFYPAAMPFIASFO-VMPITWQZSA-N -1 0 342.311 2.088 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC(=O)NCCc2ccccc2)c1 ZINC001601329217 1350258619 /nfs/dbraw/zinc/25/86/19/1350258619.db2.gz GMOYGXIVWCEJNA-UHFFFAOYSA-N -1 0 343.339 2.064 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@H](OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001601390978 1350272428 /nfs/dbraw/zinc/27/24/28/1350272428.db2.gz GBZFWRPQJZVKNN-MFKMUULPSA-N -1 0 347.327 2.131 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC001601393007 1350272869 /nfs/dbraw/zinc/27/28/69/1350272869.db2.gz CQRCFVOWMNMPKX-SNVBAGLBSA-N -1 0 332.234 2.207 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)C2 ZINC001601575164 1350310794 /nfs/dbraw/zinc/31/07/94/1350310794.db2.gz ROLJRDYXABNGKL-GLSBUQGYSA-N -1 0 329.312 2.059 20 5 EEBDRM O=C([O-])c1cc2c(cc1NC(=O)c1csc([N+](=O)[O-])c1)OCO2 ZINC001601594964 1350315540 /nfs/dbraw/zinc/31/55/40/1350315540.db2.gz WDIXISDNCYAJSC-UHFFFAOYSA-N -1 0 336.281 2.336 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2cccc3cccnc32)c1 ZINC001602299578 1350488192 /nfs/dbraw/zinc/48/81/92/1350488192.db2.gz PHFJCTVWAPQLNV-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM O=C([O-])c1ccc(/C=C/C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001602330887 1350495798 /nfs/dbraw/zinc/49/57/98/1350495798.db2.gz QPVVYCIZUBQIAS-GQCTYLIASA-N -1 0 328.280 2.442 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cn1 ZINC001602341780 1350498929 /nfs/dbraw/zinc/49/89/29/1350498929.db2.gz GZGBMFXWSBQMFY-KGLIPLIRSA-N -1 0 341.323 2.108 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C(=O)c3ccccc3C2=O)c1 ZINC001602404730 1350511821 /nfs/dbraw/zinc/51/18/21/1350511821.db2.gz CWHHZILQLLGNJI-UHFFFAOYSA-N -1 0 326.264 2.089 20 5 EEBDRM O=C([O-])c1cccc(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001602435283 1350519040 /nfs/dbraw/zinc/51/90/40/1350519040.db2.gz JNTITNVBEIOPNU-UHFFFAOYSA-N -1 0 326.308 2.378 20 5 EEBDRM O=C([O-])c1cccc2c1OCCN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC001602461422 1350524450 /nfs/dbraw/zinc/52/44/50/1350524450.db2.gz BWCIGQJIRAQREJ-UHFFFAOYSA-N -1 0 348.336 2.389 20 5 EEBDRM O=C([O-])c1cnc(Nc2cnn(CC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC001602535048 1350540985 /nfs/dbraw/zinc/54/09/85/1350540985.db2.gz VOQWZQPJZKPJES-UHFFFAOYSA-N -1 0 331.210 2.190 20 5 EEBDRM O=Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001602667182 1350569632 /nfs/dbraw/zinc/56/96/32/1350569632.db2.gz OVDNVAWKIMAZCB-UHFFFAOYSA-N -1 0 328.280 2.287 20 5 EEBDRM CC(C)c1cc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)nn1C ZINC001603989911 1350821788 /nfs/dbraw/zinc/82/17/88/1350821788.db2.gz KVBYRZLULDDIOJ-UHFFFAOYSA-N -1 0 333.300 2.369 20 5 EEBDRM C[C@](NC(=O)C[C@@H]1C[C@H]1C1CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604276474 1350907427 /nfs/dbraw/zinc/90/74/27/1350907427.db2.gz ASRADQFTKZDDRU-PZSREKOKSA-N -1 0 332.356 2.447 20 5 EEBDRM C[C@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC001604363572 1350923984 /nfs/dbraw/zinc/92/39/84/1350923984.db2.gz JPOJEULQQIKAJI-NSHDSACASA-N -1 0 343.339 2.410 20 5 EEBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])co1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001604408302 1350931672 /nfs/dbraw/zinc/93/16/72/1350931672.db2.gz YCWFWFLGDALVSI-MRVPVSSYSA-N -1 0 348.267 2.070 20 5 EEBDRM CC1(C)O[C@@H]2C[C@@H](Nc3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C[C@@H]2O1 ZINC001604561713 1350960776 /nfs/dbraw/zinc/96/07/76/1350960776.db2.gz KBIYKSNSVQBGEH-OJNYZHBWSA-N -1 0 336.344 2.316 20 5 EEBDRM CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001604956600 1351038961 /nfs/dbraw/zinc/03/89/61/1351038961.db2.gz YYONLKVXYHOGEM-JTQLQIEISA-N -1 0 344.389 2.350 20 5 EEBDRM CCOC(=O)c1cc(N2CCC[C@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001605564669 1351191590 /nfs/dbraw/zinc/19/15/90/1351191590.db2.gz FWADCQFWNUZNKW-INIZCTEOSA-N -1 0 336.344 2.463 20 5 EEBDRM CCOc1cc(N2CCC3(CC(C(=O)[O-])=NO3)CC2)ccc1[N+](=O)[O-] ZINC001605672173 1351214832 /nfs/dbraw/zinc/21/48/32/1351214832.db2.gz PEIFQDDICJCSGA-UHFFFAOYSA-N -1 0 349.343 2.193 20 5 EEBDRM O=C(Cn1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1)c1ccc2ccccc2c1 ZINC001606616132 1351332709 /nfs/dbraw/zinc/33/27/09/1351332709.db2.gz JKAZOQFMRNLJGN-UHFFFAOYSA-N -1 0 349.310 2.008 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC001606834233 1351364242 /nfs/dbraw/zinc/36/42/42/1351364242.db2.gz LSIWTKASQGEEMK-MRXNPFEDSA-N -1 0 331.328 2.213 20 5 EEBDRM COc1cc(C(=O)[O-])cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1O ZINC001607093465 1351414964 /nfs/dbraw/zinc/41/49/64/1351414964.db2.gz WDJVLNZNUVKXKB-UHFFFAOYSA-N -1 0 346.295 2.188 20 5 EEBDRM COc1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])nn1 ZINC001607261173 1351460791 /nfs/dbraw/zinc/46/07/91/1351460791.db2.gz IXIWLIVSAFROBC-UHFFFAOYSA-N -1 0 338.707 2.357 20 5 EEBDRM C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1CC(=O)[O-] ZINC001607434577 1351494091 /nfs/dbraw/zinc/49/40/91/1351494091.db2.gz BWLZIKZLTLKNAX-NXEZZACHSA-N -1 0 331.328 2.259 20 5 EEBDRM Cc1[nH]nc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001607500559 1351506162 /nfs/dbraw/zinc/50/61/62/1351506162.db2.gz RQAKHFAEBMLUEB-MRVPVSSYSA-N -1 0 332.316 2.142 20 5 EEBDRM Cc1ccc(N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c([N+](=O)[O-])c1 ZINC001607793827 1351559871 /nfs/dbraw/zinc/55/98/71/1351559871.db2.gz QDWUINWCDZDTCD-KRWDZBQOSA-N -1 0 334.372 2.489 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001607825137 1351565854 /nfs/dbraw/zinc/56/58/54/1351565854.db2.gz PILVCIBNSAIMNM-UHFFFAOYSA-N -1 0 329.312 2.486 20 5 EEBDRM Cc1ncc2c(n1)CC[C@H](Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C2 ZINC001607988020 1351598908 /nfs/dbraw/zinc/59/89/08/1351598908.db2.gz XFEUVHDXSJHYRH-ZDUSSCGKSA-N -1 0 342.355 2.290 20 5 EEBDRM Cc1oc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001608048675 1351614202 /nfs/dbraw/zinc/61/42/02/1351614202.db2.gz QIDJYABEPJVZRD-MRXNPFEDSA-N -1 0 334.328 2.192 20 5 EEBDRM Cn1nc(C(=O)[O-])cc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001608144847 1351634310 /nfs/dbraw/zinc/63/43/10/1351634310.db2.gz BVHTXHOOPBZCPH-UHFFFAOYSA-N -1 0 342.670 2.071 20 5 EEBDRM NC(=O)C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001608231514 1351653037 /nfs/dbraw/zinc/65/30/37/1351653037.db2.gz SCSBZXVYRRMSMB-MRVPVSSYSA-N -1 0 341.751 2.038 20 5 EEBDRM O=C([O-])[C@H](Cc1ccccc1)OC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001608342910 1351674860 /nfs/dbraw/zinc/67/48/60/1351674860.db2.gz LCZBUQILRNIQPF-HNNXBMFYSA-N -1 0 344.323 2.246 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)NCCc1ccc([N+](=O)[O-])cc1)CC2 ZINC001608452776 1351698176 /nfs/dbraw/zinc/69/81/76/1351698176.db2.gz YHPHXCHVJKOZEZ-PBHICJAKSA-N -1 0 347.371 2.176 20 5 EEBDRM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cc([S-])ccc1F ZINC000798718551 1371605038 /nfs/dbraw/zinc/60/50/38/1371605038.db2.gz DMWKKGJNOXTLSY-UHFFFAOYSA-N -1 0 338.316 2.041 20 5 EEBDRM CNc1nnc(Sc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])s1 ZINC001606315064 1404789727 /nfs/dbraw/zinc/78/97/27/1404789727.db2.gz GRRDJINUNWVXJL-UHFFFAOYSA-N -1 0 327.347 2.041 20 5 EEBDRM O=C(CC1CCCCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160777 775483907 /nfs/dbraw/zinc/48/39/07/775483907.db2.gz POSSFXPMNDDNHV-UHFFFAOYSA-N -1 0 332.403 2.432 20 5 EEBDRM O=C([O-])c1ccnc(N2C[C@@H]3C[C@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000906152053 783741330 /nfs/dbraw/zinc/74/13/30/783741330.db2.gz MEYNBELWCZOOER-YVEFUNNKSA-N -1 0 325.324 2.466 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@]2(C)CC2(F)F)cc([N+](=O)[O-])c1C ZINC000817711232 784948628 /nfs/dbraw/zinc/94/86/28/784948628.db2.gz XMKFNKYCKNOORE-LBPRGKRZSA-N -1 0 348.327 2.062 20 5 EEBDRM CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1O ZINC000819365328 785534296 /nfs/dbraw/zinc/53/42/96/785534296.db2.gz FLKINDMWBBRCAA-UHFFFAOYSA-N -1 0 346.295 2.435 20 5 EEBDRM O=C([O-])c1ccnc(N2CCN(c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000910345195 786675622 /nfs/dbraw/zinc/67/56/22/786675622.db2.gz TVRAWVXYQGPDAU-UHFFFAOYSA-N -1 0 346.318 2.154 20 5 EEBDRM CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)[O-] ZINC000844159434 788905572 /nfs/dbraw/zinc/90/55/72/788905572.db2.gz UKHACODOZJULHR-LBPRGKRZSA-N -1 0 349.387 2.426 20 5 EEBDRM Cc1ccc(N2CCC(n3cc(C(=O)[O-])nn3)CC2)c([N+](=O)[O-])c1 ZINC000844217260 788907411 /nfs/dbraw/zinc/90/74/11/788907411.db2.gz FPUXNHZPYSKILU-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM O=C([O-])[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000517417076 939247943 /nfs/dbraw/zinc/24/79/43/939247943.db2.gz XTKZWPNPEDFMLG-OAHLLOKOSA-N -1 0 343.339 2.262 20 5 EEBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCC(=O)[O-] ZINC001611118690 970897039 /nfs/dbraw/zinc/89/70/39/970897039.db2.gz ROBLONRGUQCAOY-UHFFFAOYSA-N -1 0 345.149 2.212 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001589382683 954289067 /nfs/dbraw/zinc/28/90/67/954289067.db2.gz JVBAJAYSJIKVBO-JTNHKYCSSA-N -1 0 335.360 2.408 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001593755341 954447689 /nfs/dbraw/zinc/44/76/89/954447689.db2.gz IHALGVDYADINLK-UHFFFAOYSA-N -1 0 344.327 2.394 20 5 EEBDRM CC[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001589551555 955219247 /nfs/dbraw/zinc/21/92/47/955219247.db2.gz HMVFNMIERCRFAC-SMDDNHRTSA-N -1 0 332.360 2.118 20 5 EEBDRM C[C@@H](OC(=O)C1(CC(=O)[O-])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001589158150 956380696 /nfs/dbraw/zinc/38/06/96/956380696.db2.gz BUVOBGXGQVUEQK-LLVKDONJSA-N -1 0 337.328 2.471 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001589184709 956554287 /nfs/dbraw/zinc/55/42/87/956554287.db2.gz ATLULAAEIMBSRC-AWEZNQCLSA-N -1 0 344.726 2.396 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001589185180 956557957 /nfs/dbraw/zinc/55/79/57/956557957.db2.gz YAYAWFGWDSQLSJ-CYBMUJFWSA-N -1 0 345.714 2.049 20 5 EEBDRM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594689348 956736477 /nfs/dbraw/zinc/73/64/77/956736477.db2.gz NVSFUKIWZPOPOW-AOOOYVTPSA-N -1 0 326.736 2.160 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001337282026 961979029 /nfs/dbraw/zinc/97/90/29/961979029.db2.gz QDGIDSIYNVVHIH-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM CC(C)C[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC001588894102 962219808 /nfs/dbraw/zinc/21/98/08/962219808.db2.gz BEHYIGPYJADACD-JTQLQIEISA-N -1 0 338.364 2.436 20 5 EEBDRM C[C@H](C(=O)[O-])C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC001609705873 970477720 /nfs/dbraw/zinc/47/77/20/970477720.db2.gz IISJEGOJPBAEHA-ZCFIWIBFSA-N -1 0 332.106 2.121 20 5 EEBDRM Cc1cc(OCC(=O)Nc2cccnc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605216571 972959744 /nfs/dbraw/zinc/95/97/44/972959744.db2.gz DVEUIYMFEALTQF-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM O=C([O-])CN1CCCC[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC001606259025 973617548 /nfs/dbraw/zinc/61/75/48/973617548.db2.gz NWNCDUHKBJJGOI-JTQLQIEISA-N -1 0 341.751 2.126 20 5 EEBDRM O=C([O-])[C@@H]1OCC[C@@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000716234996 977822722 /nfs/dbraw/zinc/82/27/22/977822722.db2.gz MBRUPHWWAXRXER-RDDDGLTNSA-N -1 0 345.149 2.259 20 5 EEBDRM C[C@@H](CC(=O)OC(C)(C)C)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001592428336 978049815 /nfs/dbraw/zinc/04/98/15/978049815.db2.gz AVLJLTORESVDED-QMMMGPOBSA-N -1 0 325.321 2.220 20 5 EEBDRM C[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001592730500 979249395 /nfs/dbraw/zinc/24/93/95/979249395.db2.gz WNROFYXHADFOLP-QMMMGPOBSA-N -1 0 325.321 2.078 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC[C@@H]3CSC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000864216052 979903971 /nfs/dbraw/zinc/90/39/71/979903971.db2.gz AIWUFGWWIMZSCB-SKDRFNHKSA-N -1 0 336.369 2.118 20 5 EEBDRM C[C@@](NC(=O)[C@@H]1CCCSC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593007260 980225073 /nfs/dbraw/zinc/22/50/73/980225073.db2.gz PLVJEXAMIUTOEH-BMIGLBTASA-N -1 0 338.385 2.154 20 5 EEBDRM CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001595996047 983252038 /nfs/dbraw/zinc/25/20/38/983252038.db2.gz VQQOPHVITIHZBK-SECBINFHSA-N -1 0 332.259 2.179 20 5 EEBDRM CCOc1cc(NC(=O)c2ccoc2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001597043467 986500686 /nfs/dbraw/zinc/50/06/86/986500686.db2.gz VJBFPGASBCDHHW-UHFFFAOYSA-N -1 0 334.284 2.466 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC(CC(=O)[O-])C1 ZINC001597142660 986889571 /nfs/dbraw/zinc/88/95/71/986889571.db2.gz FSPHGTBNFJWDAI-UHFFFAOYSA-N -1 0 337.332 2.368 20 5 EEBDRM CC(C)(C(=O)NC[C@@H](CC1CC1)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589567436 987333345 /nfs/dbraw/zinc/33/33/45/987333345.db2.gz PMTNCDDPFWLXPK-GFCCVEGCSA-N -1 0 334.372 2.490 20 5 EEBDRM CC[C@@H](NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001597286261 987367051 /nfs/dbraw/zinc/36/70/51/987367051.db2.gz SUDCTOYMCCCKRI-RQJABVFESA-N -1 0 333.344 2.018 20 5 EEBDRM CC(C)(C(=O)OCC1(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1F ZINC001589681229 987710470 /nfs/dbraw/zinc/71/04/70/987710470.db2.gz NSOVBEGGUFODSU-UHFFFAOYSA-N -1 0 325.292 2.420 20 5 EEBDRM CSc1cccc(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001599821437 988520418 /nfs/dbraw/zinc/52/04/18/988520418.db2.gz BKBVBSCSOWUXNP-VFZGTOFNSA-N -1 0 338.385 2.500 20 5 EEBDRM C[C@@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC001599868153 989304774 /nfs/dbraw/zinc/30/47/74/989304774.db2.gz GJBVRGPKQAHFGB-HQJQHLMTSA-N -1 0 334.250 2.292 20 5 EEBDRM CCn1cnc2c1CCN(c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])C2 ZINC001597923164 989861582 /nfs/dbraw/zinc/86/15/82/989861582.db2.gz WYIOGMCKSQROFM-UHFFFAOYSA-N -1 0 330.344 2.381 20 5 EEBDRM CC(C)[C@]1(C)C[C@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001591061169 991498166 /nfs/dbraw/zinc/49/81/66/991498166.db2.gz FEFBFJZLHBSBED-CJNGLKHVSA-N -1 0 335.360 2.256 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001598501769 992443892 /nfs/dbraw/zinc/44/38/92/992443892.db2.gz FFPLTTBTENRXFK-UHFFFAOYSA-N -1 0 346.299 2.275 20 5 EEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C(=O)[O-])on1 ZINC001591600386 992831057 /nfs/dbraw/zinc/83/10/57/992831057.db2.gz OAFHFGFSZIJMKH-UHFFFAOYSA-N -1 0 333.300 2.332 20 5 EEBDRM CNc1nc(C)ccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001598680739 994923831 /nfs/dbraw/zinc/92/38/31/994923831.db2.gz DLWLDODNMGOHHC-UHFFFAOYSA-N -1 0 330.300 2.290 20 5 EEBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc(C2CC2)no1 ZINC001593556619 995645573 /nfs/dbraw/zinc/64/55/73/995645573.db2.gz ROOCUESXDWUQLW-SSDOTTSWSA-N -1 0 347.283 2.471 20 5 EEBDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001593689856 996134637 /nfs/dbraw/zinc/13/46/37/996134637.db2.gz LFYWOWAFVSKJRG-LLVKDONJSA-N -1 0 346.343 2.164 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001593787726 996504091 /nfs/dbraw/zinc/50/40/91/996504091.db2.gz KOGUWVNCEMAZHU-CQSZACIVSA-N -1 0 326.736 2.114 20 5 EEBDRM COc1ccc([C@@H](NCc2csc([N+](=O)[O-])c2)C(=O)[O-])cc1O ZINC001599532379 997680249 /nfs/dbraw/zinc/68/02/49/997680249.db2.gz SLNDJDHHCMMBJN-CYBMUJFWSA-N -1 0 338.341 2.286 20 5 EEBDRM CO[C@@H]1COCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599137344 998065441 /nfs/dbraw/zinc/06/54/41/998065441.db2.gz AWAJSCKUQOJLDU-GZMMTYOYSA-N -1 0 344.751 2.410 20 5 EEBDRM COc1cc(C(=O)NCc2ccc(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC001599353527 998138114 /nfs/dbraw/zinc/13/81/14/998138114.db2.gz CTUXMGNNIOXJTQ-UHFFFAOYSA-N -1 0 336.325 2.293 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC001594170400 998654287 /nfs/dbraw/zinc/65/42/87/998654287.db2.gz DDPXVCPFENCATP-DGCLKSJQSA-N -1 0 347.371 2.130 20 5 EEBDRM CO[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])[C@@H]1CCOC1 ZINC001599055198 999224563 /nfs/dbraw/zinc/22/45/63/999224563.db2.gz IROFXAGUDXVYEP-PRHODGIISA-N -1 0 344.751 2.410 20 5 EEBDRM C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001594396895 999496104 /nfs/dbraw/zinc/49/61/04/999496104.db2.gz SGCGYCKZTFCGPK-WCQYABFASA-N -1 0 336.344 2.075 20 5 EEBDRM O=C([O-])C1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000237996097 304033163 /nfs/dbraw/zinc/03/31/63/304033163.db2.gz MYDRRGUDUVBSMJ-UHFFFAOYSA-N -1 0 333.325 2.065 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(=O)[O-] ZINC000236732183 299244947 /nfs/dbraw/zinc/24/49/47/299244947.db2.gz WMOFQOPUDTXRLV-NSHDSACASA-N -1 0 335.360 2.034 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1 ZINC000192994007 239968252 /nfs/dbraw/zinc/96/82/52/239968252.db2.gz XEJCTNZWYWAIDX-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)o2)c(Cl)c1 ZINC000194726557 240689212 /nfs/dbraw/zinc/68/92/12/240689212.db2.gz BAQGYGQOVHIEBY-UHFFFAOYSA-N -1 0 344.736 2.309 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000236767286 242351176 /nfs/dbraw/zinc/35/11/76/242351176.db2.gz QMDLNUDFMYNCKH-UHFFFAOYSA-N -1 0 346.343 2.106 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000262649635 245095894 /nfs/dbraw/zinc/09/58/94/245095894.db2.gz KCYGEXLLOYCIGL-UHFFFAOYSA-N -1 0 345.355 2.378 20 5 EEBDRM CC(C)[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262908275 245245726 /nfs/dbraw/zinc/24/57/26/245245726.db2.gz ROFUOMCLLXRLAS-CYBMUJFWSA-N -1 0 344.751 2.243 20 5 EEBDRM O=C([O-])c1cccc2c1N(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000367167113 304266009 /nfs/dbraw/zinc/26/60/09/304266009.db2.gz XYFYFIICUOYHJX-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM C[S@@](=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000179519285 255924789 /nfs/dbraw/zinc/92/47/89/255924789.db2.gz ZEETXLHBVMEKMA-JBEBIEQOSA-N -1 0 348.380 2.150 20 5 EEBDRM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000276862305 256474668 /nfs/dbraw/zinc/47/46/68/256474668.db2.gz GDOQASHNWMEBQY-DTWKUNHWSA-N -1 0 333.348 2.423 20 5 EEBDRM CCOCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000360729703 286098679 /nfs/dbraw/zinc/09/86/79/286098679.db2.gz RCZNRYNRCFUFKS-UHFFFAOYSA-N -1 0 343.188 2.216 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000262590975 152294220 /nfs/dbraw/zinc/29/42/20/152294220.db2.gz HRHOZAAUSULWPF-NSHDSACASA-N -1 0 335.360 2.251 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000263104825 152376216 /nfs/dbraw/zinc/37/62/16/152376216.db2.gz BGVVJVSPSKHMSK-QWHCGFSZSA-N -1 0 349.387 2.356 20 5 EEBDRM O=C([O-])COc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000354171843 153153276 /nfs/dbraw/zinc/15/32/76/153153276.db2.gz LLSWNMARVUJWBA-UHFFFAOYSA-N -1 0 345.311 2.109 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000327410232 160545369 /nfs/dbraw/zinc/54/53/69/160545369.db2.gz HSXQRNIYCZEOHT-GFCCVEGCSA-N -1 0 342.307 2.189 20 5 EEBDRM CCC[C@@H](C)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1=O ZINC000092545933 159222238 /nfs/dbraw/zinc/22/22/38/159222238.db2.gz QVNXNOWLZFZAOO-GHMZBOCLSA-N -1 0 335.360 2.276 20 5 EEBDRM Cc1cccnc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000104753151 159290669 /nfs/dbraw/zinc/29/06/69/159290669.db2.gz DODWVICKOUMTHG-UHFFFAOYSA-N -1 0 341.776 2.430 20 5 EEBDRM COCc1nsc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000133751831 292420879 /nfs/dbraw/zinc/42/08/79/292420879.db2.gz XWJGRFWTFCQXBA-UHFFFAOYSA-N -1 0 328.737 2.498 20 5 EEBDRM O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000184916898 160020788 /nfs/dbraw/zinc/02/07/88/160020788.db2.gz UHTDXHRIRRXHRN-GFCCVEGCSA-N -1 0 341.323 2.156 20 5 EEBDRM CCC(CC)[C@@H](O)CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189998122 160153755 /nfs/dbraw/zinc/15/37/55/160153755.db2.gz BAOHEJCUKOZQME-ZDUSSCGKSA-N -1 0 344.433 2.287 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000238127881 160228055 /nfs/dbraw/zinc/22/80/55/160228055.db2.gz JZEQEDFEKSFREE-UHFFFAOYSA-N -1 0 340.295 2.351 20 5 EEBDRM CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000338215448 160723477 /nfs/dbraw/zinc/72/34/77/160723477.db2.gz CNIGXLLXWLELPN-UHFFFAOYSA-N -1 0 342.354 2.180 20 5 EEBDRM Cc1sc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000342382671 161061235 /nfs/dbraw/zinc/06/12/35/161061235.db2.gz KVXOSFQOMCTJSV-UHFFFAOYSA-N -1 0 342.354 2.494 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccn(-c3ccccc3)n2)[nH]1 ZINC000352014893 162028270 /nfs/dbraw/zinc/02/82/70/162028270.db2.gz UIXYYKZNPWJIRX-SREVYHEPSA-N -1 0 325.284 2.152 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000359641751 164143885 /nfs/dbraw/zinc/14/38/85/164143885.db2.gz WHVPPOASDJYRLW-UHFFFAOYSA-N -1 0 343.748 2.458 20 5 EEBDRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000275175392 269100382 /nfs/dbraw/zinc/10/03/82/269100382.db2.gz WAGBITOEALJCKO-TVQRCGJNSA-N -1 0 344.389 2.023 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000292583895 275450986 /nfs/dbraw/zinc/45/09/86/275450986.db2.gz PMEXZNLYAZZJBV-GJZGRUSLSA-N -1 0 332.356 2.474 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262841644 279404256 /nfs/dbraw/zinc/40/42/56/279404256.db2.gz URWLYFRRWITIRH-SECBINFHSA-N -1 0 344.751 2.337 20 5 EEBDRM CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H](c2ccccc2)C1 ZINC000130343667 290032137 /nfs/dbraw/zinc/03/21/37/290032137.db2.gz CQGZIJXXYQMJHZ-MRXNPFEDSA-N -1 0 341.367 2.429 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000294418970 293449092 /nfs/dbraw/zinc/44/90/92/293449092.db2.gz YJGKTPDPKGTUAR-HNNXBMFYSA-N -1 0 332.356 2.332 20 5 EEBDRM O=c1nc([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2Cl)[nH][n-]1 ZINC000295397602 293705547 /nfs/dbraw/zinc/70/55/47/293705547.db2.gz VUTNDRWZBQMIHM-GFCCVEGCSA-N -1 0 337.767 2.387 20 5 EEBDRM COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1F ZINC000170877563 311397927 /nfs/dbraw/zinc/39/79/27/311397927.db2.gz POYMDIVTSYIYDI-UHFFFAOYSA-N -1 0 334.303 2.421 20 5 EEBDRM CC(C)c1nc2c(n1C)CCN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000332595168 312031636 /nfs/dbraw/zinc/03/16/36/312031636.db2.gz OTTANMRUUNYFNS-UHFFFAOYSA-N -1 0 344.371 2.356 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](CC)CN1C(C)=O ZINC000436967525 315017983 /nfs/dbraw/zinc/01/79/83/315017983.db2.gz PUASRQWMJLLXOT-OLZOCXBDSA-N -1 0 349.387 2.162 20 5 EEBDRM CCc1ccc([C@@H](CO)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436975881 315018894 /nfs/dbraw/zinc/01/88/94/315018894.db2.gz AGIBYCQQTQCYCX-CQSZACIVSA-N -1 0 330.340 2.326 20 5 EEBDRM Nc1c(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000449005726 315408973 /nfs/dbraw/zinc/40/89/73/315408973.db2.gz WWCYBQDNDADMHW-LBPRGKRZSA-N -1 0 335.360 2.330 20 5 EEBDRM CCCc1n[nH]c(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000449135549 315421564 /nfs/dbraw/zinc/42/15/64/315421564.db2.gz QCKMAQMRJXDGNV-SNVBAGLBSA-N -1 0 340.380 2.280 20 5 EEBDRM CNc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000539603377 318057516 /nfs/dbraw/zinc/05/75/16/318057516.db2.gz BVUCPEIKRNBSKK-ZDUSSCGKSA-N -1 0 343.339 2.235 20 5 EEBDRM O=C(Nc1ncn(Cc2ccccc2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000540944779 318086544 /nfs/dbraw/zinc/08/65/44/318086544.db2.gz KUCUQERRJLCLDK-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM COc1cccnc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000544625913 318193302 /nfs/dbraw/zinc/19/33/02/318193302.db2.gz JTQORFUZQQTGQX-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-])c1C ZINC000548225611 318366467 /nfs/dbraw/zinc/36/64/67/318366467.db2.gz XDVGDVIDWVHFRJ-LLVKDONJSA-N -1 0 344.389 2.084 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](n3ccnc3)C2)n1 ZINC000563205568 318983917 /nfs/dbraw/zinc/98/39/17/318983917.db2.gz LLJIQUQETOGGDN-ZWNOBZJWSA-N -1 0 345.359 2.280 20 5 EEBDRM CC(C)c1ncc(CN(C)c2ncc(C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000563960962 319059974 /nfs/dbraw/zinc/05/99/74/319059974.db2.gz XKCXJTUXAPUIKR-UHFFFAOYSA-N -1 0 331.332 2.238 20 5 EEBDRM O=C([O-])c1csc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000564092075 319066595 /nfs/dbraw/zinc/06/65/95/319066595.db2.gz FPILLOHMWZAZOE-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM C[C@@H]1CCCCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000564447926 319085584 /nfs/dbraw/zinc/08/55/84/319085584.db2.gz GXCRKEOYXTYXFK-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM CC[C@H](C[C@@H](C)CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565027531 319140550 /nfs/dbraw/zinc/14/05/50/319140550.db2.gz URCXGPFTGIOPMC-PSASIEDQSA-N -1 0 330.768 2.481 20 5 EEBDRM COc1cccc2c1C[C@@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000565837074 319219418 /nfs/dbraw/zinc/21/94/18/319219418.db2.gz XSJGQEUPBHNGFO-JTQLQIEISA-N -1 0 329.312 2.276 20 5 EEBDRM CCCCc1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000566229133 319262853 /nfs/dbraw/zinc/26/28/53/319262853.db2.gz IKSKJLNCEJUUGB-UHFFFAOYSA-N -1 0 326.334 2.121 20 5 EEBDRM CCOc1cc(N2CCC[C@](COC)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000569813838 319610659 /nfs/dbraw/zinc/61/06/59/319610659.db2.gz NMNPUZRUCXKJSI-INIZCTEOSA-N -1 0 338.360 2.311 20 5 EEBDRM C[C@@]1(CO)CCC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000569974266 319625595 /nfs/dbraw/zinc/62/55/95/319625595.db2.gz FCENIHSIYLNXNI-RISCZKNCSA-N -1 0 328.752 2.235 20 5 EEBDRM CC[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000571321474 319745158 /nfs/dbraw/zinc/74/51/58/319745158.db2.gz ZGFZWYMSFZDPOO-SNVBAGLBSA-N -1 0 342.373 2.246 20 5 EEBDRM CC(C)Oc1cc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])ccn1 ZINC000574759631 320054356 /nfs/dbraw/zinc/05/43/56/320054356.db2.gz NAFBCUMCOUYLBW-UHFFFAOYSA-N -1 0 332.316 2.482 20 5 EEBDRM Cc1cn2c(n1)[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])CCC2 ZINC000576878098 320212207 /nfs/dbraw/zinc/21/22/07/320212207.db2.gz YFHZBULUJAIPFY-JTQLQIEISA-N -1 0 331.332 2.182 20 5 EEBDRM Cc1cc([N-]C(=O)c2nc(Cc3ccccc3[N+](=O)[O-])no2)no1 ZINC000612864405 449916533 /nfs/dbraw/zinc/91/65/33/449916533.db2.gz VPAYRFDDHHDKHN-UHFFFAOYSA-N -1 0 329.272 2.117 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)ccc1[N+](=O)[O-] ZINC000083955453 463569047 /nfs/dbraw/zinc/56/90/47/463569047.db2.gz WEBRIGPBBGELQY-UHFFFAOYSA-N -1 0 340.386 2.433 20 5 EEBDRM COc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000336880483 465076711 /nfs/dbraw/zinc/07/67/11/465076711.db2.gz QKLYIBALSLZOLJ-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM CCc1ccc([C@H](CO)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000351659642 465277645 /nfs/dbraw/zinc/27/76/45/465277645.db2.gz UBOZIOTZQQTCRF-AWEZNQCLSA-N -1 0 330.340 2.326 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnc(C(F)(F)F)nc1 ZINC000133109020 462900529 /nfs/dbraw/zinc/90/05/29/462900529.db2.gz CZYNAUZBIFELCT-UHFFFAOYSA-N -1 0 328.206 2.362 20 5 EEBDRM O=C([O-])COc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000020503403 463027765 /nfs/dbraw/zinc/02/77/65/463027765.db2.gz ZYSAFRDQEOHBRK-UHFFFAOYSA-N -1 0 346.295 2.076 20 5 EEBDRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000134756988 463078850 /nfs/dbraw/zinc/07/88/50/463078850.db2.gz BOFLNBZCMYIJOB-UHFFFAOYSA-N -1 0 341.345 2.263 20 5 EEBDRM O=C(Nc1nnc(-c2ccccn2)s1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159314734 463278579 /nfs/dbraw/zinc/27/85/79/463278579.db2.gz QEQCQRWOHSSAOZ-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000262083625 463941627 /nfs/dbraw/zinc/94/16/27/463941627.db2.gz QSRRNSJPTQLWRB-UHFFFAOYSA-N -1 0 336.344 2.123 20 5 EEBDRM Cc1ccc(NCCCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)nc1 ZINC000172363834 464064158 /nfs/dbraw/zinc/06/41/58/464064158.db2.gz JJXXVDNENSSCPW-UHFFFAOYSA-N -1 0 330.344 2.236 20 5 EEBDRM CC(C)[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263576529 464132994 /nfs/dbraw/zinc/13/29/94/464132994.db2.gz QNWRBXUGUHNWST-GFCCVEGCSA-N -1 0 332.715 2.155 20 5 EEBDRM CC[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCC1=O ZINC000180786643 464394291 /nfs/dbraw/zinc/39/42/91/464394291.db2.gz DGDAUVDWKFDTTQ-SNVBAGLBSA-N -1 0 341.751 2.293 20 5 EEBDRM Cn1cnc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c2)n1 ZINC000180869699 464411338 /nfs/dbraw/zinc/41/13/38/464411338.db2.gz NDXMJDUDESAMIV-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM COCc1cnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000285226270 464493953 /nfs/dbraw/zinc/49/39/53/464493953.db2.gz YHXDTAHIQWLCGP-UHFFFAOYSA-N -1 0 343.386 2.307 20 5 EEBDRM CSCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285240379 464498104 /nfs/dbraw/zinc/49/81/04/464498104.db2.gz RDYKJFUPHNMJRH-UHFFFAOYSA-N -1 0 342.801 2.419 20 5 EEBDRM CCOC(=O)[C@@H](CC)N(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000276226489 464853434 /nfs/dbraw/zinc/85/34/34/464853434.db2.gz NGKPILLZSWVZLZ-CYBMUJFWSA-N -1 0 336.344 2.247 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000337651305 465495904 /nfs/dbraw/zinc/49/59/04/465495904.db2.gz LJILJVMJSCREBP-MRXNPFEDSA-N -1 0 345.330 2.226 20 5 EEBDRM CCCC[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000192723738 464984633 /nfs/dbraw/zinc/98/46/33/464984633.db2.gz PSSIUWYBKGAACP-LBPRGKRZSA-N -1 0 346.343 2.154 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000193018502 465023207 /nfs/dbraw/zinc/02/32/07/465023207.db2.gz QVUDNBSFYPOTKU-UHFFFAOYSA-N -1 0 346.343 2.182 20 5 EEBDRM O=C(CC1CCCCC1)NCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356500999 465421004 /nfs/dbraw/zinc/42/10/04/465421004.db2.gz ASSCYAIFRWXITP-UHFFFAOYSA-N -1 0 349.387 2.117 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000593962973 468445066 /nfs/dbraw/zinc/44/50/66/468445066.db2.gz XNBBNTBUELTLDT-NSHDSACASA-N -1 0 339.348 2.472 20 5 EEBDRM Cn1cnc(-c2cccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)c2)n1 ZINC000357896827 466299467 /nfs/dbraw/zinc/29/94/67/466299467.db2.gz JCESTVOXOXAFSX-UHFFFAOYSA-N -1 0 339.311 2.348 20 5 EEBDRM CC1CCC(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000315928013 466565541 /nfs/dbraw/zinc/56/55/41/466565541.db2.gz QOAPETBIVKAPQB-UHFFFAOYSA-N -1 0 328.390 2.405 20 5 EEBDRM C[C@@H](Cc1cccs1)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000316797823 466574688 /nfs/dbraw/zinc/57/46/88/466574688.db2.gz GVFKZCGIQFUARS-VIFPVBQESA-N -1 0 342.398 2.271 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCCNc2ccccc2F)n1 ZINC000582065177 468502932 /nfs/dbraw/zinc/50/29/32/468502932.db2.gz CNIBLVIVDJAWGL-UHFFFAOYSA-N -1 0 348.334 3.050 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378602702 467351957 /nfs/dbraw/zinc/35/19/57/467351957.db2.gz XZURWPHMYFLMMY-KRWDZBQOSA-N -1 0 346.314 2.173 20 5 EEBDRM CCc1nn(C)c(N2CCc3ccc(C(=O)[O-])cc3C2)c1[N+](=O)[O-] ZINC000392081431 467425430 /nfs/dbraw/zinc/42/54/30/467425430.db2.gz VVSZCZRKWMQXSM-UHFFFAOYSA-N -1 0 330.344 2.152 20 5 EEBDRM O=C([O-])C1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000435711997 467489535 /nfs/dbraw/zinc/48/95/35/467489535.db2.gz WBKXYXUAIQNXOP-UHFFFAOYSA-N -1 0 332.356 2.371 20 5 EEBDRM Cc1ccc(-c2cc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)[nH]n2)o1 ZINC000447805052 467588707 /nfs/dbraw/zinc/58/87/07/467588707.db2.gz HAESOEGPQJSRSI-UHFFFAOYSA-N -1 0 328.284 2.844 20 5 EEBDRM CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000457346106 467806815 /nfs/dbraw/zinc/80/68/15/467806815.db2.gz SWBBYGXGTSBMNR-UHFFFAOYSA-N -1 0 332.360 2.332 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000493110296 467842585 /nfs/dbraw/zinc/84/25/85/467842585.db2.gz ZRPQDEHYMPZDBI-RDOCRHDPSA-N -1 0 334.357 2.228 20 5 EEBDRM CCC(C)(CC)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000514934411 467963991 /nfs/dbraw/zinc/96/39/91/467963991.db2.gz KAYWUDWIDLFNRL-UHFFFAOYSA-N -1 0 330.362 2.150 20 5 EEBDRM C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000519066438 468139204 /nfs/dbraw/zinc/13/92/04/468139204.db2.gz CAEMYGGUZRKRIO-SMDDNHRTSA-N -1 0 335.360 2.032 20 5 EEBDRM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578535291 468214647 /nfs/dbraw/zinc/21/46/47/468214647.db2.gz HBSPWVMITCGIMM-RKDXNWHRSA-N -1 0 328.752 2.187 20 5 EEBDRM CC[C@H]1CN(CCNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CCO1 ZINC000582490708 468548550 /nfs/dbraw/zinc/54/85/50/468548550.db2.gz CQBIFVKWWPKXJX-LBPRGKRZSA-N -1 0 337.376 2.124 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000600871252 468672273 /nfs/dbraw/zinc/67/22/73/468672273.db2.gz CXVFVLCZCCOSES-UHFFFAOYSA-N -1 0 347.371 2.395 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCC(F)(F)C2)cc([N+](=O)[O-])c1 ZINC000600871098 468672278 /nfs/dbraw/zinc/67/22/78/468672278.db2.gz BBEUAYFECHIGIN-MRVPVSSYSA-N -1 0 328.271 2.458 20 5 EEBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)C[C@H](OC)C(C)C ZINC000592381812 468686155 /nfs/dbraw/zinc/68/61/55/468686155.db2.gz FVWAXFRKUVBVTK-AWEZNQCLSA-N -1 0 346.405 2.154 20 5 EEBDRM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](C)C(=O)OC(C)(C)C ZINC000597868134 468699379 /nfs/dbraw/zinc/69/93/79/468699379.db2.gz FLXDMTDCNVBTBO-JTQLQIEISA-N -1 0 338.360 2.493 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000583997086 468783950 /nfs/dbraw/zinc/78/39/50/468783950.db2.gz SOAQAEDCGGMFKY-AWEZNQCLSA-N -1 0 347.302 2.405 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000595252488 468793504 /nfs/dbraw/zinc/79/35/04/468793504.db2.gz ZWAABXCWIUOECB-MLGOLLRUSA-N -1 0 331.328 2.449 20 5 EEBDRM O=C([O-])c1cnc(N2C[C@]34COC[C@@]3(C2)CCCC4)c([N+](=O)[O-])c1 ZINC000595280293 468799469 /nfs/dbraw/zinc/79/94/69/468799469.db2.gz ABZKHWOXZYTSEK-IYBDPMFKSA-N -1 0 333.344 2.085 20 5 EEBDRM Cc1cc(NCc2ccnc(N(C)C)n2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584116027 468802882 /nfs/dbraw/zinc/80/28/82/468802882.db2.gz FFAFIDDIFBXSCG-UHFFFAOYSA-N -1 0 331.332 2.070 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(c3ccccc3)CC2)n1 ZINC000592964006 468829243 /nfs/dbraw/zinc/82/92/43/468829243.db2.gz NIPPMQTUOGZBRG-UHFFFAOYSA-N -1 0 342.355 2.323 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593290332 468930176 /nfs/dbraw/zinc/93/01/76/468930176.db2.gz FWLCZFAGFFLVOJ-LDYMZIIASA-N -1 0 341.751 2.124 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000598661213 468949781 /nfs/dbraw/zinc/94/97/81/468949781.db2.gz FRYOQNYBZQZERR-HNNXBMFYSA-N -1 0 335.360 2.156 20 5 EEBDRM CCOC(=O)CCN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000610493047 468984555 /nfs/dbraw/zinc/98/45/55/468984555.db2.gz MBIABSFYWTTWHR-UHFFFAOYSA-N -1 0 336.344 2.106 20 5 EEBDRM O=C1N[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)N2CCc3ccccc3[C@H]12 ZINC000602760977 469057650 /nfs/dbraw/zinc/05/76/50/469057650.db2.gz ZFSSTIRJYNKSKJ-HZPDHXFCSA-N -1 0 325.324 2.028 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000610845540 469087403 /nfs/dbraw/zinc/08/74/03/469087403.db2.gz VKVVVZLHRVWOHH-AWEZNQCLSA-N -1 0 333.344 2.165 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000595972368 469102952 /nfs/dbraw/zinc/10/29/52/469102952.db2.gz AZXJZDOAGSKMJE-YPMHNXCESA-N -1 0 349.387 2.423 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000619507459 469628356 /nfs/dbraw/zinc/62/83/56/469628356.db2.gz YMAPHIIFROJVNM-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000619507172 469628421 /nfs/dbraw/zinc/62/84/21/469628421.db2.gz LDOHAGBQRUVRME-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM O=C([O-])[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000158436396 534517007 /nfs/dbraw/zinc/51/70/07/534517007.db2.gz BZUWJNXBFZYMMI-LBPRGKRZSA-N -1 0 332.316 2.084 20 5 EEBDRM Cc1cc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000738252071 578006217 /nfs/dbraw/zinc/00/62/17/578006217.db2.gz SEXWYUFPLMJMMY-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM NC(=O)c1ccc(CNc2ccc(CCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000738443903 578015538 /nfs/dbraw/zinc/01/55/38/578015538.db2.gz YILODRLCJUDAFC-UHFFFAOYSA-N -1 0 343.339 2.323 20 5 EEBDRM Cc1ccc(CCC(=O)NCCOC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000727051668 576392570 /nfs/dbraw/zinc/39/25/70/576392570.db2.gz HOAXREMVXYBNAS-UHFFFAOYSA-N -1 0 345.355 2.137 20 5 EEBDRM CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000773986497 577376652 /nfs/dbraw/zinc/37/66/52/577376652.db2.gz AMHKXMXWMKCNBF-GFCCVEGCSA-N -1 0 344.364 2.365 20 5 EEBDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000777363187 577477191 /nfs/dbraw/zinc/47/71/91/577477191.db2.gz YFPNAVRVXVHRKQ-QMMMGPOBSA-N -1 0 332.403 2.175 20 5 EEBDRM COC(=O)c1sccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768861049 577564454 /nfs/dbraw/zinc/56/44/54/577564454.db2.gz GODZGKVSLASMIV-UHFFFAOYSA-N -1 0 348.383 2.305 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCCO3)cs1 ZINC000768882869 577564973 /nfs/dbraw/zinc/56/49/73/577564973.db2.gz PNHSOWZUQQMZLG-UHFFFAOYSA-N -1 0 342.354 2.228 20 5 EEBDRM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccn1 ZINC000742300359 577870642 /nfs/dbraw/zinc/87/06/42/577870642.db2.gz ZRQQRRPXBQMKAF-ZDUSSCGKSA-N -1 0 336.373 2.060 20 5 EEBDRM Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000744001746 577892022 /nfs/dbraw/zinc/89/20/22/577892022.db2.gz JACGCYJMFASXHH-SNVBAGLBSA-N -1 0 338.341 2.105 20 5 EEBDRM O=C([O-])c1cc(C(=O)N(Cc2ccccn2)C2CC2)cc([N+](=O)[O-])c1 ZINC000738669450 578023367 /nfs/dbraw/zinc/02/33/67/578023367.db2.gz ONLVRWFAQDAVPF-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cnc(C3CC3)nc2)cc([N+](=O)[O-])c1 ZINC000738673056 578023460 /nfs/dbraw/zinc/02/34/60/578023460.db2.gz OYUMLYWPEYYRKW-UHFFFAOYSA-N -1 0 328.284 2.213 20 5 EEBDRM O=C([O-])c1ccnc(NCc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000738693009 578023984 /nfs/dbraw/zinc/02/39/84/578023984.db2.gz NFUFICGBZNZFPW-UHFFFAOYSA-N -1 0 331.284 2.071 20 5 EEBDRM Cc1nn(CN(CCC(=O)[O-])Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000738927494 578031395 /nfs/dbraw/zinc/03/13/95/578031395.db2.gz OQKUMBFTKWSRCM-UHFFFAOYSA-N -1 0 332.360 2.343 20 5 EEBDRM O=C([O-])N1CCC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000739386168 578051576 /nfs/dbraw/zinc/05/15/76/578051576.db2.gz BNPRYSHTRDQQFR-VIFPVBQESA-N -1 0 327.724 2.120 20 5 EEBDRM O=C([O-])c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1O ZINC000739478970 578054926 /nfs/dbraw/zinc/05/49/26/578054926.db2.gz CVRBDSBQYUHDLK-UHFFFAOYSA-N -1 0 347.239 2.159 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NCCCC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657118 578216833 /nfs/dbraw/zinc/21/68/33/578216833.db2.gz OSIKFZAWSDWHJZ-SNVBAGLBSA-N -1 0 335.360 2.400 20 5 EEBDRM COC(=O)/C=C\c1ccc(N[C@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000737597014 578266212 /nfs/dbraw/zinc/26/62/12/578266212.db2.gz INLHYQSXZALKFA-HWPRWLFBSA-N -1 0 349.343 2.335 20 5 EEBDRM CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1C(=O)[O-] ZINC000737947102 578274050 /nfs/dbraw/zinc/27/40/50/578274050.db2.gz VRFVUEBTWRXTTF-UHFFFAOYSA-N -1 0 344.279 2.298 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045622465 599912943 /nfs/dbraw/zinc/91/29/43/599912943.db2.gz ANKHLGISLUBMOP-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM C[C@@H](CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000237470805 599924488 /nfs/dbraw/zinc/92/44/88/599924488.db2.gz GKTRYIDZJFUGEJ-JTQLQIEISA-N -1 0 347.371 2.494 20 5 EEBDRM O=C([O-])c1cc(Cl)cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000178257424 600619382 /nfs/dbraw/zinc/61/93/82/600619382.db2.gz UHVYMCHGZUYUDK-UHFFFAOYSA-N -1 0 338.707 2.172 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H]1CCC[C@H](O)C1 ZINC000833307453 600815900 /nfs/dbraw/zinc/81/59/00/600815900.db2.gz NLEJZYXWVMVCKY-SCZZXKLOSA-N -1 0 339.304 2.164 20 5 EEBDRM O=C([O-])[C@@]1(F)CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000833175946 601380278 /nfs/dbraw/zinc/38/02/78/601380278.db2.gz NNDQNQFTINGOPJ-LLVKDONJSA-N -1 0 333.113 2.360 20 5 EEBDRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000826710927 601505434 /nfs/dbraw/zinc/50/54/34/601505434.db2.gz SOWQSOYMMOZADB-ZDUSSCGKSA-N -1 0 332.316 2.374 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1F ZINC000833124527 601746898 /nfs/dbraw/zinc/74/68/98/601746898.db2.gz HVOUUBYNDHHXSX-ZDUSSCGKSA-N -1 0 336.250 2.429 20 5 EEBDRM COC(=O)c1cc(N[C@H]2CCCN(C(=O)[O-])C2)cc(C)c1[N+](=O)[O-] ZINC000831315925 602315921 /nfs/dbraw/zinc/31/59/21/602315921.db2.gz MNLRZDOZBLKCKK-JTQLQIEISA-N -1 0 337.332 2.244 20 5 EEBDRM Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896975 602320690 /nfs/dbraw/zinc/32/06/90/602320690.db2.gz IRTUPYKJDPGWNV-RLCGTCKNSA-N -1 0 333.344 2.023 20 5 EEBDRM O=C([O-])CSc1ccc(OC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000833264093 602348296 /nfs/dbraw/zinc/34/82/96/602348296.db2.gz FCSVEERMQRGISX-UHFFFAOYSA-N -1 0 334.309 2.386 20 5 EEBDRM CS[C@H](CO)[C@H](C)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832742008 604800883 /nfs/dbraw/zinc/80/08/83/604800883.db2.gz FVTDQMZWIRZLON-UPONEAKYSA-N -1 0 334.781 2.471 20 5 EEBDRM COc1ccc(COC(=O)c2cnccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832357298 604870103 /nfs/dbraw/zinc/87/01/03/604870103.db2.gz MRMVALLAYPSEMO-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C(=O)[O-])CCC1 ZINC000833540708 604886522 /nfs/dbraw/zinc/88/65/22/604886522.db2.gz VJVIATCGYFGSLB-QMMMGPOBSA-N -1 0 342.735 2.139 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000833496481 605294281 /nfs/dbraw/zinc/29/42/81/605294281.db2.gz GAWKELKUWIGYSG-UHFFFAOYSA-N -1 0 330.287 2.398 20 5 EEBDRM C/C(=C\C(=O)NCCSCCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833381329 605345756 /nfs/dbraw/zinc/34/57/56/605345756.db2.gz FTKAFSSWGNJAGC-ZHACJKMWSA-N -1 0 338.385 2.322 20 5 EEBDRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120082018 674586614 /nfs/dbraw/zinc/58/66/14/674586614.db2.gz XVRRDDFYUSMJLI-UHFFFAOYSA-N -1 0 341.370 2.416 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cs1 ZINC000120154010 674688331 /nfs/dbraw/zinc/68/83/31/674688331.db2.gz BNXROHJAVSHRRR-UHFFFAOYSA-N -1 0 326.359 2.125 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C\c2ccccc2)ccc1[N+](=O)[O-] ZINC000255275199 676453237 /nfs/dbraw/zinc/45/32/37/676453237.db2.gz GLAPWJVFXIVMLL-YFHOEESVSA-N -1 0 346.364 2.422 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]1C1CC1 ZINC000176074539 676849268 /nfs/dbraw/zinc/84/92/68/676849268.db2.gz UJVDAKOHYAHVOP-UWVGGRQHSA-N -1 0 344.776 2.099 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2F)cc([N+](=O)[O-])c1 ZINC000121750569 676911063 /nfs/dbraw/zinc/91/10/63/676911063.db2.gz FEIIVIUKLGPLDX-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM Cc1cscc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120550618 1198206900 /nfs/dbraw/zinc/20/69/00/1198206900.db2.gz CZUYIJJNXIHTMG-UHFFFAOYSA-N -1 0 344.345 2.223 20 5 EEBDRM O=C(N[C@H](CO)CC(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778422856 1208251509 /nfs/dbraw/zinc/25/15/09/1208251509.db2.gz OCDGYMXPSREECG-QMMMGPOBSA-N -1 0 342.220 2.116 20 5 EEBDRM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000193373780 1210814808 /nfs/dbraw/zinc/81/48/08/1210814808.db2.gz NMWKOKDMYFFRBX-UHFFFAOYSA-N -1 0 336.354 2.120 20 5 EEBDRM COc1cc(OS(=O)(=O)c2c[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000795222673 1212125983 /nfs/dbraw/zinc/12/59/83/1212125983.db2.gz LVVYHFFUTGTWET-UHFFFAOYSA-N -1 0 341.345 2.218 20 5 EEBDRM C[C@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885548 1277380574 /nfs/dbraw/zinc/38/05/74/1277380574.db2.gz HRUXNNCYBWRJLL-UWVGGRQHSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850887992 1277381611 /nfs/dbraw/zinc/38/16/11/1277381611.db2.gz FKVSNYWKSUKVCK-VHSXEESVSA-N -1 0 344.364 2.365 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)nn1C ZINC000857225404 1293764252 /nfs/dbraw/zinc/76/42/52/1293764252.db2.gz LVWGUZJFFSYFTQ-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000857250782 1293772399 /nfs/dbraw/zinc/77/23/99/1293772399.db2.gz LYUQOOCFCBEWRP-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM CC(=O)c1cc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)ccn1 ZINC001213596143 1296101245 /nfs/dbraw/zinc/10/12/45/1296101245.db2.gz NYYAOHBENSZIKE-UHFFFAOYSA-N -1 0 327.256 2.010 20 5 EEBDRM Cc1ccc(Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)c([N+](=O)[O-])c1 ZINC001214174365 1296333508 /nfs/dbraw/zinc/33/35/08/1296333508.db2.gz RKTMQBAZHWSEIY-UHFFFAOYSA-N -1 0 333.325 2.079 20 5 EEBDRM CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])CC1=O ZINC001225619721 1301096797 /nfs/dbraw/zinc/09/67/97/1301096797.db2.gz HWVITTJSTDJFNZ-VIFPVBQESA-N -1 0 338.316 2.215 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H](C)CCC(C)C)c1[N+](=O)[O-] ZINC001226020637 1301236032 /nfs/dbraw/zinc/23/60/32/1301236032.db2.gz KCSDBUPIAZAAFL-VIFPVBQESA-N -1 0 327.337 2.471 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(OC2CCC(C)CC2)c1[N+](=O)[O-] ZINC001226020921 1301236002 /nfs/dbraw/zinc/23/60/02/1301236002.db2.gz MVJJOXXGKASWLA-UHFFFAOYSA-N -1 0 325.321 2.225 20 5 EEBDRM CC[C@@H]1CCCC[C@H]1Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226652409 1301494972 /nfs/dbraw/zinc/49/49/72/1301494972.db2.gz LEHOLKQAJPABCT-RKDXNWHRSA-N -1 0 325.321 2.225 20 5 EEBDRM CCCCOC(=O)[C@@H](C)Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228810461 1302460237 /nfs/dbraw/zinc/46/02/37/1302460237.db2.gz KNGGDIDOSLMLKP-SECBINFHSA-N -1 0 341.316 2.198 20 5 EEBDRM CCCCOC(=O)[C@H](C)Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228810462 1302460624 /nfs/dbraw/zinc/46/06/24/1302460624.db2.gz KNGGDIDOSLMLKP-VIFPVBQESA-N -1 0 341.316 2.198 20 5 EEBDRM C=CC(=O)OC[C@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228859485 1302488568 /nfs/dbraw/zinc/48/85/68/1302488568.db2.gz KFBVIFWZEMOPED-LURJTMIESA-N -1 0 336.222 2.211 20 5 EEBDRM CC(C)CCOC(=O)[C@H](C)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231076947 1303614200 /nfs/dbraw/zinc/61/42/00/1303614200.db2.gz QEQQINHVUGQLFM-ZETCQYMHSA-N -1 0 333.728 2.100 20 5 EEBDRM COc1cncc(-c2noc(C([O-])=Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC001248979101 1310979416 /nfs/dbraw/zinc/97/94/16/1310979416.db2.gz NGXLLSCIXGBNBV-UHFFFAOYSA-N -1 0 340.295 2.474 20 5 EEBDRM O=C([N-]OCCC1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839564361 1315215372 /nfs/dbraw/zinc/21/53/72/1315215372.db2.gz TUGWRYAKJLENPS-UHFFFAOYSA-N -1 0 327.724 2.035 20 5 EEBDRM CC1=C(C(=O)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000842403426 1315698249 /nfs/dbraw/zinc/69/82/49/1315698249.db2.gz BTMIRPSKGUMMAT-UHFFFAOYSA-N -1 0 338.385 2.350 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)CCC2CCC2)cccc1[N+](=O)[O-] ZINC000842404412 1315698594 /nfs/dbraw/zinc/69/85/94/1315698594.db2.gz RUDIOPDDIRWKOV-UHFFFAOYSA-N -1 0 340.401 2.430 20 5 EEBDRM O=C([O-])CCC(=O)CNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001160875620 1320301005 /nfs/dbraw/zinc/30/10/05/1320301005.db2.gz AKLCUKPPBORLGO-UHFFFAOYSA-N -1 0 338.707 2.037 20 5 EEBDRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cccc([N+](=O)[O-])c2)cc1 ZINC001204457441 1322149172 /nfs/dbraw/zinc/14/91/72/1322149172.db2.gz XWGJGHXHKFDPPR-UHFFFAOYSA-N -1 0 335.341 2.163 20 5 EEBDRM O=C([O-])[C@@H]1[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1(F)F ZINC001602206754 1350465740 /nfs/dbraw/zinc/46/57/40/1350465740.db2.gz UFBIOWJZUGZNCP-KWQFWETISA-N -1 0 327.287 2.246 20 5 EEBDRM O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1CCOC1 ZINC001608543660 1351713061 /nfs/dbraw/zinc/71/30/61/1351713061.db2.gz OCYPBDBGZQTDSM-SCZZXKLOSA-N -1 0 346.286 2.345 20 5 EEBDRM CCCC[C@@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001605242620 1351114265 /nfs/dbraw/zinc/11/42/65/1351114265.db2.gz SHDOYRAEANQZTM-SNVBAGLBSA-N -1 0 328.296 2.116 20 5 EEBDRM CCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001605301813 1351130393 /nfs/dbraw/zinc/13/03/93/1351130393.db2.gz DMWGUAVRIOEZAU-LLVKDONJSA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1cc(OS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607703360 1351542941 /nfs/dbraw/zinc/54/29/41/1351542941.db2.gz VFAQAMFUTHDIBN-DGCLKSJQSA-N -1 0 343.357 2.255 20 5 EEBDRM O=C([O-])c1c(Cl)c(NCC[C@@]2(O)CCCOC2)ccc1[N+](=O)[O-] ZINC001608830410 1351773506 /nfs/dbraw/zinc/77/35/06/1351773506.db2.gz NGGAZWOVQNSBDM-AWEZNQCLSA-N -1 0 344.751 2.290 20 5 EEBDRM O=C([O-])c1cc(OCc2cnnn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC001608857438 1351779841 /nfs/dbraw/zinc/77/98/41/1351779841.db2.gz IPSNUJGDCABKLS-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1ccc(OC[C@H]2CCC[C@@]3(CCOC3)O2)c([N+](=O)[O-])c1 ZINC001608906102 1351791018 /nfs/dbraw/zinc/79/10/18/1351791018.db2.gz DFRHIBVUVFTGDV-WBMJQRKESA-N -1 0 337.328 2.400 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001608906754 1351791355 /nfs/dbraw/zinc/79/13/55/1351791355.db2.gz RVUOQOBBNKHPPV-UHFFFAOYSA-N -1 0 342.307 2.261 20 5 EEBDRM O=C([O-])c1cnc(CNc2c3ccccc3ncc2[N+](=O)[O-])s1 ZINC001608972659 1351805588 /nfs/dbraw/zinc/80/55/88/1351805588.db2.gz IGXQFACENOJZCK-UHFFFAOYSA-N -1 0 330.325 2.332 20 5 EEBDRM O=C(NCc1ccc(-c2nnco2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001322555941 1333281898 /nfs/dbraw/zinc/28/18/98/1333281898.db2.gz SLJMFUDSQBJGAI-UHFFFAOYSA-N -1 0 340.295 2.280 20 5 EEBDRM CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC001323577864 1333491370 /nfs/dbraw/zinc/49/13/70/1333491370.db2.gz NLFMQRDKCPEHFS-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC2CCC1CC2 ZINC001326314898 1334066873 /nfs/dbraw/zinc/06/68/73/1334066873.db2.gz NFRJVPACPGHGJK-MGULZYLOSA-N -1 0 338.385 2.226 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001609704855 1352063489 /nfs/dbraw/zinc/06/34/89/1352063489.db2.gz BEFGCEIXDSYDHE-UHFFFAOYSA-N -1 0 346.343 2.106 20 5 EEBDRM C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C(=O)[O-])C1 ZINC001609861453 1352105103 /nfs/dbraw/zinc/10/51/03/1352105103.db2.gz SFKSXXHLLTUPKV-OQPBUACISA-N -1 0 342.298 2.127 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001609905182 1352116271 /nfs/dbraw/zinc/11/62/71/1352116271.db2.gz OZELVQBDCXZKOS-VIFPVBQESA-N -1 0 343.767 2.372 20 5 EEBDRM CCC(CC)(CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C(=O)[O-] ZINC001609915336 1352119139 /nfs/dbraw/zinc/11/91/39/1352119139.db2.gz ZUFVSDDZWIVWFV-UHFFFAOYSA-N -1 0 326.353 2.062 20 5 EEBDRM CC(C)(C)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001347698074 1337519205 /nfs/dbraw/zinc/51/92/05/1337519205.db2.gz BYIVWJSRXUISDQ-UHFFFAOYSA-N -1 0 328.390 2.117 20 5 EEBDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1ccc(N)cc1[N+](=O)[O-] ZINC001610123346 1352166837 /nfs/dbraw/zinc/16/68/37/1352166837.db2.gz AAHVCUPJTVVNTN-UHFFFAOYSA-N -1 0 331.328 2.277 20 5 EEBDRM COC(=O)[C@]1(C)CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001610158919 1352175711 /nfs/dbraw/zinc/17/57/11/1352175711.db2.gz NYGISYYJJDNPGE-MRXNPFEDSA-N -1 0 336.344 2.001 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001610478490 1352229560 /nfs/dbraw/zinc/22/95/60/1352229560.db2.gz NWUSMPPNMRRQGQ-SNVBAGLBSA-N -1 0 339.373 2.185 20 5 EEBDRM Cc1cccc(OC[C@H](O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001610524704 1352238561 /nfs/dbraw/zinc/23/85/61/1352238561.db2.gz NRXPNYPSLQNCFU-ZDUSSCGKSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1cnc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001610539698 1352241792 /nfs/dbraw/zinc/24/17/92/1352241792.db2.gz JDJGZJJWEIDNJN-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001610559175 1352244828 /nfs/dbraw/zinc/24/48/28/1352244828.db2.gz FMMBJHJSHAIILB-MRVPVSSYSA-N -1 0 337.288 2.085 20 5 EEBDRM O=C([O-])CC1(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCCC1 ZINC001610756566 1352269370 /nfs/dbraw/zinc/26/93/70/1352269370.db2.gz AVWKPEKTVGBGME-UHFFFAOYSA-N -1 0 340.307 2.016 20 5 EEBDRM O=C([O-])c1ccc(Br)cc1Cn1cc([N+](=O)[O-])cn1 ZINC001610819305 1352280337 /nfs/dbraw/zinc/28/03/37/1352280337.db2.gz BHOQWVVCCITIKN-UHFFFAOYSA-N -1 0 326.106 2.300 20 5 EEBDRM Cc1c(CC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001600008792 1349954706 /nfs/dbraw/zinc/95/47/06/1349954706.db2.gz BUZYNXXMRRKMRA-ZENOOKHLSA-N -1 0 332.356 2.157 20 5 EEBDRM Cc1c(NC(=O)N[C@@H](CO)C(C)(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600038652 1349959788 /nfs/dbraw/zinc/95/97/88/1349959788.db2.gz CWQGZIQZVPVRIL-LBPRGKRZSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2CCO[C@H](C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041195 1349960418 /nfs/dbraw/zinc/96/04/18/1349960418.db2.gz QGOQDMXZOYZXNU-LDYMZIIASA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1c(NC(=O)c2ccc(Cl)nn2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600047634 1349961867 /nfs/dbraw/zinc/96/18/67/1349961867.db2.gz UOAJMPPPIJPHAM-UHFFFAOYSA-N -1 0 336.691 2.297 20 5 EEBDRM Cc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600097288 1349970563 /nfs/dbraw/zinc/97/05/63/1349970563.db2.gz CBEKJMZQZREFQE-CQSZACIVSA-N -1 0 346.314 2.468 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC001600164708 1349984011 /nfs/dbraw/zinc/98/40/11/1349984011.db2.gz OMXZHTNSHFFQJH-UHFFFAOYSA-N -1 0 345.311 2.322 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)c2cc(C(=O)[O-])ccn2)cc1[N+](=O)[O-] ZINC001600374185 1350033265 /nfs/dbraw/zinc/03/32/65/1350033265.db2.gz SLUWWJXUIOZEIV-JTQLQIEISA-N -1 0 329.312 2.487 20 5 EEBDRM Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cn1 ZINC001600400303 1350040889 /nfs/dbraw/zinc/04/08/89/1350040889.db2.gz GHJMQEZEPJUTPY-UHFFFAOYSA-N -1 0 329.312 2.486 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)c1C ZINC001600486837 1350063157 /nfs/dbraw/zinc/06/31/57/1350063157.db2.gz HIJMSYLQUYHGEC-CQSZACIVSA-N -1 0 329.312 2.162 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001600487670 1350063168 /nfs/dbraw/zinc/06/31/68/1350063168.db2.gz KGVOEUDGUBCCTJ-NEPJUHHUSA-N -1 0 336.344 2.042 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001600487008 1350063254 /nfs/dbraw/zinc/06/32/54/1350063254.db2.gz LILQGXAVPADXLQ-UONOGXRCSA-N -1 0 343.339 2.308 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC001600552193 1350080453 /nfs/dbraw/zinc/08/04/53/1350080453.db2.gz QTMFBTNKWJOMQS-VXGBXAGGSA-N -1 0 349.387 2.415 20 5 EEBDRM Cc1ccccc1OC[C@@H](O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600585726 1350090516 /nfs/dbraw/zinc/09/05/16/1350090516.db2.gz DWURPRURNWOZQD-CYBMUJFWSA-N -1 0 347.323 2.420 20 5 EEBDRM Nc1c(Cl)cc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001601211788 1350232233 /nfs/dbraw/zinc/23/22/33/1350232233.db2.gz WJHYGCNTJTYDOJ-SECBINFHSA-N -1 0 341.751 2.061 20 5 EEBDRM Nc1ccc(C(=O)OCCc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001601214672 1350233003 /nfs/dbraw/zinc/23/30/03/1350233003.db2.gz IJPOWFNABABHBF-UHFFFAOYSA-N -1 0 330.296 2.275 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001601217095 1350233947 /nfs/dbraw/zinc/23/39/47/1350233947.db2.gz DAJJATSRDJSXHV-UHFFFAOYSA-N -1 0 327.296 2.031 20 5 EEBDRM O=C([O-])[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001601344675 1350262572 /nfs/dbraw/zinc/26/25/72/1350262572.db2.gz RTLBUFYAQCXJBY-OAHLLOKOSA-N -1 0 331.280 2.343 20 5 EEBDRM O=C([O-])C1(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC001601429547 1350282368 /nfs/dbraw/zinc/28/23/68/1350282368.db2.gz GBPYVTOKJCCUFE-UHFFFAOYSA-N -1 0 332.234 2.351 20 5 EEBDRM O=C([O-])C1(CCCCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCC1 ZINC001601496926 1350296042 /nfs/dbraw/zinc/29/60/42/1350296042.db2.gz KQRPLZHRTJECKZ-UHFFFAOYSA-N -1 0 344.755 2.126 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001601570094 1350309157 /nfs/dbraw/zinc/30/91/57/1350309157.db2.gz VAZLJRCVQJZFOU-SCZZXKLOSA-N -1 0 344.270 2.179 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C2 ZINC001601573993 1350310469 /nfs/dbraw/zinc/31/04/69/1350310469.db2.gz DURLTKVVOBVIFX-BFVZDQMLSA-N -1 0 340.282 2.056 20 5 EEBDRM O=C([O-])c1cc2n(n1)CCC[C@H]2NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001601620091 1350321522 /nfs/dbraw/zinc/32/15/22/1350321522.db2.gz JTKWDPOGTQCUBF-LLVKDONJSA-N -1 0 345.315 2.146 20 5 EEBDRM O=C([O-])C1(C2(O)CCN(c3ccsc3[N+](=O)[O-])CC2)CCC1 ZINC001601707374 1350344599 /nfs/dbraw/zinc/34/45/99/1350344599.db2.gz NXFYTFCQKGOVSH-UHFFFAOYSA-N -1 0 326.374 2.243 20 5 EEBDRM O=C([O-])[C@@]1(c2ccccc2)CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC001601727585 1350349198 /nfs/dbraw/zinc/34/91/98/1350349198.db2.gz AFFGINDMYWZXKN-INIZCTEOSA-N -1 0 331.303 2.362 20 5 EEBDRM O=C([O-])[C@H]1CCCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001601810821 1350369721 /nfs/dbraw/zinc/36/97/21/1350369721.db2.gz GCUOUKLTEJUZJU-CYBMUJFWSA-N -1 0 336.344 2.220 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@@H](CCO)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001601881494 1350389479 /nfs/dbraw/zinc/38/94/79/1350389479.db2.gz BEMLJIKSFWKGPR-FWEMWIAWSA-N -1 0 334.250 2.418 20 5 EEBDRM O=C([O-])/C=C/c1ccc(N[C@@H]2CCOC23CCOCC3)c([N+](=O)[O-])c1 ZINC001601883926 1350390349 /nfs/dbraw/zinc/39/03/49/1350390349.db2.gz VHMQNSSCOACBJC-TXTHVTMNSA-N -1 0 348.355 2.443 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCOC1 ZINC001602030735 1350421937 /nfs/dbraw/zinc/42/19/37/1350421937.db2.gz CILSTAAGTUYXRR-SNVBAGLBSA-N -1 0 341.341 2.107 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cn[nH]c1 ZINC001602031522 1350421954 /nfs/dbraw/zinc/42/19/54/1350421954.db2.gz OAKDFKKAECBUBO-UHFFFAOYSA-N -1 0 336.329 2.137 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnccn1 ZINC001602031245 1350422186 /nfs/dbraw/zinc/42/21/86/1350422186.db2.gz KFKGZEPRYXWAQG-UHFFFAOYSA-N -1 0 348.340 2.204 20 5 EEBDRM O=C([O-])c1c(Cl)c(N[C@H](CO)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC001602232525 1350471628 /nfs/dbraw/zinc/47/16/28/1350471628.db2.gz ISTNWLFIBVUEML-PSASIEDQSA-N -1 0 344.751 2.146 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cc3ccccn3n2)cc([N+](=O)[O-])c1 ZINC001602247768 1350476097 /nfs/dbraw/zinc/47/60/97/1350476097.db2.gz DEDAYMHFNAMGJM-UHFFFAOYSA-N -1 0 326.268 2.193 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC001602323418 1350493904 /nfs/dbraw/zinc/49/39/04/1350493904.db2.gz IPQMIXSWLUHYFM-UHFFFAOYSA-N -1 0 346.324 2.161 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)[nH]1 ZINC001602327504 1350495381 /nfs/dbraw/zinc/49/53/81/1350495381.db2.gz ZXMQSNFEDNRBAC-UHFFFAOYSA-N -1 0 326.211 2.256 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC001602479854 1350528842 /nfs/dbraw/zinc/52/88/42/1350528842.db2.gz VLJJJSZBCJWUAP-GFCCVEGCSA-N -1 0 328.328 2.467 20 5 EEBDRM O=C([O-])c1nn(Cc2ncc(-c3ccccc3F)o2)cc1[N+](=O)[O-] ZINC001602586198 1350551696 /nfs/dbraw/zinc/55/16/96/1350551696.db2.gz MAWIEBYOZDTVQE-UHFFFAOYSA-N -1 0 332.247 2.332 20 5 EEBDRM O=C([O-])c1occc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001602618750 1350558814 /nfs/dbraw/zinc/55/88/14/1350558814.db2.gz KYCGUOUTRBYGRJ-UHFFFAOYSA-N -1 0 349.251 2.014 20 5 EEBDRM CC[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)C(=O)[O-] ZINC001605120563 1351081119 /nfs/dbraw/zinc/08/11/19/1351081119.db2.gz RYUNRERZCAZVHJ-QMTHXVAHSA-N -1 0 347.327 2.437 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)n1 ZINC001605925235 1351255024 /nfs/dbraw/zinc/25/50/24/1351255024.db2.gz BXYPOPNKXCFDFJ-SNVBAGLBSA-N -1 0 346.343 2.327 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1CCSc1cccc(F)c1-c1nn[nH]n1 ZINC001606092909 1351268855 /nfs/dbraw/zinc/26/88/55/1351268855.db2.gz NWLJFGXJNFPECE-UHFFFAOYSA-N -1 0 349.351 2.211 20 5 EEBDRM COCCN(Cc1cccnc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606890302 1351370131 /nfs/dbraw/zinc/37/01/31/1351370131.db2.gz ALGKQKVWHFZPDW-UHFFFAOYSA-N -1 0 345.355 2.337 20 5 EEBDRM Cc1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001607782689 1351558156 /nfs/dbraw/zinc/55/81/56/1351558156.db2.gz LWSZDOJCTHCZSP-WCQYABFASA-N -1 0 335.360 2.155 20 5 EEBDRM Nc1c(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001608267249 1351659110 /nfs/dbraw/zinc/65/91/10/1351659110.db2.gz FZHTZTNXCSSHDR-CYBMUJFWSA-N -1 0 330.296 2.030 20 5 EEBDRM O=C([N-]OCCC1CC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000815792837 1368061863 /nfs/dbraw/zinc/06/18/63/1368061863.db2.gz VIAKRZNIAQPCFS-UHFFFAOYSA-N -1 0 327.724 2.035 20 5 EEBDRM CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001121878925 1371930906 /nfs/dbraw/zinc/93/09/06/1371930906.db2.gz QUTSKNHXAMTBGS-JQWIXIFHSA-N -1 0 329.360 2.425 20 5 EEBDRM Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC001592128681 1404000363 /nfs/dbraw/zinc/00/03/63/1404000363.db2.gz ROWUJXNREWGCGK-UHFFFAOYSA-N -1 0 338.327 2.013 20 5 EEBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CC ZINC000780368056 758176530 /nfs/dbraw/zinc/17/65/30/758176530.db2.gz KIWUHQDXWIGQFL-UHFFFAOYSA-N -1 0 332.403 2.176 20 5 EEBDRM O=C(CC1=CCCCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160410 775485056 /nfs/dbraw/zinc/48/50/56/775485056.db2.gz OQTFWZALRIVCJJ-UHFFFAOYSA-N -1 0 330.387 2.352 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCC(n2cnc(C(=O)[O-])c2N)CC1 ZINC000844218393 788907386 /nfs/dbraw/zinc/90/73/86/788907386.db2.gz NEABGTJQZPLAPS-UHFFFAOYSA-N -1 0 345.359 2.222 20 5 EEBDRM O=C([O-])c1cnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000844219505 788909992 /nfs/dbraw/zinc/90/99/92/788909992.db2.gz VHLCARXBRCYMII-UHFFFAOYSA-N -1 0 334.357 2.076 20 5 EEBDRM Cc1cc([C@@](C)(O)CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c(C)o1 ZINC000844209992 788927637 /nfs/dbraw/zinc/92/76/37/788927637.db2.gz NAKBIVLMILMQKO-HNNXBMFYSA-N -1 0 335.316 2.217 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCSCCCO)c([N+](=O)[O-])c1 ZINC000844209563 788928665 /nfs/dbraw/zinc/92/86/65/788928665.db2.gz WHVLICQXJUDOIE-HYXAFXHYSA-N -1 0 326.374 2.220 20 5 EEBDRM O=C([O-])c1ccnc(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c1[N+](=O)[O-] ZINC000844214361 788933645 /nfs/dbraw/zinc/93/36/45/788933645.db2.gz FYXJPJBKYIHNSJ-YWVKMMECSA-N -1 0 341.414 2.480 20 5 EEBDRM O=C([O-])c1cccc(S(=O)(=O)N2CCCCCCC2)c1[N+](=O)[O-] ZINC000844885813 789431602 /nfs/dbraw/zinc/43/16/02/789431602.db2.gz UEWRBTWQLOJFBD-UHFFFAOYSA-N -1 0 342.373 2.248 20 5 EEBDRM CCOC(=O)CC(C)(C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000845189334 789636234 /nfs/dbraw/zinc/63/62/34/789636234.db2.gz KHTITWDFFAMIKK-UHFFFAOYSA-N -1 0 325.317 2.323 20 5 EEBDRM CCC(CC)CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000151525244 792711712 /nfs/dbraw/zinc/71/17/12/792711712.db2.gz OMNFNIYCRQXFCM-UHFFFAOYSA-N -1 0 328.390 2.367 20 5 EEBDRM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000916107838 797502195 /nfs/dbraw/zinc/50/21/95/797502195.db2.gz NGBHJFVJMBLTLM-UHFFFAOYSA-N -1 0 338.301 2.007 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc(OC3COC3)nc2)cc1[N+](=O)[O-] ZINC001174503083 797784021 /nfs/dbraw/zinc/78/40/21/797784021.db2.gz CBPWBNPJYINODQ-UHFFFAOYSA-N -1 0 331.284 2.209 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc3c(=O)[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC001174504491 797784990 /nfs/dbraw/zinc/78/49/90/797784990.db2.gz AKTDFMUBPGEBJT-UHFFFAOYSA-N -1 0 342.267 2.391 20 5 EEBDRM CS(=O)(=O)c1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001176676172 798524042 /nfs/dbraw/zinc/52/40/42/798524042.db2.gz AVJAYCJYQVOXBK-UHFFFAOYSA-N -1 0 336.325 2.440 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2 ZINC000808125506 812444878 /nfs/dbraw/zinc/44/48/78/812444878.db2.gz BLKMAUVVWZQGEM-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001611402038 971031063 /nfs/dbraw/zinc/03/10/63/971031063.db2.gz XXJKKQGKJWSOKZ-SECBINFHSA-N -1 0 342.298 2.129 20 5 EEBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC001589595000 949134237 /nfs/dbraw/zinc/13/42/37/949134237.db2.gz TZORRJLXXQJZAH-KRWDZBQOSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([O-])c1ccccc1OS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001595260315 949654970 /nfs/dbraw/zinc/65/49/70/949654970.db2.gz NWUPTALENKOFKD-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM COc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000261904502 950051396 /nfs/dbraw/zinc/05/13/96/950051396.db2.gz PHKMSBSHWVAELK-LLVKDONJSA-N -1 0 336.344 2.320 20 5 EEBDRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CO1 ZINC001595003506 951167597 /nfs/dbraw/zinc/16/75/97/951167597.db2.gz GBKRMZVAUXALHX-RKDXNWHRSA-N -1 0 342.735 2.457 20 5 EEBDRM O=C([O-])COc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC001595117764 951950176 /nfs/dbraw/zinc/95/01/76/951950176.db2.gz GRUJUKHLNCIGMH-UHFFFAOYSA-N -1 0 342.307 2.261 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC001595196914 952302877 /nfs/dbraw/zinc/30/28/77/952302877.db2.gz LRXQQBXPWLBLQV-VIFPVBQESA-N -1 0 344.270 2.133 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ccn1 ZINC001595210401 952362018 /nfs/dbraw/zinc/36/20/18/952362018.db2.gz UEOROJBSHRYJIV-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM CC[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC001593607169 953437879 /nfs/dbraw/zinc/43/78/79/953437879.db2.gz MOCPJGLRMFCRHX-SCSAIBSYSA-N -1 0 337.151 2.012 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC001589282268 953532384 /nfs/dbraw/zinc/53/23/84/953532384.db2.gz OMJVIADPDDXBBP-MNOVXSKESA-N -1 0 347.371 2.034 20 5 EEBDRM C[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C(=O)[O-] ZINC001589332963 953959877 /nfs/dbraw/zinc/95/98/77/953959877.db2.gz IEGFBTSIFSAHDO-IINYFYTJSA-N -1 0 346.343 2.330 20 5 EEBDRM O=C([O-])[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001594831773 953973498 /nfs/dbraw/zinc/97/34/98/953973498.db2.gz JKAQRGIEIMWHEL-DZGCQCFKSA-N -1 0 332.356 2.412 20 5 EEBDRM O=C([O-])[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)Cc2ccccc21 ZINC001594954401 954972885 /nfs/dbraw/zinc/97/28/85/954972885.db2.gz AKGHQVGWNGEZMD-ZDUSSCGKSA-N -1 0 346.314 2.415 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC(C)(C(=O)[O-])CC1 ZINC001594574948 955908458 /nfs/dbraw/zinc/90/84/58/955908458.db2.gz KAINAAKLZUSBEJ-UHFFFAOYSA-N -1 0 336.270 2.038 20 5 EEBDRM Nc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001594665657 956573166 /nfs/dbraw/zinc/57/31/66/956573166.db2.gz KXFDKLAKODBEER-UHFFFAOYSA-N -1 0 330.300 2.197 20 5 EEBDRM Cc1cc(OCC(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001594327880 958186261 /nfs/dbraw/zinc/18/62/61/958186261.db2.gz BODKVEHPYOUPGZ-INIZCTEOSA-N -1 0 344.323 2.224 20 5 EEBDRM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cc1[N+](=O)[O-] ZINC001594078122 958234148 /nfs/dbraw/zinc/23/41/48/958234148.db2.gz NMZGCMPDOILGGG-HNNXBMFYSA-N -1 0 344.323 2.468 20 5 EEBDRM O=C([O-])c1cc(NC(=O)NCCc2ccccc2[N+](=O)[O-])ccn1 ZINC001605786487 972500696 /nfs/dbraw/zinc/50/06/96/972500696.db2.gz PIGBZOZDIBMLBS-UHFFFAOYSA-N -1 0 330.300 2.052 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001597320222 970463378 /nfs/dbraw/zinc/46/33/78/970463378.db2.gz YVSXYXIPLSHWHY-KGFZYKRKSA-N -1 0 329.740 2.060 20 5 EEBDRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001606445980 973893140 /nfs/dbraw/zinc/89/31/40/973893140.db2.gz XVDNMMJFLHUEFC-JTQLQIEISA-N -1 0 344.327 2.472 20 5 EEBDRM CC(C)OCCCNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001591722622 975663432 /nfs/dbraw/zinc/66/34/32/975663432.db2.gz DKTRRLDWROCSEV-UHFFFAOYSA-N -1 0 327.293 2.428 20 5 EEBDRM CC(C)n1cc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])nn1 ZINC001592126706 976947719 /nfs/dbraw/zinc/94/77/19/976947719.db2.gz BBNMIDDXFAVTOL-GQCTYLIASA-N -1 0 331.332 2.477 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001592574518 978472070 /nfs/dbraw/zinc/47/20/70/978472070.db2.gz XAKNSDLYLSZKGI-ZETCQYMHSA-N -1 0 345.149 2.150 20 5 EEBDRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])n1C)C(=O)[O-] ZINC001592606411 978555170 /nfs/dbraw/zinc/55/51/70/978555170.db2.gz ZFFMRLXJTPCJLF-GFCCVEGCSA-N -1 0 345.355 2.296 20 5 EEBDRM CCC(CC)(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001595065931 979330784 /nfs/dbraw/zinc/33/07/84/979330784.db2.gz ZNBJHORQOJWZJF-UHFFFAOYSA-N -1 0 344.314 2.423 20 5 EEBDRM CC[C@](COC)(NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(=O)[O-] ZINC001595192949 979881402 /nfs/dbraw/zinc/88/14/02/979881402.db2.gz BKIBSBHDFUPPSE-QGZVFWFLSA-N -1 0 346.339 2.358 20 5 EEBDRM C[C@@](NC(=O)Cc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593045255 980335773 /nfs/dbraw/zinc/33/57/73/980335773.db2.gz ZCQXEQJLYGLCSM-KRWDZBQOSA-N -1 0 346.314 2.393 20 5 EEBDRM CC[C@@H](C)C[C@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C(=O)[O-] ZINC001594950088 982657164 /nfs/dbraw/zinc/65/71/64/982657164.db2.gz SQKFJYDVSVIKBX-BDAKNGLRSA-N -1 0 326.353 2.061 20 5 EEBDRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC001594583409 986448303 /nfs/dbraw/zinc/44/83/03/986448303.db2.gz HHTGQJUGCIPAKL-OIBJUYFYSA-N -1 0 349.265 2.234 20 5 EEBDRM CC(C)(C(=O)NC[C@@H](CC1CC1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001589568160 987336424 /nfs/dbraw/zinc/33/64/24/987336424.db2.gz YXCBPOHZSIIGBV-GFCCVEGCSA-N -1 0 334.372 2.490 20 5 EEBDRM CC[C@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597335878 987472491 /nfs/dbraw/zinc/47/24/91/987472491.db2.gz GFDGSCVFZDRNCO-LBPRGKRZSA-N -1 0 347.331 2.299 20 5 EEBDRM CCc1cc(NC[C@H]2C[C@H]2C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001597482489 987978239 /nfs/dbraw/zinc/97/82/39/987978239.db2.gz IUPQRLHLTBZGHC-BXUZGUMPSA-N -1 0 342.355 2.169 20 5 EEBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC001599840569 988819865 /nfs/dbraw/zinc/81/98/65/988819865.db2.gz PBYDPLKQEWVBJS-MRVPVSSYSA-N -1 0 333.275 2.318 20 5 EEBDRM CN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598056051 990313100 /nfs/dbraw/zinc/31/31/00/990313100.db2.gz BFJPQYMABVOKBG-WRXNHJIOSA-N -1 0 342.739 2.157 20 5 EEBDRM CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598078080 990386136 /nfs/dbraw/zinc/38/61/36/990386136.db2.gz WZUJQIUAYNJKGI-OCAPTIKFSA-N -1 0 330.699 2.323 20 5 EEBDRM CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C1CCC1 ZINC001590879728 990794711 /nfs/dbraw/zinc/79/47/11/990794711.db2.gz KBHYHEYBILCWKV-UHFFFAOYSA-N -1 0 342.373 2.150 20 5 EEBDRM CN(C)c1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc1 ZINC001598325477 991343442 /nfs/dbraw/zinc/34/34/42/991343442.db2.gz LYXYBQIHDYAFDJ-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001598516866 992625828 /nfs/dbraw/zinc/62/58/28/992625828.db2.gz OGLDKPYQXWUYOH-UHFFFAOYSA-N -1 0 333.275 2.099 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@H](C(=O)[O-])[C@@H]3C)c2c1 ZINC001599637940 994316488 /nfs/dbraw/zinc/31/64/88/994316488.db2.gz NCHPSHXEVUDDRH-ONGXEEELSA-N -1 0 331.328 2.451 20 5 EEBDRM C[C@@H](OC(=O)c1occc1C(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001593601383 995756845 /nfs/dbraw/zinc/75/68/45/995756845.db2.gz NLGKOHDXAZEPLK-MRVPVSSYSA-N -1 0 348.267 2.070 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001593666898 996053645 /nfs/dbraw/zinc/05/36/45/996053645.db2.gz DIYNGXNMUAAWSW-KCJUWKMLSA-N -1 0 330.337 2.004 20 5 EEBDRM C[C@@H](c1ccccc1)[C@@H](O)CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593707737 996202977 /nfs/dbraw/zinc/20/29/77/996202977.db2.gz ZAWWQRQIDDJFJR-HZMBPMFUSA-N -1 0 331.328 2.265 20 5 EEBDRM COc1cc(CCO)cc(OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001599403780 997259194 /nfs/dbraw/zinc/25/91/94/997259194.db2.gz ANKHKXGFHAHCKM-UHFFFAOYSA-N -1 0 347.323 2.415 20 5 EEBDRM COCC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599210130 997484591 /nfs/dbraw/zinc/48/45/91/997484591.db2.gz CCORSXTVGCHQSR-MRVPVSSYSA-N -1 0 325.321 2.148 20 5 EEBDRM COc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001599440730 997924830 /nfs/dbraw/zinc/92/48/30/997924830.db2.gz IWXOURXNSJINTD-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC001599570519 998356634 /nfs/dbraw/zinc/35/66/34/998356634.db2.gz XBCIWFQDPRCMHJ-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM C[C@@H]1C[C@H](C)CN(C(=O)COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001594221165 998851367 /nfs/dbraw/zinc/85/13/67/998851367.db2.gz JYOLWPUHWQYLOS-PHIMTYICSA-N -1 0 336.344 2.176 20 5 EEBDRM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184673656 303997020 /nfs/dbraw/zinc/99/70/20/303997020.db2.gz MKKRZAOFYAXLRQ-UHFFFAOYSA-N -1 0 343.217 2.260 20 5 EEBDRM O=C([O-])CN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000178938084 304066105 /nfs/dbraw/zinc/06/61/05/304066105.db2.gz ZRAVLYHBJMGRFC-UHFFFAOYSA-N -1 0 334.353 2.426 20 5 EEBDRM C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000237566180 296045170 /nfs/dbraw/zinc/04/51/70/296045170.db2.gz IXAINLLLVAQKAU-SSDOTTSWSA-N -1 0 349.265 2.005 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236854711 242382819 /nfs/dbraw/zinc/38/28/19/242382819.db2.gz VEJSTGCKINXUPD-QMTHXVAHSA-N -1 0 346.343 2.010 20 5 EEBDRM COCC1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000452057640 243337393 /nfs/dbraw/zinc/33/73/93/243337393.db2.gz ZPXCLTRZQFCTDE-UHFFFAOYSA-N -1 0 346.380 2.219 20 5 EEBDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000455955482 244116700 /nfs/dbraw/zinc/11/67/00/244116700.db2.gz TXQHOKOVCLORGS-MRXNPFEDSA-N -1 0 347.327 2.051 20 5 EEBDRM O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000456256212 244200093 /nfs/dbraw/zinc/20/00/93/244200093.db2.gz BLPMFEUJJXOFEE-WFASDCNBSA-N -1 0 343.339 2.346 20 5 EEBDRM CC(C)(NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000262377806 244948892 /nfs/dbraw/zinc/94/88/92/244948892.db2.gz GLLZNEMQWIAENB-UHFFFAOYSA-N -1 0 349.112 2.089 20 5 EEBDRM COc1cc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000262972489 245276632 /nfs/dbraw/zinc/27/66/32/245276632.db2.gz KBXFKUBYNDZYTK-ZANVPECISA-N -1 0 336.344 2.237 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)/C=C\C(C)(C)C ZINC000492036525 246271419 /nfs/dbraw/zinc/27/14/19/246271419.db2.gz XFAKZFVVGRCAHN-HJWRWDBZSA-N -1 0 326.374 2.310 20 5 EEBDRM O=C([O-])CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000493811906 246817233 /nfs/dbraw/zinc/81/72/33/246817233.db2.gz BECFUXGFPMXYOZ-UTCJRWHESA-N -1 0 348.355 2.090 20 5 EEBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000266163684 248141249 /nfs/dbraw/zinc/14/12/49/248141249.db2.gz HWVVUPRORXCRJU-QMMMGPOBSA-N -1 0 344.780 2.021 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC3(CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000262179400 304221700 /nfs/dbraw/zinc/22/17/00/304221700.db2.gz RJKRBMXBKNDHHW-UHFFFAOYSA-N -1 0 348.355 2.326 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCCC(=O)[O-] ZINC000270476886 256139601 /nfs/dbraw/zinc/13/96/01/256139601.db2.gz KAMOMEPUBPXJQS-UHFFFAOYSA-N -1 0 344.389 2.081 20 5 EEBDRM CCc1nn(C)cc1[N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272824204 256241658 /nfs/dbraw/zinc/24/16/58/256241658.db2.gz JPVNDRBELSZXHY-UHFFFAOYSA-N -1 0 330.391 2.099 20 5 EEBDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000262824885 152323607 /nfs/dbraw/zinc/32/36/07/152323607.db2.gz BBAXMSXDQMKNGJ-SNVBAGLBSA-N -1 0 346.343 2.353 20 5 EEBDRM O=C(NCCCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000130337273 292371526 /nfs/dbraw/zinc/37/15/26/292371526.db2.gz JXSTZUUPFGOECU-UHFFFAOYSA-N -1 0 340.339 2.470 20 5 EEBDRM Cc1cccc(C)c1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130375135 292372882 /nfs/dbraw/zinc/37/28/82/292372882.db2.gz RIGHDUKMKIMLAV-UHFFFAOYSA-N -1 0 343.339 2.286 20 5 EEBDRM CN(CC(=O)[O-])c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000263436669 160464500 /nfs/dbraw/zinc/46/45/00/160464500.db2.gz VNOHRHFDBYMTPT-UHFFFAOYSA-N -1 0 329.181 2.165 20 5 EEBDRM CCC[C@H](C)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1=O ZINC000092545934 159222311 /nfs/dbraw/zinc/22/23/11/159222311.db2.gz QVNXNOWLZFZAOO-WDEREUQCSA-N -1 0 335.360 2.276 20 5 EEBDRM CO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121004049 159398919 /nfs/dbraw/zinc/39/89/19/159398919.db2.gz FBRQBTDAQOVTML-TZMCWYRMSA-N -1 0 342.417 2.448 20 5 EEBDRM Cc1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000343263099 161118013 /nfs/dbraw/zinc/11/80/13/161118013.db2.gz HHWPKHLWWBHLDE-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM COc1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)ccc1[N+](=O)[O-] ZINC000345679631 161322162 /nfs/dbraw/zinc/32/21/62/161322162.db2.gz DFDQRUMYMDVJMQ-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191789109 274052295 /nfs/dbraw/zinc/05/22/95/274052295.db2.gz GHKYHTRRADRCSU-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CC(C)(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCOCC1 ZINC000278559879 274373037 /nfs/dbraw/zinc/37/30/37/274373037.db2.gz AERJORUOSFQFMY-UHFFFAOYSA-N -1 0 343.767 2.003 20 5 EEBDRM O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000290811646 275242348 /nfs/dbraw/zinc/24/23/48/275242348.db2.gz FHZAVEXFRMIFRD-KDOFPFPSSA-N -1 0 342.351 2.196 20 5 EEBDRM CC(C)c1ccc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263523202 280597582 /nfs/dbraw/zinc/59/75/82/280597582.db2.gz IICHFAZJAJGEKZ-YGRLFVJLSA-N -1 0 336.344 2.032 20 5 EEBDRM Cc1cc(N2CCC[C@@H]2C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262193260 301336136 /nfs/dbraw/zinc/33/61/36/301336136.db2.gz YZRDFKCDMPGZRE-CYBMUJFWSA-N -1 0 328.328 2.414 20 5 EEBDRM Cc1cc(S(=O)(=O)N[C@H](C)CCCC(=O)[O-])cc([N+](=O)[O-])c1C ZINC000321698130 311596987 /nfs/dbraw/zinc/59/69/87/311596987.db2.gz NCXHBENZLAFVMJ-SNVBAGLBSA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC000326096594 311603133 /nfs/dbraw/zinc/60/31/33/311603133.db2.gz UPBZVRGLSPZWNX-FZMZJTMJSA-N -1 0 335.360 2.032 20 5 EEBDRM CC(C)n1ncc2c1C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC2 ZINC000332646051 312039621 /nfs/dbraw/zinc/03/96/21/312039621.db2.gz MJVULUPFANFYKH-CYBMUJFWSA-N -1 0 344.371 2.365 20 5 EEBDRM NC(=O)Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC000350650533 312336297 /nfs/dbraw/zinc/33/62/97/312336297.db2.gz OQQMQBDBCAJJKA-UHFFFAOYSA-N -1 0 340.295 2.045 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cc(C)ccc2F)c([N+](=O)[O-])n1 ZINC000435730383 314921013 /nfs/dbraw/zinc/92/10/13/314921013.db2.gz XWYQREDLNJWPQZ-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM O=C(NCc1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436875142 315008422 /nfs/dbraw/zinc/00/84/22/315008422.db2.gz WSOPFIJZCPDVKT-UHFFFAOYSA-N -1 0 344.323 2.392 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)C ZINC000436965637 315017525 /nfs/dbraw/zinc/01/75/25/315017525.db2.gz LDUVVPLQHWDQIO-ZDUSSCGKSA-N -1 0 338.360 2.397 20 5 EEBDRM COC(=O)Nc1cccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000495631349 316029364 /nfs/dbraw/zinc/02/93/64/316029364.db2.gz ODCURBYCRCOKBN-UHFFFAOYSA-N -1 0 345.311 2.409 20 5 EEBDRM CNC(=O)Oc1cccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000495634819 316030951 /nfs/dbraw/zinc/03/09/51/316030951.db2.gz CYBBWURGBUHVAI-UHFFFAOYSA-N -1 0 331.284 2.271 20 5 EEBDRM C[C@@H]1C[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)O1 ZINC000514732262 316417588 /nfs/dbraw/zinc/41/75/88/316417588.db2.gz VEDBIZFXCICJLR-IWSPIJDZSA-N -1 0 328.752 2.497 20 5 EEBDRM CCOC(=O)c1ccc(NCc2cc(OC)c([O-])c([N+](=O)[O-])c2)cn1 ZINC000542754918 318138654 /nfs/dbraw/zinc/13/86/54/318138654.db2.gz IEUVUQUWGUIZGW-UHFFFAOYSA-N -1 0 347.327 2.493 20 5 EEBDRM Cn1ncc2cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cnc21 ZINC000544663965 318194094 /nfs/dbraw/zinc/19/40/94/318194094.db2.gz UJEQYHQAWZOVBN-UHFFFAOYSA-N -1 0 347.718 2.488 20 5 EEBDRM CCC[C@H](C)C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000547936587 318335358 /nfs/dbraw/zinc/33/53/58/318335358.db2.gz NYMSOIQZYPHKLC-GXFFZTMASA-N -1 0 344.389 2.153 20 5 EEBDRM C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000548228884 318366630 /nfs/dbraw/zinc/36/66/30/318366630.db2.gz LFKXDPZMXZSKGL-NSHDSACASA-N -1 0 344.389 2.048 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000563517430 319017971 /nfs/dbraw/zinc/01/79/71/319017971.db2.gz NDXPNSKHHVJHRW-NSHDSACASA-N -1 0 347.371 2.178 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000563887883 319052746 /nfs/dbraw/zinc/05/27/46/319052746.db2.gz DGNSQYAVCIOUIE-NHYWBVRUSA-N -1 0 348.355 2.324 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)CC1CC1 ZINC000564217890 319073034 /nfs/dbraw/zinc/07/30/34/319073034.db2.gz HUUMSJIZIUGTQM-NSHDSACASA-N -1 0 343.339 2.374 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H](CC(=O)[O-])C1 ZINC000564715265 319104216 /nfs/dbraw/zinc/10/42/16/319104216.db2.gz FUWFXSHJRXQNJF-NSHDSACASA-N -1 0 336.344 2.381 20 5 EEBDRM O=C([O-])c1cnc(N2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000566621361 319306095 /nfs/dbraw/zinc/30/60/95/319306095.db2.gz DHYXAFKVOLQQJP-UHFFFAOYSA-N -1 0 342.355 2.405 20 5 EEBDRM COCCO[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000566976686 319337947 /nfs/dbraw/zinc/33/79/47/319337947.db2.gz STZSHUFXHNMZCB-GFCCVEGCSA-N -1 0 338.360 2.233 20 5 EEBDRM CN(C[C@H]1OCCc2ccccc21)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567355656 319373073 /nfs/dbraw/zinc/37/30/73/319373073.db2.gz JSLXAKKYHUBFQV-OAHLLOKOSA-N -1 0 343.339 2.438 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@]2(CO)C[C@H]2c2ccccc2)n1 ZINC000567475745 319383348 /nfs/dbraw/zinc/38/33/48/319383348.db2.gz VTDDXEWWDMGMNB-YVEFUNNKSA-N -1 0 343.339 2.266 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@H]2Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572606064 319861261 /nfs/dbraw/zinc/86/12/61/319861261.db2.gz CNKZHGSLRXCTBH-SNVBAGLBSA-N -1 0 346.347 2.350 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000572721956 319871808 /nfs/dbraw/zinc/87/18/08/319871808.db2.gz KODZKAIBRYANST-LDYMZIIASA-N -1 0 326.736 2.431 20 5 EEBDRM C[C@H]1OCC[C@]12CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C[C@@H](C)O2 ZINC000574280331 320012350 /nfs/dbraw/zinc/01/23/50/320012350.db2.gz FGAQRDCSEYUNLC-UVWXRNBGSA-N -1 0 336.344 2.066 20 5 EEBDRM C[C@H]1C[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000577376853 320252297 /nfs/dbraw/zinc/25/22/97/320252297.db2.gz OCISDRWJIDSWKM-IUCAKERBSA-N -1 0 328.752 2.499 20 5 EEBDRM CCCCN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000579588957 323888350 /nfs/dbraw/zinc/88/83/50/323888350.db2.gz PCKQTSFICUDZCT-UHFFFAOYSA-N -1 0 344.389 2.412 20 5 EEBDRM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000583932594 324762203 /nfs/dbraw/zinc/76/22/03/324762203.db2.gz XUWKWNIFBLOAEJ-SECBINFHSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C([N-]c1nnc(Cc2ccccc2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000611199311 449211982 /nfs/dbraw/zinc/21/19/82/449211982.db2.gz FDYAGQPEPQNJJC-UHFFFAOYSA-N -1 0 330.329 2.013 20 5 EEBDRM COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000327972304 465055602 /nfs/dbraw/zinc/05/56/02/465055602.db2.gz OBFVYEQXSJOJHB-ZDUSSCGKSA-N -1 0 344.323 2.029 20 5 EEBDRM Cc1noc([C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000339182547 465128334 /nfs/dbraw/zinc/12/83/34/465128334.db2.gz JODKXHCPTAHEGG-OAHLLOKOSA-N -1 0 348.359 2.249 20 5 EEBDRM Cc1nnc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000351626203 465258750 /nfs/dbraw/zinc/25/87/50/465258750.db2.gz BLKCMNCUJPBRQQ-UHFFFAOYSA-N -1 0 328.375 2.172 20 5 EEBDRM Cc1ccc2nc(CNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cn2c1 ZINC000356331836 465316308 /nfs/dbraw/zinc/31/63/08/465316308.db2.gz DGRSPEZBNYFKPK-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM Cc1ccnc(NCCc2ccc(OCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000578894530 468276114 /nfs/dbraw/zinc/27/61/14/468276114.db2.gz NNIQTCRKEWOOBC-UHFFFAOYSA-N -1 0 331.328 2.416 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cn1 ZINC000060436880 462550459 /nfs/dbraw/zinc/55/04/59/462550459.db2.gz IPJVAHQDFJFIRU-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C([O-])c1cccc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000062157986 462610054 /nfs/dbraw/zinc/61/00/54/462610054.db2.gz KHNPJXZIRJSOFW-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n(C)n1 ZINC000116602696 462766489 /nfs/dbraw/zinc/76/64/89/462766489.db2.gz LBHXCPGNKPIDAX-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM O=C(NCc1ccccc1-n1ccnc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000065723754 462821201 /nfs/dbraw/zinc/82/12/01/462821201.db2.gz AKSPDVYQFRWKOP-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC000066585427 462906615 /nfs/dbraw/zinc/90/66/15/462906615.db2.gz JJCAZMQNQAJZTL-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM Cn1nc(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc21 ZINC000185071479 463747263 /nfs/dbraw/zinc/74/72/63/463747263.db2.gz PVZOHQFLQHPDFU-UHFFFAOYSA-N -1 0 340.339 2.160 20 5 EEBDRM O=C(Nc1cnn(Cc2ccccn2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185731543 463869514 /nfs/dbraw/zinc/86/95/14/463869514.db2.gz HUDHXLVKXKFENX-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](OCc2ccccn2)C1 ZINC000269094869 463873306 /nfs/dbraw/zinc/87/33/06/463873306.db2.gz IPUZQMXVXZOFMH-ZDUSSCGKSA-N -1 0 343.339 2.127 20 5 EEBDRM COc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000262110540 463949636 /nfs/dbraw/zinc/94/96/36/463949636.db2.gz AUUXGKDOLLARRB-OSMZGAPFSA-N -1 0 348.355 2.461 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000262156291 463960215 /nfs/dbraw/zinc/96/02/15/463960215.db2.gz MMCBYEAPPBPDJU-UHFFFAOYSA-N -1 0 346.343 2.251 20 5 EEBDRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263301365 464080832 /nfs/dbraw/zinc/08/08/32/464080832.db2.gz GPUVHNISDDFYBZ-IUODEOHRSA-N -1 0 349.387 2.499 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000263417819 464101846 /nfs/dbraw/zinc/10/18/46/464101846.db2.gz IEEYKUSQRGLPAL-VIFPVBQESA-N -1 0 344.776 2.416 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000292643801 464295923 /nfs/dbraw/zinc/29/59/23/464295923.db2.gz ZTXGCTWMBJTTFR-GJZGRUSLSA-N -1 0 332.356 2.474 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(N(C)C)n1 ZINC000181098906 464444835 /nfs/dbraw/zinc/44/48/35/464444835.db2.gz HYCOAJYTVVUWSV-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM C[C@H](N1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1)C(F)(F)F ZINC000175426627 464548027 /nfs/dbraw/zinc/54/80/27/464548027.db2.gz KGUOQILLHCULJZ-VIFPVBQESA-N -1 0 347.293 2.009 20 5 EEBDRM COCCN(Cc1ccc(C)o1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182107618 464571932 /nfs/dbraw/zinc/57/19/32/464571932.db2.gz JXKMOBNAAHQFSM-UHFFFAOYSA-N -1 0 334.328 2.491 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000492415803 468415314 /nfs/dbraw/zinc/41/53/14/468415314.db2.gz LSOSQCSOHMGUKB-FUPJYCKTSA-N -1 0 348.330 2.460 20 5 EEBDRM CC(C)(C[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1)C(N)=O ZINC000295584103 464891943 /nfs/dbraw/zinc/89/19/43/464891943.db2.gz GMDZPWHRMBIGOO-LLVKDONJSA-N -1 0 349.387 2.054 20 5 EEBDRM O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184676030 465016411 /nfs/dbraw/zinc/01/64/11/465016411.db2.gz WEORYSRVMBHRBA-UHFFFAOYSA-N -1 0 343.274 2.273 20 5 EEBDRM Cc1noc([C@@H]2CCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)n1 ZINC000356464467 465399137 /nfs/dbraw/zinc/39/91/37/465399137.db2.gz QLKMPEMUSXUEDJ-SNVBAGLBSA-N -1 0 332.316 2.012 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](O)Cc1ccccc1 ZINC000356671983 465482761 /nfs/dbraw/zinc/48/27/61/465482761.db2.gz LKCFXTQLAXYLAO-CYBMUJFWSA-N -1 0 336.731 2.496 20 5 EEBDRM CC(C)(C(N)=O)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000353230735 465731493 /nfs/dbraw/zinc/73/14/93/465731493.db2.gz IDGDIRBUCQWGQI-UHFFFAOYSA-N -1 0 343.339 2.316 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc2[nH]c(=O)[nH]c21 ZINC000357337036 465958791 /nfs/dbraw/zinc/95/87/91/465958791.db2.gz GZSIFDHOSCZFJJ-UHFFFAOYSA-N -1 0 348.340 2.286 20 5 EEBDRM CNC(=O)c1ccc(C)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000340458486 466104597 /nfs/dbraw/zinc/10/45/97/466104597.db2.gz ARCRZUIMMCAGKL-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM Cc1sc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000331778612 466242458 /nfs/dbraw/zinc/24/24/58/466242458.db2.gz FSNSFHQGYKJQFK-QMMMGPOBSA-N -1 0 338.345 2.073 20 5 EEBDRM O=C([O-])Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000320644051 466612855 /nfs/dbraw/zinc/61/28/55/466612855.db2.gz IMVRATIVFIHMND-UHFFFAOYSA-N -1 0 336.325 2.023 20 5 EEBDRM Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000376829736 466937611 /nfs/dbraw/zinc/93/76/11/466937611.db2.gz VVESCJYXUMDLAO-CQSZACIVSA-N -1 0 330.344 2.320 20 5 EEBDRM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)oc1C ZINC000432193867 467223395 /nfs/dbraw/zinc/22/33/95/467223395.db2.gz XNOIAZJGBSEFCM-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C(=O)[O-] ZINC000431521970 467522920 /nfs/dbraw/zinc/52/29/20/467522920.db2.gz SPSCRRMOIBJSFM-VIFPVBQESA-N -1 0 342.326 2.271 20 5 EEBDRM Cc1ccc(-c2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])[nH]n2)o1 ZINC000447808944 467588794 /nfs/dbraw/zinc/58/87/94/467588794.db2.gz ZGBKIAPQURYGGV-UHFFFAOYSA-N -1 0 328.284 2.844 20 5 EEBDRM O=C(/C=C/C1CCCC1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000493564867 467938849 /nfs/dbraw/zinc/93/88/49/467938849.db2.gz XTTWTJJKYCYEKD-CMDGGOBGSA-N -1 0 342.348 2.285 20 5 EEBDRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000495504949 468087763 /nfs/dbraw/zinc/08/77/63/468087763.db2.gz YWRYDXKZPVQTNA-LLVKDONJSA-N -1 0 337.332 2.248 20 5 EEBDRM C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000517560567 468089225 /nfs/dbraw/zinc/08/92/25/468089225.db2.gz NFYBGPJZCLIISE-MDZLAQPJSA-N -1 0 335.360 2.408 20 5 EEBDRM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCOC1 ZINC000520587049 468260388 /nfs/dbraw/zinc/26/03/88/468260388.db2.gz RTPMSVLRVBINEY-RKDXNWHRSA-N -1 0 328.752 2.499 20 5 EEBDRM Cn1nc(C2CCOCC2)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600425991 468554260 /nfs/dbraw/zinc/55/42/60/468554260.db2.gz QZTBKHMHIZOAKQ-UHFFFAOYSA-N -1 0 346.343 2.180 20 5 EEBDRM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000592135447 468633471 /nfs/dbraw/zinc/63/34/71/468633471.db2.gz UGJSEANVKNAKNF-NXEZZACHSA-N -1 0 342.373 2.150 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000594675228 468649878 /nfs/dbraw/zinc/64/98/78/468649878.db2.gz QILHHAFEHOWXCB-UHFFFAOYSA-N -1 0 344.389 2.025 20 5 EEBDRM COc1cccnc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000558745395 468713215 /nfs/dbraw/zinc/71/32/15/468713215.db2.gz CAYFQCGGKPHHMS-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C([O-])c1ccnc(N[C@H]2CCO[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000583937458 468776428 /nfs/dbraw/zinc/77/64/28/468776428.db2.gz NKNINVHKLWKFGG-WCQYABFASA-N -1 0 344.327 2.415 20 5 EEBDRM C[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000584031526 468788309 /nfs/dbraw/zinc/78/83/09/468788309.db2.gz UFZGSRNIUMAACX-RISCZKNCSA-N -1 0 335.360 2.032 20 5 EEBDRM O=C([O-])c1occc1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000595244936 468791978 /nfs/dbraw/zinc/79/19/78/468791978.db2.gz LTQIVGDUKJRSKL-UHFFFAOYSA-N -1 0 347.327 2.395 20 5 EEBDRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000595250341 468793838 /nfs/dbraw/zinc/79/38/38/468793838.db2.gz LZZGELZTOWHKHV-PBHICJAKSA-N -1 0 345.355 2.309 20 5 EEBDRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595280608 468799462 /nfs/dbraw/zinc/79/94/62/468799462.db2.gz PMIAZWJBXUWGSY-IONNQARKSA-N -1 0 349.265 2.234 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000592972002 468831341 /nfs/dbraw/zinc/83/13/41/468831341.db2.gz GVOBUWYEWGQLSR-CYBMUJFWSA-N -1 0 347.302 2.405 20 5 EEBDRM CCCn1ccnc1CCCN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592977236 468832688 /nfs/dbraw/zinc/83/26/88/468832688.db2.gz VXOOROKJDTVGNJ-UHFFFAOYSA-N -1 0 347.375 2.364 20 5 EEBDRM O=C([O-])C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCO1 ZINC000592980920 468833378 /nfs/dbraw/zinc/83/33/78/468833378.db2.gz KUHBDHSKYCALKM-GFCCVEGCSA-N -1 0 349.368 2.398 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000584387633 468858111 /nfs/dbraw/zinc/85/81/11/468858111.db2.gz DKPKFYCHCJEIGP-CYBMUJFWSA-N -1 0 333.275 2.075 20 5 EEBDRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)nn2)cc1[N+](=O)[O-] ZINC000584410059 468866156 /nfs/dbraw/zinc/86/61/56/468866156.db2.gz HDLMZIUCFYJLFK-UHFFFAOYSA-N -1 0 336.373 2.365 20 5 EEBDRM COc1ccc(CC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598659172 468949667 /nfs/dbraw/zinc/94/96/67/468949667.db2.gz QQSIWDWAEWDJHJ-GFCCVEGCSA-N -1 0 336.344 2.002 20 5 EEBDRM Cc1cc(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC000562736975 469056231 /nfs/dbraw/zinc/05/62/31/469056231.db2.gz MXTJJJCYVWJZMT-LLVKDONJSA-N -1 0 344.389 2.084 20 5 EEBDRM Cn1nc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc21 ZINC000612773114 469546842 /nfs/dbraw/zinc/54/68/42/469546842.db2.gz NBVAXGMYZHNPSD-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2cccs2)cc([N+](=O)[O-])c1 ZINC000438719379 536569655 /nfs/dbraw/zinc/56/96/55/536569655.db2.gz FXCNUXNJHRHZQI-UHFFFAOYSA-N -1 0 342.354 2.244 20 5 EEBDRM CSC[C@@](C)(O)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000738188439 576720152 /nfs/dbraw/zinc/72/01/52/576720152.db2.gz LUPVXUNVJRJNIR-YVZNUBBCSA-N -1 0 326.374 2.219 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000734736515 577323418 /nfs/dbraw/zinc/32/34/18/577323418.db2.gz HWDHANLYDSJUOU-SECBINFHSA-N -1 0 326.374 2.144 20 5 EEBDRM CCCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000764656169 577486176 /nfs/dbraw/zinc/48/61/76/577486176.db2.gz FSGBZFQWRFXGKF-UHFFFAOYSA-N -1 0 332.403 2.176 20 5 EEBDRM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768883193 577564958 /nfs/dbraw/zinc/56/49/58/577564958.db2.gz WQGSAYMHTKTKLD-UHFFFAOYSA-N -1 0 328.371 2.258 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000769630912 577581668 /nfs/dbraw/zinc/58/16/68/577581668.db2.gz NOKBCQYRWBFQTA-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM Cc1cc(Cl)c(S(=O)(=O)NC[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000752251161 577767966 /nfs/dbraw/zinc/76/79/66/577767966.db2.gz NFBVRPKICBJUKI-ZDUSSCGKSA-N -1 0 348.808 2.262 20 5 EEBDRM O=C(Nc1ccn(Cc2ccccn2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755204577 577821818 /nfs/dbraw/zinc/82/18/18/577821818.db2.gz BLGVFEWMZDRCGX-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000755528957 577826337 /nfs/dbraw/zinc/82/63/37/577826337.db2.gz AJPGEYVPAQQLGJ-BJOHPYRUSA-N -1 0 334.303 2.291 20 5 EEBDRM O=C([O-])c1ccnc(NCc2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC000738692869 578023987 /nfs/dbraw/zinc/02/39/87/578023987.db2.gz MVHFSCDPGCHTSL-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])CCCc1nnc(NC(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000739713137 578065218 /nfs/dbraw/zinc/06/52/18/578065218.db2.gz YSJGXSYJYWHHMH-UHFFFAOYSA-N -1 0 342.358 2.167 20 5 EEBDRM O=C([O-])c1cc(F)ccc1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000740077711 578079841 /nfs/dbraw/zinc/07/98/41/578079841.db2.gz HDWUWHJYMHYABQ-UHFFFAOYSA-N -1 0 344.254 2.228 20 5 EEBDRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000736377278 578199672 /nfs/dbraw/zinc/19/96/72/578199672.db2.gz ZAMQNCWFVYZJGD-SNVBAGLBSA-N -1 0 347.274 2.427 20 5 EEBDRM CC(C)n1cnnc1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736540125 578210210 /nfs/dbraw/zinc/21/02/10/578210210.db2.gz SWQLWAZAKWXLEZ-XQRVVYSFSA-N -1 0 331.332 2.477 20 5 EEBDRM COCc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c1 ZINC000737021983 578233442 /nfs/dbraw/zinc/23/34/42/578233442.db2.gz GPSSYZMETFBVSS-UHFFFAOYSA-N -1 0 327.304 2.060 20 5 EEBDRM CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000737325955 578250564 /nfs/dbraw/zinc/25/05/64/578250564.db2.gz QTELETSSEBLHEB-MRXNPFEDSA-N -1 0 328.324 2.422 20 5 EEBDRM CC(C)[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000817969856 597025430 /nfs/dbraw/zinc/02/54/30/597025430.db2.gz WWXKJLFIZBPNBM-JTQLQIEISA-N -1 0 347.274 2.427 20 5 EEBDRM O=C([O-])C1(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCCCC1 ZINC000819159606 597336341 /nfs/dbraw/zinc/33/63/41/597336341.db2.gz NHLYRDSNLXNGCC-UHFFFAOYSA-N -1 0 340.307 2.016 20 5 EEBDRM O=C([O-])CCCOC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000821524024 597849055 /nfs/dbraw/zinc/84/90/55/597849055.db2.gz CIPPEFMGXOLTSD-UHFFFAOYSA-N -1 0 346.133 2.308 20 5 EEBDRM O=C([O-])[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000821512468 598123100 /nfs/dbraw/zinc/12/31/00/598123100.db2.gz JGNRMLPTCDXTFK-ZDUSSCGKSA-N -1 0 349.368 2.004 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000821392132 598159731 /nfs/dbraw/zinc/15/97/31/598159731.db2.gz IGIXXYSMTQUJLH-UHFFFAOYSA-N -1 0 344.279 2.089 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000833213154 600758074 /nfs/dbraw/zinc/75/80/74/600758074.db2.gz LNNZHGVCIMREOF-UHFFFAOYSA-N -1 0 335.360 2.034 20 5 EEBDRM COc1ccc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000832319010 600904957 /nfs/dbraw/zinc/90/49/57/600904957.db2.gz OXWXKTRUJSPYBC-RYUDHWBXSA-N -1 0 336.344 2.111 20 5 EEBDRM COc1ccc(CC(=O)O[C@@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832288064 600948311 /nfs/dbraw/zinc/94/83/11/600948311.db2.gz ZYARWQRBPFZTAT-ZDUSSCGKSA-N -1 0 325.317 2.188 20 5 EEBDRM Cn1c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000833039244 601581781 /nfs/dbraw/zinc/58/17/81/601581781.db2.gz RJPZLCUOHSQCTB-GFCCVEGCSA-N -1 0 337.719 2.142 20 5 EEBDRM O=C(CCOc1ccccc1[N+](=O)[O-])NCC1(C(=O)[O-])CCCC1 ZINC000833100894 601600874 /nfs/dbraw/zinc/60/08/74/601600874.db2.gz JNMJKJWWUFAIQX-UHFFFAOYSA-N -1 0 336.344 2.125 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCCN2CCCC2=O)cc1Cl ZINC000833306617 602250053 /nfs/dbraw/zinc/25/00/53/602250053.db2.gz DPUPKWVTHWFHBC-UHFFFAOYSA-N -1 0 341.751 2.371 20 5 EEBDRM C[C@H](CN1CCCC1=O)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000827455648 602251623 /nfs/dbraw/zinc/25/16/23/602251623.db2.gz OCWZTYNGXCGYDV-MRVPVSSYSA-N -1 0 341.751 2.369 20 5 EEBDRM CN(CCN1CCCC1=O)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830781001 604267384 /nfs/dbraw/zinc/26/73/84/604267384.db2.gz AJZMFTQKYMMPAC-UHFFFAOYSA-N -1 0 341.751 2.005 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000827010157 604394100 /nfs/dbraw/zinc/39/41/00/604394100.db2.gz CHESUSKZFLTNKN-NSHDSACASA-N -1 0 344.751 2.198 20 5 EEBDRM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833468393 604467577 /nfs/dbraw/zinc/46/75/77/604467577.db2.gz BSHQJIQOPQDWPM-CYBMUJFWSA-N -1 0 338.360 2.066 20 5 EEBDRM Cc1oc(S(=O)(=O)Oc2cccc(C)c2[N+](=O)[O-])cc1C(=O)[O-] ZINC000833753235 604530022 /nfs/dbraw/zinc/53/00/22/604530022.db2.gz HJNGSXXYXFGMLC-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000827097297 604836050 /nfs/dbraw/zinc/83/60/50/604836050.db2.gz IZLPNXOSXDXHEV-UHFFFAOYSA-N -1 0 332.316 2.321 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)Nc2cccc(CC(=O)[O-])c2)c1[N+](=O)[O-] ZINC000817982741 604939464 /nfs/dbraw/zinc/93/94/64/604939464.db2.gz HNMTZCFWUDKCTP-UHFFFAOYSA-N -1 0 332.316 2.321 20 5 EEBDRM Cc1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(N)c([N+](=O)[O-])c1 ZINC000833743038 604997362 /nfs/dbraw/zinc/99/73/62/604997362.db2.gz IDPWBGULUXSHBX-NSHDSACASA-N -1 0 349.387 2.448 20 5 EEBDRM CC(C)(C)[C@@H]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833426485 605383181 /nfs/dbraw/zinc/38/31/81/605383181.db2.gz UWJOOYIZRZHNSF-GFCCVEGCSA-N -1 0 349.387 2.282 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237066720 681527215 /nfs/dbraw/zinc/52/72/15/681527215.db2.gz COIKAXVHHLKIAV-LLVKDONJSA-N -1 0 346.343 2.106 20 5 EEBDRM O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1)c1ncccc1O ZINC001059613644 687401259 /nfs/dbraw/zinc/40/12/59/687401259.db2.gz MBUICDTUUBDDTG-TXEJJXNPSA-N -1 0 328.328 2.068 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000263326322 689678981 /nfs/dbraw/zinc/67/89/81/689678981.db2.gz KPTMVFLYISTLAP-IUCAKERBSA-N -1 0 326.736 2.431 20 5 EEBDRM COc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263377436 689752556 /nfs/dbraw/zinc/75/25/56/689752556.db2.gz AYRSTOKJBQXQGY-NEPJUHHUSA-N -1 0 336.344 2.367 20 5 EEBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000128189963 693242733 /nfs/dbraw/zinc/24/27/33/693242733.db2.gz HMHOMRUHUHAOHQ-UHFFFAOYSA-N -1 0 341.276 2.443 20 5 EEBDRM O=C(NC[C@H](O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000078888327 1210432967 /nfs/dbraw/zinc/43/29/67/1210432967.db2.gz YWKPQGDVXVBRSY-AWEZNQCLSA-N -1 0 336.731 2.417 20 5 EEBDRM O=C(NC[C@H](O)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779672877 1210747339 /nfs/dbraw/zinc/74/73/39/1210747339.db2.gz NVKNXTYEZKGVEG-ZDUSSCGKSA-N -1 0 338.266 2.042 20 5 EEBDRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885910 1277379739 /nfs/dbraw/zinc/37/97/39/1277379739.db2.gz MVPSLBKDMGIPCR-SECBINFHSA-N -1 0 332.353 2.365 20 5 EEBDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000850885530 1277380415 /nfs/dbraw/zinc/38/04/15/1277380415.db2.gz HGSDZRAPCOOXCZ-UHFFFAOYSA-N -1 0 344.364 2.365 20 5 EEBDRM CC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886517 1277380962 /nfs/dbraw/zinc/38/09/62/1277380962.db2.gz XQZMWPDNIBSCTR-GXSJLCMTSA-N -1 0 344.364 2.365 20 5 EEBDRM COCC(=O)c1ccc(O)cc1O[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001227169094 1301719093 /nfs/dbraw/zinc/71/90/93/1301719093.db2.gz PXICVUYHJZZKAT-MRXNPFEDSA-N -1 0 332.312 2.013 20 5 EEBDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc([O-])cc2occc(=O)c12 ZINC001233833182 1304607658 /nfs/dbraw/zinc/60/76/58/1304607658.db2.gz GFLRZIRDWAICCQ-SECBINFHSA-N -1 0 345.311 2.379 20 5 EEBDRM COc1ncccc1-c1noc(Cc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001247987789 1310810806 /nfs/dbraw/zinc/81/08/06/1310810806.db2.gz QLIQGFBUKPTZSW-UHFFFAOYSA-N -1 0 328.284 2.345 20 5 EEBDRM O=[N+]([O-])c1cccc([C@@H]([N-]S(=O)(=O)C2CC2)C(F)(F)F)c1F ZINC000840954073 1315445632 /nfs/dbraw/zinc/44/56/32/1315445632.db2.gz CPPURSQTOJRDPQ-SNVBAGLBSA-N -1 0 342.270 2.419 20 5 EEBDRM CCC1(C(=O)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000842404404 1315698457 /nfs/dbraw/zinc/69/84/57/1315698457.db2.gz RLZGSQNKVZRISR-UHFFFAOYSA-N -1 0 340.401 2.430 20 5 EEBDRM O=C([N-]CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC001164245895 1321329046 /nfs/dbraw/zinc/32/90/46/1321329046.db2.gz CMHJTHMAIUVFDN-UHFFFAOYSA-N -1 0 346.187 2.099 20 5 EEBDRM Nc1cnc(N(CC(F)(F)F)c2ccc([O-])c([N+](=O)[O-])c2)nc1 ZINC001210395702 1325264058 /nfs/dbraw/zinc/26/40/58/1325264058.db2.gz BXOIHFNWSQZVNZ-UHFFFAOYSA-N -1 0 329.238 2.373 20 5 EEBDRM O=C([O-])c1ccoc1COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001601280325 1350247940 /nfs/dbraw/zinc/24/79/40/1350247940.db2.gz JOECRUPFMOSRMR-UHFFFAOYSA-N -1 0 334.284 2.431 20 5 EEBDRM O=C([O-])c1occc1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001602590792 1350552732 /nfs/dbraw/zinc/55/27/32/1350552732.db2.gz HPDMXRXZMIQFAU-CHWSQXEVSA-N -1 0 330.296 2.306 20 5 EEBDRM O=C([O-])c1occc1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001602590795 1350552735 /nfs/dbraw/zinc/55/27/35/1350552735.db2.gz HPDMXRXZMIQFAU-STQMWFEESA-N -1 0 330.296 2.306 20 5 EEBDRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CCOC1 ZINC001608543662 1351712936 /nfs/dbraw/zinc/71/29/36/1351712936.db2.gz OCYPBDBGZQTDSM-WCBMZHEXSA-N -1 0 346.286 2.345 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC001608632956 1351730160 /nfs/dbraw/zinc/73/01/60/1351730160.db2.gz HQLCWJGNVGXWFW-WZRBSPASSA-N -1 0 336.319 2.449 20 5 EEBDRM O=C([O-])Cc1csc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001608791918 1351764872 /nfs/dbraw/zinc/76/48/72/1351764872.db2.gz GLRCRKAMPHTLIA-NWDGAFQWSA-N -1 0 347.352 2.421 20 5 EEBDRM O=C([O-])c1cc(OC[C@@H]2CCC3(CCOCC3)O2)ccc1[N+](=O)[O-] ZINC001608857470 1351779889 /nfs/dbraw/zinc/77/98/89/1351779889.db2.gz KDSQLQBKRCVGQR-LBPRGKRZSA-N -1 0 337.328 2.400 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@@H](CO)c2cccc(F)c2)c1 ZINC001608914563 1351792996 /nfs/dbraw/zinc/79/29/96/1351792996.db2.gz XRAQSOJWCMXNPS-AWEZNQCLSA-N -1 0 334.303 2.255 20 5 EEBDRM O=C([O-])c1cccc(Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 ZINC001608933556 1351797504 /nfs/dbraw/zinc/79/75/04/1351797504.db2.gz QIAPKYVYDNDGSX-UHFFFAOYSA-N -1 0 340.295 2.253 20 5 EEBDRM O=C([O-])c1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001608944124 1351799833 /nfs/dbraw/zinc/79/98/33/1351799833.db2.gz MVGQBKXDPIHZCI-UHFFFAOYSA-N -1 0 326.308 2.492 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC001608988933 1351808965 /nfs/dbraw/zinc/80/89/65/1351808965.db2.gz IJAWTHPAKRBCJG-UHFFFAOYSA-N -1 0 329.268 2.297 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001320666009 1332932229 /nfs/dbraw/zinc/93/22/29/1332932229.db2.gz IMEDIOOQXYNSLG-UHFFFAOYSA-N -1 0 343.295 2.407 20 5 EEBDRM O=C(NC1CCC(O)(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001324617097 1333723716 /nfs/dbraw/zinc/72/37/16/1333723716.db2.gz SZVJYQKFFOYPFO-UHFFFAOYSA-N -1 0 348.277 2.266 20 5 EEBDRM CC(C)(CCC(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-])[N+](=O)[O-] ZINC001609674385 1352055659 /nfs/dbraw/zinc/05/56/59/1352055659.db2.gz UVTXARPSZBXYBZ-GFCCVEGCSA-N -1 0 327.308 2.200 20 5 EEBDRM COc1c(C(=O)N(C)c2ncc(C(=O)[O-])s2)cccc1[N+](=O)[O-] ZINC001610276858 1352198342 /nfs/dbraw/zinc/19/83/42/1352198342.db2.gz ICKVLTGKGWEHFB-UHFFFAOYSA-N -1 0 337.313 2.035 20 5 EEBDRM COc1cc(C(=O)Nc2cccc(C(=O)[O-])c2N)ccc1[N+](=O)[O-] ZINC001610281179 1352199106 /nfs/dbraw/zinc/19/91/06/1352199106.db2.gz FSLNRKUJRYGWRF-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM COc1ccc(OC)c(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001610343784 1352208338 /nfs/dbraw/zinc/20/83/38/1352208338.db2.gz ZWYUHHPYRHLLJU-UHFFFAOYSA-N -1 0 333.300 2.317 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001610685031 1352260105 /nfs/dbraw/zinc/26/01/05/1352260105.db2.gz CIYBOACUUIDRAA-CYBMUJFWSA-N -1 0 348.286 2.038 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c[nH]1 ZINC001610695009 1352260906 /nfs/dbraw/zinc/26/09/06/1352260906.db2.gz KENKUSTXNCVNTC-UHFFFAOYSA-N -1 0 342.311 2.075 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCc2ccsc2)c([N+](=O)[O-])c1 ZINC001610784534 1352274025 /nfs/dbraw/zinc/27/40/25/1352274025.db2.gz SJNYBOOIBHFKOK-UHFFFAOYSA-N -1 0 335.341 2.083 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001610792635 1352275412 /nfs/dbraw/zinc/27/54/12/1352275412.db2.gz UHMVIRGCXQECLT-CQSZACIVSA-N -1 0 330.340 2.237 20 5 EEBDRM Cc1c(C(=O)OCCCCC(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001600006403 1349953609 /nfs/dbraw/zinc/95/36/09/1349953609.db2.gz NTNYFIHTEUCINY-UHFFFAOYSA-N -1 0 326.261 2.223 20 5 EEBDRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001600118005 1349974087 /nfs/dbraw/zinc/97/40/87/1349974087.db2.gz AHFRCFOOTLZABQ-CQSZACIVSA-N -1 0 330.296 2.274 20 5 EEBDRM Cc1cc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])oc1C(=O)[O-] ZINC001600199416 1349991083 /nfs/dbraw/zinc/99/10/83/1349991083.db2.gz IKUASMXLYVMOMT-UHFFFAOYSA-N -1 0 336.275 2.192 20 5 EEBDRM Cc1cc(OCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001600288295 1350011489 /nfs/dbraw/zinc/01/14/89/1350011489.db2.gz ZJYVBRZKEVDEFC-LBPRGKRZSA-N -1 0 338.360 2.288 20 5 EEBDRM Cc1ccc(OS(=O)(=O)CC2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC001600472688 1350060195 /nfs/dbraw/zinc/06/01/95/1350060195.db2.gz PGEWZIDNJCATSX-UHFFFAOYSA-N -1 0 343.357 2.257 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCCC[C@H]1C(=O)[O-] ZINC001600552483 1350080683 /nfs/dbraw/zinc/08/06/83/1350080683.db2.gz VEZGXMFESDNTOU-ZDUSSCGKSA-N -1 0 335.360 2.171 20 5 EEBDRM Cc1cccc2nc(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])n(C)c21 ZINC001600560618 1350082999 /nfs/dbraw/zinc/08/29/99/1350082999.db2.gz OEBNVLMJEVVUCX-UHFFFAOYSA-N -1 0 341.327 2.495 20 5 EEBDRM Cc1nc2ccccn2c1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600730079 1350123242 /nfs/dbraw/zinc/12/32/42/1350123242.db2.gz MAKUIZQYKPRTNB-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM Cc1sc(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)cc1[N+](=O)[O-] ZINC001600865434 1350155454 /nfs/dbraw/zinc/15/54/54/1350155454.db2.gz FEGABGVZPOYYBU-JTQLQIEISA-N -1 0 335.341 2.306 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)Cc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC001601361703 1350266607 /nfs/dbraw/zinc/26/66/07/1350266607.db2.gz LICBDBLBMKVHNF-UHFFFAOYSA-N -1 0 343.291 2.376 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001601528610 1350300776 /nfs/dbraw/zinc/30/07/76/1350300776.db2.gz VTWQUDNFZZEYDG-DGCLKSJQSA-N -1 0 336.347 2.132 20 5 EEBDRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC001601575848 1350310872 /nfs/dbraw/zinc/31/08/72/1350310872.db2.gz NBOYHZXTWWJLSZ-XYPYZODXSA-N -1 0 336.347 2.274 20 5 EEBDRM O=C([O-])[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@@H]1CCOC1 ZINC001601654928 1350328952 /nfs/dbraw/zinc/32/89/52/1350328952.db2.gz GGZYVWIAGMHUMW-VXGBXAGGSA-N -1 0 335.360 2.018 20 5 EEBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001601703985 1350342958 /nfs/dbraw/zinc/34/29/58/1350342958.db2.gz BAPFTZOCOYBFQI-LLVKDONJSA-N -1 0 349.221 2.346 20 5 EEBDRM O=C([O-])C1CC2(C1)C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)CCO2 ZINC001601788562 1350364831 /nfs/dbraw/zinc/36/48/31/1350364831.db2.gz NYGQBUBVMZIGDE-PUUHTONNSA-N -1 0 341.751 2.468 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@@H]2CCCC23OCCO3)c([N+](=O)[O-])c1 ZINC001601883079 1350390012 /nfs/dbraw/zinc/39/00/12/1350390012.db2.gz QIPUGYNSQRGQAE-KXQLTZBTSA-N -1 0 334.328 2.400 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccncc1 ZINC001601903953 1350393780 /nfs/dbraw/zinc/39/37/80/1350393780.db2.gz LSWABHRUZFJYRK-CYBMUJFWSA-N -1 0 333.275 2.075 20 5 EEBDRM O=C([O-])CCNC(=O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001602021515 1350419956 /nfs/dbraw/zinc/41/99/56/1350419956.db2.gz IVAWYBIXVARGFB-UHFFFAOYSA-N -1 0 344.323 2.232 20 5 EEBDRM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001602211570 1350467471 /nfs/dbraw/zinc/46/74/71/1350467471.db2.gz UCKLAAJKSDSFRB-SNVBAGLBSA-N -1 0 339.254 2.011 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@H]2OCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001602246203 1350475647 /nfs/dbraw/zinc/47/56/47/1350475647.db2.gz KKNSILPHLGMWSH-OAHLLOKOSA-N -1 0 342.307 2.294 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCc2cc(Cl)ccn2)cc([N+](=O)[O-])c1 ZINC001602247632 1350475867 /nfs/dbraw/zinc/47/58/67/1350475867.db2.gz RUZJCOHYNBCEFI-UHFFFAOYSA-N -1 0 335.703 2.271 20 5 EEBDRM O=C([O-])c1cc(F)cc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c1 ZINC001602274251 1350483315 /nfs/dbraw/zinc/48/33/15/1350483315.db2.gz LYCFNEGEULRRNQ-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccsc2)c1 ZINC001602408008 1350512890 /nfs/dbraw/zinc/51/28/90/1350512890.db2.gz LNMITSBGJQVBHY-UHFFFAOYSA-N -1 0 329.311 2.122 20 5 EEBDRM O=C([O-])c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC001602452604 1350522452 /nfs/dbraw/zinc/52/24/52/1350522452.db2.gz MEWYGRQZFTZFNH-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1cncc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)c1 ZINC001602534559 1350540964 /nfs/dbraw/zinc/54/09/64/1350540964.db2.gz YLULZNVYCVCLNF-UHFFFAOYSA-N -1 0 327.296 2.281 20 5 EEBDRM CC(C)(C(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001603235147 1350667938 /nfs/dbraw/zinc/66/79/38/1350667938.db2.gz IDDIFAZEOGTCJO-JTQLQIEISA-N -1 0 336.319 2.301 20 5 EEBDRM CC(C)C[C@@H]1COCCN1c1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001603269964 1350676008 /nfs/dbraw/zinc/67/60/08/1350676008.db2.gz HPYYQYINWDHESY-GFCCVEGCSA-N -1 0 332.364 2.026 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CCC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001603902085 1350798701 /nfs/dbraw/zinc/79/87/01/1350798701.db2.gz XWGCSQQLJCNBQW-QGZVFWFLSA-N -1 0 349.387 2.424 20 5 EEBDRM CCCC1(C(=O)OCc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604151346 1350875631 /nfs/dbraw/zinc/87/56/31/1350875631.db2.gz ACOPFTJPNVZBPZ-UHFFFAOYSA-N -1 0 331.332 2.398 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604313015 1350913464 /nfs/dbraw/zinc/91/34/64/1350913464.db2.gz DLRMGSOUNKDJGX-QWRGUYRKSA-N -1 0 335.360 2.177 20 5 EEBDRM C[C@@H](c1ccccc1)[C@@H](O)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604467457 1350943735 /nfs/dbraw/zinc/94/37/35/1350943735.db2.gz DLMNGBWXPYDARD-GWCFXTLKSA-N -1 0 331.328 2.265 20 5 EEBDRM CC[C@H](COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001605046003 1351065879 /nfs/dbraw/zinc/06/58/79/1351065879.db2.gz AVUHHVFWSKDXNG-SNVBAGLBSA-N -1 0 333.300 2.048 20 5 EEBDRM CSCC1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001605377425 1351148477 /nfs/dbraw/zinc/14/84/77/1351148477.db2.gz UPPGRBPGXLVIAL-UHFFFAOYSA-N -1 0 334.405 2.354 20 5 EEBDRM CCOC(=O)C1=CC[C@@H](Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001605521410 1351178449 /nfs/dbraw/zinc/17/84/49/1351178449.db2.gz ASCDQOMVAQZEQO-SNVBAGLBSA-N -1 0 335.316 2.060 20 5 EEBDRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001605620390 1351202514 /nfs/dbraw/zinc/20/25/14/1351202514.db2.gz GKPIYFZDNMHKMP-LBPRGKRZSA-N -1 0 344.751 2.118 20 5 EEBDRM COC(=O)CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC001606471750 1351306921 /nfs/dbraw/zinc/30/69/21/1351306921.db2.gz NHLRGDOIPDNJQE-UHFFFAOYSA-N -1 0 336.344 2.211 20 5 EEBDRM COc1ccc(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1F ZINC001607249427 1351458687 /nfs/dbraw/zinc/45/86/87/1351458687.db2.gz SZBPZYDRSQONQG-UHFFFAOYSA-N -1 0 335.291 2.490 20 5 EEBDRM COc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC001607303729 1351468861 /nfs/dbraw/zinc/46/88/61/1351468861.db2.gz PVWZTBHJTMVSEC-MDZLAQPJSA-N -1 0 348.355 2.319 20 5 EEBDRM Cc1c(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)cccc1[N+](=O)[O-] ZINC001607507101 1351507783 /nfs/dbraw/zinc/50/77/83/1351507783.db2.gz YTPGMXZMQKUJLX-UHFFFAOYSA-N -1 0 333.300 2.255 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001607621279 1351526673 /nfs/dbraw/zinc/52/66/73/1351526673.db2.gz RPVWYWNKFAHUSI-JTQLQIEISA-N -1 0 337.328 2.437 20 5 EEBDRM Cc1ccc2ncc(Cn3cc(C(=O)[O-])cc([N+](=O)[O-])c3=O)cc2c1 ZINC001607833675 1351567947 /nfs/dbraw/zinc/56/79/47/1351567947.db2.gz VWILZBIDOSYVLV-UHFFFAOYSA-N -1 0 339.307 2.360 20 5 EEBDRM Nc1c(C(=O)O[C@H](C(=O)[O-])c2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC001608267655 1351659183 /nfs/dbraw/zinc/65/91/83/1351659183.db2.gz LYMADGRLNLTJDE-ZDUSSCGKSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001608454934 1351698843 /nfs/dbraw/zinc/69/88/43/1351698843.db2.gz UBBUZSAMGWPUEP-UHFFFAOYSA-N -1 0 330.300 2.052 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2CCO3)cs1 ZINC000794608663 1369585041 /nfs/dbraw/zinc/58/50/41/1369585041.db2.gz UMKZQNHLKDNYBB-UHFFFAOYSA-N -1 0 326.355 2.392 20 5 EEBDRM O=C(NCc1nnc(-c2ccccc2)[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780458703 1371160188 /nfs/dbraw/zinc/16/01/88/1371160188.db2.gz KDYCKMXFOVCXEO-UHFFFAOYSA-N -1 0 339.311 2.016 20 5 EEBDRM Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCC(C)(F)CC1 ZINC001121403506 1371877820 /nfs/dbraw/zinc/87/78/20/1371877820.db2.gz GRQUJCDUPODXGM-UHFFFAOYSA-N -1 0 335.339 2.424 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000796704930 774500081 /nfs/dbraw/zinc/50/00/81/774500081.db2.gz FOLCUJNNKXANBK-JTQLQIEISA-N -1 0 344.389 2.099 20 5 EEBDRM C[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccc(Br)nc1 ZINC001226331985 781449721 /nfs/dbraw/zinc/44/97/21/781449721.db2.gz QVWQRIYRDICQGJ-LURJTMIESA-N -1 0 341.121 2.388 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)nn1C ZINC000817353696 784692853 /nfs/dbraw/zinc/69/28/53/784692853.db2.gz DBHHUFNPXPRKKW-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM Cc1n[nH]c(C(=O)NCC=CCNc2ccc([N+](=O)[O-])c(C)c2)c1[O-] ZINC001107126840 785269681 /nfs/dbraw/zinc/26/96/81/785269681.db2.gz KIOGJUPFJNMYMH-ARJAWSKDSA-N -1 0 345.359 2.038 20 5 EEBDRM Cc1ccn2ncnc2c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000820800006 786479364 /nfs/dbraw/zinc/47/93/64/786479364.db2.gz RCHMBOFETSZNTH-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1n[nH]c(C(=O)NCC2(Nc3ccc([N+](=O)[O-])c(C)c3)CC2)c1[O-] ZINC001110108193 788217548 /nfs/dbraw/zinc/21/75/48/788217548.db2.gz KLBOQJFHGWKDKZ-UHFFFAOYSA-N -1 0 345.359 2.015 20 5 EEBDRM COc1ccccc1OCCN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000844208024 788926276 /nfs/dbraw/zinc/92/62/76/788926276.db2.gz LSIJZZWHUFJZFU-UHFFFAOYSA-N -1 0 347.327 2.212 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc([C@H](C)O)c(C)n2)n1 ZINC000844212762 788931325 /nfs/dbraw/zinc/93/13/25/788931325.db2.gz AIBJJMZPSSCOGA-JTQLQIEISA-N -1 0 346.343 2.365 20 5 EEBDRM CC[C@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000797150153 800557400 /nfs/dbraw/zinc/55/74/00/800557400.db2.gz KVBCQOPBZWVMRU-VIFPVBQESA-N -1 0 332.353 2.365 20 5 EEBDRM Cc1cc(-n2cc(COC(=O)c3ccc([N+](=O)[O-])[n-]3)nn2)ccc1F ZINC000786764649 806881099 /nfs/dbraw/zinc/88/10/99/806881099.db2.gz AFBMLABBPDZDIV-UHFFFAOYSA-N -1 0 345.290 2.308 20 5 EEBDRM CC(C)(O)CO[N-]C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000791262922 809143152 /nfs/dbraw/zinc/14/31/52/809143152.db2.gz GVBMWZANNLMHKF-UHFFFAOYSA-N -1 0 334.781 2.159 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000809063655 812953571 /nfs/dbraw/zinc/95/35/71/812953571.db2.gz BTLCDOLXTRGXQD-UHFFFAOYSA-N -1 0 348.380 2.092 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001600748565 970857541 /nfs/dbraw/zinc/85/75/41/970857541.db2.gz WGAPQWNOKABZRZ-CABCVRRESA-N -1 0 341.323 2.341 20 5 EEBDRM CC[C@H](CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001589555227 948785902 /nfs/dbraw/zinc/78/59/02/948785902.db2.gz LZAYDBUGSSYHAR-LLVKDONJSA-N -1 0 330.344 2.305 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001594990532 951040401 /nfs/dbraw/zinc/04/04/01/951040401.db2.gz IFLMDPKMDVZCIJ-TUKIKUTGSA-N -1 0 332.356 2.412 20 5 EEBDRM O=C([O-])CCC(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC001594998549 951102576 /nfs/dbraw/zinc/10/25/76/951102576.db2.gz UYYDVFDCTJZYOM-UHFFFAOYSA-N -1 0 332.106 2.265 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001589303371 953710062 /nfs/dbraw/zinc/71/00/62/953710062.db2.gz REIVWYCXBDPSOF-HQRZJTNHSA-N -1 0 332.356 2.410 20 5 EEBDRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC001589337944 954010468 /nfs/dbraw/zinc/01/04/68/954010468.db2.gz ZYQXBSAEDSWFIZ-KAOXEZKKSA-N -1 0 332.356 2.268 20 5 EEBDRM O=C([O-])C1(CNc2ncc([N+](=O)[O-])c3ccccc32)CCOCC1 ZINC001594880688 954429117 /nfs/dbraw/zinc/42/91/17/954429117.db2.gz REETUFPOAXCVFE-UHFFFAOYSA-N -1 0 331.328 2.436 20 5 EEBDRM O=C([O-])/C=C\c1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])co1 ZINC001594969661 955095263 /nfs/dbraw/zinc/09/52/63/955095263.db2.gz JVSCZKMAKLHESB-WAYWQWQTSA-N -1 0 345.311 2.128 20 5 EEBDRM Cc1cc(OCC(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594328689 958198400 /nfs/dbraw/zinc/19/84/00/958198400.db2.gz XCOAEFVGWFYRCW-BXUZGUMPSA-N -1 0 336.344 2.136 20 5 EEBDRM Cc1ccc([C@H](C)OC(=O)c2cc(C(=O)[O-])nn2C)cc1[N+](=O)[O-] ZINC001594377970 958606708 /nfs/dbraw/zinc/60/67/08/958606708.db2.gz MCFXAYHLNXBQNG-VIFPVBQESA-N -1 0 333.300 2.253 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC001594381528 958629114 /nfs/dbraw/zinc/62/91/14/958629114.db2.gz ZVMXFPQJOFUVTH-LBPRGKRZSA-N -1 0 338.360 2.288 20 5 EEBDRM C[C@H](C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001588546966 959001998 /nfs/dbraw/zinc/00/19/98/959001998.db2.gz DRMCBUDPUUYWPA-KWBADKCTSA-N -1 0 338.335 2.407 20 5 EEBDRM C[C@@H](CNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001573698034 959797113 /nfs/dbraw/zinc/79/71/13/959797113.db2.gz IMAIDUBPRUSZBB-AGIUHOORSA-N -1 0 349.387 2.451 20 5 EEBDRM Cc1cc(NC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001574338434 960928503 /nfs/dbraw/zinc/92/85/03/960928503.db2.gz TYPBHCLYGPHDDO-CQSZACIVSA-N -1 0 344.327 2.116 20 5 EEBDRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001592203493 977228605 /nfs/dbraw/zinc/22/86/05/977228605.db2.gz HRNDLSBNCDQPFT-BIPIGHIPSA-N -1 0 343.133 2.116 20 5 EEBDRM C[C@H](CC(=O)[O-])C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001592356415 977836681 /nfs/dbraw/zinc/83/66/81/977836681.db2.gz MKTTUDXFHZSHOC-SSDOTTSWSA-N -1 0 334.250 2.341 20 5 EEBDRM C[C@@H](CC1CCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001592465973 978210192 /nfs/dbraw/zinc/21/01/92/978210192.db2.gz QMSODQKBJJGZAF-VIFPVBQESA-N -1 0 342.373 2.150 20 5 EEBDRM CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595404936 980984190 /nfs/dbraw/zinc/98/41/90/980984190.db2.gz NDHPCDSJOLUGHY-JOYOIKCWSA-N -1 0 342.373 2.102 20 5 EEBDRM CC[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@H]1C ZINC001595463921 981147860 /nfs/dbraw/zinc/14/78/60/981147860.db2.gz HBXKUBWVDKYYFJ-VHSXEESVSA-N -1 0 342.373 2.102 20 5 EEBDRM CCN(CC)C(=O)CSc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001596248087 983650396 /nfs/dbraw/zinc/65/03/96/983650396.db2.gz TXXGAZUGRNUDGR-UHFFFAOYSA-N -1 0 326.374 2.182 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(Nc2ncnc3ccc([N+](=O)[O-])cc32)cn1 ZINC001588619920 983718003 /nfs/dbraw/zinc/71/80/03/983718003.db2.gz ICLPIOALQLYOPY-UHFFFAOYSA-N -1 0 342.315 2.298 20 5 EEBDRM C[Si](C)(CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001599939866 985441132 /nfs/dbraw/zinc/44/11/32/985441132.db2.gz QNEPURUQMOXXCE-UHFFFAOYSA-N -1 0 331.404 2.255 20 5 EEBDRM CC(C)(C(=O)N[C@@H](CC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC001589564339 987327147 /nfs/dbraw/zinc/32/71/47/987327147.db2.gz VEPQGFRQWJSQGC-ZDUSSCGKSA-N -1 0 338.335 2.381 20 5 EEBDRM CCc1ncncc1C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001597708890 988955465 /nfs/dbraw/zinc/95/54/65/988955465.db2.gz BELLHIUACQZWEV-UHFFFAOYSA-N -1 0 331.284 2.002 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001599883693 989520751 /nfs/dbraw/zinc/52/07/51/989520751.db2.gz JMDDKSQRYLPMLG-INIZCTEOSA-N -1 0 344.327 2.064 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001597845418 989561647 /nfs/dbraw/zinc/56/16/47/989561647.db2.gz WKITZGFXAMAAOM-UHFFFAOYSA-N -1 0 330.344 2.381 20 5 EEBDRM CCn1nc(C)c(CN(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])c1C ZINC001597933579 989897818 /nfs/dbraw/zinc/89/78/18/989897818.db2.gz NEGPRRUJAVJIGM-UHFFFAOYSA-N -1 0 333.348 2.158 20 5 EEBDRM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598118816 990529827 /nfs/dbraw/zinc/52/98/27/990529827.db2.gz OSVMKXQOMMGMHO-CMPLNLGQSA-N -1 0 335.360 2.352 20 5 EEBDRM CC(C)[C@@]1(C)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001591061855 991504988 /nfs/dbraw/zinc/50/49/88/991504988.db2.gz PHWCKWATDVFXNC-GXTWGEPZSA-N -1 0 342.373 2.006 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001598501957 992446466 /nfs/dbraw/zinc/44/64/66/992446466.db2.gz IDTURNXVVLVYKG-OCCSQVGLSA-N -1 0 349.387 2.422 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccoc1CC(=O)[O-] ZINC001598502010 992447407 /nfs/dbraw/zinc/44/74/07/992447407.db2.gz LOTPPDUBGWMBJJ-UHFFFAOYSA-N -1 0 332.312 2.130 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598502226 992449790 /nfs/dbraw/zinc/44/97/90/992449790.db2.gz PGPKOFODVMBESV-UHFFFAOYSA-N -1 0 344.327 2.394 20 5 EEBDRM COc1ccc(NC(=O)NCCCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599594442 993731246 /nfs/dbraw/zinc/73/12/46/993731246.db2.gz RBTISQRPTNAYAM-UHFFFAOYSA-N -1 0 325.321 2.370 20 5 EEBDRM CC1(C)C[C@@]1(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001593865429 996671248 /nfs/dbraw/zinc/67/12/48/996671248.db2.gz QKVIMVYEXAAQOM-AWEZNQCLSA-N -1 0 342.373 2.008 20 5 EEBDRM CC1(C)CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H]1[C@H]1CCCO1 ZINC001593936796 996921928 /nfs/dbraw/zinc/92/19/28/996921928.db2.gz VNHZGOVQYVOQBR-KGLIPLIRSA-N -1 0 348.355 2.323 20 5 EEBDRM CC1=C(C(=O)[O-])C[C@H](Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)O1 ZINC001594108367 998179088 /nfs/dbraw/zinc/17/90/88/998179088.db2.gz JBRUWKLXAUDAOD-SNVBAGLBSA-N -1 0 330.296 2.057 20 5 EEBDRM COCC(C)(C)CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599144725 998192199 /nfs/dbraw/zinc/19/21/99/998192199.db2.gz IKOWGWXNNAYNDX-MRXNPFEDSA-N -1 0 338.360 2.074 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599461701 998283222 /nfs/dbraw/zinc/28/32/22/998283222.db2.gz AMBREISQVFJMLJ-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM C[C@H]1C[C@@H]1c1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC001594277722 999074364 /nfs/dbraw/zinc/07/43/64/999074364.db2.gz RQJHYNPOCRVPDA-CPCISQLKSA-N -1 0 330.300 2.392 20 5 EEBDRM O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000066941689 215097686 /nfs/dbraw/zinc/09/76/86/215097686.db2.gz UYSIWQKYZNVEDJ-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261631466 304087151 /nfs/dbraw/zinc/08/71/51/304087151.db2.gz HRRRNJRMKXLWLW-VIFPVBQESA-N -1 0 344.776 2.281 20 5 EEBDRM O=C(Nc1c[nH]nc1-c1nccs1)c1cccc([N+](=O)[O-])c1[O-] ZINC000446703289 242213210 /nfs/dbraw/zinc/21/32/10/242213210.db2.gz XFCVRNGJNKXMPA-UHFFFAOYSA-N -1 0 331.313 2.399 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000262748822 245159782 /nfs/dbraw/zinc/15/97/82/245159782.db2.gz XUMBMKDOUPJXDS-PWSUYJOCSA-N -1 0 333.344 2.152 20 5 EEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262964029 245273062 /nfs/dbraw/zinc/27/30/62/245273062.db2.gz MFKGABWLEFLPFJ-NOLJZWGESA-N -1 0 332.356 2.239 20 5 EEBDRM CC(C)(C)CC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000263108388 245331179 /nfs/dbraw/zinc/33/11/79/245331179.db2.gz JLBYNYHMQMYIQH-LLVKDONJSA-N -1 0 338.360 2.369 20 5 EEBDRM O=C([O-])C1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000263403787 245408260 /nfs/dbraw/zinc/40/82/60/245408260.db2.gz FTGGOMCLBSKRGY-UHFFFAOYSA-N -1 0 344.776 2.321 20 5 EEBDRM CCc1cnc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000266255343 248204830 /nfs/dbraw/zinc/20/48/30/248204830.db2.gz CJPKIKWAXVNHIC-UHFFFAOYSA-N -1 0 345.377 2.231 20 5 EEBDRM C[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000424252025 296368308 /nfs/dbraw/zinc/36/83/08/296368308.db2.gz JWNJACSUQKOMEW-ABAIWWIYSA-N -1 0 336.344 2.075 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000267638248 256074555 /nfs/dbraw/zinc/07/45/55/256074555.db2.gz JCRAEPFVEBCQRE-UHFFFAOYSA-N -1 0 346.365 2.339 20 5 EEBDRM CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000263041850 152362944 /nfs/dbraw/zinc/36/29/44/152362944.db2.gz VVCGQKOZELOEBN-ZETCQYMHSA-N -1 0 349.112 2.089 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000263137507 152383790 /nfs/dbraw/zinc/38/37/90/152383790.db2.gz DJFIECHRKBPTKM-MNOVXSKESA-N -1 0 338.385 2.256 20 5 EEBDRM CSc1nc(=O)n(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[n-]1 ZINC000338565992 286734283 /nfs/dbraw/zinc/73/42/83/286734283.db2.gz HADLXNWVOWEKAF-UHFFFAOYSA-N -1 0 334.279 2.269 20 5 EEBDRM O=C([O-])c1cccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000238218194 160229423 /nfs/dbraw/zinc/22/94/23/160229423.db2.gz GCXGMTJLLRMGKR-UHFFFAOYSA-N -1 0 340.295 2.099 20 5 EEBDRM CN(CC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000344448982 161228365 /nfs/dbraw/zinc/22/83/65/161228365.db2.gz VRLDMIYZYAFOSJ-UHFFFAOYSA-N -1 0 343.339 2.046 20 5 EEBDRM C[NH+](C)Cc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000355380490 163168620 /nfs/dbraw/zinc/16/86/20/163168620.db2.gz NMZFOTUCZQEHMR-UHFFFAOYSA-N -1 0 329.356 2.292 20 5 EEBDRM CC[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000355477314 163203714 /nfs/dbraw/zinc/20/37/14/163203714.db2.gz ZOLKSRWEPKDIAM-QMMMGPOBSA-N -1 0 330.362 2.020 20 5 EEBDRM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000360540422 164332610 /nfs/dbraw/zinc/33/26/10/164332610.db2.gz OVSCNXHKKGENEO-SNVBAGLBSA-N -1 0 348.396 2.199 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H](OCc2ccncc2)C1 ZINC000272586016 268996198 /nfs/dbraw/zinc/99/61/98/268996198.db2.gz UYHUNBMBXTVXCQ-INIZCTEOSA-N -1 0 343.339 2.127 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC(=O)[O-])C(C)C ZINC000275135271 269097263 /nfs/dbraw/zinc/09/72/63/269097263.db2.gz OHUDBNMYHKHYEK-UHFFFAOYSA-N -1 0 344.389 2.031 20 5 EEBDRM CSCc1noc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000271467793 274133312 /nfs/dbraw/zinc/13/33/12/274133312.db2.gz IJLVQTQXALMEOI-UHFFFAOYSA-N -1 0 338.345 2.118 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000290485735 275211617 /nfs/dbraw/zinc/21/16/17/275211617.db2.gz IMMIXJVFWQULIS-UHFFFAOYSA-N -1 0 344.780 2.345 20 5 EEBDRM CO[C@@](C)(CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C1CC1 ZINC000291599548 275321415 /nfs/dbraw/zinc/32/14/15/275321415.db2.gz CNXFSZMFMPJSJT-HNNXBMFYSA-N -1 0 342.417 2.305 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000292583903 275450926 /nfs/dbraw/zinc/45/09/26/275450926.db2.gz PMEXZNLYAZZJBV-LSDHHAIUSA-N -1 0 332.356 2.474 20 5 EEBDRM CC(C)(CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263044317 278607185 /nfs/dbraw/zinc/60/71/85/278607185.db2.gz PLSBURDEFVYQIX-UHFFFAOYSA-N -1 0 349.387 2.426 20 5 EEBDRM CC(C)C[C@@H]1COCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262399134 279038741 /nfs/dbraw/zinc/03/87/41/279038741.db2.gz LZUKGBIYCRAYEA-CQSZACIVSA-N -1 0 336.344 2.180 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263138930 279603430 /nfs/dbraw/zinc/60/34/30/279603430.db2.gz GMQQEEFVFUGUAO-YPMHNXCESA-N -1 0 349.387 2.280 20 5 EEBDRM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000263534246 294595366 /nfs/dbraw/zinc/59/53/66/294595366.db2.gz NUTNSPZKATVQGO-FZMZJTMJSA-N -1 0 336.344 2.032 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@@H](C(=O)[O-])C1 ZINC000263430975 295277123 /nfs/dbraw/zinc/27/71/23/295277123.db2.gz SULDVJNEOUPJRM-SNVBAGLBSA-N -1 0 331.328 2.453 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262875501 297676441 /nfs/dbraw/zinc/67/64/41/297676441.db2.gz BIKLZBZXEDCJGZ-YPMHNXCESA-N -1 0 347.371 2.130 20 5 EEBDRM CO[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC(C)C ZINC000416655874 313287669 /nfs/dbraw/zinc/28/76/69/313287669.db2.gz XJIBIMAOSULZOH-JTQLQIEISA-N -1 0 334.369 2.073 20 5 EEBDRM CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000436790926 314999146 /nfs/dbraw/zinc/99/91/46/314999146.db2.gz JRRZZCGHBBRXIS-OAHLLOKOSA-N -1 0 344.323 2.335 20 5 EEBDRM Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436805535 315000240 /nfs/dbraw/zinc/00/02/40/315000240.db2.gz DJGVTUPHDODFGK-JTQLQIEISA-N -1 0 346.343 2.180 20 5 EEBDRM CCc1ccc([C@@H](CO)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436958542 315016680 /nfs/dbraw/zinc/01/66/80/315016680.db2.gz IHRFYKALGZKRDZ-OAHLLOKOSA-N -1 0 330.340 2.326 20 5 EEBDRM COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436969441 315018253 /nfs/dbraw/zinc/01/82/53/315018253.db2.gz YLCIOEJQQYNPSM-HNNXBMFYSA-N -1 0 344.323 2.287 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000436972037 315018685 /nfs/dbraw/zinc/01/86/85/315018685.db2.gz MIDCKWJIZZVKTI-GFCCVEGCSA-N -1 0 344.371 2.365 20 5 EEBDRM CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1C ZINC000436981936 315019180 /nfs/dbraw/zinc/01/91/80/315019180.db2.gz RVDCGTNMDPTHKO-UHFFFAOYSA-N -1 0 333.300 2.068 20 5 EEBDRM CO[C@H](C)c1nc(=NC(=O)C=Cc2ccccc2[N+](=O)[O-])s[n-]1 ZINC000493091743 315875618 /nfs/dbraw/zinc/87/56/18/315875618.db2.gz WWMHFXMBQITEFT-FCZSHJHJSA-N -1 0 334.357 2.228 20 5 EEBDRM CCOC(=O)N[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000495567767 316006347 /nfs/dbraw/zinc/00/63/47/316006347.db2.gz XXDICTDTBRLUGE-LBPRGKRZSA-N -1 0 325.321 2.010 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CCC[C@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000515046676 316453838 /nfs/dbraw/zinc/45/38/38/316453838.db2.gz VWHGYCMAFNZGRB-GFCCVEGCSA-N -1 0 349.387 2.424 20 5 EEBDRM O=C([O-])c1cc(NCc2ccnc(-n3cccn3)c2)ccc1[N+](=O)[O-] ZINC000516593980 316573945 /nfs/dbraw/zinc/57/39/45/316573945.db2.gz PISNKVQYCFWCCF-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM CC(=O)Nc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000525259087 317050674 /nfs/dbraw/zinc/05/06/74/317050674.db2.gz JPGQPYKEXJQRHC-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM O=C(NCCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1[O-] ZINC000532649851 317875923 /nfs/dbraw/zinc/87/59/23/317875923.db2.gz NEJLGLHDDUGSJZ-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000544463951 318187959 /nfs/dbraw/zinc/18/79/59/318187959.db2.gz FIFHPYHEHHUDRX-UHFFFAOYSA-N -1 0 326.312 2.449 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)CCCCC(=O)[O-] ZINC000548228080 318366426 /nfs/dbraw/zinc/36/64/26/318366426.db2.gz ANSPPYFVYSTBKZ-LLVKDONJSA-N -1 0 344.389 2.215 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000565281956 319168013 /nfs/dbraw/zinc/16/80/13/319168013.db2.gz DGEMTPIVFMUOTP-QMTHXVAHSA-N -1 0 329.312 2.182 20 5 EEBDRM CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@]12CCCO2 ZINC000566296797 319271469 /nfs/dbraw/zinc/27/14/69/319271469.db2.gz HDELZHJAFSDFOJ-IIAWOOMASA-N -1 0 336.344 2.432 20 5 EEBDRM Cc1cc(N2CCN(c3ccc(C(=O)[O-])s3)CC2)ncc1[N+](=O)[O-] ZINC000572004232 319806703 /nfs/dbraw/zinc/80/67/03/319806703.db2.gz CIKYWGMDNGAKMC-UHFFFAOYSA-N -1 0 348.384 2.385 20 5 EEBDRM CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000579359420 323835827 /nfs/dbraw/zinc/83/58/27/323835827.db2.gz MQHPVSOWZAAJGF-ZDUSSCGKSA-N -1 0 332.360 2.475 20 5 EEBDRM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000580649095 324104608 /nfs/dbraw/zinc/10/46/08/324104608.db2.gz NSVJIUGDLSWQKG-SNVBAGLBSA-N -1 0 329.312 2.476 20 5 EEBDRM CCC(CC)N(CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000582908042 324555137 /nfs/dbraw/zinc/55/51/37/324555137.db2.gz LMIXCHXFTYDBNR-UHFFFAOYSA-N -1 0 344.389 2.492 20 5 EEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000183902459 464924434 /nfs/dbraw/zinc/92/44/34/464924434.db2.gz KZEAZOLCSBTSGI-SNVBAGLBSA-N -1 0 333.344 2.030 20 5 EEBDRM O=C([O-])[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000328304838 465059678 /nfs/dbraw/zinc/05/96/78/465059678.db2.gz NMIDJYOMKWWSFT-MRXNPFEDSA-N -1 0 340.335 2.348 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)nc1 ZINC000339096656 465080823 /nfs/dbraw/zinc/08/08/23/465080823.db2.gz URWXWYWEIJCUBX-UHFFFAOYSA-N -1 0 345.283 2.392 20 5 EEBDRM CO[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnn(C)c1 ZINC000337003964 465143505 /nfs/dbraw/zinc/14/35/05/465143505.db2.gz WQPWOAVMVFXANO-LBPRGKRZSA-N -1 0 340.723 2.014 20 5 EEBDRM O=C(Nc1ccccc1OCCn1ccnc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000347699977 465177460 /nfs/dbraw/zinc/17/74/60/465177460.db2.gz IVTRWNKNSMHLAE-UHFFFAOYSA-N -1 0 341.327 2.451 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)Nc1ccccc1 ZINC000075137265 462685158 /nfs/dbraw/zinc/68/51/58/462685158.db2.gz PIOZDEIFAJOZIG-SNVBAGLBSA-N -1 0 329.312 2.057 20 5 EEBDRM Cc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000064873033 462725829 /nfs/dbraw/zinc/72/58/29/462725829.db2.gz IJCIKEVTXIEYST-AWEZNQCLSA-N -1 0 328.324 2.329 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013171143 462886461 /nfs/dbraw/zinc/88/64/61/462886461.db2.gz RQUBRQNIANTVLT-MNOVXSKESA-N -1 0 338.385 2.399 20 5 EEBDRM CC(C)(C(N)=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000155770257 462940980 /nfs/dbraw/zinc/94/09/80/462940980.db2.gz IHWVVTHFOICLKI-UHFFFAOYSA-N -1 0 343.339 2.316 20 5 EEBDRM O=C(CCNC(=O)C1CCCCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546065 462961091 /nfs/dbraw/zinc/96/10/91/462961091.db2.gz ZRGLASLNLYNPQK-UHFFFAOYSA-N -1 0 335.360 2.326 20 5 EEBDRM C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092548911 462962199 /nfs/dbraw/zinc/96/21/99/462962199.db2.gz XJFLITGZWBVCSY-JTQLQIEISA-N -1 0 335.360 2.324 20 5 EEBDRM O=C([O-])C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433598 463036969 /nfs/dbraw/zinc/03/69/69/463036969.db2.gz FVOSSBBPBJBULU-MRVPVSSYSA-N -1 0 344.165 2.443 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000055581233 463332648 /nfs/dbraw/zinc/33/26/48/463332648.db2.gz DRGMHMOUVBAPQX-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM CCOc1ncccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000055636050 463337670 /nfs/dbraw/zinc/33/76/70/463337670.db2.gz HBZMZNFVUMMUDJ-UHFFFAOYSA-N -1 0 337.357 2.498 20 5 EEBDRM COCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000032024736 463361030 /nfs/dbraw/zinc/36/10/30/463361030.db2.gz SFGKAMSKCGBNAQ-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000126590522 463649780 /nfs/dbraw/zinc/64/97/80/463649780.db2.gz NNZYRIKSFNQEJB-CYBMUJFWSA-N -1 0 349.387 2.069 20 5 EEBDRM C[C@H](Sc1n[nH]c(=O)[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000170085208 463674864 /nfs/dbraw/zinc/67/48/64/463674864.db2.gz IFABOYHYQLPJMU-LURJTMIESA-N -1 0 334.317 2.322 20 5 EEBDRM CCCC[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000184976592 463729084 /nfs/dbraw/zinc/72/90/84/463729084.db2.gz YTXAFLZVOVGIAO-LBPRGKRZSA-N -1 0 346.343 2.154 20 5 EEBDRM CC(C)(C)c1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])s1 ZINC000269171978 463897675 /nfs/dbraw/zinc/89/76/75/463897675.db2.gz YHXNFDISSCUPRU-UHFFFAOYSA-N -1 0 336.373 2.379 20 5 EEBDRM CC(C)CCc1nnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000194874698 463947904 /nfs/dbraw/zinc/94/79/04/463947904.db2.gz XBCUBRWHWSTAOO-UHFFFAOYSA-N -1 0 340.361 2.367 20 5 EEBDRM O=C([O-])C1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000263551729 464127570 /nfs/dbraw/zinc/12/75/70/464127570.db2.gz LHWODSFGRBWGOB-UHFFFAOYSA-N -1 0 341.192 2.165 20 5 EEBDRM CCN1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])sc2C1 ZINC000179397434 464128845 /nfs/dbraw/zinc/12/88/45/464128845.db2.gz KLDVSEKHADQOAX-UHFFFAOYSA-N -1 0 348.384 2.387 20 5 EEBDRM C[S@@](=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000179519270 464150381 /nfs/dbraw/zinc/15/03/81/464150381.db2.gz ZEETXLHBVMEKMA-LFPIHBKWSA-N -1 0 348.380 2.150 20 5 EEBDRM CCc1nn(C)c(NC[C@@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC000568986583 468419307 /nfs/dbraw/zinc/41/93/07/468419307.db2.gz DPTWPUHOYWDKRY-GFCCVEGCSA-N -1 0 332.360 2.246 20 5 EEBDRM O=C(N[C@H](CO)c1c(F)cccc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356799244 465547539 /nfs/dbraw/zinc/54/75/39/465547539.db2.gz YEHGSZXMDPRDPU-CYBMUJFWSA-N -1 0 338.266 2.042 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000337760630 465562805 /nfs/dbraw/zinc/56/28/05/465562805.db2.gz OSQDFFLCZQEEPH-UHFFFAOYSA-N -1 0 336.325 2.433 20 5 EEBDRM CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000330995100 465890727 /nfs/dbraw/zinc/89/07/27/465890727.db2.gz OGVLEXNNSJDWID-GFCCVEGCSA-N -1 0 346.380 2.217 20 5 EEBDRM O=C(NCc1nccn1-c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000357405585 466009323 /nfs/dbraw/zinc/00/93/23/466009323.db2.gz CVYSIAPXWAJERS-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM COc1ccc(COCCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000357977322 466360772 /nfs/dbraw/zinc/36/07/72/466360772.db2.gz ULLUNILDOOKJJL-UHFFFAOYSA-N -1 0 346.339 2.256 20 5 EEBDRM COC(=O)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000340953005 466463305 /nfs/dbraw/zinc/46/33/05/466463305.db2.gz QALFLRCAQKAKTD-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000324771990 466649663 /nfs/dbraw/zinc/64/96/63/466649663.db2.gz DWCOAYASNBDIHV-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM CN(Cc1cn2c(n1)CCCC2)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000365304995 466773222 /nfs/dbraw/zinc/77/32/22/466773222.db2.gz NDWYVBFAIMCTSR-UHFFFAOYSA-N -1 0 330.344 2.105 20 5 EEBDRM CN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000378420081 467297041 /nfs/dbraw/zinc/29/70/41/467297041.db2.gz FIJSHESIQHJUEG-LBPRGKRZSA-N -1 0 341.323 2.389 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCN1Cc1ccccn1 ZINC000378427588 467298993 /nfs/dbraw/zinc/29/89/93/467298993.db2.gz XXNPMPHFJWIETK-OAHLLOKOSA-N -1 0 342.355 2.299 20 5 EEBDRM CCCc1[nH]nc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])c1[N+](=O)[O-] ZINC000436501372 467541401 /nfs/dbraw/zinc/54/14/01/467541401.db2.gz CSOZUMZAGXBHEG-UHFFFAOYSA-N -1 0 348.315 2.015 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000458328436 467809755 /nfs/dbraw/zinc/80/97/55/467809755.db2.gz GRHSXMUVQIWSPZ-LSDHHAIUSA-N -1 0 334.372 2.314 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000493580735 467941469 /nfs/dbraw/zinc/94/14/69/467941469.db2.gz HOEDGKBJBHCXOV-FPLPWBNLSA-N -1 0 344.327 2.263 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@@H](CO)Cc2ccccc21 ZINC000590406266 468248264 /nfs/dbraw/zinc/24/82/64/468248264.db2.gz KVEKZTIWFSZCSS-NSHDSACASA-N -1 0 328.324 2.112 20 5 EEBDRM CC[C@@H]1CN(CCNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000567978092 468248611 /nfs/dbraw/zinc/24/86/11/468248611.db2.gz WUSNEFBMCJIVIQ-CYBMUJFWSA-N -1 0 337.376 2.124 20 5 EEBDRM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C)cc1[N+](=O)[O-] ZINC000594673215 468649090 /nfs/dbraw/zinc/64/90/90/468649090.db2.gz FREVUJNYLVZXGO-UHFFFAOYSA-N -1 0 344.389 2.025 20 5 EEBDRM CCCCO[C@@H](C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874717 468672984 /nfs/dbraw/zinc/67/29/84/468672984.db2.gz KIUYEFDMYPGYEP-ZBEGNZNMSA-N -1 0 338.360 2.216 20 5 EEBDRM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C)C(=O)OC(C)(C)C ZINC000597868989 468699403 /nfs/dbraw/zinc/69/94/03/468699403.db2.gz IVNFILYWCAFGOK-SNVBAGLBSA-N -1 0 338.360 2.493 20 5 EEBDRM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592776135 468782385 /nfs/dbraw/zinc/78/23/85/468782385.db2.gz KJKIEGSSRPEOHM-DTWKUNHWSA-N -1 0 328.752 2.499 20 5 EEBDRM Cc1cc(C[C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]n1 ZINC000584353438 468854245 /nfs/dbraw/zinc/85/42/45/468854245.db2.gz YTYBSANMFQQUJO-ZETCQYMHSA-N -1 0 338.751 2.346 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C)c1O ZINC000610513075 468990764 /nfs/dbraw/zinc/99/07/64/468990764.db2.gz BMERRGRXJDXPIQ-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593695911 469098160 /nfs/dbraw/zinc/09/81/60/469098160.db2.gz CXQYSEWVOCLNJG-GXTWGEPZSA-N -1 0 336.344 2.323 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](O)C1 ZINC000595979825 469105116 /nfs/dbraw/zinc/10/51/16/469105116.db2.gz VBVBAOFEJIZGOK-OIVXANJASA-N -1 0 334.250 2.250 20 5 EEBDRM O=C(NC[C@H]1OCCc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611556629 469278731 /nfs/dbraw/zinc/27/87/31/469278731.db2.gz XDYOWTDJCHUQKI-MRXNPFEDSA-N -1 0 328.324 2.344 20 5 EEBDRM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000618251866 469939921 /nfs/dbraw/zinc/93/99/21/469939921.db2.gz WSCSNCYQBJMAOL-LBPRGKRZSA-N -1 0 328.324 2.293 20 5 EEBDRM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187723302 490694020 /nfs/dbraw/zinc/69/40/20/490694020.db2.gz DLFHKAZKGMAUCQ-XMMPIXPASA-N -1 0 348.380 2.310 20 5 EEBDRM Cc1nc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000738360785 578010714 /nfs/dbraw/zinc/01/07/14/578010714.db2.gz MKRJFFVOFMCUMN-UHFFFAOYSA-N -1 0 325.277 2.449 20 5 EEBDRM Cc1noc2ncc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc12 ZINC000738955426 576201076 /nfs/dbraw/zinc/20/10/76/576201076.db2.gz PNAICJYEJVIBKM-UHFFFAOYSA-N -1 0 342.267 2.390 20 5 EEBDRM C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000737696204 576249759 /nfs/dbraw/zinc/24/97/59/576249759.db2.gz UITYFKZIAXYKPK-ISVAXAHUSA-N -1 0 335.291 2.361 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC000738069093 576364604 /nfs/dbraw/zinc/36/46/04/576364604.db2.gz WUBACMDGYJXOER-UHFFFAOYSA-N -1 0 345.311 2.038 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C)C1 ZINC000776510476 577461157 /nfs/dbraw/zinc/46/11/57/577461157.db2.gz HFXMFWWWNOGAQB-ONGXEEELSA-N -1 0 326.374 2.144 20 5 EEBDRM C[C@@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000753801701 577793962 /nfs/dbraw/zinc/79/39/62/577793962.db2.gz KYKASCSFQRTYIY-RAJVOEEQSA-N -1 0 342.348 2.285 20 5 EEBDRM O=C([O-])[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000739337852 578048965 /nfs/dbraw/zinc/04/89/65/578048965.db2.gz YJVAQKXNJSPYBJ-OAHLLOKOSA-N -1 0 349.270 2.482 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cc(F)ccc1F ZINC000739370986 578050745 /nfs/dbraw/zinc/05/07/45/578050745.db2.gz ZAUAICIONCKJJD-LLVKDONJSA-N -1 0 326.211 2.022 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000739525926 578056702 /nfs/dbraw/zinc/05/67/02/578056702.db2.gz FHEKPEACYLAIMU-LBPRGKRZSA-N -1 0 348.355 2.077 20 5 EEBDRM CC(C)(C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000736223289 578188203 /nfs/dbraw/zinc/18/82/03/578188203.db2.gz IKCMTCHGPSPITN-UHFFFAOYSA-N -1 0 345.311 2.310 20 5 EEBDRM CC(C)N1C[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000736474865 578206555 /nfs/dbraw/zinc/20/65/55/578206555.db2.gz PBFCNRUFNVSHIQ-FVOPLDGLSA-N -1 0 333.344 2.114 20 5 EEBDRM C[C@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])N1CCOCC1 ZINC000736606192 578214454 /nfs/dbraw/zinc/21/44/54/578214454.db2.gz AMSPFOHUQFRCGP-SECBINFHSA-N -1 0 343.767 2.079 20 5 EEBDRM C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000736674295 578217275 /nfs/dbraw/zinc/21/72/75/578217275.db2.gz XFMGXQJTMVZHRZ-VFQZCJPISA-N -1 0 349.387 2.214 20 5 EEBDRM C[C@H](O)C[C@H](C)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736679004 578217728 /nfs/dbraw/zinc/21/77/28/578217728.db2.gz YKVNGWBQDJPHCJ-YUMQZZPRSA-N -1 0 327.293 2.020 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000821510552 597349388 /nfs/dbraw/zinc/34/93/88/597349388.db2.gz IVDGZVWKVJDNOO-SSDOTTSWSA-N -1 0 332.234 2.160 20 5 EEBDRM O=C([O-])C1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000821510707 597708428 /nfs/dbraw/zinc/70/84/28/597708428.db2.gz KXMKIWITZWEVPB-UHFFFAOYSA-N -1 0 344.270 2.133 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1COC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000833026102 600726154 /nfs/dbraw/zinc/72/61/54/600726154.db2.gz VUPFDRCOIXDSRX-UHFFFAOYSA-N -1 0 348.311 2.374 20 5 EEBDRM C[C@@H](O)CC(C)(C)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000827790489 600816220 /nfs/dbraw/zinc/81/62/20/600816220.db2.gz QGXZLCBGPDJTNX-MRVPVSSYSA-N -1 0 341.320 2.410 20 5 EEBDRM Cc1oc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1C(=O)[O-] ZINC000832900822 601215420 /nfs/dbraw/zinc/21/54/20/601215420.db2.gz OJMXYQIKDVPKEC-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM C/C(=C/COC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000825787021 601419867 /nfs/dbraw/zinc/41/98/67/601419867.db2.gz TXKARQKHAYRETG-YFHOEESVSA-N -1 0 345.311 2.183 20 5 EEBDRM Cc1nc2ncnn2c(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1C ZINC000833007258 601445019 /nfs/dbraw/zinc/44/50/19/601445019.db2.gz NHDVWQGRWDUGGB-UHFFFAOYSA-N -1 0 329.272 2.140 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC000832957865 601514658 /nfs/dbraw/zinc/51/46/58/601514658.db2.gz OQQOMEQESLDONG-UHFFFAOYSA-N -1 0 343.339 2.415 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCCO[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000833196730 601680261 /nfs/dbraw/zinc/68/02/61/601680261.db2.gz CTLJKFWVUNKYCT-MASHWEEQSA-N -1 0 336.344 2.300 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000827908733 601713141 /nfs/dbraw/zinc/71/31/41/601713141.db2.gz MZAIDANZJUBDKM-OUJBWJOFSA-N -1 0 338.385 2.255 20 5 EEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(C(=O)[O-])c1 ZINC000820637677 601934014 /nfs/dbraw/zinc/93/40/14/601934014.db2.gz ROBWJRJSYJACIH-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NC[C@H](O)c2cccnc2)c([N+](=O)[O-])c1 ZINC000833197552 604465351 /nfs/dbraw/zinc/46/53/51/604465351.db2.gz REMMTABMLWLDTA-DRDHIDPGSA-N -1 0 329.312 2.233 20 5 EEBDRM CC(C)(C)c1nc(NC(=O)c2n[nH]cc2[N+](=O)[O-])sc1C(=O)[O-] ZINC000833451166 605052136 /nfs/dbraw/zinc/05/21/36/605052136.db2.gz SFNIBHRJZYOKSD-UHFFFAOYSA-N -1 0 339.333 2.022 20 5 EEBDRM CC(=O)N1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000833393077 605062057 /nfs/dbraw/zinc/06/20/57/605062057.db2.gz GUBFBKIUDXCRHM-WKOQSISJSA-N -1 0 347.371 2.361 20 5 EEBDRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000833383898 605351550 /nfs/dbraw/zinc/35/15/50/605351550.db2.gz VQVQYSRXLINORU-OFAQMXQXSA-N -1 0 341.323 2.335 20 5 EEBDRM C/C(=C\C(=O)N[C@]1(C(=O)[O-])CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000833383591 605366451 /nfs/dbraw/zinc/36/64/51/605366451.db2.gz VBNHDNWNXPCEFM-TUPIDYKKSA-N -1 0 336.369 2.075 20 5 EEBDRM O=C(N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1)c1ncccc1O ZINC001059201213 683200418 /nfs/dbraw/zinc/20/04/18/683200418.db2.gz VTHPQUBFXFJVMG-XYPYZODXSA-N -1 0 328.328 2.068 20 5 EEBDRM O=C(Cn1ccc([N+](=O)[O-])n1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000153187339 683804891 /nfs/dbraw/zinc/80/48/91/683804891.db2.gz MJKSLFHAORHTEA-UHFFFAOYSA-N -1 0 344.249 2.058 20 5 EEBDRM O=C([N-]OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000122752577 683886821 /nfs/dbraw/zinc/88/68/21/683886821.db2.gz YYLSKMPFNVSIRK-UHFFFAOYSA-N -1 0 349.730 2.435 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000263360632 689745942 /nfs/dbraw/zinc/74/59/42/689745942.db2.gz YHUAHDIASPVDQV-MRXNPFEDSA-N -1 0 331.328 2.403 20 5 EEBDRM CCSCCC(=O)N(C)CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001109375660 1199058569 /nfs/dbraw/zinc/05/85/69/1199058569.db2.gz GWMMJWRHPWMIEC-UHFFFAOYSA-N -1 0 342.421 2.099 20 5 EEBDRM Cn1nc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1C1CC1 ZINC000811714933 1200242138 /nfs/dbraw/zinc/24/21/38/1200242138.db2.gz QQBHTADJBUSYAD-UHFFFAOYSA-N -1 0 328.375 2.068 20 5 EEBDRM O=C(NC[C@H]1COC2(CCCCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779679235 1210751102 /nfs/dbraw/zinc/75/11/02/1210751102.db2.gz XOVGZACHHLAHRS-LBPRGKRZSA-N -1 0 336.344 2.106 20 5 EEBDRM C[C@](O)(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000119393864 1229503615 /nfs/dbraw/zinc/50/36/15/1229503615.db2.gz QVRKITMKYIYJRM-INIZCTEOSA-N -1 0 334.303 2.077 20 5 EEBDRM COC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000119912641 1229628700 /nfs/dbraw/zinc/62/87/00/1229628700.db2.gz IRNMRMKFAKBESU-SNVBAGLBSA-N -1 0 346.386 2.224 20 5 EEBDRM C[C@@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850887804 1277381780 /nfs/dbraw/zinc/38/17/80/1277381780.db2.gz BQJWMGWEBXDQAN-YIXGCBLDSA-N -1 0 342.348 2.285 20 5 EEBDRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850889221 1277383117 /nfs/dbraw/zinc/38/31/17/1277383117.db2.gz VFQIWOUWWLZKOB-VQHVLOKHSA-N -1 0 330.337 2.285 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc1F ZINC000867272864 1285193979 /nfs/dbraw/zinc/19/39/79/1285193979.db2.gz OYJBGWUMNSGIQB-ZCFIWIBFSA-N -1 0 330.259 2.271 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CCC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001226022067 1301235907 /nfs/dbraw/zinc/23/59/07/1301235907.db2.gz XBHONJBYVGJRFU-LPEHRKFASA-N -1 0 339.348 2.471 20 5 EEBDRM O=c1c([O-])c(O[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])c1=O ZINC001226605653 1301477198 /nfs/dbraw/zinc/47/71/98/1301477198.db2.gz JNCVRTPLNZCVEI-MRXNPFEDSA-N -1 0 325.276 2.065 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001226651811 1301494915 /nfs/dbraw/zinc/49/49/15/1301494915.db2.gz IYOSLBXHZAZCCW-HRDYMLBCSA-N -1 0 325.321 2.081 20 5 EEBDRM CCC[C@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)C(=O)OCC ZINC001227094500 1301683899 /nfs/dbraw/zinc/68/38/99/1301683899.db2.gz DCDKILYFSBKWDZ-LBPRGKRZSA-N -1 0 335.316 2.354 20 5 EEBDRM CO[C@H](C)CO[C@H](C)COc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228244952 1302174072 /nfs/dbraw/zinc/17/40/72/1302174072.db2.gz MORJTSIMQGXQCJ-NXEZZACHSA-N -1 0 337.332 2.062 20 5 EEBDRM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780495893 1303672962 /nfs/dbraw/zinc/67/29/62/1303672962.db2.gz CHOROXGEZCKCDM-UHFFFAOYSA-N -1 0 347.283 2.017 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](F)C(C)C)cc([N+](=O)[O-])c1C ZINC000784482481 1304487740 /nfs/dbraw/zinc/48/77/40/1304487740.db2.gz QIPUJPZHZMLDKN-LBPRGKRZSA-N -1 0 332.353 2.011 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)cc([N+](=O)[O-])c1 ZINC000835746487 1314945528 /nfs/dbraw/zinc/94/55/28/1314945528.db2.gz NDBWTXKPXOAOMC-UHIISALHSA-N -1 0 338.385 2.151 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)CCCC2CC2)cccc1[N+](=O)[O-] ZINC000842404452 1315698503 /nfs/dbraw/zinc/69/85/03/1315698503.db2.gz UJJPXGAGANUJDQ-UHFFFAOYSA-N -1 0 340.401 2.430 20 5 EEBDRM Cn1c2ccc(S(C)(=O)=O)cc2nc1-c1cc([N+](=O)[O-])ccc1[O-] ZINC001251046765 1317407543 /nfs/dbraw/zinc/40/75/43/1317407543.db2.gz ZQMIZDPVMKJKHE-UHFFFAOYSA-N -1 0 347.352 2.258 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001601227269 1350236511 /nfs/dbraw/zinc/23/65/11/1350236511.db2.gz NZTHDQDZGDUYLM-WFTWPBCJSA-N -1 0 330.340 2.164 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001601288869 1350249808 /nfs/dbraw/zinc/24/98/08/1350249808.db2.gz BVYJSLDHDVRWOR-PWSUYJOCSA-N -1 0 326.736 2.160 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC001601821574 1350372378 /nfs/dbraw/zinc/37/23/78/1350372378.db2.gz YDBZYIPCGGHSAS-GZBFAFLISA-N -1 0 332.356 2.239 20 5 EEBDRM Cc1cc(OCC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)ccc1[N+](=O)[O-] ZINC001607700613 1351542041 /nfs/dbraw/zinc/54/20/41/1351542041.db2.gz FGHFPANZVNAVAU-ZDUSSCGKSA-N -1 0 338.360 2.288 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001608038013 1351611850 /nfs/dbraw/zinc/61/18/50/1351611850.db2.gz RQLMORUYFLJQMI-UHFFFAOYSA-N -1 0 349.251 2.280 20 5 EEBDRM C[C@H](NS(=O)(=O)c1cc([O-])cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC001309819064 1331642800 /nfs/dbraw/zinc/64/28/00/1331642800.db2.gz OWEIFPGTRCWLSU-VIFPVBQESA-N -1 0 340.332 2.479 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2ccnn2C2CCC2)cc([N+](=O)[O-])c1 ZINC001608856165 1351779788 /nfs/dbraw/zinc/77/97/88/1351779788.db2.gz PVQKNVSGSVSSOB-UHFFFAOYSA-N -1 0 330.300 2.467 20 5 EEBDRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]1 ZINC001608871759 1351783043 /nfs/dbraw/zinc/78/30/43/1351783043.db2.gz NXGCAQURTVGTEP-UHFFFAOYSA-N -1 0 329.312 2.426 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(c3ccc(F)cn3)CC2)c1 ZINC001608914626 1351793103 /nfs/dbraw/zinc/79/31/03/1351793103.db2.gz BDUOZKHFNHNLPH-UHFFFAOYSA-N -1 0 346.318 2.154 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Cn2nnc(-c3ccc(F)cc3)n2)c1 ZINC001608914876 1351793324 /nfs/dbraw/zinc/79/33/24/1351793324.db2.gz OGCFWMGMJLVAGC-UHFFFAOYSA-N -1 0 343.274 2.134 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ncn(-c3ccccc3)n2)c1 ZINC001608915721 1351793374 /nfs/dbraw/zinc/79/33/74/1351793374.db2.gz NANWOGVXUCEDTE-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(c3ccnc(F)c3)CC2)c1 ZINC001608914829 1351793394 /nfs/dbraw/zinc/79/33/94/1351793394.db2.gz MCKIZKYAXAIGFH-UHFFFAOYSA-N -1 0 346.318 2.154 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC001608914831 1351793542 /nfs/dbraw/zinc/79/35/42/1351793542.db2.gz MDOVTBKVABGPMV-ZDUSSCGKSA-N -1 0 347.371 2.036 20 5 EEBDRM O=C([O-])c1cnc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC001608968720 1351804247 /nfs/dbraw/zinc/80/42/47/1351804247.db2.gz AXCWRMWKLDEPAP-JTQLQIEISA-N -1 0 347.352 2.379 20 5 EEBDRM C[C@H](CO)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001321853786 1333168498 /nfs/dbraw/zinc/16/84/98/1333168498.db2.gz DNEFQRSUFCMKMQ-GFCCVEGCSA-N -1 0 330.340 2.324 20 5 EEBDRM CC(C)(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001609647632 1352049745 /nfs/dbraw/zinc/04/97/45/1352049745.db2.gz AWRZEHXFUJGSME-SNVBAGLBSA-N -1 0 348.277 2.394 20 5 EEBDRM C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC001609768600 1352080538 /nfs/dbraw/zinc/08/05/38/1352080538.db2.gz JMDYBGRQRGXKDP-JTQLQIEISA-N -1 0 344.327 2.500 20 5 EEBDRM C[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001609848120 1352100432 /nfs/dbraw/zinc/10/04/32/1352100432.db2.gz SETVLKUMCGJTMR-ZJUUUORDSA-N -1 0 342.373 2.008 20 5 EEBDRM CCC(C)(C)CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001609892703 1352112615 /nfs/dbraw/zinc/11/26/15/1352112615.db2.gz CKEINJGUADOEAN-UHFFFAOYSA-N -1 0 330.362 2.008 20 5 EEBDRM CC[C@H](C)C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001609903123 1352115703 /nfs/dbraw/zinc/11/57/03/1352115703.db2.gz BTKMHPIMDADFIP-ISVAXAHUSA-N -1 0 344.314 2.421 20 5 EEBDRM CC[C@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC001609948404 1352127161 /nfs/dbraw/zinc/12/71/61/1352127161.db2.gz QPZNDYOUCPGHGC-YPMHNXCESA-N -1 0 338.360 2.058 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001610348055 1352209144 /nfs/dbraw/zinc/20/91/44/1352209144.db2.gz QDPXMZNFJGHKCB-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM Cc1cccc2[nH]c(CNc3nc(C(=O)[O-])ccc3[N+](=O)[O-])nc21 ZINC001610526269 1352239023 /nfs/dbraw/zinc/23/90/23/1352239023.db2.gz JKECSDVEPRJYAB-UHFFFAOYSA-N -1 0 327.300 2.485 20 5 EEBDRM O=C([O-])/C=C\c1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC001610752797 1352269151 /nfs/dbraw/zinc/26/91/51/1352269151.db2.gz YCALZYDBEDFBNR-TWGQIWQCSA-N -1 0 349.320 2.460 20 5 EEBDRM O=C([O-])Cc1ccc(NCCC(=O)N2CCCCCC2)c([N+](=O)[O-])c1 ZINC001610792445 1352275349 /nfs/dbraw/zinc/27/53/49/1352275349.db2.gz JAUWXBZDQYVNMO-UHFFFAOYSA-N -1 0 349.387 2.427 20 5 EEBDRM O=[N+]([O-])c1cn(C[C@@H]2CCCc3ccccc32)nc1-c1nnn[n-]1 ZINC001593486783 1349814937 /nfs/dbraw/zinc/81/49/37/1349814937.db2.gz LWFKFQPBIXJROA-NSHDSACASA-N -1 0 325.332 2.092 20 5 EEBDRM O=[N+]([O-])c1cn(CC[C@H]2CCc3ccccc32)nc1-c1nnn[n-]1 ZINC001593487104 1349816275 /nfs/dbraw/zinc/81/62/75/1349816275.db2.gz UBCQOQHMQPAVGV-LLVKDONJSA-N -1 0 325.332 2.092 20 5 EEBDRM Cc1c(CC(=O)N[C@H](C(=O)[O-])c2cccs2)cccc1[N+](=O)[O-] ZINC001600011044 1349954986 /nfs/dbraw/zinc/95/49/86/1349954986.db2.gz KMISJUWNCRIPQT-AWEZNQCLSA-N -1 0 334.353 2.449 20 5 EEBDRM Cc1cc(C)n([C@H](C)C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC001600176996 1349985988 /nfs/dbraw/zinc/98/59/88/1349985988.db2.gz CBFWDBKZMGTDBG-LLVKDONJSA-N -1 0 347.327 2.411 20 5 EEBDRM Cc1nn(C)c(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1C(=O)[O-] ZINC001600773416 1350132812 /nfs/dbraw/zinc/13/28/12/1350132812.db2.gz SJEJLMXUSHXVQT-NWDGAFQWSA-N -1 0 344.327 2.077 20 5 EEBDRM Cc1nn(CC(=O)c2ccc(C(=O)[O-])o2)c2ccc([N+](=O)[O-])cc12 ZINC001600782507 1350135316 /nfs/dbraw/zinc/13/53/16/1350135316.db2.gz VAWOSRHOGVCYGX-UHFFFAOYSA-N -1 0 329.268 2.427 20 5 EEBDRM NC(=O)c1ccnc(Oc2ccc(C(=O)[O-])cc2Cl)c1[N+](=O)[O-] ZINC001601171055 1350224978 /nfs/dbraw/zinc/22/49/78/1350224978.db2.gz KHEUWQSPAMYOFF-UHFFFAOYSA-N -1 0 337.675 2.233 20 5 EEBDRM O=C(/C=C/C1CCOCC1)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001601233400 1350237957 /nfs/dbraw/zinc/23/79/57/1350237957.db2.gz RCVKPYIRTKEMEO-DAFODLJHSA-N -1 0 335.312 2.319 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)CC2 ZINC001601772803 1350361308 /nfs/dbraw/zinc/36/13/08/1350361308.db2.gz YHNIOVLPHOYSRP-AWEZNQCLSA-N -1 0 347.371 2.034 20 5 EEBDRM O=C([O-])C1CC2(C1)C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)CCO2 ZINC001601788563 1350364718 /nfs/dbraw/zinc/36/47/18/1350364718.db2.gz NYGQBUBVMZIGDE-ZYTOWTHASA-N -1 0 341.751 2.468 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC001601805908 1350368619 /nfs/dbraw/zinc/36/86/19/1350368619.db2.gz UXTVNGKNDMNNDT-UWVGGRQHSA-N -1 0 332.316 2.322 20 5 EEBDRM O=C([O-])CCCCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001601982232 1350410336 /nfs/dbraw/zinc/41/03/36/1350410336.db2.gz KIUPMMNYHVKRLL-UHFFFAOYSA-N -1 0 333.344 2.380 20 5 EEBDRM O=C([O-])CCCCCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001601983553 1350410701 /nfs/dbraw/zinc/41/07/01/1350410701.db2.gz BBURDXZKJGSSND-UHFFFAOYSA-N -1 0 326.324 2.428 20 5 EEBDRM O=C([O-])CCCNC(=S)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001601991871 1350412797 /nfs/dbraw/zinc/41/27/97/1350412797.db2.gz AZBZAUHDGLDHCT-UHFFFAOYSA-N -1 0 337.401 2.299 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)C1 ZINC001602030705 1350422207 /nfs/dbraw/zinc/42/22/07/1350422207.db2.gz AXNAIXPYSIZYAU-SECBINFHSA-N -1 0 342.348 2.346 20 5 EEBDRM O=C([O-])CN(CCc1ccccc1)c1nc2sccn2c1[N+](=O)[O-] ZINC001602057005 1350429023 /nfs/dbraw/zinc/42/90/23/1350429023.db2.gz VJDAQYICAJCMMN-UHFFFAOYSA-N -1 0 346.368 2.438 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@@H]2CN(c3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC001602126392 1350445398 /nfs/dbraw/zinc/44/53/98/1350445398.db2.gz BWKMESVPEXIVIM-CQSZACIVSA-N -1 0 341.323 2.049 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC001602204709 1350464913 /nfs/dbraw/zinc/46/49/13/1350464913.db2.gz OJVJULQKZIZXPB-IAZYJMLFSA-N -1 0 341.161 2.120 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC001602405470 1350511940 /nfs/dbraw/zinc/51/19/40/1350511940.db2.gz XMMIRZRYQHNGRN-ZDUSSCGKSA-N -1 0 347.371 2.496 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC[C@H]2CCC[C@@]3(CCOC3)O2)c1 ZINC001602407281 1350512546 /nfs/dbraw/zinc/51/25/46/1350512546.db2.gz CUDMRZLCQHGPGD-WBMJQRKESA-N -1 0 337.328 2.400 20 5 EEBDRM O=C([O-])c1ccnc(NCC[C@H](NC2CC2)C(F)(F)F)c1[N+](=O)[O-] ZINC001602483906 1350529633 /nfs/dbraw/zinc/52/96/33/1350529633.db2.gz VKZLSRVILPCRCA-VIFPVBQESA-N -1 0 348.281 2.173 20 5 EEBDRM O=C([O-])c1ccoc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001602486173 1350530224 /nfs/dbraw/zinc/53/02/24/1350530224.db2.gz TUHNOHOFDYHVHX-UHFFFAOYSA-N -1 0 331.328 2.208 20 5 EEBDRM O=C([O-])c1cnc(CN2CC(Oc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC001602518922 1350536702 /nfs/dbraw/zinc/53/67/02/1350536702.db2.gz LJLWKJGFIHVHRP-UHFFFAOYSA-N -1 0 335.341 2.013 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C2 ZINC001602622736 1350560053 /nfs/dbraw/zinc/56/00/53/1350560053.db2.gz KQMZDGOREOASIT-AYVTZFPOSA-N -1 0 340.282 2.200 20 5 EEBDRM C[C@@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC001603163705 1350653935 /nfs/dbraw/zinc/65/39/35/1350653935.db2.gz BSYBHEVGMMVGDG-MWLCHTKSSA-N -1 0 338.335 2.455 20 5 EEBDRM CCC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)C1 ZINC001604152108 1350875190 /nfs/dbraw/zinc/87/51/90/1350875190.db2.gz HZRAYZSAEIYJNT-SNVBAGLBSA-N -1 0 331.380 2.374 20 5 EEBDRM C[C@H](OCc1ccncc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001604425032 1350935064 /nfs/dbraw/zinc/93/50/64/1350935064.db2.gz AGMLTGPCORXYBB-JTQLQIEISA-N -1 0 345.311 2.232 20 5 EEBDRM C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)C(=O)[O-] ZINC001604457614 1350941680 /nfs/dbraw/zinc/94/16/80/1350941680.db2.gz NQOHFOFZLVKZPQ-VIFPVBQESA-N -1 0 342.376 2.221 20 5 EEBDRM CC[C@](COC)(NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-] ZINC001605050097 1351066850 /nfs/dbraw/zinc/06/68/50/1351066850.db2.gz QTDWJENONHEGMV-CQSZACIVSA-N -1 0 344.751 2.166 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001605062334 1351069678 /nfs/dbraw/zinc/06/96/78/1351069678.db2.gz YMWWQIZGRWBVMQ-MLGOLLRUSA-N -1 0 338.335 2.189 20 5 EEBDRM COc1ccc(NC(=O)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])c1 ZINC001605297015 1351128184 /nfs/dbraw/zinc/12/81/84/1351128184.db2.gz KJMPFOZTERJBQI-UHFFFAOYSA-N -1 0 340.299 2.036 20 5 EEBDRM CCCN(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)c1cccc([N+](=O)[O-])c1 ZINC001605300128 1351129636 /nfs/dbraw/zinc/12/96/36/1351129636.db2.gz SFWIPNUPTYZRNB-LERXQTSPSA-N -1 0 336.344 2.216 20 5 EEBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001606139697 1351278270 /nfs/dbraw/zinc/27/82/70/1351278270.db2.gz MYUXNEMREUBPRT-UHFFFAOYSA-N -1 0 337.376 2.280 20 5 EEBDRM CO[C@]1(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC001606717873 1351345932 /nfs/dbraw/zinc/34/59/32/1351345932.db2.gz XAPWYJJHAMHHEX-ZDUSSCGKSA-N -1 0 330.724 2.164 20 5 EEBDRM COC[C@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H]1CCCOC1 ZINC001606819637 1351360630 /nfs/dbraw/zinc/36/06/30/1351360630.db2.gz UYNALNKFLYLWCN-RISCZKNCSA-N -1 0 338.360 2.455 20 5 EEBDRM O=[N+]([O-])c1cn(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)nc1-c1nnn[n-]1 ZINC001607087058 1351412719 /nfs/dbraw/zinc/41/27/19/1351412719.db2.gz ZGQKXIQSGBNOJU-MWLCHTKSSA-N -1 0 347.285 2.020 20 5 EEBDRM COc1cc(CN2CC(F)(F)C[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607157066 1351439820 /nfs/dbraw/zinc/43/98/20/1351439820.db2.gz GRIWUGQRFJDKKG-JTQLQIEISA-N -1 0 334.250 2.037 20 5 EEBDRM Cc1cc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)ccc1[N+](=O)[O-] ZINC001607574525 1351518407 /nfs/dbraw/zinc/51/84/07/1351518407.db2.gz ATNIIKZBVUVKJX-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H]2c2ncccn2)n1 ZINC001607589482 1351520712 /nfs/dbraw/zinc/52/07/12/1351520712.db2.gz YJZIZRDNMYRJLE-NSHDSACASA-N -1 0 329.316 2.128 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)Nc2ccccc2C(=O)[O-])n1 ZINC001607620793 1351526521 /nfs/dbraw/zinc/52/65/21/1351526521.db2.gz GVGNECKBQWGAET-UHFFFAOYSA-N -1 0 345.311 2.322 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1/C=C(\CN1CCC(=O)CC1)C(=O)[O-] ZINC001607825417 1351565984 /nfs/dbraw/zinc/56/59/84/1351565984.db2.gz XWTOXGXFDLMCDU-UKTHLTGXSA-N -1 0 332.356 2.345 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(=O)n1CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001607824702 1351566038 /nfs/dbraw/zinc/56/60/38/1351566038.db2.gz APYBWWFKICFWML-UITAMQMPSA-N -1 0 344.323 2.242 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)n1 ZINC001608122763 1351629539 /nfs/dbraw/zinc/62/95/39/1351629539.db2.gz REIIBWJJEKGAHP-UHFFFAOYSA-N -1 0 346.324 2.494 20 5 EEBDRM Cn1nc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2c1CCCC2 ZINC001608140971 1351633322 /nfs/dbraw/zinc/63/33/22/1351633322.db2.gz KUXFWTLQIWQCPT-UHFFFAOYSA-N -1 0 344.327 2.158 20 5 EEBDRM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001608363661 1351679408 /nfs/dbraw/zinc/67/94/08/1351679408.db2.gz VFYMLAQBHJQCOD-HNNXBMFYSA-N -1 0 346.314 2.089 20 5 EEBDRM O=C([O-])c1cccc(CC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001608366357 1351680115 /nfs/dbraw/zinc/68/01/15/1351680115.db2.gz NTBNCFKONANVPW-UHFFFAOYSA-N -1 0 343.291 2.262 20 5 EEBDRM CON(C)C(=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000781088026 1371187761 /nfs/dbraw/zinc/18/77/61/1371187761.db2.gz KLIJHURLGFLIMJ-UHFFFAOYSA-N -1 0 345.311 2.186 20 5 EEBDRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835174155 1372598888 /nfs/dbraw/zinc/59/88/88/1372598888.db2.gz WXPNAXKNJHWSNT-LLVKDONJSA-N -1 0 328.390 2.029 20 5 EEBDRM O=C(COC(=O)c1ccc([N+](=O)[O-])[n-]1)N[C@H]1CCCc2ccccc21 ZINC000920130041 770590623 /nfs/dbraw/zinc/59/06/23/770590623.db2.gz GDKVVASIOHCOLJ-ZDUSSCGKSA-N -1 0 343.339 2.274 20 5 EEBDRM Cn1ccnc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000844216219 788935855 /nfs/dbraw/zinc/93/58/55/788935855.db2.gz XBVVZBLONNWFNF-LLVKDONJSA-N -1 0 330.344 2.411 20 5 EEBDRM CCCCCC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151470199 788978417 /nfs/dbraw/zinc/97/84/17/788978417.db2.gz VCMDJOPUIVSHHK-UHFFFAOYSA-N -1 0 328.390 2.164 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)C2CC2)cc([N+](=O)[O-])c1C ZINC000176513785 795211078 /nfs/dbraw/zinc/21/10/78/795211078.db2.gz CKPNCFPRSLHDSP-JTQLQIEISA-N -1 0 326.374 2.063 20 5 EEBDRM Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001116616137 795600811 /nfs/dbraw/zinc/60/08/11/795600811.db2.gz YJVAAPOCYJDIGW-UHFFFAOYSA-N -1 0 344.418 2.488 20 5 EEBDRM O=C1OCc2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc21 ZINC000917716664 798326437 /nfs/dbraw/zinc/32/64/37/798326437.db2.gz NQXFPAJMAPZPSW-UHFFFAOYSA-N -1 0 334.309 2.066 20 5 EEBDRM O=[N+]([O-])c1ccn(C2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000787288888 807068814 /nfs/dbraw/zinc/06/88/14/807068814.db2.gz PEFCRFVYSMMYSX-UHFFFAOYSA-N -1 0 347.331 2.242 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000428046586 939148029 /nfs/dbraw/zinc/14/80/29/939148029.db2.gz GAWWGBISUVDJTD-MRXNPFEDSA-N -1 0 344.323 2.306 20 5 EEBDRM O=C([O-])Cc1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC001595137614 952064061 /nfs/dbraw/zinc/06/40/61/952064061.db2.gz FASFSMXHGNFBGY-UHFFFAOYSA-N -1 0 328.078 2.034 20 5 EEBDRM O=C([O-])[C@@]12COC[C@@H]1CN(c1c(Cl)cc([N+](=O)[O-])cc1Cl)C2 ZINC001595192028 952284925 /nfs/dbraw/zinc/28/49/25/952284925.db2.gz AGJVXQHDAWFSSV-CPFSXVBKSA-N -1 0 347.154 2.439 20 5 EEBDRM O=C([O-])C1(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCSCC1 ZINC001594870147 954344782 /nfs/dbraw/zinc/34/47/82/954344782.db2.gz WIWSPXORFVONCV-UHFFFAOYSA-N -1 0 328.321 2.270 20 5 EEBDRM Cn1c2ccccc2c(NCC2(C(=O)[O-])CCC2)c([N+](=O)[O-])c1=O ZINC001594517467 955423963 /nfs/dbraw/zinc/42/39/63/955423963.db2.gz YVFYSKVFMLGCLL-UHFFFAOYSA-N -1 0 331.328 2.114 20 5 EEBDRM Nc1c(C(=O)NCCCCC(=O)[O-])cc2ccccc2c1[N+](=O)[O-] ZINC001594658815 956512325 /nfs/dbraw/zinc/51/23/25/956512325.db2.gz AOHLSRVKMINRJB-UHFFFAOYSA-N -1 0 331.328 2.315 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001594716402 956933748 /nfs/dbraw/zinc/93/37/48/956933748.db2.gz SMKVVZBBUYYWDD-ZDUSSCGKSA-N -1 0 336.250 2.429 20 5 EEBDRM C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588561151 959098032 /nfs/dbraw/zinc/09/80/32/959098032.db2.gz PVXUXGUQQXTTQY-QWHCGFSZSA-N -1 0 349.387 2.499 20 5 EEBDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001588641014 959693193 /nfs/dbraw/zinc/69/31/93/959693193.db2.gz UFKXGEUADYMPRM-GFCCVEGCSA-N -1 0 341.291 2.207 20 5 EEBDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001574282129 960652124 /nfs/dbraw/zinc/65/21/24/960652124.db2.gz NZTWDQYPJJDYPY-CLAHSXSESA-N -1 0 326.736 2.018 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574321558 960824517 /nfs/dbraw/zinc/82/45/17/960824517.db2.gz AMBCVFIJEZCDAX-NWDGAFQWSA-N -1 0 336.344 2.420 20 5 EEBDRM CN(C)c1ccc(COC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC001573997586 961852625 /nfs/dbraw/zinc/85/26/25/961852625.db2.gz XFXWYHNVEGBKSL-CYBMUJFWSA-N -1 0 338.360 2.451 20 5 EEBDRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001574546441 961948698 /nfs/dbraw/zinc/94/86/98/961948698.db2.gz AAYDUEVZJAXLFW-ZDUSSCGKSA-N -1 0 349.730 2.069 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCC1 ZINC001574562524 962018905 /nfs/dbraw/zinc/01/89/05/962018905.db2.gz NWIPVLJRIJWHRU-UHFFFAOYSA-N -1 0 330.699 2.372 20 5 EEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001588920617 962370434 /nfs/dbraw/zinc/37/04/34/962370434.db2.gz PGWGZBYAYDDNEC-BETUJISGSA-N -1 0 335.360 2.378 20 5 EEBDRM Cc1ccc(CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001605273374 973061056 /nfs/dbraw/zinc/06/10/56/973061056.db2.gz GJTQRGVDWGRNFV-CYBMUJFWSA-N -1 0 335.360 2.300 20 5 EEBDRM O=C([O-])C1(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC001605708549 974134893 /nfs/dbraw/zinc/13/48/93/974134893.db2.gz GANJGBLYHPXDCC-UHFFFAOYSA-N -1 0 326.736 2.162 20 5 EEBDRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001592220148 977391844 /nfs/dbraw/zinc/39/18/44/977391844.db2.gz WQGPQHAXAPADAO-HKQQGCEUSA-N -1 0 347.352 2.477 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000828628297 978986244 /nfs/dbraw/zinc/98/62/44/978986244.db2.gz JKXZPICAURTDOK-CQSZACIVSA-N -1 0 326.374 2.447 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)COc1cc(C=O)ccc1[N+](=O)[O-] ZINC001599960322 985768560 /nfs/dbraw/zinc/76/85/60/985768560.db2.gz JBXZMZIPAIYSRV-UHFFFAOYSA-N -1 0 332.268 2.004 20 5 EEBDRM CC(=O)c1ccc(N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001589289864 986022395 /nfs/dbraw/zinc/02/23/95/986022395.db2.gz DLJBEHFTLQIFEZ-RISCZKNCSA-N -1 0 336.344 2.479 20 5 EEBDRM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001589378263 986441864 /nfs/dbraw/zinc/44/18/64/986441864.db2.gz GQBMTHJAFPFKTJ-APPDUMDISA-N -1 0 343.339 2.210 20 5 EEBDRM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ocnc1C(=O)[O-] ZINC001594621177 986659857 /nfs/dbraw/zinc/65/98/57/986659857.db2.gz SXCIQBJMAFSABG-VIFPVBQESA-N -1 0 345.311 2.191 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001597400237 987661366 /nfs/dbraw/zinc/66/13/66/987661366.db2.gz WXFVBNFGFZUQKZ-QMMMGPOBSA-N -1 0 332.316 2.321 20 5 EEBDRM CCn1nc(C)c(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1C ZINC001597934004 989902521 /nfs/dbraw/zinc/90/25/21/989902521.db2.gz JAEYNBFGHBMPDJ-UHFFFAOYSA-N -1 0 333.300 2.345 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CC(CC(=O)[O-])C1 ZINC001598501984 992446509 /nfs/dbraw/zinc/44/65/09/992446509.db2.gz JGCCERSDAGXUIW-UHFFFAOYSA-N -1 0 335.360 2.032 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NCc2cccs2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169723 994022287 /nfs/dbraw/zinc/02/22/87/994022287.db2.gz CWZQCXVCYYXUEM-VIFPVBQESA-N -1 0 349.368 2.471 20 5 EEBDRM COC(=O)[C@@H](CC(C)(C)C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001598699972 995205568 /nfs/dbraw/zinc/20/55/68/995205568.db2.gz ZFLBZTOANGQECU-SNVBAGLBSA-N -1 0 339.348 2.386 20 5 EEBDRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001593575682 995683930 /nfs/dbraw/zinc/68/39/30/995683930.db2.gz URUPMLLTWQGHNV-MRVPVSSYSA-N -1 0 348.267 2.070 20 5 EEBDRM COc1ccc(C(=O)NCc2ccc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC001599485008 996833552 /nfs/dbraw/zinc/83/35/52/996833552.db2.gz PNNGDTWZUBUEKY-UHFFFAOYSA-N -1 0 336.325 2.293 20 5 EEBDRM CO[C@]1(C(F)(F)F)CCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001599086417 997105909 /nfs/dbraw/zinc/10/59/09/997105909.db2.gz JHTQSXSKFAGPKP-GFCCVEGCSA-N -1 0 349.265 2.154 20 5 EEBDRM COCCN(CCOC)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599236878 997962851 /nfs/dbraw/zinc/96/28/51/997962851.db2.gz FGNIXGHPNCADAJ-UHFFFAOYSA-N -1 0 332.740 2.046 20 5 EEBDRM CO[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@](C)(C(=O)[O-])C1 ZINC001599135589 998036247 /nfs/dbraw/zinc/03/62/47/998036247.db2.gz VVDMMQFEVKBBOT-RISCZKNCSA-N -1 0 328.752 2.312 20 5 EEBDRM COc1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c([N+](=O)[O-])cc1F ZINC001599350678 998087916 /nfs/dbraw/zinc/08/79/16/998087916.db2.gz MBYHQCXZKYNWFU-QMMMGPOBSA-N -1 0 340.307 2.068 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001598955783 998238385 /nfs/dbraw/zinc/23/83/85/998238385.db2.gz QYCDHYOZZDGJLV-GFCCVEGCSA-N -1 0 348.355 2.381 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001599371199 998412363 /nfs/dbraw/zinc/41/23/63/998412363.db2.gz QLQFCANASBYGTD-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCC(F)(F)C1 ZINC001521111796 1119213845 /nfs/dbraw/zinc/21/38/45/1119213845.db2.gz JSZFUWVARKGWBU-UHFFFAOYSA-N -1 0 339.302 2.424 20 5 EEBDRM CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493466922 282527975 /nfs/dbraw/zinc/52/79/75/282527975.db2.gz ODKOFIQSQKCRTK-XQRVVYSFSA-N -1 0 342.348 2.136 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165087441 304112523 /nfs/dbraw/zinc/11/25/23/304112523.db2.gz QBMKIPCRKSNBQO-JTQLQIEISA-N -1 0 343.133 2.047 20 5 EEBDRM Cc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nnc1C ZINC000446818410 242221761 /nfs/dbraw/zinc/22/17/61/242221761.db2.gz NRTJKYRKWASHLL-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM CC(C)C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236605528 242293819 /nfs/dbraw/zinc/29/38/19/242293819.db2.gz OGUKOEXEXNNMRU-GFCCVEGCSA-N -1 0 346.343 2.010 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000255188579 244046526 /nfs/dbraw/zinc/04/65/26/244046526.db2.gz KLRSOZUIWGNQHM-OAHLLOKOSA-N -1 0 343.339 2.062 20 5 EEBDRM Cc1oc(CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000262559235 245032798 /nfs/dbraw/zinc/03/27/98/245032798.db2.gz ZCKGWIOZQCYSJK-UHFFFAOYSA-N -1 0 347.327 2.265 20 5 EEBDRM C[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[C@@H]1C(=O)[O-] ZINC000262908832 245244397 /nfs/dbraw/zinc/24/43/97/245244397.db2.gz IOLWRBKJWRLQOS-GWCFXTLKSA-N -1 0 345.355 2.188 20 5 EEBDRM CC(C)(CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000263116807 245333084 /nfs/dbraw/zinc/33/30/84/245333084.db2.gz VBWASFXAFCDTNV-UHFFFAOYSA-N -1 0 347.327 2.079 20 5 EEBDRM CCOC(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(O)c1 ZINC000356574763 141020052 /nfs/dbraw/zinc/02/00/52/141020052.db2.gz IWOFINRQSGFBGX-UHFFFAOYSA-N -1 0 346.295 2.435 20 5 EEBDRM COc1cc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC000262915428 152338965 /nfs/dbraw/zinc/33/89/65/152338965.db2.gz DZVXSGSELXSLAG-INIZCTEOSA-N -1 0 336.344 2.239 20 5 EEBDRM CCOc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000263186584 152397581 /nfs/dbraw/zinc/39/75/81/152397581.db2.gz KUBNGSRTNUZPBB-CMPLNLGQSA-N -1 0 336.344 2.319 20 5 EEBDRM Cc1cccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C(N)=O ZINC000077957262 159112293 /nfs/dbraw/zinc/11/22/93/159112293.db2.gz CKJRQNKROJCZQU-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCc2cscn2)c1C ZINC000120922985 159396753 /nfs/dbraw/zinc/39/67/53/159396753.db2.gz QYKWRSMYUNHCBX-UHFFFAOYSA-N -1 0 341.414 2.189 20 5 EEBDRM CCn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cn1 ZINC000184801893 160018181 /nfs/dbraw/zinc/01/81/81/160018181.db2.gz CEHGGYHXVASXAP-UHFFFAOYSA-N -1 0 347.356 2.160 20 5 EEBDRM C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000237508507 160222119 /nfs/dbraw/zinc/22/21/19/160222119.db2.gz VVEWADUBBMLCII-MRVPVSSYSA-N -1 0 335.341 2.169 20 5 EEBDRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000238001182 160226760 /nfs/dbraw/zinc/22/67/60/160226760.db2.gz DPFXZJVDVPXFFJ-AWEZNQCLSA-N -1 0 332.287 2.160 20 5 EEBDRM COCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000344815056 161248300 /nfs/dbraw/zinc/24/83/00/161248300.db2.gz PIHGHCOCXTWDRZ-LBPRGKRZSA-N -1 0 340.401 2.285 20 5 EEBDRM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccon2)c1 ZINC000359111378 164061899 /nfs/dbraw/zinc/06/18/99/164061899.db2.gz VOJPYRCLUGCUMF-UHFFFAOYSA-N -1 0 348.134 2.146 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)NC2CCC(CO)CC2)c1[N+](=O)[O-] ZINC000359996918 164212257 /nfs/dbraw/zinc/21/22/57/164212257.db2.gz YRFVIFPDROVXBI-UHFFFAOYSA-N -1 0 342.417 2.041 20 5 EEBDRM Nc1c(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000362437735 164678226 /nfs/dbraw/zinc/67/82/26/164678226.db2.gz OVGLRZOLMYRBGO-GFCCVEGCSA-N -1 0 347.302 2.262 20 5 EEBDRM O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160144220 225347956 /nfs/dbraw/zinc/34/79/56/225347956.db2.gz LIXJQLPMQJOAKQ-UHFFFAOYSA-N -1 0 347.293 2.057 20 5 EEBDRM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[nH]1 ZINC000277915351 269198001 /nfs/dbraw/zinc/19/80/01/269198001.db2.gz RALSLIKEPLQYIF-RKDXNWHRSA-N -1 0 333.348 2.423 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000288073941 275020817 /nfs/dbraw/zinc/02/08/17/275020817.db2.gz YWYXFBREXAHWBP-CYBMUJFWSA-N -1 0 348.277 2.220 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@H]1C ZINC000337683218 301012588 /nfs/dbraw/zinc/01/25/88/301012588.db2.gz WSGRMXYYXOCRKU-KCJUWKMLSA-N -1 0 342.373 2.068 20 5 EEBDRM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000332449221 312009173 /nfs/dbraw/zinc/00/91/73/312009173.db2.gz LXLAOUUZZKIEAY-BZHVJNSISA-N -1 0 346.380 2.072 20 5 EEBDRM CC[C@](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)(C(=O)[O-])c1ccccc1 ZINC000414438052 313020518 /nfs/dbraw/zinc/02/05/18/313020518.db2.gz IQKITVSBIKZRCX-MRXNPFEDSA-N -1 0 331.328 2.085 20 5 EEBDRM O=C(NCc1ccc(OCC2CC2)nc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436869585 315008232 /nfs/dbraw/zinc/00/82/32/315008232.db2.gz MKUGOGWMXGYUAW-UHFFFAOYSA-N -1 0 343.339 2.414 20 5 EEBDRM COCC[C@H](Cc1ccco1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436917451 315012846 /nfs/dbraw/zinc/01/28/46/315012846.db2.gz DSGDGYIRRAQQHS-LLVKDONJSA-N -1 0 334.328 2.271 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(OC)ccn1 ZINC000089641818 441566022 /nfs/dbraw/zinc/56/60/22/441566022.db2.gz QWMFUOJXWHBCHJ-UHFFFAOYSA-N -1 0 337.357 2.362 20 5 EEBDRM O=C([O-])c1cccc(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000539678693 318058607 /nfs/dbraw/zinc/05/86/07/318058607.db2.gz XJWMDLXPRMCJPN-UHFFFAOYSA-N -1 0 344.323 2.031 20 5 EEBDRM CNc1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000555745301 318601182 /nfs/dbraw/zinc/60/11/82/318601182.db2.gz KADYLGLSAZABOT-BZNIZROVSA-N -1 0 335.360 2.400 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000556665057 318627705 /nfs/dbraw/zinc/62/77/05/318627705.db2.gz UTWJEKOWEGAQFW-NSHDSACASA-N -1 0 336.344 2.320 20 5 EEBDRM O=C(NCC1CCN(CC(F)F)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000556940741 318662021 /nfs/dbraw/zinc/66/20/21/318662021.db2.gz IYSUQDOUHBXDCL-UHFFFAOYSA-N -1 0 343.330 2.007 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)CC1CC1 ZINC000564217889 319073282 /nfs/dbraw/zinc/07/32/82/319073282.db2.gz HUUMSJIZIUGTQM-LLVKDONJSA-N -1 0 343.339 2.374 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2ccc3c(c2)CCO3)n1 ZINC000565034570 319141614 /nfs/dbraw/zinc/14/16/14/319141614.db2.gz CCKOCJJOZJCTKE-UHFFFAOYSA-N -1 0 329.312 2.278 20 5 EEBDRM Cc1cccc(N2CCC(n3cc(C(=O)[O-])nn3)CC2)c1[N+](=O)[O-] ZINC000565040919 319142920 /nfs/dbraw/zinc/14/29/20/319142920.db2.gz MGIUMEDHXBLHAE-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000566066435 319240296 /nfs/dbraw/zinc/24/02/96/319240296.db2.gz SFIQODBIWVKVRI-VHSXEESVSA-N -1 0 342.373 2.150 20 5 EEBDRM Cc1cc(NCC2([S@](C)=O)CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566739793 319316716 /nfs/dbraw/zinc/31/67/16/319316716.db2.gz BIWJKBKMRLHPHZ-QFIPXVFZSA-N -1 0 326.374 2.315 20 5 EEBDRM COCCOC[C@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000570931407 319711647 /nfs/dbraw/zinc/71/16/47/319711647.db2.gz OCLSHRBSFGHMFW-LBPRGKRZSA-N -1 0 338.360 2.091 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)C[C@@H](O)Cc2ccccc2)n1 ZINC000571884948 319796308 /nfs/dbraw/zinc/79/63/08/319796308.db2.gz YFSBJIYQSZPXGV-ZDUSSCGKSA-N -1 0 345.355 2.036 20 5 EEBDRM Cn1cnc([N+](=O)[O-])c1NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000573210798 319914241 /nfs/dbraw/zinc/91/42/41/319914241.db2.gz XOIVYALKPGTTMC-UHFFFAOYSA-N -1 0 334.332 2.184 20 5 EEBDRM COc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)on1 ZINC000183663819 323413197 /nfs/dbraw/zinc/41/31/97/323413197.db2.gz RDADVSUGSWWEFC-UHFFFAOYSA-N -1 0 329.215 2.445 20 5 EEBDRM CNc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000580812525 324131706 /nfs/dbraw/zinc/13/17/06/324131706.db2.gz UXJNFKIYUVRIOA-GFCCVEGCSA-N -1 0 341.323 2.465 20 5 EEBDRM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])o1 ZINC000184793173 465027047 /nfs/dbraw/zinc/02/70/47/465027047.db2.gz LZLDWCNHGJMEKN-ZDUSSCGKSA-N -1 0 332.312 2.416 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000326516344 465039398 /nfs/dbraw/zinc/03/93/98/465039398.db2.gz CMJMGRYQUKKLSZ-INIZCTEOSA-N -1 0 331.328 2.071 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2cncc3ccccc32)c([N+](=O)[O-])n1 ZINC000534674406 468273135 /nfs/dbraw/zinc/27/31/35/468273135.db2.gz XFFAGDYFSNCKDX-UHFFFAOYSA-N -1 0 347.356 2.160 20 5 EEBDRM O=C(CC1CCCCC1)NCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089540927 462691177 /nfs/dbraw/zinc/69/11/77/462691177.db2.gz PXPIXKTYOONTFT-UHFFFAOYSA-N -1 0 335.360 2.326 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3ccccn3n2)c1C ZINC000130676709 462770020 /nfs/dbraw/zinc/77/00/20/462770020.db2.gz PZRGOBRGCBVMAW-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000013440274 462893134 /nfs/dbraw/zinc/89/31/34/462893134.db2.gz PFLYANSQGOEFGV-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000133381733 462924853 /nfs/dbraw/zinc/92/48/53/462924853.db2.gz KVCMWWAEBFTWJG-UHFFFAOYSA-N -1 0 328.737 2.026 20 5 EEBDRM CC(C)C(=O)NC[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092705957 462976236 /nfs/dbraw/zinc/97/62/36/462976236.db2.gz KFSXLZPOMZDFFN-CYBMUJFWSA-N -1 0 335.404 2.285 20 5 EEBDRM O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157535771 463140259 /nfs/dbraw/zinc/14/02/59/463140259.db2.gz OZNKXSMPEAIBAE-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM Cc1c(Br)c(N2CCC[C@@H]2C(=O)[O-])ncc1[N+](=O)[O-] ZINC000165654894 463645322 /nfs/dbraw/zinc/64/53/22/463645322.db2.gz YCCYYKMJGAGEPH-SSDOTTSWSA-N -1 0 330.138 2.114 20 5 EEBDRM CC(C)n1nccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000171149918 463797170 /nfs/dbraw/zinc/79/71/70/463797170.db2.gz YSGJRPXQNMQHMG-UHFFFAOYSA-N -1 0 328.325 2.312 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)NCCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000276897195 463798480 /nfs/dbraw/zinc/79/84/80/463798480.db2.gz LCGXIHHKPKCXEQ-UHFFFAOYSA-N -1 0 344.389 2.135 20 5 EEBDRM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[nH]1 ZINC000278039535 463941634 /nfs/dbraw/zinc/94/16/34/463941634.db2.gz ZEELIJFPYDYQOC-DTWKUNHWSA-N -1 0 333.348 2.423 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)ccc1[N+](=O)[O-] ZINC000172183873 464010867 /nfs/dbraw/zinc/01/08/67/464010867.db2.gz YQRDPDNIOPAWSH-UHFFFAOYSA-N -1 0 334.357 2.371 20 5 EEBDRM COCCCO[N-]C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000287894076 464024427 /nfs/dbraw/zinc/02/44/27/464024427.db2.gz RRJNEXQWIKRRJH-UHFFFAOYSA-N -1 0 340.379 2.239 20 5 EEBDRM C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)[O-] ZINC000263478438 464112869 /nfs/dbraw/zinc/11/28/69/464112869.db2.gz UBOQRMFUZSVMFN-BBBLOLIVSA-N -1 0 326.374 2.301 20 5 EEBDRM CN1CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc21 ZINC000182072882 464564713 /nfs/dbraw/zinc/56/47/13/464564713.db2.gz XHZQPJHVOYRYIG-UHFFFAOYSA-N -1 0 329.312 2.381 20 5 EEBDRM CCCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000190358337 464627435 /nfs/dbraw/zinc/62/74/35/464627435.db2.gz LQILYKYGJIKWPF-UHFFFAOYSA-N -1 0 326.334 2.040 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000492415804 468415656 /nfs/dbraw/zinc/41/56/56/468415656.db2.gz LSOSQCSOHMGUKB-TZFJFLECSA-N -1 0 348.330 2.460 20 5 EEBDRM O=C(Cn1ccc2ccccc2c1=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000344543048 465659021 /nfs/dbraw/zinc/65/90/21/465659021.db2.gz NEJNFBJFYWFVIT-UHFFFAOYSA-N -1 0 339.307 2.254 20 5 EEBDRM CO[C@H]1C[C@H](N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C12CCC2 ZINC000597160653 468464346 /nfs/dbraw/zinc/46/43/46/468464346.db2.gz IGOKFLLWRHIFMW-KBPBESRZSA-N -1 0 348.355 2.323 20 5 EEBDRM CCCC(=O)N1CCC(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000361657603 466184008 /nfs/dbraw/zinc/18/40/08/466184008.db2.gz VZDKJYPWDULSHO-UHFFFAOYSA-N -1 0 335.360 2.278 20 5 EEBDRM Cc1c(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000331921918 466306057 /nfs/dbraw/zinc/30/60/57/466306057.db2.gz OLMRRJONPXHFHA-GFCCVEGCSA-N -1 0 331.332 2.094 20 5 EEBDRM CN(CCOc1ccccc1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000350070688 466373001 /nfs/dbraw/zinc/37/30/01/466373001.db2.gz CMXGRKYJXLVAEE-UHFFFAOYSA-N -1 0 344.323 2.444 20 5 EEBDRM CCn1nccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000350728416 466589298 /nfs/dbraw/zinc/58/92/98/466589298.db2.gz BLXVWHRCDUKQNS-UHFFFAOYSA-N -1 0 330.753 2.265 20 5 EEBDRM C[C@H](CCC[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000320966561 466615929 /nfs/dbraw/zinc/61/59/29/466615929.db2.gz NMKLADUCJWVXCG-MNOVXSKESA-N -1 0 344.389 2.153 20 5 EEBDRM Cc1nc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])no1 ZINC000374798986 466747467 /nfs/dbraw/zinc/74/74/67/466747467.db2.gz IRSDQRZSMMOMMW-LBPRGKRZSA-N -1 0 332.316 2.359 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCNCC1(F)F ZINC000423748739 466822033 /nfs/dbraw/zinc/82/20/33/466822033.db2.gz UVXDFCMKEPSDJC-SSDOTTSWSA-N -1 0 335.694 2.137 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC(COc2ccccc2)C1 ZINC000377152741 467044061 /nfs/dbraw/zinc/04/40/61/467044061.db2.gz UHZAPVGGPXRTGH-UHFFFAOYSA-N -1 0 328.324 2.451 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000431442363 467516212 /nfs/dbraw/zinc/51/62/12/467516212.db2.gz AUASKZBDJDEMCQ-HNNXBMFYSA-N -1 0 341.323 2.122 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000431527049 467522576 /nfs/dbraw/zinc/52/25/76/467522576.db2.gz ZBXSBIRUXLYUJK-UHFFFAOYSA-N -1 0 338.703 2.398 20 5 EEBDRM Cc1ccc(C[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1C ZINC000457327852 467803679 /nfs/dbraw/zinc/80/36/79/467803679.db2.gz RJSGYQGKGCBIQM-HNNXBMFYSA-N -1 0 344.367 2.251 20 5 EEBDRM CC[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000517570992 468089596 /nfs/dbraw/zinc/08/95/96/468089596.db2.gz KHOMKRRGKLGIBO-APPZFPTMSA-N -1 0 337.254 2.110 20 5 EEBDRM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ncoc1C(F)(F)F ZINC000590447451 468259122 /nfs/dbraw/zinc/25/91/22/468259122.db2.gz XQBLHTBZLKSLTI-UHFFFAOYSA-N -1 0 341.205 2.730 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1noc(C(F)F)n1 ZINC000591784357 468521136 /nfs/dbraw/zinc/52/11/36/468521136.db2.gz RCBVCAXJOOVPJH-RXMQYKEDSA-N -1 0 328.231 2.112 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000582363194 468530657 /nfs/dbraw/zinc/53/06/57/468530657.db2.gz MFJVMXDFRJBOKG-ZSBIGDGJSA-N -1 0 337.376 3.002 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594460917 468595809 /nfs/dbraw/zinc/59/58/09/468595809.db2.gz BKOKJRXGLSXRCM-DVVUODLYSA-N -1 0 335.360 2.042 20 5 EEBDRM O=C([O-])CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000594467190 468597149 /nfs/dbraw/zinc/59/71/49/468597149.db2.gz QPNOFZGAKSIPBD-UHFFFAOYSA-N -1 0 326.736 2.256 20 5 EEBDRM Cc1c(NS(=O)(=O)CCC2CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000600654724 468612012 /nfs/dbraw/zinc/61/20/12/468612012.db2.gz CGRKSLDCPJWPDO-UHFFFAOYSA-N -1 0 328.346 2.143 20 5 EEBDRM C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000582905303 468615329 /nfs/dbraw/zinc/61/53/29/468615329.db2.gz KTCHDLWLZLELIK-BXKDBHETSA-N -1 0 340.763 2.360 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O[C@H]3CCOC3)cc2)[nH]1 ZINC000594697727 468657016 /nfs/dbraw/zinc/65/70/16/468657016.db2.gz YDUXHKUOURSMBJ-UXONFWTHSA-N -1 0 345.311 2.134 20 5 EEBDRM C[C@](NC(=O)[C@@H]1C[C@H]1C1CCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600871671 468671952 /nfs/dbraw/zinc/67/19/52/468671952.db2.gz BFFRSQZHNVFWFR-JJRVBVJISA-N -1 0 332.356 2.447 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000592353932 468681080 /nfs/dbraw/zinc/68/10/80/468681080.db2.gz SRTCTMAAHAPBSJ-UHFFFAOYSA-N -1 0 339.377 2.215 20 5 EEBDRM Cn1cc([C@H]2N(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2(C)C)cn1 ZINC000560565249 468829361 /nfs/dbraw/zinc/82/93/61/468829361.db2.gz ZLWIMGBQBULBCF-CQSZACIVSA-N -1 0 330.344 2.257 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](Cc3ccncc3)C2)n1 ZINC000592976044 468832152 /nfs/dbraw/zinc/83/21/52/468832152.db2.gz VGKGXCBVJFJALY-CYBMUJFWSA-N -1 0 342.355 2.460 20 5 EEBDRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000584454371 468874410 /nfs/dbraw/zinc/87/44/10/468874410.db2.gz VMUUOIXYZCUDIC-JTQLQIEISA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1nnc(CN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000598515283 468897227 /nfs/dbraw/zinc/89/72/27/468897227.db2.gz VZBDFFVOHUYFIY-UHFFFAOYSA-N -1 0 342.764 2.386 20 5 EEBDRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000562393830 468949020 /nfs/dbraw/zinc/94/90/20/468949020.db2.gz VSLJOGIFXYQBPF-UHFFFAOYSA-N -1 0 349.730 2.370 20 5 EEBDRM Cn1ccnc1[C@@H]1OCC[C@H]1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000598697517 468962184 /nfs/dbraw/zinc/96/21/84/468962184.db2.gz CQGBUUWDVVXIJD-SFYWPNLHSA-N -1 0 344.327 2.213 20 5 EEBDRM COc1ccc(C(=O)N(CC(=O)[O-])C2CCCCC2)cc1[N+](=O)[O-] ZINC000610845826 469087056 /nfs/dbraw/zinc/08/70/56/469087056.db2.gz IKYIQOQGERZKHA-UHFFFAOYSA-N -1 0 336.344 2.463 20 5 EEBDRM COc1ccc(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC000595990472 469108834 /nfs/dbraw/zinc/10/88/34/469108834.db2.gz VHFMRXAHXBCGSW-CQSZACIVSA-N -1 0 336.344 2.111 20 5 EEBDRM C[C@@]1(O)CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000563191396 469194151 /nfs/dbraw/zinc/19/41/51/469194151.db2.gz AKCRKUFMCFQWKG-CQSZACIVSA-N -1 0 328.752 2.331 20 5 EEBDRM CC(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccnn1C ZINC000616021828 469355061 /nfs/dbraw/zinc/35/50/61/469355061.db2.gz VSAWDQAFZTXAFZ-GFCCVEGCSA-N -1 0 332.360 2.204 20 5 EEBDRM Cc1cc(C)nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000191917505 534140828 /nfs/dbraw/zinc/14/08/28/534140828.db2.gz ASNOWKFTZATOPQ-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM C[C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000573377562 518184198 /nfs/dbraw/zinc/18/41/98/518184198.db2.gz QZUFOXPNJMMWNW-UWVGGRQHSA-N -1 0 342.373 2.150 20 5 EEBDRM CCC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165118281 528201951 /nfs/dbraw/zinc/20/19/51/528201951.db2.gz RECXEXXNHCGLSY-JTQLQIEISA-N -1 0 345.149 2.340 20 5 EEBDRM CCCOc1ncccc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160124702 528791638 /nfs/dbraw/zinc/79/16/38/528791638.db2.gz RGSQHKUXRIQFGJ-UHFFFAOYSA-N -1 0 331.328 2.414 20 5 EEBDRM Cc1nn(CCC(=O)Oc2cccc(C(=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC000738384008 578012057 /nfs/dbraw/zinc/01/20/57/578012057.db2.gz WJYRENPTZRHTAX-UHFFFAOYSA-N -1 0 333.300 2.102 20 5 EEBDRM O=C([O-])c1ccc(OCC(=O)OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000739323319 575984629 /nfs/dbraw/zinc/98/46/29/575984629.db2.gz GBDQYDRLBLVDJW-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1C ZINC000733062053 577201496 /nfs/dbraw/zinc/20/14/96/577201496.db2.gz LSPWXZSXDRYYRR-UHFFFAOYSA-N -1 0 328.390 2.399 20 5 EEBDRM O=C(NC[C@@H]1COC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773609093 577354217 /nfs/dbraw/zinc/35/42/17/577354217.db2.gz AJKSPEBOXMOTML-GFCCVEGCSA-N -1 0 336.344 2.106 20 5 EEBDRM O=C([N-]S(=O)(=O)C1CCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000774299335 577394141 /nfs/dbraw/zinc/39/41/41/577394141.db2.gz RQCLUZOVNMYISD-UHFFFAOYSA-N -1 0 340.382 2.422 20 5 EEBDRM COc1cc(O)cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768891520 577565176 /nfs/dbraw/zinc/56/51/76/577565176.db2.gz OQIMLVZOLSDXFF-UHFFFAOYSA-N -1 0 330.343 2.171 20 5 EEBDRM CCCC1(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000759535166 577644990 /nfs/dbraw/zinc/64/49/90/577644990.db2.gz SQNPOFFTOCBUCD-UHFFFAOYSA-N -1 0 326.374 2.370 20 5 EEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C2=CCCC2)cc1[N+](=O)[O-] ZINC000761006531 577674096 /nfs/dbraw/zinc/67/40/96/577674096.db2.gz WQUVJNZDBYPJSW-UHFFFAOYSA-N -1 0 344.776 2.472 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)C=Cc1ccccc1Cl ZINC000753954559 577797431 /nfs/dbraw/zinc/79/74/31/577797431.db2.gz WEIUFBQCBHVNKT-SOFGYWHQSA-N -1 0 339.760 2.478 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC12CCCC2 ZINC000747478284 577945219 /nfs/dbraw/zinc/94/52/19/577945219.db2.gz FQOCJRURYASORF-GFCCVEGCSA-N -1 0 342.348 2.119 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2cccc3nccn32)cc([N+](=O)[O-])c1 ZINC000738673692 578023493 /nfs/dbraw/zinc/02/34/93/578023493.db2.gz VBHNQWHFSCARKL-UHFFFAOYSA-N -1 0 326.268 2.193 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 ZINC000738688701 578023843 /nfs/dbraw/zinc/02/38/43/578023843.db2.gz CNSVCYHEHIQFHX-UHFFFAOYSA-N -1 0 345.263 2.283 20 5 EEBDRM O=C([O-])C[C@@H]1CSCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000739650485 578062562 /nfs/dbraw/zinc/06/25/62/578062562.db2.gz BDFVPTAICRYHAQ-SNVBAGLBSA-N -1 0 349.368 2.108 20 5 EEBDRM O=C([O-])COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC000739834143 578069345 /nfs/dbraw/zinc/06/93/45/578069345.db2.gz GTNMJFMVPLKFMH-UHFFFAOYSA-N -1 0 348.286 2.127 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NCc2ccoc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657152 578216869 /nfs/dbraw/zinc/21/68/69/578216869.db2.gz PRUKZNUJFXDWGF-VIFPVBQESA-N -1 0 333.300 2.003 20 5 EEBDRM Cc1c(C(=O)N(CC(=O)[O-])C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000820934323 598073126 /nfs/dbraw/zinc/07/31/26/598073126.db2.gz YLZYEVLACCHBFJ-UHFFFAOYSA-N -1 0 339.304 2.055 20 5 EEBDRM Cc1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)ccc1C(=O)[O-] ZINC000237687319 599915329 /nfs/dbraw/zinc/91/53/29/599915329.db2.gz ZHEBRXWLXAHHTG-UHFFFAOYSA-N -1 0 332.316 2.172 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCOC1CCC1 ZINC000833308700 600825144 /nfs/dbraw/zinc/82/51/44/600825144.db2.gz ZSBYGWVPPZTMPQ-UHFFFAOYSA-N -1 0 325.277 2.182 20 5 EEBDRM CN(CCOCC1CC1)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000830791514 601566101 /nfs/dbraw/zinc/56/61/01/601566101.db2.gz DSKIAPWMDTVDLF-UHFFFAOYSA-N -1 0 339.304 2.064 20 5 EEBDRM Cc1cccc(N(CC(=O)[O-])C(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000832970123 601678499 /nfs/dbraw/zinc/67/84/99/601678499.db2.gz SNGCWNQAJOTRRE-UHFFFAOYSA-N -1 0 343.339 2.349 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1[N+](=O)[O-] ZINC000832856213 601761070 /nfs/dbraw/zinc/76/10/70/601761070.db2.gz KQLRBGAJZGIFBR-UHFFFAOYSA-N -1 0 348.271 2.100 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@H]2CCCn3ncnc32)c([N+](=O)[O-])c1 ZINC000833195323 601787023 /nfs/dbraw/zinc/78/70/23/601787023.db2.gz FMDWIPDIZZIZMI-RNZFLTOJSA-N -1 0 329.316 2.231 20 5 EEBDRM O=C([O-])CCc1nc(COc2c(Cl)cccc2[N+](=O)[O-])no1 ZINC000833242093 602125897 /nfs/dbraw/zinc/12/58/97/602125897.db2.gz OCAFRIULIBAAFD-UHFFFAOYSA-N -1 0 327.680 2.227 20 5 EEBDRM CC(=O)N[C@@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000825870855 602251133 /nfs/dbraw/zinc/25/11/33/602251133.db2.gz HBHORJLHULGNCG-SECBINFHSA-N -1 0 341.751 2.051 20 5 EEBDRM COC(=O)c1cc(N[C@@H]2CCCN(C(=O)[O-])C2)cc(C)c1[N+](=O)[O-] ZINC000831315926 602315750 /nfs/dbraw/zinc/31/57/50/602315750.db2.gz MNLRZDOZBLKCKK-SNVBAGLBSA-N -1 0 337.332 2.244 20 5 EEBDRM COC(=O)[C@@H]1CC12CCN(c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)CC2 ZINC000831101147 602318033 /nfs/dbraw/zinc/31/80/33/602318033.db2.gz SSHGFQHRZIIELX-ZDUSSCGKSA-N -1 0 348.355 2.381 20 5 EEBDRM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000833333626 602341564 /nfs/dbraw/zinc/34/15/64/602341564.db2.gz DKPWZJVBLXJMDM-UHFFFAOYSA-N -1 0 327.296 2.281 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000830859206 602365584 /nfs/dbraw/zinc/36/55/84/602365584.db2.gz AAGAFCQWZHKQOV-UHFFFAOYSA-N -1 0 332.316 2.295 20 5 EEBDRM Cc1noc(C)c1CCOC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833757562 604581562 /nfs/dbraw/zinc/58/15/62/604581562.db2.gz GRHLPVUUDAVOLI-UHFFFAOYSA-N -1 0 334.284 2.297 20 5 EEBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000833680075 605312957 /nfs/dbraw/zinc/31/29/57/605312957.db2.gz CUXICFJEGJLWFW-UHFFFAOYSA-N -1 0 334.284 2.388 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1ccc(-c2nn[nH]n2)s1 ZINC000823387152 606390137 /nfs/dbraw/zinc/39/01/37/606390137.db2.gz DKCFVSULVUTYGO-IWQZZHSRSA-N -1 0 344.312 2.100 20 5 EEBDRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013469597 682911003 /nfs/dbraw/zinc/91/10/03/682911003.db2.gz TZXNENMLKZEZKA-RYUDHWBXSA-N -1 0 335.272 2.109 20 5 EEBDRM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120558172 1198208730 /nfs/dbraw/zinc/20/87/30/1198208730.db2.gz LPDFJCHVRLDPRQ-ZJUUUORDSA-N -1 0 344.364 2.365 20 5 EEBDRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000133441488 1249004976 /nfs/dbraw/zinc/00/49/76/1249004976.db2.gz CUMFQEJFYJVBLW-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM Cc1cc(C)cc([C@H](O)CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000801537564 1235800412 /nfs/dbraw/zinc/80/04/12/1235800412.db2.gz UVAWJTGKGIUIJF-MRXNPFEDSA-N -1 0 330.340 2.381 20 5 EEBDRM CC(F)(F)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000815066343 1278049305 /nfs/dbraw/zinc/04/93/05/1278049305.db2.gz KYUHBMNXACOLAX-UHFFFAOYSA-N -1 0 332.687 2.321 20 5 EEBDRM Cc1[nH]nc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1[N+](=O)[O-] ZINC000777771748 1297072838 /nfs/dbraw/zinc/07/28/38/1297072838.db2.gz QFWFGIJPXSZMPF-UHFFFAOYSA-N -1 0 341.667 2.146 20 5 EEBDRM O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)c([O-])c([N+](=O)[O-])c1 ZINC001216713484 1297263406 /nfs/dbraw/zinc/26/34/06/1297263406.db2.gz PNUOGSBBKXLSCU-UHFFFAOYSA-N -1 0 329.228 2.321 20 5 EEBDRM O=[N+]([O-])c1cc(-c2nc(-c3ccncc3)no2)c([O-])c([N+](=O)[O-])c1 ZINC001216713236 1297263849 /nfs/dbraw/zinc/26/38/49/1297263849.db2.gz JOYRJBLAOZUFHO-UHFFFAOYSA-N -1 0 329.228 2.321 20 5 EEBDRM COc1cnc(-c2noc(-c3ccc([O-])cc3[N+](=O)[O-])n2)c(OC)c1 ZINC001216894830 1297328841 /nfs/dbraw/zinc/32/88/41/1297328841.db2.gz XHUBITNGSATHFJ-UHFFFAOYSA-N -1 0 344.283 2.430 20 5 EEBDRM O=[N+]([O-])c1ccc([C@@H](OCCCS(=O)(=O)[O-])C(F)(F)F)cc1 ZINC001224896405 1300773217 /nfs/dbraw/zinc/77/32/17/1300773217.db2.gz CRRJRWMVCUTNTK-SNVBAGLBSA-N -1 0 343.279 2.493 20 5 EEBDRM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1ccc(S(=O)(=O)[O-])cc1)C2 ZINC001225511254 1301030517 /nfs/dbraw/zinc/03/05/17/1301030517.db2.gz GESDNVDGEOZMEN-CQSZACIVSA-N -1 0 335.337 2.388 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H](C)c2cccc(C)c2)c1[N+](=O)[O-] ZINC001226650084 1301493732 /nfs/dbraw/zinc/49/37/32/1301493732.db2.gz PBSXELVMGIYFEQ-VIFPVBQESA-N -1 0 333.300 2.325 20 5 EEBDRM CCCCOC(=O)[C@@H](C)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095427 1301686145 /nfs/dbraw/zinc/68/61/45/1301686145.db2.gz JFIOMKMTPVHLOB-SECBINFHSA-N -1 0 335.316 2.354 20 5 EEBDRM O=C1CC([O-])=NC(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)=N1 ZINC001228392973 1302240184 /nfs/dbraw/zinc/24/01/84/1302240184.db2.gz XGJQELCIWVEQEJ-JTQLQIEISA-N -1 0 331.206 2.478 20 5 EEBDRM COC(=O)[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001228971501 1302551809 /nfs/dbraw/zinc/55/18/09/1302551809.db2.gz PNWUQZQLTXXHBM-AWEZNQCLSA-N -1 0 337.259 2.438 20 5 EEBDRM CCCSc1nc(O[C@H](C[N+](=O)[O-])C2CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229793498 1302946909 /nfs/dbraw/zinc/94/69/09/1302946909.db2.gz ZYHAUMUGAMRCHV-MRVPVSSYSA-N -1 0 344.349 2.027 20 5 EEBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C)[n-]1 ZINC001231263827 1303710432 /nfs/dbraw/zinc/71/04/32/1303710432.db2.gz MLYCAQYGHIRODF-ONGXEEELSA-N -1 0 339.348 2.390 20 5 EEBDRM CC(C)[C@@H](F)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000784498865 1304491119 /nfs/dbraw/zinc/49/11/19/1304491119.db2.gz MSNGHQIHTSSMQN-SECBINFHSA-N -1 0 338.744 2.047 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000799644106 1305349269 /nfs/dbraw/zinc/34/92/69/1305349269.db2.gz JOESSBYHINALGW-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM C[C@@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000840699909 1315399991 /nfs/dbraw/zinc/39/99/91/1315399991.db2.gz YPBINBOQVZAOHW-VIFPVBQESA-N -1 0 325.317 2.321 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c2ccccc12 ZINC001608506751 1351706312 /nfs/dbraw/zinc/70/63/12/1351706312.db2.gz XPEIWKMLOPXLGV-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM CC(C)(CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)CC(=O)[O-] ZINC001603647690 1350733392 /nfs/dbraw/zinc/73/33/92/1350733392.db2.gz NDRBUURSXKZSRR-UHFFFAOYSA-N -1 0 335.360 2.400 20 5 EEBDRM CC(C)(C)C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)[O-] ZINC001603326498 1350688027 /nfs/dbraw/zinc/68/80/27/1350688027.db2.gz BNRSBXMJGJSUDA-GFCCVEGCSA-N -1 0 339.300 2.370 20 5 EEBDRM C[C@](CCF)(NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604139947 1350871000 /nfs/dbraw/zinc/87/10/00/1350871000.db2.gz MVNGWEBXEKRXFX-CYBMUJFWSA-N -1 0 332.715 2.110 20 5 EEBDRM O=C([O-])COc1ccc(CN2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001608758980 1351756727 /nfs/dbraw/zinc/75/67/27/1351756727.db2.gz PEVQBPNTOWANFV-WDEREUQCSA-N -1 0 342.298 2.145 20 5 EEBDRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001608820635 1351771673 /nfs/dbraw/zinc/77/16/73/1351771673.db2.gz HBHUFFJMDGMKGG-KYZUINATSA-N -1 0 332.316 2.301 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)cc([N+](=O)[O-])c1 ZINC001608835680 1351775009 /nfs/dbraw/zinc/77/50/09/1351775009.db2.gz ROFVCZZOMNACKC-ZIAGYGMSSA-N -1 0 346.339 2.267 20 5 EEBDRM O=C([O-])c1ccc(OC[C@H]2CCC[C@]3(CCOC3)O2)c([N+](=O)[O-])c1 ZINC001608906101 1351791113 /nfs/dbraw/zinc/79/11/13/1351791113.db2.gz DFRHIBVUVFTGDV-MLGOLLRUSA-N -1 0 337.328 2.400 20 5 EEBDRM Cc1oc(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1C(=O)[O-] ZINC001319315173 1332681863 /nfs/dbraw/zinc/68/18/63/1332681863.db2.gz YWVVSQQTQFWGAO-UHFFFAOYSA-N -1 0 347.327 2.190 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC=C(c3cccnc3)C2)c1[N+](=O)[O-] ZINC001608952598 1351801873 /nfs/dbraw/zinc/80/18/73/1351801873.db2.gz DDPZOBWGWINUIJ-UHFFFAOYSA-N -1 0 326.312 2.377 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C2 ZINC001609027042 1351818641 /nfs/dbraw/zinc/81/86/41/1351818641.db2.gz VKNLGNDYOPHHPX-FRQROOTJSA-N -1 0 344.367 2.412 20 5 EEBDRM CC[C@H](C)n1nc([N-]c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1C ZINC001609187401 1351882474 /nfs/dbraw/zinc/88/24/74/1351882474.db2.gz CPPDPCALXAMBIT-QMMMGPOBSA-N -1 0 343.351 2.389 20 5 EEBDRM O=C1OCc2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC001327104852 1334222937 /nfs/dbraw/zinc/22/29/37/1334222937.db2.gz OMYJQQNHQJZTMI-UHFFFAOYSA-N -1 0 340.338 2.128 20 5 EEBDRM C[C@H](C(=O)NC1(C(=O)[O-])CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC001609634285 1352046875 /nfs/dbraw/zinc/04/68/75/1352046875.db2.gz CQGQZVNEHZFAMB-JTQLQIEISA-N -1 0 338.385 2.165 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC001609865152 1352106201 /nfs/dbraw/zinc/10/62/01/1352106201.db2.gz GVFGHXOEJADZLC-LLVKDONJSA-N -1 0 348.355 2.467 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(=O)[O-] ZINC001609902041 1352115248 /nfs/dbraw/zinc/11/52/48/1352115248.db2.gz QQCPIMSWQPDVSU-ISVAXAHUSA-N -1 0 341.339 2.029 20 5 EEBDRM CCN(CC)C(=O)CCCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001609994761 1352137039 /nfs/dbraw/zinc/13/70/39/1352137039.db2.gz IZLHIHPUCNIOKG-UHFFFAOYSA-N -1 0 338.364 2.057 20 5 EEBDRM CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(OCC(=O)[O-])cc1 ZINC001610091921 1352160227 /nfs/dbraw/zinc/16/02/27/1352160227.db2.gz YYZOJKBSPXEKIA-UHFFFAOYSA-N -1 0 344.323 2.264 20 5 EEBDRM COC1(CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CCC1 ZINC001610227688 1352190122 /nfs/dbraw/zinc/19/01/22/1352190122.db2.gz FIVVJSRJDITORB-UHFFFAOYSA-N -1 0 337.332 2.292 20 5 EEBDRM COc1cc(C(=O)OCc2cccc(C(=O)[O-])n2)ccc1[N+](=O)[O-] ZINC001610289124 1352200383 /nfs/dbraw/zinc/20/03/83/1352200383.db2.gz KDLZSSXLYYOZFV-UHFFFAOYSA-N -1 0 332.268 2.054 20 5 EEBDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC001610388023 1352215023 /nfs/dbraw/zinc/21/50/23/1352215023.db2.gz AAHCJUAMWAUNGR-NSHDSACASA-N -1 0 343.339 2.293 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001610479612 1352229371 /nfs/dbraw/zinc/22/93/71/1352229371.db2.gz HASYJCZXPYXEIZ-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)N(C)C(C)(C)CC(=O)[O-])c1[N+](=O)[O-] ZINC001610495216 1352233239 /nfs/dbraw/zinc/23/32/39/1352233239.db2.gz IDKJMCINTHFSKE-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM O=C([O-])c1ccc(F)c(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)c1 ZINC001610831967 1352282361 /nfs/dbraw/zinc/28/23/61/1352282361.db2.gz RVEFYAUYLBTEFL-UHFFFAOYSA-N -1 0 326.667 2.296 20 5 EEBDRM O=C([O-])c1cnc(NCc2nnc(C3CC3)n2C2CC2)c([N+](=O)[O-])c1 ZINC001610863271 1352287021 /nfs/dbraw/zinc/28/70/21/1352287021.db2.gz WANVAPATFVTEFB-UHFFFAOYSA-N -1 0 344.331 2.104 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC001610840373 1352283403 /nfs/dbraw/zinc/28/34/03/1352283403.db2.gz OGWSVMWITASUQQ-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM CC(C)(CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC001590750318 1349395066 /nfs/dbraw/zinc/39/50/66/1349395066.db2.gz GJECDQVMNIAEKK-UHFFFAOYSA-N -1 0 335.360 2.400 20 5 EEBDRM Cc1cc(C(=O)N2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001600079051 1349967045 /nfs/dbraw/zinc/96/70/45/1349967045.db2.gz CHOZGUIYBKNXSC-SDJAHQOYSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1cc(C)n(CCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)n1 ZINC001600179125 1349986940 /nfs/dbraw/zinc/98/69/40/1349986940.db2.gz DRNGZPRISZNIFV-UHFFFAOYSA-N -1 0 346.343 2.444 20 5 EEBDRM Cc1cc(Cn2cc([N+](=O)[O-])c(C(=O)[O-])n2)cnc1Br ZINC001600221994 1349996490 /nfs/dbraw/zinc/99/64/90/1349996490.db2.gz QVIKHLAITJRGQU-UHFFFAOYSA-N -1 0 341.121 2.004 20 5 EEBDRM Cc1cc(N(C)[C@H](C)C(=O)NC(C)(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600234897 1349998909 /nfs/dbraw/zinc/99/89/09/1349998909.db2.gz QJCOGMTZZWCJMV-SNVBAGLBSA-N -1 0 337.376 2.341 20 5 EEBDRM Cc1cc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001600238170 1349999063 /nfs/dbraw/zinc/99/90/63/1349999063.db2.gz FGZMOUVRCDHUHH-RKDXNWHRSA-N -1 0 348.277 2.194 20 5 EEBDRM Cc1cc(N2CC(O)(c3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600237865 1349999098 /nfs/dbraw/zinc/99/90/98/1349999098.db2.gz BBRPIFHEOOUSTE-UHFFFAOYSA-N -1 0 328.324 2.309 20 5 EEBDRM Cc1cc(N2CCO[C@H](C(F)(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600241204 1350000001 /nfs/dbraw/zinc/00/00/01/1350000001.db2.gz ZAQAYWXXIRTYHL-NSHDSACASA-N -1 0 334.250 2.369 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C(=O)NCc2ocnc2C(=O)[O-])cc1Cl ZINC001600302786 1350015376 /nfs/dbraw/zinc/01/53/76/1350015376.db2.gz RFANZUUNNNQYRP-UHFFFAOYSA-N -1 0 339.691 2.173 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001600304769 1350015717 /nfs/dbraw/zinc/01/57/17/1350015717.db2.gz LJJFYVVPZPYBRK-QPKOPYBWSA-N -1 0 348.355 2.138 20 5 EEBDRM Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001600306266 1350016254 /nfs/dbraw/zinc/01/62/54/1350016254.db2.gz GCZKPZONKJGUKJ-LSDHHAIUSA-N -1 0 343.339 2.308 20 5 EEBDRM Cc1cccc2nc(C(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cn21 ZINC001600560341 1350082574 /nfs/dbraw/zinc/08/25/74/1350082574.db2.gz PUEKYYUWCAJKSK-UHFFFAOYSA-N -1 0 341.279 2.468 20 5 EEBDRM Cc1ccccc1[C@@H](CO)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600570949 1350085957 /nfs/dbraw/zinc/08/59/57/1350085957.db2.gz TWTZIWGFSGMODN-OAHLLOKOSA-N -1 0 344.323 2.065 20 5 EEBDRM Cc1ccncc1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001600604982 1350095888 /nfs/dbraw/zinc/09/58/88/1350095888.db2.gz DORBVVGXVHXSAC-UHFFFAOYSA-N -1 0 329.312 2.486 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCC[C@H](C(=O)[O-])C3)n2)n1C ZINC001600718907 1350120625 /nfs/dbraw/zinc/12/06/25/1350120625.db2.gz XXXRWMUSYAWDMJ-IUCAKERBSA-N -1 0 335.320 2.045 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)n1 ZINC001600969995 1350179281 /nfs/dbraw/zinc/17/92/81/1350179281.db2.gz UELFQBJUTSOXAJ-UHFFFAOYSA-N -1 0 342.670 2.071 20 5 EEBDRM NC(=O)C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001601147481 1350220282 /nfs/dbraw/zinc/22/02/82/1350220282.db2.gz GHTRFBKJUBXJNT-MRVPVSSYSA-N -1 0 341.751 2.181 20 5 EEBDRM Nc1c(C(=O)NCCCCC2(C(=O)[O-])CCC2)cccc1[N+](=O)[O-] ZINC001601207791 1350231359 /nfs/dbraw/zinc/23/13/59/1350231359.db2.gz UMBAATJTSQTFNA-UHFFFAOYSA-N -1 0 335.360 2.332 20 5 EEBDRM O=C([O-])c1ccn(CCCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC001601273766 1350246601 /nfs/dbraw/zinc/24/66/01/1350246601.db2.gz RLMTXTGSWDBHDY-UHFFFAOYSA-N -1 0 336.279 2.048 20 5 EEBDRM O=C([O-])C1(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC001601719019 1350347720 /nfs/dbraw/zinc/34/77/20/1350347720.db2.gz WFMYCBDXCBIZGI-UHFFFAOYSA-N -1 0 345.149 2.164 20 5 EEBDRM O=C([O-])C1=CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC001601735158 1350351637 /nfs/dbraw/zinc/35/16/37/1350351637.db2.gz QCRNHMPGJVJQHN-ZDUSSCGKSA-N -1 0 345.355 2.442 20 5 EEBDRM O=C([O-])C1=NOC2(C1)CCN(c1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC001601744902 1350353653 /nfs/dbraw/zinc/35/36/53/1350353653.db2.gz RWINHALYNAZNCS-UHFFFAOYSA-N -1 0 339.735 2.448 20 5 EEBDRM O=C([O-])C[C@@H]1CSCCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001601967960 1350407272 /nfs/dbraw/zinc/40/72/72/1350407272.db2.gz TVYPYRMWUZHQOI-SECBINFHSA-N -1 0 332.328 2.265 20 5 EEBDRM O=C([O-])CSCCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001602098097 1350437271 /nfs/dbraw/zinc/43/72/71/1350437271.db2.gz MUKQHIRKJVINIV-UHFFFAOYSA-N -1 0 346.792 2.115 20 5 EEBDRM O=C([O-])Cc1cccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001602135265 1350447069 /nfs/dbraw/zinc/44/70/69/1350447069.db2.gz ZLFRKDAZZFNGIV-UHFFFAOYSA-N -1 0 343.291 2.262 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@]23CCCOC3)cc([N+](=O)[O-])c1 ZINC001602243377 1350474496 /nfs/dbraw/zinc/47/44/96/1350474496.db2.gz LSAFJSSNZXAXKJ-QGZVFWFLSA-N -1 0 348.355 2.468 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCC[C@]23CCCO3)cc([N+](=O)[O-])c1 ZINC001602247519 1350475768 /nfs/dbraw/zinc/47/57/68/1350475768.db2.gz WPZPUJYLRLQSHT-CJNGLKHVSA-N -1 0 334.328 2.125 20 5 EEBDRM O=C([O-])c1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)on1 ZINC001602281062 1350484882 /nfs/dbraw/zinc/48/48/82/1350484882.db2.gz YAAHKNSUEHXOSW-UHFFFAOYSA-N -1 0 327.199 2.012 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cccn(C3CC3)c2=O)cc([N+](=O)[O-])c1 ZINC001602285754 1350486189 /nfs/dbraw/zinc/48/61/89/1350486189.db2.gz WZWZEFXAFDVRIN-UHFFFAOYSA-N -1 0 343.295 2.042 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1F ZINC001602300785 1350488307 /nfs/dbraw/zinc/48/83/07/1350488307.db2.gz VVCPIPNFSOWTFE-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM CC(=O)N1CCC[C@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001603020682 1350622886 /nfs/dbraw/zinc/62/28/86/1350622886.db2.gz OQZKDSJEFREXSE-HZRUHFOJSA-N -1 0 347.371 2.363 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC1 ZINC001604082666 1350850382 /nfs/dbraw/zinc/85/03/82/1350850382.db2.gz QYYOAHLCYVUQBU-MRXNPFEDSA-N -1 0 331.328 2.449 20 5 EEBDRM CNc1c(C(=O)NCc2ccccc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001604254291 1350903061 /nfs/dbraw/zinc/90/30/61/1350903061.db2.gz ONINQAOCLCQHML-UHFFFAOYSA-N -1 0 329.312 2.265 20 5 EEBDRM C[C@@](NCc1nc(C(F)F)no1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604348995 1350921754 /nfs/dbraw/zinc/92/17/54/1350921754.db2.gz KMVWWDHFYHXSIM-ZDUSSCGKSA-N -1 0 342.258 2.005 20 5 EEBDRM C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604620119 1350971218 /nfs/dbraw/zinc/97/12/18/1350971218.db2.gz JXJFWOJQTRMOQK-RVPKQNPDSA-N -1 0 348.355 2.016 20 5 EEBDRM CCCC[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001605239916 1351113478 /nfs/dbraw/zinc/11/34/78/1351113478.db2.gz AXHFJKKZHUYIKX-NSHDSACASA-N -1 0 330.287 2.446 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(C(=O)[O-])co1 ZINC001605707435 1351216609 /nfs/dbraw/zinc/21/66/09/1351216609.db2.gz LTTGPEFIEIHNQV-UHFFFAOYSA-N -1 0 334.284 2.215 20 5 EEBDRM CCc1[nH]nc(C(=O)OCc2cc(C(=O)[O-])ccc2F)c1[N+](=O)[O-] ZINC001605778183 1351222919 /nfs/dbraw/zinc/22/29/19/1351222919.db2.gz ZNJRXVTVCOEHOR-UHFFFAOYSA-N -1 0 337.263 2.075 20 5 EEBDRM CN(C)c1ccnc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001606062330 1351267258 /nfs/dbraw/zinc/26/72/58/1351267258.db2.gz ZIEAJIWZMWVUMQ-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM COC(=O)[C@@]12CCC[C@@H]1N(c1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC001606516433 1351315248 /nfs/dbraw/zinc/31/52/48/1351315248.db2.gz YZAHXBUYMBZFMD-XJKSGUPXSA-N -1 0 334.328 2.215 20 5 EEBDRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001606581145 1351325999 /nfs/dbraw/zinc/32/59/99/1351325999.db2.gz KOCBEGXQZVMSGJ-UHFFFAOYSA-N -1 0 344.279 2.332 20 5 EEBDRM COC(=O)c1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)o1 ZINC001606588634 1351327457 /nfs/dbraw/zinc/32/74/57/1351327457.db2.gz AKEFCLCSYOWKNF-INIZCTEOSA-N -1 0 348.311 2.064 20 5 EEBDRM COC1(C(N)=NOCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCCC1 ZINC001606714294 1351345524 /nfs/dbraw/zinc/34/55/24/1351345524.db2.gz ONDHCYVVLOFRBW-UHFFFAOYSA-N -1 0 337.332 2.251 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001607192114 1351446779 /nfs/dbraw/zinc/44/67/79/1351446779.db2.gz YOXIWIFZFWFGQM-NWDGAFQWSA-N -1 0 349.343 2.178 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C(=O)[O-])cn2)c1 ZINC001607410726 1351489956 /nfs/dbraw/zinc/48/99/56/1351489956.db2.gz KTVLRPOGEOOHQL-UHFFFAOYSA-N -1 0 347.352 2.340 20 5 EEBDRM Cc1c(NC(=O)N2CCSC[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001607544878 1351513617 /nfs/dbraw/zinc/51/36/17/1351513617.db2.gz OTIBRJMIHZJVLX-JTQLQIEISA-N -1 0 339.373 2.185 20 5 EEBDRM Cc1c(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607546525 1351514023 /nfs/dbraw/zinc/51/40/23/1351514023.db2.gz DRTLPEAZJWUOOM-NWDGAFQWSA-N -1 0 344.327 2.077 20 5 EEBDRM Cn1cc(Cl)c(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001608115006 1351628329 /nfs/dbraw/zinc/62/83/29/1351628329.db2.gz XVPYXDLDAYOBAT-UHFFFAOYSA-N -1 0 340.723 2.057 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001608273331 1351660653 /nfs/dbraw/zinc/66/06/53/1351660653.db2.gz KGSQDEYNNMPNGM-SLEUVZQESA-N -1 0 347.371 2.283 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001608273588 1351660675 /nfs/dbraw/zinc/66/06/75/1351660675.db2.gz SIAGJLAPDUKBQK-LLVKDONJSA-N -1 0 335.360 2.188 20 5 EEBDRM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001608393682 1351685758 /nfs/dbraw/zinc/68/57/58/1351685758.db2.gz ZUNGHCBVJPZLNI-MWLCHTKSSA-N -1 0 342.735 2.000 20 5 EEBDRM O=C([O-])[C@@H]1[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1(F)F ZINC001608461979 1351699727 /nfs/dbraw/zinc/69/97/27/1351699727.db2.gz YMSOVBAPFMXKLT-KWQFWETISA-N -1 0 340.238 2.037 20 5 EEBDRM O=C(C[C@H]1C=CCCC1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886283 1367163423 /nfs/dbraw/zinc/16/34/23/1367163423.db2.gz SJWRDMLKZODOST-JTQLQIEISA-N -1 0 342.348 2.285 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@H]1CC2CCC1CC2 ZINC000815946263 1368078015 /nfs/dbraw/zinc/07/80/15/1368078015.db2.gz JZUFQCOWWROJEX-AMUVOQDHSA-N -1 0 344.414 2.288 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H](C)C1CCC1 ZINC000838791139 1372862951 /nfs/dbraw/zinc/86/29/51/1372862951.db2.gz OPPUKDRHTAMQSP-SNVBAGLBSA-N -1 0 326.374 2.144 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(F)cc1F ZINC000112160772 775484059 /nfs/dbraw/zinc/48/40/59/775484059.db2.gz LMRZCWWLSYRALZ-UHFFFAOYSA-N -1 0 348.308 2.053 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC(C(=O)C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000844216296 788935751 /nfs/dbraw/zinc/93/57/51/788935751.db2.gz YILCFILPJPEOOF-UHFFFAOYSA-N -1 0 347.249 2.036 20 5 EEBDRM Nc1cnc(N(c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C2CCC2)nc1 ZINC001174503494 797784245 /nfs/dbraw/zinc/78/42/45/797784245.db2.gz CFKJMPXZXWAUSU-UHFFFAOYSA-N -1 0 329.316 2.356 20 5 EEBDRM O=C([O-])c1ccc(Nc2ccc3c(c2)CNC(=O)C3)cc1[N+](=O)[O-] ZINC001174505840 797784934 /nfs/dbraw/zinc/78/49/34/797784934.db2.gz PVARJDVCFCUQGV-UHFFFAOYSA-N -1 0 327.296 2.209 20 5 EEBDRM Cc1ccc(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000790514782 808774457 /nfs/dbraw/zinc/77/44/57/808774457.db2.gz LULJASMYVZGGHL-UHFFFAOYSA-N -1 0 340.332 2.226 20 5 EEBDRM CN(CC(F)(F)Br)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000807863236 812359491 /nfs/dbraw/zinc/35/94/91/812359491.db2.gz YERULHPOTBZBQY-UHFFFAOYSA-N -1 0 339.092 2.360 20 5 EEBDRM O=C([O-])CCCCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001601985446 971111804 /nfs/dbraw/zinc/11/18/04/971111804.db2.gz LURHUQFYLVBSKM-UHFFFAOYSA-N -1 0 346.343 2.360 20 5 EEBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC001589602702 949199281 /nfs/dbraw/zinc/19/92/81/949199281.db2.gz AAEYSGFRFHSKPA-INIZCTEOSA-N -1 0 336.344 2.320 20 5 EEBDRM O=C([O-])c1ccc(F)c(OS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC001595235557 949390377 /nfs/dbraw/zinc/39/03/77/949390377.db2.gz APKORISDQUMJJI-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM CCOc1cc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001592210926 951310953 /nfs/dbraw/zinc/31/09/53/951310953.db2.gz BAJQODKYTOIERJ-OAHLLOKOSA-N -1 0 337.332 2.322 20 5 EEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001589310291 953783773 /nfs/dbraw/zinc/78/37/73/953783773.db2.gz IIKRFTVSZDLVTN-QWRGUYRKSA-N -1 0 345.355 2.136 20 5 EEBDRM O=C([O-])/C=C/c1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)co1 ZINC001594966506 955064850 /nfs/dbraw/zinc/06/48/50/955064850.db2.gz PNIPEYFLPCKYPT-DUXPYHPUSA-N -1 0 328.280 2.489 20 5 EEBDRM COCCN(CCC(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC001594005999 956976019 /nfs/dbraw/zinc/97/60/19/956976019.db2.gz VTZCYJJGECAARJ-UHFFFAOYSA-N -1 0 339.348 2.167 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC001594329696 958207319 /nfs/dbraw/zinc/20/73/19/958207319.db2.gz LLXMNKVDWFUTTK-CYBMUJFWSA-N -1 0 349.387 2.419 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000093433724 958245383 /nfs/dbraw/zinc/24/53/83/958245383.db2.gz OIFPWTXJKOXIPM-XPUUQOCRSA-N -1 0 330.138 2.052 20 5 EEBDRM COc1ccc(CC(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001594086473 958317829 /nfs/dbraw/zinc/31/78/29/958317829.db2.gz ULLNBFJVADJLBP-UHFFFAOYSA-N -1 0 346.295 2.188 20 5 EEBDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC001573820375 960948407 /nfs/dbraw/zinc/94/84/07/960948407.db2.gz JSJMUWBWHZHZIR-HNNXBMFYSA-N -1 0 339.323 2.033 20 5 EEBDRM Cc1ccc(CNC(=O)NC2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001574368181 961053050 /nfs/dbraw/zinc/05/30/50/961053050.db2.gz USTLTWHQSWXMJV-UHFFFAOYSA-N -1 0 335.360 2.346 20 5 EEBDRM CCOc1ccc(NC(=O)CS[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610372865 970733728 /nfs/dbraw/zinc/73/37/28/970733728.db2.gz UFVDTAJYYJKDBQ-MRVPVSSYSA-N -1 0 328.346 2.138 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001605703187 974129829 /nfs/dbraw/zinc/12/98/29/974129829.db2.gz WUBNEQPKIDTIRU-HNNXBMFYSA-N -1 0 348.286 2.055 20 5 EEBDRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001592199553 977188877 /nfs/dbraw/zinc/18/88/77/977188877.db2.gz BMVCOARIEKVMBP-AIYRYJHASA-N -1 0 343.133 2.116 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CC1 ZINC001592304660 977666237 /nfs/dbraw/zinc/66/62/37/977666237.db2.gz TZXQPIXWYYCCCP-CQSZACIVSA-N -1 0 341.751 2.204 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])n1 ZINC000799243837 978837639 /nfs/dbraw/zinc/83/76/39/978837639.db2.gz QDHXOKHBWUHLPC-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM C[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])N1CCCCC1=O ZINC001592729728 979244983 /nfs/dbraw/zinc/24/49/83/979244983.db2.gz PYTVCOQYSRHFQF-LLVKDONJSA-N -1 0 335.360 2.035 20 5 EEBDRM O=C([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000843036045 979328604 /nfs/dbraw/zinc/32/86/04/979328604.db2.gz JYTUWELTJKXXGF-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM O=C([O-])C1=CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000864162050 979778698 /nfs/dbraw/zinc/77/86/98/979778698.db2.gz FVYDQHJASNSSFZ-ZDUSSCGKSA-N -1 0 345.355 2.098 20 5 EEBDRM CC[C@@H](O)CCCNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595328756 980557272 /nfs/dbraw/zinc/55/72/72/980557272.db2.gz VFKNOGQURDEDND-LLVKDONJSA-N -1 0 339.348 2.274 20 5 EEBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)C(=O)[O-] ZINC001595987452 983238771 /nfs/dbraw/zinc/23/87/71/983238771.db2.gz HEJVHKBLLLCBKO-MRVPVSSYSA-N -1 0 341.341 2.296 20 5 EEBDRM CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)c1ncc(C(=O)[O-])s1 ZINC001596165295 983529391 /nfs/dbraw/zinc/52/93/91/983529391.db2.gz PPZPTOVTWBWPDJ-UHFFFAOYSA-N -1 0 336.329 2.120 20 5 EEBDRM CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(C)(C)C(=O)[O-] ZINC001596167522 983532537 /nfs/dbraw/zinc/53/25/37/983532537.db2.gz UNBBOJBYWZYIAX-UHFFFAOYSA-N -1 0 335.360 2.494 20 5 EEBDRM CCNc1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1[N+](=O)[O-] ZINC001596501465 984255305 /nfs/dbraw/zinc/25/53/05/984255305.db2.gz VRVFACGLPCAUIU-UHFFFAOYSA-N -1 0 332.316 2.316 20 5 EEBDRM CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001589066278 985201557 /nfs/dbraw/zinc/20/15/57/985201557.db2.gz KYPOFIBKVXXMAX-UHFFFAOYSA-N -1 0 341.751 2.369 20 5 EEBDRM Cc1c(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)cccc1[N+](=O)[O-] ZINC001599978520 986128863 /nfs/dbraw/zinc/12/88/63/986128863.db2.gz HEFGOZLPWWFKBZ-KRWDZBQOSA-N -1 0 343.339 2.418 20 5 EEBDRM C[C@H](C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589346935 986292438 /nfs/dbraw/zinc/29/24/38/986292438.db2.gz YPQCAZNABVIHQN-CPCISQLKSA-N -1 0 346.261 2.158 20 5 EEBDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001589531946 987209294 /nfs/dbraw/zinc/20/92/94/987209294.db2.gz LPFMZLCBYBWLOF-QMMMGPOBSA-N -1 0 330.300 2.012 20 5 EEBDRM CC(C)(C(=O)NC[C@H](CC1CC1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001589568161 987336266 /nfs/dbraw/zinc/33/62/66/987336266.db2.gz YXCBPOHZSIIGBV-LBPRGKRZSA-N -1 0 334.372 2.490 20 5 EEBDRM CC(C)(CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)CC(=O)[O-] ZINC001590713565 990469259 /nfs/dbraw/zinc/46/92/59/990469259.db2.gz QHGMQFQRCPJHRZ-UHFFFAOYSA-N -1 0 333.344 2.236 20 5 EEBDRM CN(CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccccc1[N+](=O)[O-] ZINC001598396704 991661478 /nfs/dbraw/zinc/66/14/78/991661478.db2.gz GDGXIQZSGIGCLI-UHFFFAOYSA-N -1 0 343.339 2.364 20 5 EEBDRM C[S@](=O)[C@@H]1CCC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001599775801 992300970 /nfs/dbraw/zinc/30/09/70/992300970.db2.gz SNIMGZGUJFZRTO-UTSGRSJNSA-N -1 0 326.374 2.395 20 5 EEBDRM CN(CCOC(=O)c1cc(C(=O)[O-])co1)c1ccc([N+](=O)[O-])cc1 ZINC001598496949 992380248 /nfs/dbraw/zinc/38/02/48/992380248.db2.gz QKSAKZZNBDWFMP-UHFFFAOYSA-N -1 0 334.284 2.179 20 5 EEBDRM COc1ccc(OC(=O)c2cccc(CC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001599601091 993815877 /nfs/dbraw/zinc/81/58/77/993815877.db2.gz WYAJKWOROSOWFD-UHFFFAOYSA-N -1 0 331.280 2.450 20 5 EEBDRM COC(=O)C[C@@H]1CC[C@H](Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001598870125 996733963 /nfs/dbraw/zinc/73/39/63/996733963.db2.gz ISYUABCRLCIGLF-ZJUUUORDSA-N -1 0 337.332 2.140 20 5 EEBDRM COc1cc(C(=O)OCc2ccc(C(=O)[O-])o2)c([N+](=O)[O-])cc1F ZINC001599388475 996988845 /nfs/dbraw/zinc/98/88/45/996988845.db2.gz VKHWWLQXTBMCTL-UHFFFAOYSA-N -1 0 339.231 2.391 20 5 EEBDRM COc1c(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)cccc1[N+](=O)[O-] ZINC001599327924 997696633 /nfs/dbraw/zinc/69/66/33/997696633.db2.gz DUKVNPPNTGAFGG-UHFFFAOYSA-N -1 0 331.284 2.257 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000191903392 529769679 /nfs/dbraw/zinc/76/96/79/529769679.db2.gz YKRBUXXVOFRMIF-UHFFFAOYSA-N -1 0 342.402 2.426 20 5 EEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000236580202 242290467 /nfs/dbraw/zinc/29/04/67/242290467.db2.gz ZBJUTPBIVGBOIX-UHFFFAOYSA-N -1 0 346.343 2.154 20 5 EEBDRM O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000456335332 244218756 /nfs/dbraw/zinc/21/87/56/244218756.db2.gz VYRNHCVXQFPPAP-MLGOLLRUSA-N -1 0 343.339 2.346 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000262734202 245150328 /nfs/dbraw/zinc/15/03/28/245150328.db2.gz VCBGYNPGSVUIDS-AXFHLTTASA-N -1 0 338.385 2.445 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262927817 245254847 /nfs/dbraw/zinc/25/48/47/245254847.db2.gz KZUPQHKZAOHAMG-JTQLQIEISA-N -1 0 326.736 2.256 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCC(=O)[O-] ZINC000262934889 245258030 /nfs/dbraw/zinc/25/80/30/245258030.db2.gz IEQNUBZLKHYTKY-JTQLQIEISA-N -1 0 326.374 2.399 20 5 EEBDRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492115246 246306677 /nfs/dbraw/zinc/30/66/77/246306677.db2.gz DKWMQSXCUGTZQW-WBTMPAOCSA-N -1 0 348.355 2.090 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000013225299 211536078 /nfs/dbraw/zinc/53/60/78/211536078.db2.gz PGQFUQXDRFOVOJ-QEJZJMRPSA-N -1 0 332.356 2.382 20 5 EEBDRM Cc1cnc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)s1 ZINC000271273542 256227494 /nfs/dbraw/zinc/22/74/94/256227494.db2.gz MKVHCIYIRXGCDL-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM CSc1ccc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000262447881 152280367 /nfs/dbraw/zinc/28/03/67/152280367.db2.gz HLEOZLPNNQFHQX-ZETCQYMHSA-N -1 0 334.300 2.155 20 5 EEBDRM C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000263185451 152396953 /nfs/dbraw/zinc/39/69/53/152396953.db2.gz KRIMHRZIRRJWJQ-ZETCQYMHSA-N -1 0 345.149 2.150 20 5 EEBDRM CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000354151975 153140540 /nfs/dbraw/zinc/14/05/40/153140540.db2.gz ZECIVPKEZLCFPP-GFCCVEGCSA-N -1 0 344.371 2.365 20 5 EEBDRM Cn1c(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc2ccccc21 ZINC000354174942 153155259 /nfs/dbraw/zinc/15/52/59/153155259.db2.gz RLBLJFKPGIJWDD-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM O=C([O-])COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000325618924 160543050 /nfs/dbraw/zinc/54/30/50/160543050.db2.gz SHVUGBJSFODQIB-UHFFFAOYSA-N -1 0 330.296 2.239 20 5 EEBDRM O=C(N[C@H]1CCN(c2ccccc2F)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000345213430 161282196 /nfs/dbraw/zinc/28/21/96/161282196.db2.gz ZTLDMBDOUHMEDI-LBPRGKRZSA-N -1 0 345.330 2.448 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000362811574 164803201 /nfs/dbraw/zinc/80/32/01/164803201.db2.gz CWEPSYGPFPGACO-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM NC(=O)c1ccccc1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000190999146 268592452 /nfs/dbraw/zinc/59/24/52/268592452.db2.gz HCKLGMBDUQFWNG-UHFFFAOYSA-N -1 0 349.730 2.234 20 5 EEBDRM CC[C@H](C)c1nnc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])[nH]1 ZINC000278006340 269206210 /nfs/dbraw/zinc/20/62/10/269206210.db2.gz XEAMJTAGVYSPBL-IUCAKERBSA-N -1 0 333.348 2.423 20 5 EEBDRM C[C@H](CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000237368679 274093450 /nfs/dbraw/zinc/09/34/50/274093450.db2.gz NWALGLSZNXCXSC-KFEJWOFMSA-N -1 0 336.319 2.459 20 5 EEBDRM CC[C@H](C)[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000236955010 287724041 /nfs/dbraw/zinc/72/40/41/287724041.db2.gz AUKGOEMFQWCCNG-VFZGTOFNSA-N -1 0 333.344 2.234 20 5 EEBDRM O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000290924586 275253017 /nfs/dbraw/zinc/25/30/17/275253017.db2.gz MVKMLELNRQGUFW-RDTXWAMCSA-N -1 0 342.351 2.196 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)[N-]OCCC(F)(F)F ZINC000291198009 275281069 /nfs/dbraw/zinc/28/10/69/275281069.db2.gz GOCJHFVCKGGNHL-UHFFFAOYSA-N -1 0 349.265 2.096 20 5 EEBDRM CCOc1cc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)on1 ZINC000298047849 294405329 /nfs/dbraw/zinc/40/53/29/294405329.db2.gz PVWZKRFRWLKEEU-UHFFFAOYSA-N -1 0 349.299 2.329 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000263449158 297880400 /nfs/dbraw/zinc/88/04/00/297880400.db2.gz RXNIDIQEFRAYEV-CQSZACIVSA-N -1 0 344.726 2.253 20 5 EEBDRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000323418796 311599444 /nfs/dbraw/zinc/59/94/44/311599444.db2.gz RZXFZYKGMXZMAP-QMMMGPOBSA-N -1 0 339.201 2.261 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCCCC(=O)[O-] ZINC000416429233 313220754 /nfs/dbraw/zinc/22/07/54/313220754.db2.gz XRRPTBPWGMNUKQ-UHFFFAOYSA-N -1 0 330.362 2.055 20 5 EEBDRM CCc1cc(N[C@@H](C)CC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000416427558 313221170 /nfs/dbraw/zinc/22/11/70/313221170.db2.gz QBFWAAIFZBIXLP-JTQLQIEISA-N -1 0 330.344 2.311 20 5 EEBDRM Cn1ccc2c(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cccc2c1=O ZINC000436502515 314968571 /nfs/dbraw/zinc/96/85/71/314968571.db2.gz HPBDJQDYMLKBDC-UHFFFAOYSA-N -1 0 339.307 2.405 20 5 EEBDRM CNC(=O)Nc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1F ZINC000436611217 314979964 /nfs/dbraw/zinc/97/99/64/314979964.db2.gz ZCXNWZNYIQAXLC-UHFFFAOYSA-N -1 0 348.290 2.443 20 5 EEBDRM Cc1[nH]nc2nc(C)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c12 ZINC000436703148 314990205 /nfs/dbraw/zinc/99/02/05/314990205.db2.gz KYZSPXPBVJECMB-UHFFFAOYSA-N -1 0 327.300 2.441 20 5 EEBDRM O=C(N[C@H](CO)c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436894385 315010051 /nfs/dbraw/zinc/01/00/51/315010051.db2.gz SIDWTVXQSXIBNJ-GFCCVEGCSA-N -1 0 338.266 2.042 20 5 EEBDRM COc1ccc(OC)c(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436916004 315011625 /nfs/dbraw/zinc/01/16/25/315011625.db2.gz RLMRTTMSOCFVQU-UHFFFAOYSA-N -1 0 346.339 2.290 20 5 EEBDRM CNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000436955110 315015841 /nfs/dbraw/zinc/01/58/41/315015841.db2.gz YVHXLAGASFNEPA-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000436999470 315022229 /nfs/dbraw/zinc/02/22/29/315022229.db2.gz FJKIHJJENVDOJK-UHFFFAOYSA-N -1 0 336.325 2.304 20 5 EEBDRM CN1C[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000444549454 315307233 /nfs/dbraw/zinc/30/72/33/315307233.db2.gz QDRJOBXOZXZAQS-GFCCVEGCSA-N -1 0 341.367 2.339 20 5 EEBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445211604 315351948 /nfs/dbraw/zinc/35/19/48/315351948.db2.gz KQRIPQDRJZAUOB-UHFFFAOYSA-N -1 0 327.655 2.446 20 5 EEBDRM Cc1cc(N[C@H]2CCO[C@]3(CCOC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000515302247 316477877 /nfs/dbraw/zinc/47/78/77/316477877.db2.gz NQEAWOMOLGGCSM-MEDUHNTESA-N -1 0 336.344 2.351 20 5 EEBDRM CNc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000539605279 318057982 /nfs/dbraw/zinc/05/79/82/318057982.db2.gz PESUBSLRFLCMPD-CQSZACIVSA-N -1 0 329.312 2.192 20 5 EEBDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000556800505 318648362 /nfs/dbraw/zinc/64/83/62/318648362.db2.gz NXPJQTXQABWTAM-UHFFFAOYSA-N -1 0 340.299 2.041 20 5 EEBDRM CN(CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])CC(F)(F)F ZINC000563624842 319031799 /nfs/dbraw/zinc/03/17/99/319031799.db2.gz OJXJAHQNHFMWCN-UHFFFAOYSA-N -1 0 335.282 2.128 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000565040365 319142569 /nfs/dbraw/zinc/14/25/69/319142569.db2.gz AELXKQADOXBBMY-ZIAGYGMSSA-N -1 0 344.371 2.424 20 5 EEBDRM Cc1cc(N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)ccc1[N+](=O)[O-] ZINC000566297177 319271526 /nfs/dbraw/zinc/27/15/26/319271526.db2.gz JUONBXWQMIKTEK-LBPRGKRZSA-N -1 0 331.332 2.034 20 5 EEBDRM C[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567239749 319362455 /nfs/dbraw/zinc/36/24/55/319362455.db2.gz ZYOHBKDTEBBXQT-NXEZZACHSA-N -1 0 342.373 2.008 20 5 EEBDRM C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000567616596 319397658 /nfs/dbraw/zinc/39/76/58/319397658.db2.gz FOBGQUDDUZHKHA-NSHDSACASA-N -1 0 336.344 2.067 20 5 EEBDRM CNc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC000570578557 319678288 /nfs/dbraw/zinc/67/82/88/319678288.db2.gz VRDQRHGLDVRZNB-UHFFFAOYSA-N -1 0 335.360 2.496 20 5 EEBDRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000571003783 319717011 /nfs/dbraw/zinc/71/70/11/319717011.db2.gz VDGBQVVKZIHUNW-ZDUSSCGKSA-N -1 0 343.339 2.196 20 5 EEBDRM O=C(NCCc1nc2ccccc2o1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000571081048 319724533 /nfs/dbraw/zinc/72/45/33/319724533.db2.gz OTBPSPDCKDWKJM-UHFFFAOYSA-N -1 0 327.296 2.414 20 5 EEBDRM CCOc1cccc(N2CCC[C@@](COC)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000576946965 320219016 /nfs/dbraw/zinc/21/90/16/320219016.db2.gz DZYPMKKOQRXLLY-MRXNPFEDSA-N -1 0 338.360 2.311 20 5 EEBDRM CC[C@@H](C)C[C@H](NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000577006754 320223906 /nfs/dbraw/zinc/22/39/06/320223906.db2.gz LDAVTBWUUCNWEG-KOLCDFICSA-N -1 0 344.389 2.071 20 5 EEBDRM CCc1cc(NC[C@H](C)C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000577518495 320260780 /nfs/dbraw/zinc/26/07/80/320260780.db2.gz VQZQMXBESMSAAP-JTQLQIEISA-N -1 0 330.344 2.169 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H](c3ccnn3C)C2)n1 ZINC000579112545 323781028 /nfs/dbraw/zinc/78/10/28/323781028.db2.gz DWXQOQVJTMEMTK-NSHDSACASA-N -1 0 345.359 2.114 20 5 EEBDRM C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@]1(C)C(=O)[O-] ZINC000580449960 324067415 /nfs/dbraw/zinc/06/74/15/324067415.db2.gz DTZCZSHMTKTFGY-BMLIUANNSA-N -1 0 345.355 2.188 20 5 EEBDRM Cc1ccccc1C[C@@H](CO)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581886880 324336113 /nfs/dbraw/zinc/33/61/13/324336113.db2.gz VNTNXMAESVKFMV-LBPRGKRZSA-N -1 0 331.328 2.012 20 5 EEBDRM C[S@](=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000184788397 465026109 /nfs/dbraw/zinc/02/61/09/465026109.db2.gz MNRUCDQDQQLODQ-QHCPKHFHSA-N -1 0 334.353 2.431 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000336860219 465056565 /nfs/dbraw/zinc/05/65/65/465056565.db2.gz OVZUKYAEOXFAAB-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM O=C(NCc1ccc(-n2cccn2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356320966 465311190 /nfs/dbraw/zinc/31/11/90/465311190.db2.gz FKIQYFWVYBTGDJ-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@H]2CCC[C@@H]21 ZINC000568093865 468273260 /nfs/dbraw/zinc/27/32/60/468273260.db2.gz QAOYGZLBVLGLAW-JQWIXIFHSA-N -1 0 326.736 2.347 20 5 EEBDRM Cc1nncn1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000133628179 462953161 /nfs/dbraw/zinc/95/31/61/462953161.db2.gz TUGGAVCXAGVKKB-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000121244039 463103331 /nfs/dbraw/zinc/10/33/31/463103331.db2.gz QIEVOXIDPPLNHO-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM COc1cccnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000069676830 463301104 /nfs/dbraw/zinc/30/11/04/463301104.db2.gz RKURAAXFNIJAOZ-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM COc1cccnc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000069676556 463301214 /nfs/dbraw/zinc/30/12/14/463301214.db2.gz LSVSVYWWWUTASF-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnc(CC)nc1 ZINC000161889431 463466463 /nfs/dbraw/zinc/46/64/63/463466463.db2.gz AIZFUFWNVQVMEJ-UHFFFAOYSA-N -1 0 336.373 2.310 20 5 EEBDRM Cc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000083955873 463568446 /nfs/dbraw/zinc/56/84/46/463568446.db2.gz PQYCAZPYPLOPHK-UHFFFAOYSA-N -1 0 334.766 2.209 20 5 EEBDRM Cn1c(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc2ccccc21 ZINC000164512712 463625460 /nfs/dbraw/zinc/62/54/60/463625460.db2.gz BPIDMUOYXAZAHH-UHFFFAOYSA-N -1 0 326.312 2.117 20 5 EEBDRM CCc1nnc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000152306826 463674239 /nfs/dbraw/zinc/67/42/39/463674239.db2.gz XVUGRXHKAVEUSR-UHFFFAOYSA-N -1 0 342.402 2.426 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000261669068 463821561 /nfs/dbraw/zinc/82/15/61/463821561.db2.gz LKGZJTLVNOXWCY-ZDUSSCGKSA-N -1 0 346.261 2.382 20 5 EEBDRM COCCCONC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000287177000 463823818 /nfs/dbraw/zinc/82/38/18/463823818.db2.gz XQEDSSPKPNYOFC-UHFFFAOYSA-N -1 0 335.263 2.286 20 5 EEBDRM Cc1csc(N2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)n1 ZINC000269130178 463884362 /nfs/dbraw/zinc/88/43/62/463884362.db2.gz KVSZYRSJWQWRRH-UHFFFAOYSA-N -1 0 348.384 2.028 20 5 EEBDRM O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000269155658 463892485 /nfs/dbraw/zinc/89/24/85/463892485.db2.gz RNETXECMXXZQLN-XHDPSFHLSA-N -1 0 338.385 2.085 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)o2)ccc1[N+](=O)[O-] ZINC000194788845 463928232 /nfs/dbraw/zinc/92/82/32/463928232.db2.gz NONOIBWFZIWFSJ-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM O=C(Nc1n[nH]c(-c2ccccc2F)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356520843 465432963 /nfs/dbraw/zinc/43/29/63/465432963.db2.gz ZFUFRUIFBYIZCU-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM O=C([O-])C1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCSCC1 ZINC000262171281 463964811 /nfs/dbraw/zinc/96/48/11/463964811.db2.gz NULPXAFCRVSZBQ-UHFFFAOYSA-N -1 0 344.776 2.328 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263208957 464063160 /nfs/dbraw/zinc/06/31/60/464063160.db2.gz ILPIWKHEHBUONB-ZBEGNZNMSA-N -1 0 335.360 2.470 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000263311111 464082038 /nfs/dbraw/zinc/08/20/38/464082038.db2.gz HYVSFZJOVXMGIX-WDEREUQCSA-N -1 0 336.344 2.176 20 5 EEBDRM C[C@H](CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000263489293 464115439 /nfs/dbraw/zinc/11/54/39/464115439.db2.gz OAANCWPZEKERFE-SSDOTTSWSA-N -1 0 347.274 2.381 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cnn(CC(F)F)c2)cccc1[N+](=O)[O-] ZINC000188115657 464203253 /nfs/dbraw/zinc/20/32/53/464203253.db2.gz BUBIXGDAMJBTSB-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM COCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000281127475 464342064 /nfs/dbraw/zinc/34/20/64/464342064.db2.gz IFKZXVSFLOZIIN-UHFFFAOYSA-N -1 0 340.760 2.092 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000593921231 468434839 /nfs/dbraw/zinc/43/48/39/468434839.db2.gz RHZOEOKDIRKESS-UHFFFAOYSA-N -1 0 338.316 2.211 20 5 EEBDRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000299036558 465569941 /nfs/dbraw/zinc/56/99/41/465569941.db2.gz IZGMPIZLZKCCDL-UHFFFAOYSA-N -1 0 338.389 2.363 20 5 EEBDRM Cn1nccc1[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000338314116 466016116 /nfs/dbraw/zinc/01/61/16/466016116.db2.gz HLROCNVRBFKOMX-NSHDSACASA-N -1 0 330.344 2.054 20 5 EEBDRM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000353919264 466255846 /nfs/dbraw/zinc/25/58/46/466255846.db2.gz ZBLKOWBQIVYTRI-UHFFFAOYSA-N -1 0 342.352 2.456 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cccc1[N+](=O)[O-] ZINC000314516915 466551954 /nfs/dbraw/zinc/55/19/54/466551954.db2.gz QIEIPGHEXFQWIN-UHFFFAOYSA-N -1 0 342.354 2.464 20 5 EEBDRM CCOc1ccc(C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000378478184 467316696 /nfs/dbraw/zinc/31/66/96/467316696.db2.gz SPLRJUUNNQTMQC-UHFFFAOYSA-N -1 0 336.344 2.320 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000392646472 467427785 /nfs/dbraw/zinc/42/77/85/467427785.db2.gz RRBWBQNUULLZNF-MRXNPFEDSA-N -1 0 331.328 2.071 20 5 EEBDRM C[S@@](=O)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436714435 467551896 /nfs/dbraw/zinc/55/18/96/467551896.db2.gz UFHMWJLXAIVCIQ-XMMPIXPASA-N -1 0 348.380 2.109 20 5 EEBDRM O=C(Nc1cccc(-c2c[nH]nn2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000442673105 467577026 /nfs/dbraw/zinc/57/70/26/467577026.db2.gz SKQTXENBSTZFCH-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CC(=O)N[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)C ZINC000450401284 467843550 /nfs/dbraw/zinc/84/35/50/467843550.db2.gz IAJGUURSOYLJDU-GFCCVEGCSA-N -1 0 343.767 2.443 20 5 EEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493287893 467878920 /nfs/dbraw/zinc/87/89/20/467878920.db2.gz MXPMZGNTAYBCKS-XTLDWESDSA-N -1 0 348.330 2.459 20 5 EEBDRM Cc1cccc2c1OC[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000515655097 468000650 /nfs/dbraw/zinc/00/06/50/468000650.db2.gz DMNQRJSRFLLADY-NSHDSACASA-N -1 0 329.312 2.412 20 5 EEBDRM C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])Cn1cccn1 ZINC000516653139 468040443 /nfs/dbraw/zinc/04/04/43/468040443.db2.gz VRSGRUSVULUGRW-VIFPVBQESA-N -1 0 338.751 2.216 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@]2(C)CCO[C@@H]2C2CC2)n1 ZINC000574920031 468133062 /nfs/dbraw/zinc/13/30/62/468133062.db2.gz VPVUHLLGESXTBA-CZUORRHYSA-N -1 0 335.360 2.614 20 5 EEBDRM CN1Cc2ccccc2[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000533879956 468226211 /nfs/dbraw/zinc/22/62/11/468226211.db2.gz SJKRVRHBZKCQJM-CQSZACIVSA-N -1 0 327.340 2.217 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H]2OCC[C@@H]2C1 ZINC000567901831 468234337 /nfs/dbraw/zinc/23/43/37/468234337.db2.gz SNJRYRDLVNKQSP-PELKAZGASA-N -1 0 326.736 2.205 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1C[C@H](CO)Cc2ccccc21 ZINC000590405742 468247965 /nfs/dbraw/zinc/24/79/65/468247965.db2.gz HVXGJYLUZDZGTM-LLVKDONJSA-N -1 0 328.324 2.112 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000578769843 468254606 /nfs/dbraw/zinc/25/46/06/468254606.db2.gz AEJBYTSWEQHQBS-MFKMUULPSA-N -1 0 336.344 2.176 20 5 EEBDRM CC(C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000594540996 468617595 /nfs/dbraw/zinc/61/75/95/468617595.db2.gz ORBPRRLAASDCLO-GFCCVEGCSA-N -1 0 335.360 2.256 20 5 EEBDRM CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000570393156 468632555 /nfs/dbraw/zinc/63/25/55/468632555.db2.gz CEPVDBPCOZMNGV-SNVBAGLBSA-N -1 0 344.389 2.396 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000594672633 468648704 /nfs/dbraw/zinc/64/87/04/468648704.db2.gz BKCXKFPEAXTWTN-UHFFFAOYSA-N -1 0 344.389 2.025 20 5 EEBDRM CSC[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877126 468673523 /nfs/dbraw/zinc/67/35/23/468673523.db2.gz RTDXTTZJMHMKAS-LKFCYVNXSA-N -1 0 326.374 2.010 20 5 EEBDRM CN(C1CC(C)(C)C1)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570932893 468716249 /nfs/dbraw/zinc/71/62/49/468716249.db2.gz PEPHCTBOUSDZAB-UHFFFAOYSA-N -1 0 342.373 2.102 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2ccccn2n1 ZINC000560453305 468810434 /nfs/dbraw/zinc/81/04/34/468810434.db2.gz KFSYESQZZWXMFS-UHFFFAOYSA-N -1 0 346.368 2.606 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000584234600 468826512 /nfs/dbraw/zinc/82/65/12/468826512.db2.gz LARABGRUGFWTAR-VHSXEESVSA-N -1 0 331.328 2.239 20 5 EEBDRM Cn1cc([C@H]2N(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2(C)C)cn1 ZINC000560568306 468830986 /nfs/dbraw/zinc/83/09/86/468830986.db2.gz WYPNMRBHEQEEJJ-CQSZACIVSA-N -1 0 330.344 2.257 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000592969198 468831301 /nfs/dbraw/zinc/83/13/01/468831301.db2.gz DNNKKYOUEGZRAS-ZDUSSCGKSA-N -1 0 347.302 2.405 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@@H](c3ccsc3)C2)c1[N+](=O)[O-] ZINC000592976245 468831808 /nfs/dbraw/zinc/83/18/08/468831808.db2.gz QMKGLXVOWLRSRS-LLVKDONJSA-N -1 0 335.341 2.327 20 5 EEBDRM CC(C)[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccnn1C ZINC000592978432 468832458 /nfs/dbraw/zinc/83/24/58/468832458.db2.gz CRCIGPUVNOFOHR-NSHDSACASA-N -1 0 333.348 2.273 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCN(c3ccccn3)C2)n1 ZINC000592976832 468832553 /nfs/dbraw/zinc/83/25/53/468832553.db2.gz AKTZDEYZTPFWND-LLVKDONJSA-N -1 0 343.343 2.082 20 5 EEBDRM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598478480 468879821 /nfs/dbraw/zinc/87/98/21/468879821.db2.gz GLCXRYJTBSTWNM-CJNGLKHVSA-N -1 0 336.344 2.152 20 5 EEBDRM C[C@H]1OCC[C@@]12CN(c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000563214486 469202104 /nfs/dbraw/zinc/20/21/04/469202104.db2.gz WQKZASIJXOXMPY-GLKRBJQHSA-N -1 0 336.344 2.066 20 5 EEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000611535407 469274416 /nfs/dbraw/zinc/27/44/16/469274416.db2.gz MLGYPLUOBSXZSZ-RDDDGLTNSA-N -1 0 334.250 2.092 20 5 EEBDRM COC(=O)C[C@@](C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccncc1 ZINC000616139189 469378700 /nfs/dbraw/zinc/37/87/00/469378700.db2.gz HQBQHRIUTARRNU-QGZVFWFLSA-N -1 0 345.355 2.264 20 5 EEBDRM COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCC(C)(C)C(=O)[O-] ZINC000424369061 537014301 /nfs/dbraw/zinc/01/43/01/537014301.db2.gz AZESZWUTFSFFRE-UHFFFAOYSA-N -1 0 333.344 2.486 20 5 EEBDRM COc1cc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])ccc1NC(C)=O ZINC000738080966 577998766 /nfs/dbraw/zinc/99/87/66/577998766.db2.gz HNPFLUQQGBNNBU-UHFFFAOYSA-N -1 0 346.299 2.399 20 5 EEBDRM Cc1[nH]c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC000738153675 578001525 /nfs/dbraw/zinc/00/15/25/578001525.db2.gz DBFRYQYBVMMOLR-UHFFFAOYSA-N -1 0 347.327 2.047 20 5 EEBDRM Cn1c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000739012366 576015860 /nfs/dbraw/zinc/01/58/60/576015860.db2.gz AFQPBPDWCUIQAT-UHFFFAOYSA-N -1 0 347.327 2.429 20 5 EEBDRM Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773036934 577311929 /nfs/dbraw/zinc/31/19/29/577311929.db2.gz UQEDTGNIARAOMX-CQSZACIVSA-N -1 0 328.328 2.206 20 5 EEBDRM Cc1cc(F)cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC000766815037 577525214 /nfs/dbraw/zinc/52/52/14/577525214.db2.gz FRWNZFZJYWUVTO-CQSZACIVSA-N -1 0 346.314 2.468 20 5 EEBDRM CC1(CC(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000759454406 577643168 /nfs/dbraw/zinc/64/31/68/577643168.db2.gz GHNJAOOUBGSEFO-UHFFFAOYSA-N -1 0 332.765 2.243 20 5 EEBDRM CCC(=CC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])CC ZINC000759529926 577644899 /nfs/dbraw/zinc/64/48/99/577644899.db2.gz FFELWEDJIYCTJT-UHFFFAOYSA-N -1 0 342.373 2.155 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]c1C1CC1 ZINC000760318377 577660586 /nfs/dbraw/zinc/66/05/86/577660586.db2.gz DMIVNPYGVVYNBT-UHFFFAOYSA-N -1 0 340.336 2.444 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1noc(CCCC(=O)[O-])n1 ZINC000738665168 578023233 /nfs/dbraw/zinc/02/32/33/578023233.db2.gz STRDRYKEZUFORL-UHFFFAOYSA-N -1 0 349.299 2.051 20 5 EEBDRM Cc1nn(CCC(=O)OCc2ccc(C(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000738922986 578031188 /nfs/dbraw/zinc/03/11/88/578031188.db2.gz OYJOIXIXSGCBHG-UHFFFAOYSA-N -1 0 347.327 2.240 20 5 EEBDRM NC(=O)c1ccc(CNc2cccc(F)c2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000739178637 578042719 /nfs/dbraw/zinc/04/27/19/578042719.db2.gz YVXXFIKZVCNSBF-UHFFFAOYSA-N -1 0 333.275 2.143 20 5 EEBDRM O=C([O-])c1cc(NC(=O)Cc2ccc3c(c2)CCO3)cc([N+](=O)[O-])c1 ZINC000739347330 578049372 /nfs/dbraw/zinc/04/93/72/578049372.db2.gz ZWMFKTVICWBNJW-UHFFFAOYSA-N -1 0 342.307 2.409 20 5 EEBDRM O=C([O-])Cc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000739890047 578071802 /nfs/dbraw/zinc/07/18/02/578071802.db2.gz XTITYZQRRUHQAC-UHFFFAOYSA-N -1 0 343.338 2.051 20 5 EEBDRM O=C([O-])c1ccc(-c2nnn(Cc3csc([N+](=O)[O-])c3)n2)cc1 ZINC000740099987 578080797 /nfs/dbraw/zinc/08/07/97/578080797.db2.gz MICSUKCGOHIQIF-UHFFFAOYSA-N -1 0 331.313 2.056 20 5 EEBDRM CC(C)(C(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000736223267 578188155 /nfs/dbraw/zinc/18/81/55/578188155.db2.gz FZKULMAXXKAXEH-GFCCVEGCSA-N -1 0 335.360 2.131 20 5 EEBDRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000736427217 578203341 /nfs/dbraw/zinc/20/33/41/578203341.db2.gz RJTPGCQJARTSRZ-NSHDSACASA-N -1 0 328.296 2.459 20 5 EEBDRM CCCC(=O)N1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736948186 578230539 /nfs/dbraw/zinc/23/05/39/578230539.db2.gz JQXDOSQUZQSVTD-ZDUSSCGKSA-N -1 0 349.343 2.023 20 5 EEBDRM CCOc1ccc(NC(=O)CSC[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000737203585 578243531 /nfs/dbraw/zinc/24/35/31/578243531.db2.gz PLWBGUZSOLKRLN-VIFPVBQESA-N -1 0 342.373 2.386 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000737247664 578246273 /nfs/dbraw/zinc/24/62/73/578246273.db2.gz NIMQQRNIUKPJJC-UHFFFAOYSA-N -1 0 332.316 2.150 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000819385506 597051929 /nfs/dbraw/zinc/05/19/29/597051929.db2.gz VPJZWMMBNIZFNQ-NSHDSACASA-N -1 0 349.343 2.243 20 5 EEBDRM Cc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000832862743 600780584 /nfs/dbraw/zinc/78/05/84/600780584.db2.gz GCMZSYKJKJWCRU-CYBMUJFWSA-N -1 0 343.339 2.084 20 5 EEBDRM Cn1c(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000833039249 601581742 /nfs/dbraw/zinc/58/17/42/601581742.db2.gz RJPZLCUOHSQCTB-LBPRGKRZSA-N -1 0 337.719 2.142 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000833115552 601742760 /nfs/dbraw/zinc/74/27/60/601742760.db2.gz SRDAGKFBNKLDKV-HNNXBMFYSA-N -1 0 348.286 2.055 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(CC(F)F)CC2)cc1Cl ZINC000833307784 602254117 /nfs/dbraw/zinc/25/41/17/602254117.db2.gz SLQNTPVCDWOLNV-UHFFFAOYSA-N -1 0 349.721 2.334 20 5 EEBDRM Cc1cc(N(C)Cc2cccc(C(N)=O)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888069 602314780 /nfs/dbraw/zinc/31/47/80/602314780.db2.gz DAUWTRXVRRVXRJ-UHFFFAOYSA-N -1 0 343.339 2.337 20 5 EEBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000827006784 604436872 /nfs/dbraw/zinc/43/68/72/604436872.db2.gz OUYGOFDUTVBXSU-LBPRGKRZSA-N -1 0 344.751 2.198 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000821509535 604529777 /nfs/dbraw/zinc/52/97/77/604529777.db2.gz OPCHQXBNZPJXEJ-NSHDSACASA-N -1 0 329.150 2.406 20 5 EEBDRM CC[C@@](C)(NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165254112 604652783 /nfs/dbraw/zinc/65/27/83/604652783.db2.gz CAUZJPCVBUHJOT-GFCCVEGCSA-N -1 0 345.149 2.340 20 5 EEBDRM CCn1c(SC[C@@H](F)C(=O)[O-])nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000830415929 604752913 /nfs/dbraw/zinc/75/29/13/604752913.db2.gz FQYRHTKWZTURQM-SNVBAGLBSA-N -1 0 340.336 2.388 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)COc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000833114879 604807373 /nfs/dbraw/zinc/80/73/73/604807373.db2.gz VVYHPKUHHSGASC-UHFFFAOYSA-N -1 0 334.259 2.450 20 5 EEBDRM CC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833420412 605182514 /nfs/dbraw/zinc/18/25/14/605182514.db2.gz JOFKKGFUXZWGSX-GFCCVEGCSA-N -1 0 349.387 2.424 20 5 EEBDRM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833618278 605190892 /nfs/dbraw/zinc/19/08/92/605190892.db2.gz NCEJAQSBNHJBJU-MFKMUULPSA-N -1 0 347.371 2.352 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000833782649 605251323 /nfs/dbraw/zinc/25/13/23/605251323.db2.gz LSLQCBSYGPDDOF-UHFFFAOYSA-N -1 0 337.238 2.419 20 5 EEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000833554384 605297594 /nfs/dbraw/zinc/29/75/94/605297594.db2.gz XOGGELPZNLIMME-ZDUSSCGKSA-N -1 0 328.271 2.010 20 5 EEBDRM CC(C)(C(=O)OCc1ccc(NC(=O)[O-])cc1)n1cc([N+](=O)[O-])cn1 ZINC000833417992 605303335 /nfs/dbraw/zinc/30/33/35/605303335.db2.gz AGXFEXWAHBRPSS-UHFFFAOYSA-N -1 0 348.315 2.360 20 5 EEBDRM C/C(=C/C(=O)N(CC(=O)[O-])C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000833381766 605351590 /nfs/dbraw/zinc/35/15/90/605351590.db2.gz IXDNLJKNVXWKMO-BENRWUELSA-N -1 0 348.355 2.090 20 5 EEBDRM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820426489 606914969 /nfs/dbraw/zinc/91/49/69/606914969.db2.gz KPYJDOZZBYDJKI-JTQLQIEISA-N -1 0 340.343 2.331 20 5 EEBDRM O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119968549 678264065 /nfs/dbraw/zinc/26/40/65/678264065.db2.gz MBOCKZRRSCHUOD-SECBINFHSA-N -1 0 344.776 2.409 20 5 EEBDRM CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000065833766 680049277 /nfs/dbraw/zinc/04/92/77/680049277.db2.gz BRLZTNFNYRZWOY-UHFFFAOYSA-N -1 0 342.352 2.486 20 5 EEBDRM Nc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000007357374 685175170 /nfs/dbraw/zinc/17/51/70/685175170.db2.gz IWXWEXOHHQNELX-UHFFFAOYSA-N -1 0 329.284 2.256 20 5 EEBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1=CCCCC1 ZINC000124756065 686108738 /nfs/dbraw/zinc/10/87/38/686108738.db2.gz XEBNXYFQKOOJDL-UHFFFAOYSA-N -1 0 338.385 2.084 20 5 EEBDRM Cc1[n-]n(-c2cc([N+](=O)[O-])ccc2Br)c(=O)c1CCO ZINC000871958729 1197992249 /nfs/dbraw/zinc/99/22/49/1197992249.db2.gz FTTPOALBKXFRED-VIFPVBQESA-N -1 0 342.149 2.078 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](Cc2nccs2)C1 ZINC000890218002 1202229555 /nfs/dbraw/zinc/22/95/55/1202229555.db2.gz RZPBCCFVFMUTBD-SNVBAGLBSA-N -1 0 333.369 2.462 20 5 EEBDRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000155499592 1208328282 /nfs/dbraw/zinc/32/82/82/1208328282.db2.gz OQMDPAZOYISNGQ-VIFPVBQESA-N -1 0 332.353 2.365 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000795276050 1212386417 /nfs/dbraw/zinc/38/64/17/1212386417.db2.gz BFOXBWYQRKUKQD-UHFFFAOYSA-N -1 0 343.748 2.453 20 5 EEBDRM CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850887773 1277381447 /nfs/dbraw/zinc/38/14/47/1277381447.db2.gz AUSRJLLMEIYGIB-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000857250781 1293772283 /nfs/dbraw/zinc/77/22/83/1293772283.db2.gz LYUQOOCFCBEWRP-AWEZNQCLSA-N -1 0 344.389 2.133 20 5 EEBDRM CC/C=C(\C)[C@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226650201 1301493980 /nfs/dbraw/zinc/49/39/80/1301493980.db2.gz RXIQVPAHJBXEJM-FLOXNTQESA-N -1 0 325.321 2.391 20 5 EEBDRM COC[C@H](C)OC[C@H](C)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095386 1301685766 /nfs/dbraw/zinc/68/57/66/1301685766.db2.gz HMJGJPFOMCKNEC-UWVGGRQHSA-N -1 0 337.332 2.062 20 5 EEBDRM CSc1nc(O[C@H](C)C(=O)OCCC(C)C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227627390 1301915068 /nfs/dbraw/zinc/91/50/68/1301915068.db2.gz FXYVLVMUZZVQJS-MRVPVSSYSA-N -1 0 345.377 2.169 20 5 EEBDRM CO[C@@H](C)CO[C@@H](C)COc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228244953 1302173825 /nfs/dbraw/zinc/17/38/25/1302173825.db2.gz MORJTSIMQGXQCJ-UWVGGRQHSA-N -1 0 337.332 2.062 20 5 EEBDRM COC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(F)(F)F ZINC001228676132 1302374772 /nfs/dbraw/zinc/37/47/72/1302374772.db2.gz WMCQIHKSKBCILN-VIFPVBQESA-N -1 0 333.222 2.262 20 5 EEBDRM Cc1cccc(C(=O)[N-]N2CCc3ccccc3C2=O)c1[N+](=O)[O-] ZINC000781062950 1303731685 /nfs/dbraw/zinc/73/16/85/1303731685.db2.gz BHVGMYHJIKELFF-UHFFFAOYSA-N -1 0 325.324 2.247 20 5 EEBDRM CC1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000781833325 1303875885 /nfs/dbraw/zinc/87/58/85/1303875885.db2.gz FHTAOCRUMCOQEX-UHFFFAOYSA-N -1 0 330.337 2.119 20 5 EEBDRM CC(C)[C@H](F)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000784480633 1304487041 /nfs/dbraw/zinc/48/70/41/1304487041.db2.gz MCYRMNFYTSHCBS-JTQLQIEISA-N -1 0 338.744 2.047 20 5 EEBDRM O=C([N-]S(=O)(=O)[C@H]1CC2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000835560906 1314928221 /nfs/dbraw/zinc/92/82/21/1314928221.db2.gz VTBHJJLHRHHLAX-MGULZYLOSA-N -1 0 338.385 2.233 20 5 EEBDRM O=C(CCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-])NC1CCCC1 ZINC000837611919 1315096417 /nfs/dbraw/zinc/09/64/17/1315096417.db2.gz XICADPPVUSFZHN-UHFFFAOYSA-N -1 0 336.344 2.183 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000842406931 1315698600 /nfs/dbraw/zinc/69/86/00/1315698600.db2.gz UHQLUXCMXWSODW-UHFFFAOYSA-N -1 0 340.401 2.430 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C2CC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000842719085 1315760734 /nfs/dbraw/zinc/76/07/34/1315760734.db2.gz HMRAZUSEPSCIIY-UHFFFAOYSA-N -1 0 338.385 2.288 20 5 EEBDRM CNC(=O)c1ccc2c(c1)nc(-c1cc([O-])ccc1[N+](=O)[O-])n2C ZINC001250854696 1317346950 /nfs/dbraw/zinc/34/69/50/1317346950.db2.gz XHNLYKOJPQVXAK-UHFFFAOYSA-N -1 0 326.312 2.214 20 5 EEBDRM Cc1nc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001157157207 1318445335 /nfs/dbraw/zinc/44/53/35/1318445335.db2.gz VBNNSZIJQHQBJE-UHFFFAOYSA-N -1 0 349.283 2.383 20 5 EEBDRM O=[N+]([O-])c1cc(-c2nnc(C3CCOCC3)o2)c([O-])c([N+](=O)[O-])c1 ZINC001255738795 1318526191 /nfs/dbraw/zinc/52/61/91/1318526191.db2.gz MTEMKLQPUXYAJK-UHFFFAOYSA-N -1 0 336.260 2.153 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](O)CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001601768060 1350359273 /nfs/dbraw/zinc/35/92/73/1350359273.db2.gz GWTBTMCAZBUPEC-WCBMZHEXSA-N -1 0 349.170 2.169 20 5 EEBDRM Cc1cccc2c1CCN(S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC001309166836 1331619972 /nfs/dbraw/zinc/61/99/72/1331619972.db2.gz QWGHUXZYVJPWJP-UHFFFAOYSA-N -1 0 348.380 2.356 20 5 EEBDRM O=C([O-])CC1(CS(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001608681406 1351740609 /nfs/dbraw/zinc/74/06/09/1351740609.db2.gz CIEKRQTWTRXTQD-UHFFFAOYSA-N -1 0 349.748 2.212 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)OC1CSC1 ZINC001608735469 1351752107 /nfs/dbraw/zinc/75/21/07/1351752107.db2.gz XKBSOSNIPRWBJE-UHFFFAOYSA-N -1 0 343.382 2.434 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001608816899 1351770333 /nfs/dbraw/zinc/77/03/33/1351770333.db2.gz MHEQGIVNNIDGCD-JZYVYDRUSA-N -1 0 344.245 2.016 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2CC[C@@H](O)C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001608830712 1351773455 /nfs/dbraw/zinc/77/34/55/1351773455.db2.gz XUGIJQBSVLKMFV-MRVPVSSYSA-N -1 0 336.678 2.153 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC001608914456 1351793009 /nfs/dbraw/zinc/79/30/09/1351793009.db2.gz ROYZGMCLMGJSNL-CQSZACIVSA-N -1 0 330.344 2.327 20 5 EEBDRM O=C([O-])c1cnc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC001608971951 1351805093 /nfs/dbraw/zinc/80/50/93/1351805093.db2.gz DHLIDAWWOSILHO-UHFFFAOYSA-N -1 0 341.732 2.333 20 5 EEBDRM O=C([O-])c1coc(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001608988508 1351808797 /nfs/dbraw/zinc/80/87/97/1351808797.db2.gz LNMLMXOTSFEHDS-KBPBESRZSA-N -1 0 330.296 2.306 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001609648256 1352049658 /nfs/dbraw/zinc/04/96/58/1352049658.db2.gz VTLWJPBFOIRSCJ-UHFFFAOYSA-N -1 0 329.692 2.085 20 5 EEBDRM C[C@H]1COCC[C@@H]1c1noc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001609879233 1352109991 /nfs/dbraw/zinc/10/99/91/1352109991.db2.gz WERLMVWEZYTQCC-UFBFGSQYSA-N -1 0 333.300 2.483 20 5 EEBDRM CC[C@](C)(NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001609895871 1352113549 /nfs/dbraw/zinc/11/35/49/1352113549.db2.gz PDLLDSDLSYKCJY-RTHLEPHNSA-N -1 0 344.751 2.385 20 5 EEBDRM CC[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC001609936495 1352123962 /nfs/dbraw/zinc/12/39/62/1352123962.db2.gz QXDHSCAMYOCKCQ-AWEZNQCLSA-N -1 0 336.344 2.218 20 5 EEBDRM CO[C@@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC001610240072 1352192662 /nfs/dbraw/zinc/19/26/62/1352192662.db2.gz POBYTKCNAVTQAS-PRHODGIISA-N -1 0 339.304 2.062 20 5 EEBDRM COC[C@@](C)(CC(=O)[O-])NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC001610241323 1352193017 /nfs/dbraw/zinc/19/30/17/1352193017.db2.gz IFLMFLQVMFTKGE-OAHLLOKOSA-N -1 0 339.348 2.213 20 5 EEBDRM COC[C@](C)(CC(=O)[O-])NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC001610241322 1352193156 /nfs/dbraw/zinc/19/31/56/1352193156.db2.gz IFLMFLQVMFTKGE-HNNXBMFYSA-N -1 0 339.348 2.213 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CNC(C)(C)c1cc(C(=O)[O-])on1 ZINC001610307252 1352202859 /nfs/dbraw/zinc/20/28/59/1352202859.db2.gz LUGATCLXUCJULS-UHFFFAOYSA-N -1 0 335.316 2.315 20 5 EEBDRM CSC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001610382504 1352213666 /nfs/dbraw/zinc/21/36/66/1352213666.db2.gz IMAVCYVRLPQVSX-SSDOTTSWSA-N -1 0 327.362 2.474 20 5 EEBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001610402970 1352217304 /nfs/dbraw/zinc/21/73/04/1352217304.db2.gz QFHKLFIAPVQHLP-UHFFFAOYSA-N -1 0 329.312 2.394 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001610607187 1352253288 /nfs/dbraw/zinc/25/32/88/1352253288.db2.gz LSEYHVAZRAMAMO-UHFFFAOYSA-N -1 0 345.355 2.439 20 5 EEBDRM O=C([O-])[C@@]1(c2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001610729777 1352265882 /nfs/dbraw/zinc/26/58/82/1352265882.db2.gz OXPOJKLFPWHBHO-INIZCTEOSA-N -1 0 331.303 2.362 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2C[C@H](O)CC(F)(F)C2)cc1Cl ZINC001610817461 1352279846 /nfs/dbraw/zinc/27/98/46/1352279846.db2.gz KAGSCVCXGGJILY-ZCFIWIBFSA-N -1 0 336.678 2.153 20 5 EEBDRM O=C([O-])c1cccc(OCCCNC(=O)C2CCCC2)c1[N+](=O)[O-] ZINC001610849799 1352285220 /nfs/dbraw/zinc/28/52/20/1352285220.db2.gz ZFGATKDGRCBAAC-UHFFFAOYSA-N -1 0 336.344 2.368 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCOc3cc(O)ccc3C2)c1 ZINC001610841382 1352283527 /nfs/dbraw/zinc/28/35/27/1352283527.db2.gz BDUCZICLDNVYIM-UHFFFAOYSA-N -1 0 330.296 2.398 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2cnn(Cc3cccnc3)c2)n1 ZINC001610841493 1352283612 /nfs/dbraw/zinc/28/36/12/1352283612.db2.gz PFRRNCUBAQDJRM-UHFFFAOYSA-N -1 0 340.299 2.071 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2CCN(CC(F)F)CC2)n1 ZINC001610841532 1352283626 /nfs/dbraw/zinc/28/36/26/1352283626.db2.gz QZFNRCTZZZCDNM-UHFFFAOYSA-N -1 0 344.318 2.077 20 5 EEBDRM C[C@@H]1OC(C)(C)N[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001576901054 1344074225 /nfs/dbraw/zinc/07/42/25/1344074225.db2.gz YJPLVDUXQFJOEI-QUBYGPBYSA-N -1 0 329.740 2.005 20 5 EEBDRM C[C@H](c1ccc(F)c(Cl)c1)n1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1 ZINC001590040962 1349122791 /nfs/dbraw/zinc/12/27/91/1349122791.db2.gz VCUOTEXKMOULEW-ZCFIWIBFSA-N -1 0 337.702 2.373 20 5 EEBDRM Cc1c(NC(=O)N(C)C[C@H]2CCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600035014 1349959089 /nfs/dbraw/zinc/95/90/89/1349959089.db2.gz VBBTXSBUOWMDSV-SNVBAGLBSA-N -1 0 337.332 2.102 20 5 EEBDRM Cc1c(NC(=S)NC2CCOCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600049124 1349962121 /nfs/dbraw/zinc/96/21/21/1349962121.db2.gz OBVSIOIAUZPKDB-UHFFFAOYSA-N -1 0 339.373 2.067 20 5 EEBDRM Cc1cc(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)cc([N+](=O)[O-])c1 ZINC001600091520 1349969572 /nfs/dbraw/zinc/96/95/72/1349969572.db2.gz ZDEKSRVRWQVYDE-JZLYGMAVSA-N -1 0 348.355 2.045 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2cn3ccccc3n2)n1 ZINC001600105924 1349972292 /nfs/dbraw/zinc/97/22/92/1349972292.db2.gz NPOUSDCGSOLAIU-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001600164254 1349983491 /nfs/dbraw/zinc/98/34/91/1349983491.db2.gz JIRPYJVCIYYMQY-CQSZACIVSA-N -1 0 325.296 2.242 20 5 EEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001600216810 1349995150 /nfs/dbraw/zinc/99/51/50/1349995150.db2.gz NSBDYPXPTRXSFM-UHFFFAOYSA-N -1 0 349.748 2.130 20 5 EEBDRM Cc1cc(N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)ccc1[N+](=O)[O-] ZINC001600240619 1349999745 /nfs/dbraw/zinc/99/97/45/1349999745.db2.gz YEJZXXXWIJJGFZ-QGZVFWFLSA-N -1 0 334.372 2.489 20 5 EEBDRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])o2)c2cc([N+](=O)[O-])ccc2n1 ZINC001600274151 1350008429 /nfs/dbraw/zinc/00/84/29/1350008429.db2.gz MJLMFBRBUHCXQV-UHFFFAOYSA-N -1 0 341.279 2.417 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1C ZINC001600305129 1350015831 /nfs/dbraw/zinc/01/58/31/1350015831.db2.gz LUFZVOQKKJAHNA-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001600305410 1350016202 /nfs/dbraw/zinc/01/62/02/1350016202.db2.gz WUWHWABKNPTXLY-UHFFFAOYSA-N -1 0 336.329 2.380 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001600488607 1350063640 /nfs/dbraw/zinc/06/36/40/1350063640.db2.gz YWRIRAONPILJJN-BDJLRTHQSA-N -1 0 333.344 2.270 20 5 EEBDRM Cc1ccncc1CN(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600605571 1350096008 /nfs/dbraw/zinc/09/60/08/1350096008.db2.gz UBSWFZLRUDDHNU-UHFFFAOYSA-N -1 0 329.312 2.269 20 5 EEBDRM Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)n1C ZINC001600718742 1350120274 /nfs/dbraw/zinc/12/02/74/1350120274.db2.gz XXXRWMUSYAWDMJ-BDAKNGLRSA-N -1 0 335.320 2.045 20 5 EEBDRM Cn1c2ccccc2c(NCC(C)(C)CC(=O)[O-])c([N+](=O)[O-])c1=O ZINC001600895266 1350161819 /nfs/dbraw/zinc/16/18/19/1350161819.db2.gz QGPPSDUNXBIYCZ-UHFFFAOYSA-N -1 0 333.344 2.360 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001601214579 1350233253 /nfs/dbraw/zinc/23/32/53/1350233253.db2.gz LQOZYGWHLGNFQB-AWEZNQCLSA-N -1 0 330.296 2.030 20 5 EEBDRM O=C([O-])C1(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])CCCCC1 ZINC001601341713 1350261514 /nfs/dbraw/zinc/26/15/14/1350261514.db2.gz WBPGMDAPABCUQT-UHFFFAOYSA-N -1 0 340.307 2.016 20 5 EEBDRM O=C([O-])[C@@]1(CNc2c(Br)cccc2[N+](=O)[O-])CCOC1 ZINC001601710747 1350344837 /nfs/dbraw/zinc/34/48/37/1350344837.db2.gz FTTGCIGDKBMNAR-GFCCVEGCSA-N -1 0 345.149 2.261 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCC[C@H]2CCOC2=O)c([N+](=O)[O-])c1 ZINC001601883041 1350389978 /nfs/dbraw/zinc/38/99/78/1350389978.db2.gz OPDMXPLJOPVPPU-FUEXJSSKSA-N -1 0 334.328 2.448 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@@H]2CCc3cncn3C2)c([N+](=O)[O-])c1 ZINC001601883915 1350390645 /nfs/dbraw/zinc/39/06/45/1350390645.db2.gz UYQXSXLETOPVGL-DBGMKRSLSA-N -1 0 328.328 2.316 20 5 EEBDRM O=C([O-])Cc1ccccc1OC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001602149474 1350451486 /nfs/dbraw/zinc/45/14/86/1350451486.db2.gz HYLBLQYOJVRBCM-CYBMUJFWSA-N -1 0 347.323 2.041 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@@](O)(C3CC3)C2)cc1Cl ZINC001602298673 1350487759 /nfs/dbraw/zinc/48/77/59/1350487759.db2.gz DFFNDQUFSLAHMI-AWEZNQCLSA-N -1 0 326.736 2.298 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)c2cnc3n2CCCC3)c1 ZINC001602403452 1350511593 /nfs/dbraw/zinc/51/15/93/1350511593.db2.gz HGQYJFYPADKUJZ-UHFFFAOYSA-N -1 0 345.311 2.183 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC001602403224 1350511652 /nfs/dbraw/zinc/51/16/52/1350511652.db2.gz BTCWIRPUZBPAMU-NEPJUHHUSA-N -1 0 348.277 2.181 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](O)COc2ccccc2)c1 ZINC001602405296 1350512102 /nfs/dbraw/zinc/51/21/02/1350512102.db2.gz QNWRUTXPUFNAPM-LBPRGKRZSA-N -1 0 332.312 2.145 20 5 EEBDRM O=C([O-])c1ccnc(N2CCc3c(cccc3[N+](=O)[O-])C2)c1[N+](=O)[O-] ZINC001602480682 1350528883 /nfs/dbraw/zinc/52/88/83/1350528883.db2.gz LLMAJHPBXXJGEC-UHFFFAOYSA-N -1 0 344.283 2.159 20 5 EEBDRM O=C([O-])c1cncc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC001602535591 1350540973 /nfs/dbraw/zinc/54/09/73/1350540973.db2.gz AJFDJZIOKOOLFR-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM CC(C)(C)[S@@](=O)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001603523844 1350715966 /nfs/dbraw/zinc/71/59/66/1350715966.db2.gz KMSKWUFMRCETQX-QFIPXVFZSA-N -1 0 328.390 2.181 20 5 EEBDRM CC(C)(C)n1nnnc1SCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603575727 1350722909 /nfs/dbraw/zinc/72/29/09/1350722909.db2.gz DJKKULZOCTYZCJ-UHFFFAOYSA-N -1 0 337.361 2.327 20 5 EEBDRM CC(C)(CC(=O)[O-])CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001603578784 1350724063 /nfs/dbraw/zinc/72/40/63/1350724063.db2.gz WSTQGBJCFWJGGC-UHFFFAOYSA-N -1 0 336.344 2.075 20 5 EEBDRM CC(C)(CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)CC(=O)[O-] ZINC001603639034 1350732598 /nfs/dbraw/zinc/73/25/98/1350732598.db2.gz UOERYVIKHYPRNR-UHFFFAOYSA-N -1 0 346.343 2.216 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C(=O)[O-] ZINC001603841412 1350779895 /nfs/dbraw/zinc/77/98/95/1350779895.db2.gz PKEDRISLLNBKFZ-QMMMGPOBSA-N -1 0 347.730 2.199 20 5 EEBDRM C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC001604277857 1350907981 /nfs/dbraw/zinc/90/79/81/1350907981.db2.gz PYBIOPMQHXPSDD-QMMMGPOBSA-N -1 0 335.341 2.169 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001604961108 1351040070 /nfs/dbraw/zinc/04/00/70/1351040070.db2.gz UOIUSTAEXJUMPW-NSHDSACASA-N -1 0 336.344 2.269 20 5 EEBDRM CC[C@@](CNC(=O)c1ccc([N+](=O)[O-])cn1)(C(=O)[O-])c1ccccc1 ZINC001605038861 1351064639 /nfs/dbraw/zinc/06/46/39/1351064639.db2.gz APNKAWUEUILBMO-KRWDZBQOSA-N -1 0 343.339 2.152 20 5 EEBDRM CCCc1n[nH]c(C(=O)NCC2(CC(=O)[O-])CCCC2)c1[N+](=O)[O-] ZINC001605361038 1351143850 /nfs/dbraw/zinc/14/38/50/1351143850.db2.gz PARMACCCKGQXDY-UHFFFAOYSA-N -1 0 338.364 2.035 20 5 EEBDRM CCN1C[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1=O ZINC001605469244 1351164362 /nfs/dbraw/zinc/16/43/62/1351164362.db2.gz GSXCZKXBNBNRGG-QMMMGPOBSA-N -1 0 341.751 2.227 20 5 EEBDRM CCOC(=O)C(C)(C)CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001605505640 1351173435 /nfs/dbraw/zinc/17/34/35/1351173435.db2.gz MCOFCGSWVDNKEA-UHFFFAOYSA-N -1 0 339.300 2.178 20 5 EEBDRM CCOCCCNC(=S)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001605632333 1351206297 /nfs/dbraw/zinc/20/62/97/1351206297.db2.gz FZPKWYGUKWSNIW-UHFFFAOYSA-N -1 0 341.389 2.314 20 5 EEBDRM Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1-c1nn[nH]n1 ZINC001605824308 1351229171 /nfs/dbraw/zinc/22/91/71/1351229171.db2.gz VPZZAKXKEZPEAL-UHFFFAOYSA-N -1 0 339.315 2.039 20 5 EEBDRM CO[C@@H]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001606732611 1351348428 /nfs/dbraw/zinc/34/84/28/1351348428.db2.gz GWAQDXSJFPFJBR-GHMZBOCLSA-N -1 0 337.332 2.290 20 5 EEBDRM COC[C@@]1(C(=O)[O-])CCCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC001606831180 1351363831 /nfs/dbraw/zinc/36/38/31/1351363831.db2.gz WNIMMAOOVLZVHA-MRXNPFEDSA-N -1 0 338.360 2.059 20 5 EEBDRM CON(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@H](C)CC(=O)[O-] ZINC001606988928 1351393710 /nfs/dbraw/zinc/39/37/10/1351393710.db2.gz YBGNCZNJPMZVQE-MRVPVSSYSA-N -1 0 328.346 2.184 20 5 EEBDRM COc1cc([N+](=O)[O-])cnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001607191502 1351446138 /nfs/dbraw/zinc/44/61/38/1351446138.db2.gz KTNVOMJFFKCHCN-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM Cc1cc(C(=O)[O-])ccc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001607598429 1351522144 /nfs/dbraw/zinc/52/21/44/1351522144.db2.gz COVMGXZKQIIDLF-UHFFFAOYSA-N -1 0 329.312 2.312 20 5 EEBDRM Cc1cc(C)c(S(=O)(=O)N(C)C(C)(C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001607621926 1351527216 /nfs/dbraw/zinc/52/72/16/1351527216.db2.gz LOVSKWZSTDQMLN-UHFFFAOYSA-N -1 0 344.389 2.085 20 5 EEBDRM Cc1cc(N2CC[C@H](C(=O)N3CCCC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607685662 1351539787 /nfs/dbraw/zinc/53/97/87/1351539787.db2.gz ZQWDQEQGCKNTPC-LBPRGKRZSA-N -1 0 347.371 2.050 20 5 EEBDRM Cc1c(C(=O)[O-])cc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC001607733377 1351548383 /nfs/dbraw/zinc/54/83/83/1351548383.db2.gz JNFFZTQDOKTDLX-UHFFFAOYSA-N -1 0 331.328 2.178 20 5 EEBDRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C2 ZINC001608278880 1351661979 /nfs/dbraw/zinc/66/19/79/1351661979.db2.gz KONHCNYNTJKXDP-OWCBBSPXSA-N -1 0 344.367 2.412 20 5 EEBDRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001608392726 1351685420 /nfs/dbraw/zinc/68/54/20/1351685420.db2.gz WKUPLBBPCQBCJD-QMMMGPOBSA-N -1 0 344.755 2.125 20 5 EEBDRM O=C([O-])C1(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCSCC1 ZINC001608406448 1351688752 /nfs/dbraw/zinc/68/87/52/1351688752.db2.gz KHAAZAAKFVLIIA-UHFFFAOYSA-N -1 0 344.776 2.328 20 5 EEBDRM CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000781773441 1371250578 /nfs/dbraw/zinc/25/05/78/1371250578.db2.gz RYTVCWZSHBJGJA-VIFPVBQESA-N -1 0 344.364 2.365 20 5 EEBDRM CNc1nccc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001606314593 1404790369 /nfs/dbraw/zinc/79/03/69/1404790369.db2.gz UAYZOKSYOYAKMA-UHFFFAOYSA-N -1 0 330.300 2.290 20 5 EEBDRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000920322405 770675523 /nfs/dbraw/zinc/67/55/23/770675523.db2.gz KNRXUGCCKORYQI-NTMALXAHSA-N -1 0 342.373 2.155 20 5 EEBDRM O=C([O-])[C@@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901490612 776667587 /nfs/dbraw/zinc/66/75/87/776667587.db2.gz OQVKZJMXWZPTSD-ZCFIWIBFSA-N -1 0 335.179 2.325 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000112493473 786062736 /nfs/dbraw/zinc/06/27/36/786062736.db2.gz SHMYBFIWWKLVOC-JTQLQIEISA-N -1 0 328.390 2.399 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(c3cccc(F)c3)CC2)n1 ZINC000910343141 786674547 /nfs/dbraw/zinc/67/45/47/786674547.db2.gz GCFZEOMSKXWCJZ-UHFFFAOYSA-N -1 0 346.318 2.154 20 5 EEBDRM Cc1cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC000823825844 787942804 /nfs/dbraw/zinc/94/28/04/787942804.db2.gz WUAXHJLRLNBJNS-LLVKDONJSA-N -1 0 337.376 2.495 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H](CCO)Cc2ccccc2)n1 ZINC000844218788 788907077 /nfs/dbraw/zinc/90/70/77/788907077.db2.gz QLJJXLDCVBZUNT-GFCCVEGCSA-N -1 0 331.328 2.094 20 5 EEBDRM O=C([O-])c1cnc(NC[C@]2(O)CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000844209670 788928572 /nfs/dbraw/zinc/92/85/72/788928572.db2.gz YLVZNJXVSDVKJI-QGZVFWFLSA-N -1 0 343.339 2.324 20 5 EEBDRM CC(C)(C)[C@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1O ZINC000844213152 788929592 /nfs/dbraw/zinc/92/95/92/788929592.db2.gz FVEYBESJDCXVSN-WFASDCNBSA-N -1 0 336.388 2.455 20 5 EEBDRM Nc1ccc(COCCO)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174507937 797785809 /nfs/dbraw/zinc/78/58/09/797785809.db2.gz RTNLHENVBPJKDU-UHFFFAOYSA-N -1 0 347.327 2.128 20 5 EEBDRM COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C(=O)[O-])cc1 ZINC000345860025 939128453 /nfs/dbraw/zinc/12/84/53/939128453.db2.gz REJRLXNHUNDFKI-OAHLLOKOSA-N -1 0 344.323 2.468 20 5 EEBDRM O=C([O-])[C@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCSC1 ZINC000864126107 939249168 /nfs/dbraw/zinc/24/91/68/939249168.db2.gz MVCUWHDUEJLTOO-INIZCTEOSA-N -1 0 346.364 2.438 20 5 EEBDRM CC(C)(CC(=O)[O-])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001602931677 971897846 /nfs/dbraw/zinc/89/78/46/971897846.db2.gz PPOXUDNNGPDOFZ-UHFFFAOYSA-N -1 0 332.715 2.299 20 5 EEBDRM C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC001589366217 954197349 /nfs/dbraw/zinc/19/73/49/954197349.db2.gz KOKLMWMCBHMRRY-BXUZGUMPSA-N -1 0 334.372 2.442 20 5 EEBDRM O=C([O-])C1(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])CCSCC1 ZINC001594877359 954387609 /nfs/dbraw/zinc/38/76/09/954387609.db2.gz WKHOWVGTMXJVPR-UHFFFAOYSA-N -1 0 343.332 2.375 20 5 EEBDRM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(C(=O)[O-])nc1 ZINC001589410311 954509597 /nfs/dbraw/zinc/50/95/97/954509597.db2.gz AVFNJJMJXQKKPR-SECBINFHSA-N -1 0 327.296 2.279 20 5 EEBDRM O=C([O-])C1CC2(C1)CC[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])O2 ZINC001594907912 954691788 /nfs/dbraw/zinc/69/17/88/954691788.db2.gz UUIMQAVESXMTNI-MHMQJKDYSA-N -1 0 341.751 2.468 20 5 EEBDRM CC[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001589537910 955174167 /nfs/dbraw/zinc/17/41/67/955174167.db2.gz NIOFGCKMGYMKPJ-SSDOTTSWSA-N -1 0 347.274 2.429 20 5 EEBDRM C[C@H](CN(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(=O)[O-] ZINC001603152437 972253308 /nfs/dbraw/zinc/25/33/08/972253308.db2.gz UQICTRXGGUCKSG-ZCFIWIBFSA-N -1 0 330.728 2.015 20 5 EEBDRM O=C([O-])COc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC001574738693 957679898 /nfs/dbraw/zinc/67/98/98/957679898.db2.gz HMTOZYHGANHUJI-UHFFFAOYSA-N -1 0 331.280 2.415 20 5 EEBDRM CC(C)(CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001573474296 958951523 /nfs/dbraw/zinc/95/15/23/958951523.db2.gz OCSVUJTVIJWKRK-UHFFFAOYSA-N -1 0 346.286 2.427 20 5 EEBDRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001588549003 959006764 /nfs/dbraw/zinc/00/67/64/959006764.db2.gz QEJDCTRVIPSCMS-JFGNBEQYSA-N -1 0 338.335 2.407 20 5 EEBDRM Cc1c(CNC(=O)Nc2cc(C(=O)[O-])ccn2)cccc1[N+](=O)[O-] ZINC001594262137 959702970 /nfs/dbraw/zinc/70/29/70/959702970.db2.gz URFAISYCPSPYLL-UHFFFAOYSA-N -1 0 330.300 2.318 20 5 EEBDRM CCOc1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001573920334 961530586 /nfs/dbraw/zinc/53/05/86/961530586.db2.gz LATLAENIOUNAHL-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM COC(=O)c1ccnc(Oc2cc(C(=O)[O-])ccc2F)c1[N+](=O)[O-] ZINC001574094983 962360645 /nfs/dbraw/zinc/36/06/45/962360645.db2.gz LRVTWNRNTUEJCL-UHFFFAOYSA-N -1 0 336.231 2.406 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCC1 ZINC000852960348 969303945 /nfs/dbraw/zinc/30/39/45/969303945.db2.gz FNJKQPYPQUJJQY-SNVBAGLBSA-N -1 0 326.736 2.479 20 5 EEBDRM C[C@H](CC(=O)[O-])NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001609871063 970562955 /nfs/dbraw/zinc/56/29/55/970562955.db2.gz JTDHQCQQBATZLM-YPMHNXCESA-N -1 0 335.360 2.347 20 5 EEBDRM Cc1c(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)cccc1[N+](=O)[O-] ZINC001605076501 972703809 /nfs/dbraw/zinc/70/38/09/972703809.db2.gz AJNXKDDQZOZRHA-VMBJYNEYSA-N -1 0 348.355 2.045 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001604739415 973951974 /nfs/dbraw/zinc/95/19/74/973951974.db2.gz YMPUFWYUICGGMK-AWEZNQCLSA-N -1 0 348.286 2.298 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001605716056 974149628 /nfs/dbraw/zinc/14/96/28/974149628.db2.gz SGJKMYCOHCYRNC-UHFFFAOYSA-N -1 0 328.324 2.194 20 5 EEBDRM CC(C)Oc1cc(C(=O)Nc2[nH]cnc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591751647 975807358 /nfs/dbraw/zinc/80/73/58/975807358.db2.gz YGXSANONZOXETP-UHFFFAOYSA-N -1 0 334.288 2.056 20 5 EEBDRM C[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001592728188 979235535 /nfs/dbraw/zinc/23/55/35/979235535.db2.gz CHRNUZZMGLXUEZ-MRVPVSSYSA-N -1 0 325.321 2.078 20 5 EEBDRM C[C@H](Cc1ccco1)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001592900336 979820610 /nfs/dbraw/zinc/82/06/10/979820610.db2.gz SPTYFPCMPVVWAU-SNVBAGLBSA-N -1 0 347.327 2.045 20 5 EEBDRM C[C@@](NC(=O)CCCC(=O)C1CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593015134 980260109 /nfs/dbraw/zinc/26/01/09/980260109.db2.gz GDBNPQLBYAABGO-KRWDZBQOSA-N -1 0 348.355 2.160 20 5 EEBDRM CC[C@@H]1COCCN1CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001595500470 981272827 /nfs/dbraw/zinc/27/28/27/981272827.db2.gz MUVJNBPTYLBSDZ-GFCCVEGCSA-N -1 0 337.376 2.124 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001594908539 982399485 /nfs/dbraw/zinc/39/94/85/982399485.db2.gz HNCQFMUHJSJXCZ-WPPNPWJKSA-N -1 0 330.287 2.031 20 5 EEBDRM CCCN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001595817397 982680461 /nfs/dbraw/zinc/68/04/61/982680461.db2.gz WAHUSAUYYXDYGL-JTQLQIEISA-N -1 0 326.374 2.399 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001594975796 982753152 /nfs/dbraw/zinc/75/31/52/982753152.db2.gz VFIHWNCLWXZEGY-LURJTMIESA-N -1 0 347.730 2.295 20 5 EEBDRM CC[C@H](C)NC(=O)[C@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001594988265 982833080 /nfs/dbraw/zinc/83/30/80/982833080.db2.gz YKJMDAWTKZRDDD-KXKUKXMYSA-N -1 0 335.360 2.408 20 5 EEBDRM CC[C@@H](C)NC(=O)CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001594989066 982837314 /nfs/dbraw/zinc/83/73/14/982837314.db2.gz DXSWKMUAKXXSHB-JPVGGKMYSA-N -1 0 335.360 2.409 20 5 EEBDRM CC(=O)NCc1ccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001589150026 985468722 /nfs/dbraw/zinc/46/87/22/985468722.db2.gz SHNJAJAKYPROPO-UHFFFAOYSA-N -1 0 330.300 2.068 20 5 EEBDRM C[C@@H](C(=O)N[C@](C)(CCF)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589380927 986461020 /nfs/dbraw/zinc/46/10/20/986461020.db2.gz JOSSGFFBDNIUCS-XLKFXECMSA-N -1 0 330.287 2.157 20 5 EEBDRM CCc1cc(NCC2(C(=O)[O-])CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001597483046 987984012 /nfs/dbraw/zinc/98/40/12/987984012.db2.gz DVULFSPSYUSDNI-UHFFFAOYSA-N -1 0 342.355 2.313 20 5 EEBDRM CSc1cccc(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1[N+](=O)[O-] ZINC001599821658 988524204 /nfs/dbraw/zinc/52/42/04/988524204.db2.gz HEUIMDBKOBBRSL-NXEZZACHSA-N -1 0 338.385 2.500 20 5 EEBDRM CCc1nc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001597651151 988686514 /nfs/dbraw/zinc/68/65/14/988686514.db2.gz VNUSJIWRSHFFAG-MRXNPFEDSA-N -1 0 347.327 2.183 20 5 EEBDRM CC(C)(CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001590713538 990469321 /nfs/dbraw/zinc/46/93/21/990469321.db2.gz NYOUDXYRKYOPEV-UHFFFAOYSA-N -1 0 332.715 2.157 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001599767847 992204670 /nfs/dbraw/zinc/20/46/70/992204670.db2.gz NMFOBAVAFHIWFI-GXSJLCMTSA-N -1 0 342.373 2.054 20 5 EEBDRM C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001593069959 993615505 /nfs/dbraw/zinc/61/55/05/993615505.db2.gz ARMYGFMMIALIGW-NQBHXWOUSA-N -1 0 335.360 2.408 20 5 EEBDRM C[C@@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001593079949 993653029 /nfs/dbraw/zinc/65/30/29/993653029.db2.gz ZMBQQXRGPRGVAZ-USBNGQNGSA-N -1 0 335.360 2.408 20 5 EEBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC001593145279 993939008 /nfs/dbraw/zinc/93/90/08/993939008.db2.gz BTRSUVJTJXKIHI-BONVTDFDSA-N -1 0 344.323 2.145 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1OC(=O)c1c(C)coc1CC(=O)[O-] ZINC001599623017 994110391 /nfs/dbraw/zinc/11/03/91/994110391.db2.gz OCEIOMSSTTXAFL-UHFFFAOYSA-N -1 0 335.268 2.351 20 5 EEBDRM CNc1ccc(C(=O)NCc2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001598678158 994881557 /nfs/dbraw/zinc/88/15/57/994881557.db2.gz IMVLOYSMFWAUPP-UHFFFAOYSA-N -1 0 343.339 2.194 20 5 EEBDRM C[C@](O)(C(=O)[O-])c1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC001593375917 995084236 /nfs/dbraw/zinc/08/42/36/995084236.db2.gz PGNLEVIPZPPYPD-QGZVFWFLSA-N -1 0 331.324 2.089 20 5 EEBDRM COC(=O)[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC001598704827 995272235 /nfs/dbraw/zinc/27/22/35/995272235.db2.gz SAVDRVLIZXJFQQ-GFCCVEGCSA-N -1 0 345.311 2.057 20 5 EEBDRM COC(=O)[C@@H]1CCCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598786238 996032366 /nfs/dbraw/zinc/03/23/66/996032366.db2.gz AMJGVAQFKOXTRL-AWEZNQCLSA-N -1 0 336.344 2.211 20 5 EEBDRM CO[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC001599077227 996902311 /nfs/dbraw/zinc/90/23/11/996902311.db2.gz IQHIDQPULUAJHD-QGZVFWFLSA-N -1 0 343.339 2.337 20 5 EEBDRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1cn(C)nc1[N+](=O)[O-] ZINC001599401206 997218343 /nfs/dbraw/zinc/21/83/43/997218343.db2.gz USMDRNVBJQNBIU-XQRVVYSFSA-N -1 0 333.300 2.014 20 5 EEBDRM C[C@@]1(C2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)COC(=O)N1 ZINC001593994475 997295348 /nfs/dbraw/zinc/29/53/48/997295348.db2.gz XEFAFBFTCOSZRJ-INIZCTEOSA-N -1 0 349.343 2.008 20 5 EEBDRM CON(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H](C)CC(=O)[O-] ZINC001599313992 997466102 /nfs/dbraw/zinc/46/61/02/997466102.db2.gz ZVLMERUHOMDASJ-RKDXNWHRSA-N -1 0 328.296 2.091 20 5 EEBDRM COc1cc(CN[C@](C)(CC(=O)[O-])c2ccccn2)ccc1[N+](=O)[O-] ZINC001599416397 997519691 /nfs/dbraw/zinc/51/96/91/997519691.db2.gz WRIFBPSEUTWJJV-QGZVFWFLSA-N -1 0 345.355 2.478 20 5 EEBDRM COC[C@H](CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])OC ZINC001599162947 998489642 /nfs/dbraw/zinc/48/96/42/998489642.db2.gz QTXRASDLMXENMN-QMMMGPOBSA-N -1 0 332.740 2.410 20 5 EEBDRM C[C@@H]1CN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2C)CC(C)(C)O1 ZINC001519781510 1119105796 /nfs/dbraw/zinc/10/57/96/1119105796.db2.gz VBDRRFBRTWCQPW-SNVBAGLBSA-N -1 0 347.375 2.100 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccnn2C(C)C)c([N+](=O)[O-])c1 ZINC000066248434 215027301 /nfs/dbraw/zinc/02/73/01/215027301.db2.gz ZAOMPABPYWNIBB-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM O=C([O-])CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000035221400 213014078 /nfs/dbraw/zinc/01/40/78/213014078.db2.gz ZYBHCRZNURJSHY-UHFFFAOYSA-N -1 0 326.106 2.402 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000262716153 304127910 /nfs/dbraw/zinc/12/79/10/304127910.db2.gz NMKQXHWCTWUDNU-OLZOCXBDSA-N -1 0 347.371 2.178 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236818896 242369581 /nfs/dbraw/zinc/36/95/81/242369581.db2.gz USCVEMJFSVKRGO-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000019815699 212072374 /nfs/dbraw/zinc/07/23/74/212072374.db2.gz YOMKHLWKYIUHGW-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261684215 244635623 /nfs/dbraw/zinc/63/56/23/244635623.db2.gz MZKUTTMMGPTMKS-UHFFFAOYSA-N -1 0 336.344 2.367 20 5 EEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000013167438 211533412 /nfs/dbraw/zinc/53/34/12/211533412.db2.gz SGCZNIAFOFYTKB-SNVBAGLBSA-N -1 0 338.385 2.399 20 5 EEBDRM Cc1nccn1-c1ncccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181895411 143853342 /nfs/dbraw/zinc/85/33/42/143853342.db2.gz AOFJMNUODFWKHM-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM O=C([O-])[C@@H](CC1CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262918695 152339048 /nfs/dbraw/zinc/33/90/48/152339048.db2.gz IIEJSDBTDXWPLR-GFCCVEGCSA-N -1 0 326.736 2.160 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000263157812 152390172 /nfs/dbraw/zinc/39/01/72/152390172.db2.gz FXIJIFLKFSMTHA-BDAKNGLRSA-N -1 0 326.736 2.431 20 5 EEBDRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000355854837 153170522 /nfs/dbraw/zinc/17/05/22/153170522.db2.gz HZNXTBNNDKRPJM-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000355999480 153238764 /nfs/dbraw/zinc/23/87/64/153238764.db2.gz MEPPPGJVQTUMTM-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237034824 160220220 /nfs/dbraw/zinc/22/02/20/160220220.db2.gz RKQJZAXXDBGCPL-UHFFFAOYSA-N -1 0 328.324 2.494 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1 ZINC000135951978 292453597 /nfs/dbraw/zinc/45/35/97/292453597.db2.gz VPDPSISFMFFRGM-UHFFFAOYSA-N -1 0 346.324 2.446 20 5 EEBDRM CCc1cnccc1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000352088952 162063767 /nfs/dbraw/zinc/06/37/67/162063767.db2.gz FKKDAZLWJJQRPL-UHFFFAOYSA-N -1 0 339.348 2.170 20 5 EEBDRM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000151181444 292470444 /nfs/dbraw/zinc/47/04/44/292470444.db2.gz YITLSOQGQWDKFG-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM COC(=O)c1coc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000354211157 162794364 /nfs/dbraw/zinc/79/43/64/162794364.db2.gz ZSMSPIXYCIVYIE-UHFFFAOYSA-N -1 0 340.313 2.084 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[nH]nc1-c1ccncc1 ZINC000356292852 163395520 /nfs/dbraw/zinc/39/55/20/163395520.db2.gz JZGPHQLHFMROAQ-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CCc1cnc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000360169690 164249815 /nfs/dbraw/zinc/24/98/15/164249815.db2.gz UCVZAPFEIQMHLX-UHFFFAOYSA-N -1 0 345.764 2.277 20 5 EEBDRM Cc1ccc(S(=O)(=O)NC(C)(C)C[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000275025585 269085509 /nfs/dbraw/zinc/08/55/09/269085509.db2.gz BPJJOZVQALAXFR-SNVBAGLBSA-N -1 0 344.389 2.071 20 5 EEBDRM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000275261245 269105701 /nfs/dbraw/zinc/10/57/01/269105701.db2.gz IXMMDDKGDUFHDN-ZDUSSCGKSA-N -1 0 344.389 2.023 20 5 EEBDRM Cn1nc([C@H]2CCCO2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000279384138 269275716 /nfs/dbraw/zinc/27/57/16/269275716.db2.gz UNMJAASUAFAZON-CYBMUJFWSA-N -1 0 332.316 2.138 20 5 EEBDRM CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)[O-] ZINC000236706167 278620222 /nfs/dbraw/zinc/62/02/22/278620222.db2.gz SJJWRMOWBAUWKV-UHFFFAOYSA-N -1 0 349.387 2.426 20 5 EEBDRM CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000255050146 292689047 /nfs/dbraw/zinc/68/90/47/292689047.db2.gz ZHJRWSBQCNXWLW-NTMALXAHSA-N -1 0 340.401 2.186 20 5 EEBDRM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000263534248 294651268 /nfs/dbraw/zinc/65/12/68/294651268.db2.gz NUTNSPZKATVQGO-SMDDNHRTSA-N -1 0 336.344 2.032 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H](CC)CN1C(C)=O ZINC000330780126 311785915 /nfs/dbraw/zinc/78/59/15/311785915.db2.gz NHTYKWGIXCBVHM-ZIAGYGMSSA-N -1 0 349.387 2.162 20 5 EEBDRM C[C@H]1Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2NC1=O ZINC000436674217 314987240 /nfs/dbraw/zinc/98/72/40/314987240.db2.gz UMNROJAIQBMROD-MRVPVSSYSA-N -1 0 343.295 2.272 20 5 EEBDRM COCC[C@H](Cc1ccco1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436826316 315002733 /nfs/dbraw/zinc/00/27/33/315002733.db2.gz KFZNHMMJHIXMIX-LLVKDONJSA-N -1 0 334.328 2.271 20 5 EEBDRM COC(=O)C1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCCCC1 ZINC000436953912 315015875 /nfs/dbraw/zinc/01/58/75/315015875.db2.gz SOTKNCRIJBWLEK-UHFFFAOYSA-N -1 0 336.344 2.296 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H](CC)CN1C(C)=O ZINC000436981470 315019385 /nfs/dbraw/zinc/01/93/85/315019385.db2.gz QMKUJBKDEFWITB-OLZOCXBDSA-N -1 0 349.387 2.162 20 5 EEBDRM COc1cc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1O ZINC000436991191 315020730 /nfs/dbraw/zinc/02/07/30/315020730.db2.gz UMTWRPLLYPXKSA-UHFFFAOYSA-N -1 0 332.312 2.287 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000437002259 315022990 /nfs/dbraw/zinc/02/29/90/315022990.db2.gz PVMCRNMZBRCHSA-NEPJUHHUSA-N -1 0 349.387 2.114 20 5 EEBDRM O=C([O-])c1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC000439989287 315106089 /nfs/dbraw/zinc/10/60/89/315106089.db2.gz BHTHOVMIUZIKCT-UHFFFAOYSA-N -1 0 341.323 2.493 20 5 EEBDRM C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000514731740 316417809 /nfs/dbraw/zinc/41/78/09/316417809.db2.gz SFDKZFRBFLQFLU-KCJUWKMLSA-N -1 0 328.752 2.329 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]([C@H]3CCOC3)C2)n1 ZINC000519549426 316789536 /nfs/dbraw/zinc/78/95/36/316789536.db2.gz XJFRYEXUEROPEJ-NEPJUHHUSA-N -1 0 335.360 2.249 20 5 EEBDRM CC[C@@H](Sc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000563207980 318984231 /nfs/dbraw/zinc/98/42/31/318984231.db2.gz SJVBEXRGJGXMPF-CYBMUJFWSA-N -1 0 340.401 2.382 20 5 EEBDRM CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000565831522 319219090 /nfs/dbraw/zinc/21/90/90/319219090.db2.gz VIEFEHOKCXGQBA-PSASIEDQSA-N -1 0 344.389 2.314 20 5 EEBDRM C[C@@H]1CCCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000565893903 319224771 /nfs/dbraw/zinc/22/47/71/319224771.db2.gz DSYMOMQTLFDDAH-SNVBAGLBSA-N -1 0 342.373 2.104 20 5 EEBDRM Cc1cc(N[C@H](C)[C@@H](C)N2CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566291539 319270144 /nfs/dbraw/zinc/27/01/44/319270144.db2.gz LTEMZOGMRFKHJF-VXGBXAGGSA-N -1 0 337.376 2.123 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(F)c3)C2)n1 ZINC000566290663 319270171 /nfs/dbraw/zinc/27/01/71/319270171.db2.gz KVOMUIGGYACKRJ-AWEZNQCLSA-N -1 0 347.302 2.405 20 5 EEBDRM O=C([O-])c1ccnc(N[C@H]2CCO[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000566293473 319270600 /nfs/dbraw/zinc/27/06/00/319270600.db2.gz UNWPUNWBNDGSMO-XPTSAGLGSA-N -1 0 339.373 2.155 20 5 EEBDRM CC(C)(C)[C@H](CCO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000571286143 319741938 /nfs/dbraw/zinc/74/19/38/319741938.db2.gz MLBHCXYETKTZGN-NSHDSACASA-N -1 0 330.768 2.481 20 5 EEBDRM CCCCN(CC)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000571638412 319773000 /nfs/dbraw/zinc/77/30/00/319773000.db2.gz GSKNCCRRSWEOSG-UHFFFAOYSA-N -1 0 330.362 2.104 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000577517159 320260368 /nfs/dbraw/zinc/26/03/68/320260368.db2.gz ABFXQKRSWFHUKD-UHFFFAOYSA-N -1 0 328.328 2.467 20 5 EEBDRM CCCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H](CC)C(=O)[O-] ZINC000580767473 324125241 /nfs/dbraw/zinc/12/52/41/324125241.db2.gz ODJMSUNMVNUSRM-CQSZACIVSA-N -1 0 337.376 2.422 20 5 EEBDRM CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@@H]1O ZINC000583026573 324578329 /nfs/dbraw/zinc/57/83/29/324578329.db2.gz GWELOQBWXCRPCK-NSHDSACASA-N -1 0 328.752 2.187 20 5 EEBDRM COc1ccc(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000327551384 465052179 /nfs/dbraw/zinc/05/21/79/465052179.db2.gz XEHGKTVPXQRPMS-UHFFFAOYSA-N -1 0 347.327 2.360 20 5 EEBDRM CN(Cc1nc2ccccc2n1C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000358737379 465293052 /nfs/dbraw/zinc/29/30/52/465293052.db2.gz PHFALMMDVDEIFD-UHFFFAOYSA-N -1 0 340.339 2.459 20 5 EEBDRM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000013059808 462883388 /nfs/dbraw/zinc/88/33/88/462883388.db2.gz YLSNBOXHJOQKTM-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cnc(-c2ncccn2)s1 ZINC000155971957 462965017 /nfs/dbraw/zinc/96/50/17/462965017.db2.gz BEKQTRGVTZMUNT-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM CC(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])nc1C ZINC000134512993 463049397 /nfs/dbraw/zinc/04/93/97/463049397.db2.gz GHMFJIIFYQOHRC-UHFFFAOYSA-N -1 0 329.312 2.136 20 5 EEBDRM Cc1csc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000146637291 463387584 /nfs/dbraw/zinc/38/75/84/463387584.db2.gz IKHJHHBEVVSDFU-UHFFFAOYSA-N -1 0 347.805 2.492 20 5 EEBDRM CN(CCCC(=O)OC(C)(C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356502504 465421652 /nfs/dbraw/zinc/42/16/52/465421652.db2.gz DEXOJZFHTAMZEI-UHFFFAOYSA-N -1 0 338.360 2.494 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000164615500 463628555 /nfs/dbraw/zinc/62/85/55/463628555.db2.gz BSTUTRCDYNBXJY-SNVBAGLBSA-N -1 0 329.312 2.057 20 5 EEBDRM O=C(CCCNC(=O)c1ccco1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166141481 463652578 /nfs/dbraw/zinc/65/25/78/463652578.db2.gz JDDHQDWVONPFBP-UHFFFAOYSA-N -1 0 333.300 2.042 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCN(CC(F)(F)F)CC1 ZINC000269128770 463884471 /nfs/dbraw/zinc/88/44/71/463884471.db2.gz KJYXPNACQYPLSP-UHFFFAOYSA-N -1 0 347.293 2.011 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000263199654 464061184 /nfs/dbraw/zinc/06/11/84/464061184.db2.gz MGBOAELHWKVNTH-NEPJUHHUSA-N -1 0 336.344 2.075 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000263285795 464077436 /nfs/dbraw/zinc/07/74/36/464077436.db2.gz ZIOWQEZECLCFIV-ZJUUUORDSA-N -1 0 329.312 2.078 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263344781 464088487 /nfs/dbraw/zinc/08/84/87/464088487.db2.gz OIKHWYKZXBDRGI-UWVGGRQHSA-N -1 0 338.385 2.500 20 5 EEBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1 ZINC000179258883 464092970 /nfs/dbraw/zinc/09/29/70/464092970.db2.gz OLBWSYIAXZJDSB-UHFFFAOYSA-N -1 0 335.341 2.302 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000263375189 464094728 /nfs/dbraw/zinc/09/47/28/464094728.db2.gz WLJFSZSHSMVGPM-DTWKUNHWSA-N -1 0 326.736 2.431 20 5 EEBDRM O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-])Nc1ccccc1 ZINC000179497649 464147576 /nfs/dbraw/zinc/14/75/76/464147576.db2.gz SAVOGGVMEISXKC-UHFFFAOYSA-N -1 0 329.312 2.059 20 5 EEBDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000237060019 464258685 /nfs/dbraw/zinc/25/86/85/464258685.db2.gz WUYUEWSFDNUBPI-UHFFFAOYSA-N -1 0 329.312 2.147 20 5 EEBDRM C[C@H](CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000237634667 464355764 /nfs/dbraw/zinc/35/57/64/464355764.db2.gz PIOCDSAPCCIETJ-LLVKDONJSA-N -1 0 335.360 2.178 20 5 EEBDRM O=C([O-])CC[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000238017671 464419209 /nfs/dbraw/zinc/41/92/09/464419209.db2.gz NZNXCRUDASNDAH-SNVBAGLBSA-N -1 0 346.343 2.188 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000294378449 464484486 /nfs/dbraw/zinc/48/44/86/464484486.db2.gz WMWITIKFPAXVDR-OAHLLOKOSA-N -1 0 332.356 2.332 20 5 EEBDRM CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2C1 ZINC000181980796 464545229 /nfs/dbraw/zinc/54/52/29/464545229.db2.gz ADNKPBYEOPZCJU-UHFFFAOYSA-N -1 0 327.340 2.393 20 5 EEBDRM C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000285906630 464739224 /nfs/dbraw/zinc/73/92/24/464739224.db2.gz YQUFRYORZFFPLN-SECBINFHSA-N -1 0 339.348 2.400 20 5 EEBDRM O=C(Nc1cccnc1-n1cccn1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183382679 464858047 /nfs/dbraw/zinc/85/80/47/464858047.db2.gz ZGUMQJOFPPONHH-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM Cc1noc([C@@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000286469135 464929263 /nfs/dbraw/zinc/92/92/63/464929263.db2.gz QAROAJNKIZBANC-LBPRGKRZSA-N -1 0 332.316 2.359 20 5 EEBDRM Cc1noc([C@H]2CCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)n1 ZINC000356464466 465398666 /nfs/dbraw/zinc/39/86/66/465398666.db2.gz QLKMPEMUSXUEDJ-JTQLQIEISA-N -1 0 332.316 2.012 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000593919674 468434955 /nfs/dbraw/zinc/43/49/55/468434955.db2.gz ANUUBLZLDRUUCV-INIZCTEOSA-N -1 0 334.328 2.031 20 5 EEBDRM Cc1nc(C=CC=Cc2ccccc2[N+](=O)[O-])[nH]c(=O)c1CC(=O)[O-] ZINC000349107463 465972009 /nfs/dbraw/zinc/97/20/09/465972009.db2.gz JXWAPPXYAPNZKU-NINQLNBYSA-N -1 0 341.323 2.340 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000357390461 466000481 /nfs/dbraw/zinc/00/04/81/466000481.db2.gz PNPFICAJMMRUSV-UHFFFAOYSA-N -1 0 336.373 2.165 20 5 EEBDRM CCN(CC(=O)N1CCCCCC1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000331953732 466322028 /nfs/dbraw/zinc/32/20/28/466322028.db2.gz HNOZPQQCPDAEDC-UHFFFAOYSA-N -1 0 349.387 2.165 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccn(CC(F)F)n1 ZINC000362017128 466484191 /nfs/dbraw/zinc/48/41/91/466484191.db2.gz QONAUBUABAQBAA-UHFFFAOYSA-N -1 0 346.315 2.166 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](CO)C2CCCCC2)n1 ZINC000581550705 468495054 /nfs/dbraw/zinc/49/50/54/468495054.db2.gz LQGJHQGYOMOCNT-LBPRGKRZSA-N -1 0 337.376 2.597 20 5 EEBDRM CCn1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000362136481 466580744 /nfs/dbraw/zinc/58/07/44/466580744.db2.gz XBCICGBAWPBLTK-UHFFFAOYSA-N -1 0 347.356 2.160 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(O)c1 ZINC000323092056 466636169 /nfs/dbraw/zinc/63/61/69/466636169.db2.gz JZZGBRBQBMJJLB-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCOc2c(F)cccc2C1 ZINC000375901098 466881888 /nfs/dbraw/zinc/88/18/88/466881888.db2.gz ATXFGWZEVVZPDX-UHFFFAOYSA-N -1 0 332.287 2.474 20 5 EEBDRM O=C([O-])c1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000432118835 467216717 /nfs/dbraw/zinc/21/67/17/467216717.db2.gz ZUBSLWCSLFFPJM-UHFFFAOYSA-N -1 0 326.308 2.492 20 5 EEBDRM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432577233 467250887 /nfs/dbraw/zinc/25/08/87/467250887.db2.gz YGMKRBPVEFELGX-UHFFFAOYSA-N -1 0 341.323 2.445 20 5 EEBDRM O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436636062 467548161 /nfs/dbraw/zinc/54/81/61/467548161.db2.gz SMWBTJRYZRZMGB-UHFFFAOYSA-N -1 0 342.311 2.296 20 5 EEBDRM O=C([O-])c1cc(N2CCC([C@@H](O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000514606294 467943859 /nfs/dbraw/zinc/94/38/59/467943859.db2.gz WYASUCCTALFWBE-GFCCVEGCSA-N -1 0 348.277 2.433 20 5 EEBDRM CC(C)NC(=O)c1ccc(N2CCC[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000515046678 467970321 /nfs/dbraw/zinc/97/03/21/467970321.db2.gz VWHGYCMAFNZGRB-LBPRGKRZSA-N -1 0 349.387 2.424 20 5 EEBDRM CC(C)n1cnnc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000517031398 468067287 /nfs/dbraw/zinc/06/72/87/468067287.db2.gz FZNXKSKBQHZJPV-UHFFFAOYSA-N -1 0 339.739 2.056 20 5 EEBDRM C[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])Cc2ccccc2O1 ZINC000567985434 468249885 /nfs/dbraw/zinc/24/98/85/468249885.db2.gz XLHHFESCFUUTFI-SNVBAGLBSA-N -1 0 329.312 2.476 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cnn(CCF)c2)c1 ZINC000600659018 468612373 /nfs/dbraw/zinc/61/23/73/468612373.db2.gz CUEXAQCZLYDVHN-UHFFFAOYSA-N -1 0 342.352 2.178 20 5 EEBDRM CC1(C)CCC[C@@](NC(=O)c2cccc([N+](=O)[O-])c2N)(C(=O)[O-])C1 ZINC000600869962 468671389 /nfs/dbraw/zinc/67/13/89/468671389.db2.gz OTZXCZJLVOLOMM-INIZCTEOSA-N -1 0 335.360 2.330 20 5 EEBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000597868001 468698924 /nfs/dbraw/zinc/69/89/24/468698924.db2.gz FGZKBMRDQYYZBN-JTQLQIEISA-N -1 0 338.360 2.493 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C(=O)NCc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000570923178 468714045 /nfs/dbraw/zinc/71/40/45/468714045.db2.gz JVYZAPPJFIZZCB-CYBMUJFWSA-N -1 0 335.360 2.440 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2Cc3cccc(O)c3C2)n1 ZINC000571332480 468773190 /nfs/dbraw/zinc/77/31/90/468773190.db2.gz XSTAMMDYBAOLEG-JTQLQIEISA-N -1 0 329.312 2.281 20 5 EEBDRM C[C@H]1CC[C@@](NC(=O)COc2cccc([N+](=O)[O-])c2)(C(=O)[O-])CC1 ZINC000595245690 468791929 /nfs/dbraw/zinc/79/19/29/468791929.db2.gz QNXZIACTRLWLJC-SXUIPJSXSA-N -1 0 336.344 2.123 20 5 EEBDRM C[C@@H](CC(=O)[O-])N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000584124955 468804812 /nfs/dbraw/zinc/80/48/12/468804812.db2.gz WMZORFDVAWSDHN-NSHDSACASA-N -1 0 335.360 2.130 20 5 EEBDRM CCn1nccc1C1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000592975456 468831958 /nfs/dbraw/zinc/83/19/58/468831958.db2.gz RACKPKAXPQCYDP-UHFFFAOYSA-N -1 0 345.359 2.288 20 5 EEBDRM Cc1nc(N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)ncc1[N+](=O)[O-] ZINC000592982616 468833287 /nfs/dbraw/zinc/83/32/87/468833287.db2.gz LINHZJFMMIPTPZ-SECBINFHSA-N -1 0 335.345 2.189 20 5 EEBDRM C/C=C\C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000584389437 468859050 /nfs/dbraw/zinc/85/90/50/468859050.db2.gz WOGKHGJNDFPPCM-ZRMMWKCHSA-N -1 0 333.344 2.318 20 5 EEBDRM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000618250175 469939766 /nfs/dbraw/zinc/93/97/66/469939766.db2.gz QWXMPAUXBZEAIE-GFCCVEGCSA-N -1 0 328.324 2.293 20 5 EEBDRM COc1ccccc1NCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738138465 578000663 /nfs/dbraw/zinc/00/06/63/578000663.db2.gz ZFIBFBVRLXSOBN-UHFFFAOYSA-N -1 0 345.311 2.352 20 5 EEBDRM CSC[C@](C)(O)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000738188438 578003043 /nfs/dbraw/zinc/00/30/43/578003043.db2.gz LUPVXUNVJRJNIR-YVARQFDVSA-N -1 0 326.374 2.219 20 5 EEBDRM COc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2O)cc1[N+](=O)[O-] ZINC000737985399 576022588 /nfs/dbraw/zinc/02/25/88/576022588.db2.gz WNULBUQOBGLMNG-UHFFFAOYSA-N -1 0 346.295 2.188 20 5 EEBDRM CC(C)CCS(=O)(=O)[N-]C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000732512484 577182999 /nfs/dbraw/zinc/18/29/99/577182999.db2.gz XMZONBYVAYXSDF-UHFFFAOYSA-N -1 0 339.373 2.182 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000767185571 577532046 /nfs/dbraw/zinc/53/20/46/577532046.db2.gz LZRWTYNZSCMZME-UHFFFAOYSA-N -1 0 335.360 2.036 20 5 EEBDRM COCC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000768890877 577565166 /nfs/dbraw/zinc/56/51/66/577565166.db2.gz XACMNDMJUNNHHF-SNVBAGLBSA-N -1 0 346.386 2.305 20 5 EEBDRM Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)n2C)cc1[N+](=O)[O-] ZINC000769620216 577581485 /nfs/dbraw/zinc/58/14/85/577581485.db2.gz MGPCARYTCBCSAH-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000758425917 577624574 /nfs/dbraw/zinc/62/45/74/577624574.db2.gz FJLGZMUGSKTAHB-UHFFFAOYSA-N -1 0 328.737 2.147 20 5 EEBDRM Cc1cc(Cl)c(S(=O)(=O)NCc2ccn(C)c2)cc1[N+](=O)[O-] ZINC000752252920 577767948 /nfs/dbraw/zinc/76/79/48/577767948.db2.gz JGBBVLPDOFLOKT-UHFFFAOYSA-N -1 0 343.792 2.374 20 5 EEBDRM C[C@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000753801702 577793925 /nfs/dbraw/zinc/79/39/25/577793925.db2.gz KYKASCSFQRTYIY-UMYFRRCYSA-N -1 0 342.348 2.285 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc21 ZINC000744041437 577892495 /nfs/dbraw/zinc/89/24/95/577892495.db2.gz UWFNWMSEEYCZCN-AWEZNQCLSA-N -1 0 346.364 2.048 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CC(Oc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000738669489 578023346 /nfs/dbraw/zinc/02/33/46/578023346.db2.gz OYYLAHOCQBGSRD-UHFFFAOYSA-N -1 0 342.307 2.196 20 5 EEBDRM NC(=O)c1cnc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(Cl)c1 ZINC000739183879 578043068 /nfs/dbraw/zinc/04/30/68/578043068.db2.gz LQEQHVFEMKPJLO-UHFFFAOYSA-N -1 0 337.675 2.233 20 5 EEBDRM O=C([O-])[C@@H]1CC12CCN(C(=S)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000739532721 578057046 /nfs/dbraw/zinc/05/70/46/578057046.db2.gz PEYVUXWQWDDUQJ-LBPRGKRZSA-N -1 0 335.385 2.478 20 5 EEBDRM O=C([O-])c1cc(Oc2cc(-n3ccnc3)ncn2)ccc1[N+](=O)[O-] ZINC000740087728 578080354 /nfs/dbraw/zinc/08/03/54/578080354.db2.gz MCTMSTQLIRSCAG-UHFFFAOYSA-N -1 0 327.256 2.061 20 5 EEBDRM O=C([O-])c1csc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000740277530 578088765 /nfs/dbraw/zinc/08/87/65/578088765.db2.gz KOFCKGRSJVLMIU-UHFFFAOYSA-N -1 0 347.301 2.261 20 5 EEBDRM C[C@H](Oc1cccnc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736706686 578219422 /nfs/dbraw/zinc/21/94/22/578219422.db2.gz CLMDSKLLLUCXOC-VIFPVBQESA-N -1 0 331.284 2.094 20 5 EEBDRM CN(C)c1ncccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737383426 578253958 /nfs/dbraw/zinc/25/39/58/578253958.db2.gz GEZXSJFNAYEGPD-UHFFFAOYSA-N -1 0 330.300 2.006 20 5 EEBDRM O=C([O-])[C@@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000794401556 596900388 /nfs/dbraw/zinc/90/03/88/596900388.db2.gz OLWKEKSBPGBOGT-ZCFIWIBFSA-N -1 0 349.221 2.433 20 5 EEBDRM O=C([O-])COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000122565255 597663473 /nfs/dbraw/zinc/66/34/73/597663473.db2.gz GIXUVLQLQFBOEC-UHFFFAOYSA-N -1 0 327.090 2.369 20 5 EEBDRM O=C([O-])[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000821512129 598125232 /nfs/dbraw/zinc/12/52/32/598125232.db2.gz AHMABLQCPKSZSD-OAHLLOKOSA-N -1 0 332.312 2.140 20 5 EEBDRM O=C([O-])c1ccccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000821474585 598210377 /nfs/dbraw/zinc/21/03/77/598210377.db2.gz IZTVBQKGMRUASM-UHFFFAOYSA-N -1 0 330.252 2.274 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)NCCCCC(=O)[O-])cc1SC ZINC000262307055 599932693 /nfs/dbraw/zinc/93/26/93/599932693.db2.gz CKXVFKWWUXYNKP-UHFFFAOYSA-N -1 0 342.373 2.310 20 5 EEBDRM O=C([O-])CCSCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000739743968 600261206 /nfs/dbraw/zinc/26/12/06/600261206.db2.gz KVINJWNOHDERTQ-UHFFFAOYSA-N -1 0 337.357 2.014 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000833177948 601081243 /nfs/dbraw/zinc/08/12/43/601081243.db2.gz CVPIXKPPFVWDDA-YPMHNXCESA-N -1 0 335.360 2.419 20 5 EEBDRM COC[C@](C)(CC(=O)[O-])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000831559613 601296895 /nfs/dbraw/zinc/29/68/95/601296895.db2.gz UJBKNSNXTMDVKH-ZDUSSCGKSA-N -1 0 345.739 2.250 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704629 601380672 /nfs/dbraw/zinc/38/06/72/601380672.db2.gz ZUNXYHCUWXKCTH-GARJFASQSA-N -1 0 335.360 2.032 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(NCCC2CCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704216 601562698 /nfs/dbraw/zinc/56/26/98/601562698.db2.gz VOLQKSBIGGHNKW-SNVBAGLBSA-N -1 0 335.360 2.400 20 5 EEBDRM CCCCC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)[O-] ZINC000829326089 601644880 /nfs/dbraw/zinc/64/48/80/601644880.db2.gz CWZLHIBZPGWNHE-JTQLQIEISA-N -1 0 338.316 2.087 20 5 EEBDRM CCOCCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)[O-])=C1C ZINC000830007120 601816303 /nfs/dbraw/zinc/81/63/03/601816303.db2.gz JQAFPZNPXLALKB-CQSZACIVSA-N -1 0 349.343 2.056 20 5 EEBDRM Cc1cc(N2CCC[C@@H](C3OCCO3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890482 602316034 /nfs/dbraw/zinc/31/60/34/602316034.db2.gz GHOWVYUBFUOPHQ-LLVKDONJSA-N -1 0 336.344 2.191 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1[N+](=O)[O-] ZINC000827097626 604932738 /nfs/dbraw/zinc/93/27/38/604932738.db2.gz UNKHROJURPWLEQ-LLVKDONJSA-N -1 0 338.364 2.205 20 5 EEBDRM CC[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833646495 605017171 /nfs/dbraw/zinc/01/71/71/605017171.db2.gz RSLQYSQMQXQWQX-SECBINFHSA-N -1 0 332.106 2.377 20 5 EEBDRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000833669318 605094351 /nfs/dbraw/zinc/09/43/51/605094351.db2.gz FTCSXXIWSLDDLB-HNNXBMFYSA-N -1 0 344.323 2.419 20 5 EEBDRM CC1=C(C(=O)[O-])[C@@H](c2ccc([N+](=O)[O-])cc2Cl)NC(=O)N1C ZINC000833579126 605340674 /nfs/dbraw/zinc/34/06/74/605340674.db2.gz XSDXPXQHGATPMT-LLVKDONJSA-N -1 0 325.708 2.303 20 5 EEBDRM C[S@](=O)c1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120249555 674822729 /nfs/dbraw/zinc/82/27/29/674822729.db2.gz HZZOBRFWGVNWDP-HXUWFJFHSA-N -1 0 346.411 2.195 20 5 EEBDRM O=C(Cn1cc([N+](=O)[O-])cn1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000178991672 683863633 /nfs/dbraw/zinc/86/36/33/683863633.db2.gz VMPMFZIVQIBUKL-UHFFFAOYSA-N -1 0 344.249 2.058 20 5 EEBDRM CCCC[C@@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C(=O)[O-] ZINC000263541672 690113999 /nfs/dbraw/zinc/11/39/99/690113999.db2.gz DEWZPABCKVWPPZ-SNVBAGLBSA-N -1 0 325.321 2.140 20 5 EEBDRM Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120624909 1198273520 /nfs/dbraw/zinc/27/35/20/1198273520.db2.gz ACGQZXZLLNMXGY-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CCCC1CC1 ZINC000813061650 1201074558 /nfs/dbraw/zinc/07/45/58/1201074558.db2.gz ONYUSMPLKAMZOZ-UHFFFAOYSA-N -1 0 326.374 2.288 20 5 EEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)CCc2ccccc2)c1[N+](=O)[O-] ZINC000195077146 1211310445 /nfs/dbraw/zinc/31/04/45/1211310445.db2.gz FQVPAYCOEGPGNY-UHFFFAOYSA-N -1 0 348.380 2.206 20 5 EEBDRM O=[N+]([O-])c1c([O-])cccc1O[C@@H]1CCN(c2ccnc(Cl)n2)C1 ZINC001225620701 1301095752 /nfs/dbraw/zinc/09/57/52/1301095752.db2.gz SSLNWUDILWHTCX-SECBINFHSA-N -1 0 336.735 2.402 20 5 EEBDRM COc1nc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(=O)[n-]1 ZINC001227000801 1301646151 /nfs/dbraw/zinc/64/61/51/1301646151.db2.gz RXWUHUGXLVRRRB-UHFFFAOYSA-N -1 0 346.343 2.147 20 5 EEBDRM CSc1nc(O[C@H](C)c2ccncc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227629772 1301916604 /nfs/dbraw/zinc/91/66/04/1301916604.db2.gz YBEIAUXNXWYKRG-ZCFIWIBFSA-N -1 0 326.309 2.486 20 5 EEBDRM COC(=O)[C@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001231265096 1303711735 /nfs/dbraw/zinc/71/17/35/1303711735.db2.gz XUKXHDGCGGRVKM-CYBMUJFWSA-N -1 0 336.275 2.436 20 5 EEBDRM CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000781803880 1303867930 /nfs/dbraw/zinc/86/79/30/1303867930.db2.gz UAYQUJRQYKKZDO-MRVPVSSYSA-N -1 0 332.403 2.288 20 5 EEBDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)cc1[N+](=O)[O-] ZINC000784505185 1304491762 /nfs/dbraw/zinc/49/17/62/1304491762.db2.gz HUTLMPXSBJAORV-UHFFFAOYSA-N -1 0 343.405 2.033 20 5 EEBDRM CN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])C1CC1 ZINC000798165832 1304934723 /nfs/dbraw/zinc/93/47/23/1304934723.db2.gz RUGYKBVAVCAYOW-UHFFFAOYSA-N -1 0 336.735 2.374 20 5 EEBDRM COC(OC)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000798268266 1304966822 /nfs/dbraw/zinc/96/68/22/1304966822.db2.gz HYAKCTSMKHDWDY-HNNXBMFYSA-N -1 0 346.339 2.390 20 5 EEBDRM CC[C@@H](O)C(=O)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234743746 1305017297 /nfs/dbraw/zinc/01/72/97/1305017297.db2.gz GKEGRZFQTUQXDT-LLVKDONJSA-N -1 0 330.292 2.034 20 5 EEBDRM O=C(Nc1nnc(-c2ccncc2)s1)c1cccc([N+](=O)[O-])c1[O-] ZINC001116309685 1305873596 /nfs/dbraw/zinc/87/35/96/1305873596.db2.gz NXXIQVJSFGRURE-UHFFFAOYSA-N -1 0 343.324 2.466 20 5 EEBDRM CC(C)[C@@H](CO)O[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000836899894 1315040940 /nfs/dbraw/zinc/04/09/40/1315040940.db2.gz FDHRUQPFMMVWIQ-GXFFZTMASA-N -1 0 328.390 2.140 20 5 EEBDRM C/C(=C/C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000842404959 1315698460 /nfs/dbraw/zinc/69/84/60/1315698460.db2.gz CXTUELDFUVMVDC-NTMALXAHSA-N -1 0 338.385 2.206 20 5 EEBDRM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccsc1[N+](=O)[O-] ZINC001256175168 1318666172 /nfs/dbraw/zinc/66/61/72/1318666172.db2.gz GFERVVGRQPVTDQ-UHFFFAOYSA-N -1 0 348.383 2.305 20 5 EEBDRM COc1nc(Nc2c(C)c(=O)[n-]n2-c2ccccc2)ncc1[N+](=O)[O-] ZINC001163109606 1321038315 /nfs/dbraw/zinc/03/83/15/1321038315.db2.gz HJMBWRUFQLAIQK-UHFFFAOYSA-N -1 0 342.315 2.337 20 5 EEBDRM C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001261439866 1322103895 /nfs/dbraw/zinc/10/38/95/1322103895.db2.gz YDHWJVGLZMLHIF-GWCFXTLKSA-N -1 0 326.374 2.226 20 5 EEBDRM O=C([O-])C1CC(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001601286195 1350249545 /nfs/dbraw/zinc/24/95/45/1350249545.db2.gz PVMIDJMFTGJZJL-UHFFFAOYSA-N -1 0 326.736 2.160 20 5 EEBDRM O=C([O-])c1cnc(NCCn2cc([N+](=O)[O-])cn2)c(C(F)(F)F)c1 ZINC001602533174 1350540436 /nfs/dbraw/zinc/54/04/36/1350540436.db2.gz ZBSGACUELQYDBJ-UHFFFAOYSA-N -1 0 345.237 2.015 20 5 EEBDRM COc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c1C ZINC001605318292 1351134965 /nfs/dbraw/zinc/13/49/65/1351134965.db2.gz RIFSRFQVALUBKZ-UHFFFAOYSA-N -1 0 341.331 2.099 20 5 EEBDRM Cn1c(C(=O)[O-])ccc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001608083896 1351621663 /nfs/dbraw/zinc/62/16/63/1351621663.db2.gz RCEHYOJVLJFXJP-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM Cn1cc(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cc1C(=O)[O-] ZINC001608119829 1351628833 /nfs/dbraw/zinc/62/88/33/1351628833.db2.gz KFRFLYZQUFVHJH-UHFFFAOYSA-N -1 0 344.327 2.267 20 5 EEBDRM Cn1ncc(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1C1CC1 ZINC001608156123 1351636775 /nfs/dbraw/zinc/63/67/75/1351636775.db2.gz JTGZGJLCSMGLCT-UHFFFAOYSA-N -1 0 345.311 2.261 20 5 EEBDRM CSCC1CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001309914806 1331647313 /nfs/dbraw/zinc/64/73/13/1331647313.db2.gz IHZZRGADZSCPBJ-UHFFFAOYSA-N -1 0 346.430 2.064 20 5 EEBDRM O=C([O-])c1c(Cl)c(NCC[C@]2(O)CCCOC2)ccc1[N+](=O)[O-] ZINC001608830411 1351773460 /nfs/dbraw/zinc/77/34/60/1351773460.db2.gz NGGAZWOVQNSBDM-CQSZACIVSA-N -1 0 344.751 2.290 20 5 EEBDRM O=C([O-])c1ccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC001608882597 1351785946 /nfs/dbraw/zinc/78/59/46/1351785946.db2.gz FGNBLXVQEYVQIM-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC001608905679 1351791062 /nfs/dbraw/zinc/79/10/62/1351791062.db2.gz LPTDHMCYCNVVDW-UHFFFAOYSA-N -1 0 331.236 2.241 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC[C@@H](NC2CC2)C(F)(F)F)n1 ZINC001608915167 1351793428 /nfs/dbraw/zinc/79/34/28/1351793428.db2.gz HKZXBEBQLWMNME-SNVBAGLBSA-N -1 0 348.281 2.173 20 5 EEBDRM O=C([O-])c1cccc2c1CCN(c1cc(F)c([N+](=O)[O-])cc1CO)C2 ZINC001608940615 1351799108 /nfs/dbraw/zinc/79/91/08/1351799108.db2.gz FFKWNTPDCJZKFR-UHFFFAOYSA-N -1 0 346.314 2.487 20 5 EEBDRM CC1=C(C(=O)[O-])[C@H](c2cc([N+](=O)[O-])ccc2Cl)NC(=S)N1 ZINC001609825912 1352094904 /nfs/dbraw/zinc/09/49/04/1352094904.db2.gz BBBVIYYQHYJXSH-JTQLQIEISA-N -1 0 327.749 2.126 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001609852401 1352102309 /nfs/dbraw/zinc/10/23/09/1352102309.db2.gz IGYIPSQBOMMPCS-NEPJUHHUSA-N -1 0 349.387 2.424 20 5 EEBDRM CC[C@](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)(C(=O)[O-])c1ccccc1 ZINC001609919115 1352119687 /nfs/dbraw/zinc/11/96/87/1352119687.db2.gz AAHGNVDCTNDHLN-MRXNPFEDSA-N -1 0 331.328 2.085 20 5 EEBDRM CCC1(O)CCC(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001609942436 1352125858 /nfs/dbraw/zinc/12/58/58/1352125858.db2.gz GEAPPOKBWZZEGM-UHFFFAOYSA-N -1 0 336.344 2.107 20 5 EEBDRM Cc1[nH]c(C(=O)OCCOc2cccc([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC001610404327 1352217519 /nfs/dbraw/zinc/21/75/19/1352217519.db2.gz LJDJCLBRYPEGLS-UHFFFAOYSA-N -1 0 348.311 2.474 20 5 EEBDRM Cc1ccc(OC[C@@H](O)COc2cccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001610512203 1352236290 /nfs/dbraw/zinc/23/62/90/1352236290.db2.gz ZORVWNAXSODQDV-GFCCVEGCSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1nn(CN2CCc3cccc(C(=O)[O-])c3C2)c(C)c1[N+](=O)[O-] ZINC001610572444 1352246970 /nfs/dbraw/zinc/24/69/70/1352246970.db2.gz LYWRTWFEIIQTGD-UHFFFAOYSA-N -1 0 330.344 2.122 20 5 EEBDRM O=C([O-])c1ccc(COC(=O)CCOc2ccccc2[N+](=O)[O-])nc1 ZINC001610658275 1352258138 /nfs/dbraw/zinc/25/81/38/1352258138.db2.gz AJDNFOVPHOXZRO-UHFFFAOYSA-N -1 0 346.295 2.200 20 5 EEBDRM O=C([O-])c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])nc1C1CC1 ZINC001610697434 1352261278 /nfs/dbraw/zinc/26/12/78/1352261278.db2.gz LRSHZUGNQARLNC-UHFFFAOYSA-N -1 0 341.323 2.495 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001610654982 1352257927 /nfs/dbraw/zinc/25/79/27/1352257927.db2.gz SXDGMAFHJWIEMS-KGLIPLIRSA-N -1 0 348.355 2.317 20 5 EEBDRM O=C([O-])[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1c1ccccc1 ZINC001610802429 1352277088 /nfs/dbraw/zinc/27/70/88/1352277088.db2.gz GTBOFTJMEMESKP-CHWSQXEVSA-N -1 0 331.303 2.434 20 5 EEBDRM O=C([O-])c1cnc(NCc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1 ZINC001610863549 1352286909 /nfs/dbraw/zinc/28/69/09/1352286909.db2.gz LRQRKPIVAQZHPG-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1F ZINC001610841638 1352283559 /nfs/dbraw/zinc/28/35/59/1352283559.db2.gz NQTAOAJJPZNQPE-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM O=C([O-])c1cccc(C(=O)COC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001610843845 1352283899 /nfs/dbraw/zinc/28/38/99/1352283899.db2.gz MJMBLVLQEOUTMS-UHFFFAOYSA-N -1 0 345.263 2.038 20 5 EEBDRM C[C@@H](c1ccc(F)c(Cl)c1)n1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1 ZINC001590040960 1349121918 /nfs/dbraw/zinc/12/19/18/1349121918.db2.gz VCUOTEXKMOULEW-LURJTMIESA-N -1 0 337.702 2.373 20 5 EEBDRM Cc1c(NC(=O)NC[C@@H](C)C[C@H](C)O)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600038775 1349959686 /nfs/dbraw/zinc/95/96/86/1349959686.db2.gz CVFKXAYIOAFWEM-IUCAKERBSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1c(NC(=O)N[C@H](C)[C@@H]2CCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039922 1349960244 /nfs/dbraw/zinc/96/02/44/1349960244.db2.gz KJGARODNWOUNIW-NXEZZACHSA-N -1 0 337.332 2.148 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001600165309 1349983943 /nfs/dbraw/zinc/98/39/43/1349983943.db2.gz RWDFACSZVJDKNO-UHFFFAOYSA-N -1 0 344.327 2.355 20 5 EEBDRM Cc1cc(N2CCC(n3cc(C(=O)[O-])nn3)CC2)c(F)cc1[N+](=O)[O-] ZINC001600240080 1349999623 /nfs/dbraw/zinc/99/96/23/1349999623.db2.gz OOIYMCXYWWABJA-UHFFFAOYSA-N -1 0 349.322 2.174 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1F ZINC001600304297 1350015481 /nfs/dbraw/zinc/01/54/81/1350015481.db2.gz VIQNMZRYGZIYTP-AYVTZFPOSA-N -1 0 342.298 2.364 20 5 EEBDRM Cc1ccc(NC(=O)N2CCSC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600452698 1350055632 /nfs/dbraw/zinc/05/56/32/1350055632.db2.gz UGXOPUDFAIZVEN-SNVBAGLBSA-N -1 0 339.373 2.185 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1[N+](=O)[O-] ZINC001600767959 1350132183 /nfs/dbraw/zinc/13/21/83/1350132183.db2.gz AKKBHSOZWKLXSN-UHFFFAOYSA-N -1 0 336.279 2.035 20 5 EEBDRM O=C([O-])[C@H](CC1CCCCC1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001601299597 1350252396 /nfs/dbraw/zinc/25/23/96/1350252396.db2.gz AQZITTNKZAKSSC-ZDUSSCGKSA-N -1 0 339.348 2.148 20 5 EEBDRM O=C([O-])c1cc(OCCOC(=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001601367572 1350268165 /nfs/dbraw/zinc/26/81/65/1350268165.db2.gz PKNDAJOOSGUEPF-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])[C@H](CCF)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001601414763 1350279591 /nfs/dbraw/zinc/27/95/91/1350279591.db2.gz UURZLCRWWSLHQG-QMMMGPOBSA-N -1 0 338.213 2.156 20 5 EEBDRM O=C([O-])[C@]1(F)CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC001601716794 1350346784 /nfs/dbraw/zinc/34/67/84/1350346784.db2.gz HPLHTDUQHGGASX-ZDUSSCGKSA-N -1 0 342.714 2.054 20 5 EEBDRM O=C([O-])C1=NO[C@]2(CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC001601746604 1350354506 /nfs/dbraw/zinc/35/45/06/1350354506.db2.gz KQJKRNFQUBCKLG-CQSZACIVSA-N -1 0 339.735 2.054 20 5 EEBDRM O=C([O-])/C=C\c1ccc(N[C@H](CCO)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001601881493 1350389507 /nfs/dbraw/zinc/38/95/07/1350389507.db2.gz BEMLJIKSFWKGPR-CJHWANRJSA-N -1 0 334.250 2.418 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001601900874 1350392891 /nfs/dbraw/zinc/39/28/91/1350392891.db2.gz JKRWKCGVIYSEOY-LBPRGKRZSA-N -1 0 336.344 2.123 20 5 EEBDRM O=C([O-])Cc1cccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC001602135805 1350447008 /nfs/dbraw/zinc/44/70/08/1350447008.db2.gz PLBWYQUZRPIUNK-UHFFFAOYSA-N -1 0 347.302 2.327 20 5 EEBDRM O=C([O-])Cc1cccc(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC001602141078 1350449039 /nfs/dbraw/zinc/44/90/39/1350449039.db2.gz NQERAKWLQLCTJY-CQSZACIVSA-N -1 0 346.339 2.074 20 5 EEBDRM O=C([O-])Cc1ccccc1COC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001602147360 1350451232 /nfs/dbraw/zinc/45/12/32/1350451232.db2.gz FRXZOZFXABVOQP-UHFFFAOYSA-N -1 0 344.323 2.377 20 5 EEBDRM O=C([O-])Cc1sccc1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC001602158188 1350454636 /nfs/dbraw/zinc/45/46/36/1350454636.db2.gz GMOKVRGTGHLNHY-UHFFFAOYSA-N -1 0 346.364 2.482 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2COC[C@@H]2C1 ZINC001602298934 1350488302 /nfs/dbraw/zinc/48/83/02/1350488302.db2.gz JURKIOUOCRJVGT-IUCAKERBSA-N -1 0 326.736 2.419 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2cc(F)cc3cccnc32)c1=O ZINC001602300394 1350488325 /nfs/dbraw/zinc/48/83/25/1350488325.db2.gz FULAGCDNUCXFHE-UHFFFAOYSA-N -1 0 343.270 2.190 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CCC(Cl)(Cl)Cl)c1 ZINC001602299911 1350488364 /nfs/dbraw/zinc/48/83/64/1350488364.db2.gz VTQGMDMWMGVDQG-UHFFFAOYSA-N -1 0 329.523 2.215 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001602402638 1350511016 /nfs/dbraw/zinc/51/10/16/1350511016.db2.gz DCBYVDOREANROV-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CC3(CO2)CCOCC3)c1 ZINC001602405082 1350512008 /nfs/dbraw/zinc/51/20/08/1350512008.db2.gz KMWSUJMTOOGXBG-LBPRGKRZSA-N -1 0 336.344 2.291 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC001602467133 1350525839 /nfs/dbraw/zinc/52/58/39/1350525839.db2.gz KENJMMMVNYMFEO-UHFFFAOYSA-N -1 0 340.335 2.420 20 5 EEBDRM O=C([O-])c1ccnc(N2CCC=C(c3ccncc3)C2)c1[N+](=O)[O-] ZINC001602480376 1350528774 /nfs/dbraw/zinc/52/87/74/1350528774.db2.gz RFMSDZYMKJYCEM-UHFFFAOYSA-N -1 0 326.312 2.377 20 5 EEBDRM CC(C)(C(=O)[O-])n1cc(Nc2c3ccccc3ncc2[N+](=O)[O-])cn1 ZINC001603288885 1350681084 /nfs/dbraw/zinc/68/10/84/1350681084.db2.gz YYYNRJDOJPXBEV-UHFFFAOYSA-N -1 0 341.327 2.325 20 5 EEBDRM CCc1oc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001605892087 1351248490 /nfs/dbraw/zinc/24/84/90/1351248490.db2.gz NDHGKNWXFDKXIT-QGZVFWFLSA-N -1 0 348.355 2.446 20 5 EEBDRM COc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607068450 1351406434 /nfs/dbraw/zinc/40/64/34/1351406434.db2.gz WHUCIVDCQBOTCD-PRHODGIISA-N -1 0 340.307 2.068 20 5 EEBDRM COc1ccc(OCCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001607282305 1351464750 /nfs/dbraw/zinc/46/47/50/1351464750.db2.gz PGXKGWXOEJQLCI-UHFFFAOYSA-N -1 0 333.300 2.188 20 5 EEBDRM COc1ccccc1OCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607348225 1351479704 /nfs/dbraw/zinc/47/97/04/1351479704.db2.gz JRXNNNPNNZCIDB-UHFFFAOYSA-N -1 0 333.300 2.188 20 5 EEBDRM Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)nc(C)c1C(=O)[O-] ZINC001607692897 1351541050 /nfs/dbraw/zinc/54/10/50/1351541050.db2.gz ROGLFZJQWUACIK-UHFFFAOYSA-N -1 0 348.290 2.278 20 5 EEBDRM Cc1cc(NCc2ncc3c(n2)CCOC3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001607695831 1351541340 /nfs/dbraw/zinc/54/13/40/1351541340.db2.gz SCUDJGHZDCHPAC-UHFFFAOYSA-N -1 0 344.327 2.076 20 5 EEBDRM Cc1cccc2nc(CNc3nc(C(=O)[O-])ccc3[N+](=O)[O-])cn21 ZINC001607868353 1351575355 /nfs/dbraw/zinc/57/53/55/1351575355.db2.gz DALUWUMQHRFSFQ-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM Cc1ccccc1C(=O)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607872823 1351576445 /nfs/dbraw/zinc/57/64/45/1351576445.db2.gz OQYRMMPLXRBCNR-UHFFFAOYSA-N -1 0 342.307 2.214 20 5 EEBDRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000850838605 1367161731 /nfs/dbraw/zinc/16/17/31/1367161731.db2.gz ULFCVZSOYQTWDB-LLVKDONJSA-N -1 0 338.382 2.380 20 5 EEBDRM CCNC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000781091413 1371187818 /nfs/dbraw/zinc/18/78/18/1371187818.db2.gz IAKSJXSMZNPCRX-UHFFFAOYSA-N -1 0 330.296 2.269 20 5 EEBDRM Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178462473 1405778609 /nfs/dbraw/zinc/77/86/09/1405778609.db2.gz WBXRJJIWRKLPOG-UHFFFAOYSA-N -1 0 338.316 2.161 20 5 EEBDRM O=C(Nc1ccc(-n2cncn2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179410849 1405812772 /nfs/dbraw/zinc/81/27/72/1405812772.db2.gz ZHMHROZYAUJWJS-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cccc(F)c1F ZINC000112160893 775439635 /nfs/dbraw/zinc/43/96/35/775439635.db2.gz OZLLDCGPHJXKLV-UHFFFAOYSA-N -1 0 348.308 2.053 20 5 EEBDRM Cc1ccn2cnnc2c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000820799909 786479475 /nfs/dbraw/zinc/47/94/75/786479475.db2.gz NAUNNZONLRNFBT-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM CCn1nc(C)c(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000844215904 788934265 /nfs/dbraw/zinc/93/42/65/788934265.db2.gz KRBOYWLZHYMECR-ALCCZGGFSA-N -1 0 331.332 2.225 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1n[n-]c2ccccc2c1=O ZINC000171862812 791494063 /nfs/dbraw/zinc/49/40/63/791494063.db2.gz KKNPERDHJAMBSD-UHFFFAOYSA-N -1 0 338.323 2.104 20 5 EEBDRM COc1ccccc1OCCN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356329439 792637639 /nfs/dbraw/zinc/63/76/39/792637639.db2.gz AXYQJCSJHOCAQO-UHFFFAOYSA-N -1 0 346.339 2.460 20 5 EEBDRM Cc1nn(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(N)c1Br ZINC001174501979 797784268 /nfs/dbraw/zinc/78/42/68/797784268.db2.gz ACVHHEVKRXPOIV-UHFFFAOYSA-N -1 0 341.121 2.132 20 5 EEBDRM O=C(OCCc1cn(-c2ccc(F)cc2)nn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000786635115 806836353 /nfs/dbraw/zinc/83/63/53/806836353.db2.gz ZGKWBZQSEDRTIG-UHFFFAOYSA-N -1 0 345.290 2.042 20 5 EEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000103059878 803603068 /nfs/dbraw/zinc/60/30/68/803603068.db2.gz UNASCMGOHIGLCT-UHFFFAOYSA-N -1 0 338.320 2.202 20 5 EEBDRM O=C(OCCc1cn(-c2ccccc2F)nn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000789512201 808035081 /nfs/dbraw/zinc/03/50/81/808035081.db2.gz RBYHFOSBFRPFCT-UHFFFAOYSA-N -1 0 345.290 2.042 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC001601580925 971026410 /nfs/dbraw/zinc/02/64/10/971026410.db2.gz BSLSEVIDETWRDJ-WDEREUQCSA-N -1 0 344.327 2.424 20 5 EEBDRM O=C([O-])c1cccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001595241167 949457050 /nfs/dbraw/zinc/45/70/50/949457050.db2.gz ADDOPIJGNZUIFA-UHFFFAOYSA-N -1 0 340.295 2.099 20 5 EEBDRM CCc1cc(NC(=O)CCCC(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC001593632940 953587772 /nfs/dbraw/zinc/58/77/72/953587772.db2.gz LUDUUGXBTKFKHU-UHFFFAOYSA-N -1 0 331.328 2.321 20 5 EEBDRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001594794420 953703566 /nfs/dbraw/zinc/70/35/66/953703566.db2.gz BFUNDIIAHAVLTO-OTSSQURYSA-N -1 0 332.234 2.207 20 5 EEBDRM O=C([O-])C1(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC001594869381 954336691 /nfs/dbraw/zinc/33/66/91/954336691.db2.gz QZLQCUGVBANVLH-UHFFFAOYSA-N -1 0 330.243 2.390 20 5 EEBDRM O=C([O-])/C=C/c1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])co1 ZINC001594969660 955094755 /nfs/dbraw/zinc/09/47/55/955094755.db2.gz JVSCZKMAKLHESB-AATRIKPKSA-N -1 0 345.311 2.128 20 5 EEBDRM CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001589545706 955198485 /nfs/dbraw/zinc/19/84/85/955198485.db2.gz CKBBPEFWWJFYJQ-ZETCQYMHSA-N -1 0 345.149 2.198 20 5 EEBDRM CC[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001589552405 955226597 /nfs/dbraw/zinc/22/65/97/955226597.db2.gz RUXYRXPRJJNGMQ-FZMZJTMJSA-N -1 0 332.360 2.118 20 5 EEBDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC1(C(=O)[O-])CCOCC1 ZINC001594675234 956654100 /nfs/dbraw/zinc/65/41/00/956654100.db2.gz RIGBSAVMUONCFD-ZZXKWVIFSA-N -1 0 335.312 2.033 20 5 EEBDRM C[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(=O)[O-] ZINC001603191376 972291561 /nfs/dbraw/zinc/29/15/61/972291561.db2.gz QYYIJOZIHIXCRB-JTQLQIEISA-N -1 0 329.312 2.107 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001594307138 957978480 /nfs/dbraw/zinc/97/84/80/957978480.db2.gz FRFKOVAHMSYXCP-AWEZNQCLSA-N -1 0 326.736 2.493 20 5 EEBDRM COc1cccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001594122311 958605725 /nfs/dbraw/zinc/60/57/25/958605725.db2.gz ZNGNAMGLCVQVHH-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM C[C@@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001594200665 959247452 /nfs/dbraw/zinc/24/74/52/959247452.db2.gz GZPYCCCMHPFPJB-WOPDTQHZSA-N -1 0 336.344 2.042 20 5 EEBDRM O=C([O-])c1ccc(F)c(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000231027484 960179997 /nfs/dbraw/zinc/17/99/97/960179997.db2.gz RWRHBNDGWVPLCF-UHFFFAOYSA-N -1 0 344.096 2.439 20 5 EEBDRM O=C([O-])c1cc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)ccn1 ZINC001605786273 972498532 /nfs/dbraw/zinc/49/85/32/972498532.db2.gz DFJZPCBTBLDTEW-UHFFFAOYSA-N -1 0 330.300 2.052 20 5 EEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001603365404 972851246 /nfs/dbraw/zinc/85/12/46/972851246.db2.gz LFRMNIMHIVSXHI-GXSJLCMTSA-N -1 0 331.328 2.259 20 5 EEBDRM Cc1ccc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001605274014 973064397 /nfs/dbraw/zinc/06/43/97/973064397.db2.gz XBOSMACNDKXDNQ-GXFFZTMASA-N -1 0 335.360 2.155 20 5 EEBDRM O=C([O-])Cn1cc(Nc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC001606340998 973777597 /nfs/dbraw/zinc/77/75/97/973777597.db2.gz LIIAPVKPLTUTEC-UHFFFAOYSA-N -1 0 341.121 2.382 20 5 EEBDRM CC(C)Oc1c(NC(=O)c2nn(C)cc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001591746619 975786093 /nfs/dbraw/zinc/78/60/93/975786093.db2.gz OGZWBZSDJRNMQG-UHFFFAOYSA-N -1 0 348.315 2.066 20 5 EEBDRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001592192147 977140838 /nfs/dbraw/zinc/14/08/38/977140838.db2.gz DWUIMPBNKWFPNM-JQUXWSAYSA-N -1 0 342.735 2.161 20 5 EEBDRM C[C@](CC(=O)[O-])(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001592290833 977617583 /nfs/dbraw/zinc/61/75/83/977617583.db2.gz KWTLCXAXLFAPAB-QGZVFWFLSA-N -1 0 343.339 2.039 20 5 EEBDRM CC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595441187 981079015 /nfs/dbraw/zinc/07/90/15/981079015.db2.gz OCUSPSDGIBKRFK-SKDRFNHKSA-N -1 0 342.373 2.150 20 5 EEBDRM CC[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@@H]1C ZINC001595463922 981147517 /nfs/dbraw/zinc/14/75/17/981147517.db2.gz HBXKUBWVDKYYFJ-ZJUUUORDSA-N -1 0 342.373 2.102 20 5 EEBDRM CCCC[C@H](C(=O)[O-])S(=O)(=O)Cc1cc([N+](=O)[O-])ccc1OC ZINC001595629805 981807579 /nfs/dbraw/zinc/80/75/79/981807579.db2.gz OSMZXUZQXRHWKP-CYBMUJFWSA-N -1 0 345.373 2.162 20 5 EEBDRM CCCc1[nH]nc(C(=O)OCCc2ccccc2C(=O)[O-])c1[N+](=O)[O-] ZINC001596029987 983297571 /nfs/dbraw/zinc/29/75/71/983297571.db2.gz SVXSHKLUBNBETE-UHFFFAOYSA-N -1 0 347.327 2.368 20 5 EEBDRM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC001599913501 985019558 /nfs/dbraw/zinc/01/95/58/985019558.db2.gz UWHJRFPQENUHGH-GTNSWQLSSA-N -1 0 334.372 2.442 20 5 EEBDRM CC(=O)Nc1cccc(OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001589211712 985705252 /nfs/dbraw/zinc/70/52/52/985705252.db2.gz NEZYQKLVBRMPNK-UHFFFAOYSA-N -1 0 344.279 2.471 20 5 EEBDRM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ocnc1C(=O)[O-] ZINC001594621174 986660132 /nfs/dbraw/zinc/66/01/32/986660132.db2.gz SXCIQBJMAFSABG-SECBINFHSA-N -1 0 345.311 2.191 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001597250552 987235683 /nfs/dbraw/zinc/23/56/83/987235683.db2.gz SCPIQYQKWONJIA-YCINEILWSA-N -1 0 341.389 2.180 20 5 EEBDRM CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)CC(=O)[O-] ZINC001598010950 990182006 /nfs/dbraw/zinc/18/20/06/990182006.db2.gz ZSXXAXFNOFLLDN-UHFFFAOYSA-N -1 0 336.344 2.269 20 5 EEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1ccoc1C(=O)[O-] ZINC001598333727 991375488 /nfs/dbraw/zinc/37/54/88/991375488.db2.gz NLDUTBATCHOLNY-UHFFFAOYSA-N -1 0 334.284 2.309 20 5 EEBDRM CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC001598517325 992633234 /nfs/dbraw/zinc/63/32/34/992633234.db2.gz BWSLZQLCVUAYKZ-UHFFFAOYSA-N -1 0 329.312 2.028 20 5 EEBDRM C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001593069670 993611210 /nfs/dbraw/zinc/61/12/10/993611210.db2.gz GQHFLEDLUKJSSG-MISXGVKJSA-N -1 0 335.360 2.408 20 5 EEBDRM C[C@](NC(=O)[C@@H]1C[C@H]1C(F)(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593139385 993915736 /nfs/dbraw/zinc/91/57/36/993915736.db2.gz XWTMOVOCSDTDGB-GIPNMCIBSA-N -1 0 346.261 2.209 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N[C@H]2CCC2(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169903 994023789 /nfs/dbraw/zinc/02/37/89/994023789.db2.gz GQWBIMNKJZYNBW-RNCFNFMXSA-N -1 0 335.360 2.398 20 5 EEBDRM C[C@@](O)(CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001593417470 995205995 /nfs/dbraw/zinc/20/59/95/995205995.db2.gz VIHZESGTBLOYRV-OAHLLOKOSA-N -1 0 335.291 2.147 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001593802392 996527651 /nfs/dbraw/zinc/52/76/51/996527651.db2.gz UYZBKUHPVAKJDT-CQSZACIVSA-N -1 0 336.735 2.492 20 5 EEBDRM CO[C@]1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCSC1 ZINC001599091628 997202584 /nfs/dbraw/zinc/20/25/84/997202584.db2.gz FROMJAFCWSTZIG-AWEZNQCLSA-N -1 0 326.374 2.156 20 5 EEBDRM COC(=O)c1cc(C)nc(N[C@@H](CC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC001598927560 997678084 /nfs/dbraw/zinc/67/80/84/997678084.db2.gz OIMCHVRLNUEOMV-JTQLQIEISA-N -1 0 339.348 2.386 20 5 EEBDRM COc1ccc(C=O)cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599542056 997860823 /nfs/dbraw/zinc/86/08/23/997860823.db2.gz CZNJAMDQKXMDMQ-UHFFFAOYSA-N -1 0 344.279 2.366 20 5 EEBDRM CO[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000442743236 242105383 /nfs/dbraw/zinc/10/53/83/242105383.db2.gz YURYXROBWAJGDS-ZCFIWIBFSA-N -1 0 343.188 2.215 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(C)c(C)nn2)c1 ZINC000446816291 242222436 /nfs/dbraw/zinc/22/24/36/242222436.db2.gz DGWAZASERQVZKA-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnnn1-c1cccc(F)c1 ZINC000447528948 242285346 /nfs/dbraw/zinc/28/53/46/242285346.db2.gz KBMVAEVDDPKTLG-UHFFFAOYSA-N -1 0 343.274 2.273 20 5 EEBDRM CCC[C@](C)(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000236845561 242379988 /nfs/dbraw/zinc/37/99/88/242379988.db2.gz BXGOBEBNBYNHDF-INIZCTEOSA-N -1 0 346.343 2.154 20 5 EEBDRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000323846059 304153037 /nfs/dbraw/zinc/15/30/37/304153037.db2.gz LGISZMOSZUDXQE-HNNXBMFYSA-N -1 0 326.308 2.247 20 5 EEBDRM CC(C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000084144529 217578268 /nfs/dbraw/zinc/57/82/68/217578268.db2.gz SGTOMJQQHJKWPL-UHFFFAOYSA-N -1 0 345.149 2.340 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C2CC2)[nH]n1 ZINC000268471930 251944245 /nfs/dbraw/zinc/94/42/45/251944245.db2.gz IHYBBEUUGNZKGY-UHFFFAOYSA-N -1 0 338.345 2.005 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000116453992 152051042 /nfs/dbraw/zinc/05/10/42/152051042.db2.gz OZOCAPVQXJNFEW-YPMHNXCESA-N -1 0 349.387 2.114 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263118966 152378627 /nfs/dbraw/zinc/37/86/27/152378627.db2.gz LTQLCLHXOCPZCK-VHSXEESVSA-N -1 0 337.332 2.178 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261783280 160416898 /nfs/dbraw/zinc/41/68/98/160416898.db2.gz YEHZDPSZQODRKH-SNPRPXQTSA-N -1 0 332.356 2.382 20 5 EEBDRM C[S@@](=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000132461168 292401208 /nfs/dbraw/zinc/40/12/08/292401208.db2.gz RCQLEMWRAUKWIR-OZAJXLCCSA-N -1 0 348.380 2.150 20 5 EEBDRM Cc1conc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185633499 160043608 /nfs/dbraw/zinc/04/36/08/160043608.db2.gz GCONSWWWTZVLCV-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM Cc1csc([C@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000189028720 160135060 /nfs/dbraw/zinc/13/50/60/160135060.db2.gz OMVMCZRTMTYHNH-GFCCVEGCSA-N -1 0 349.368 2.279 20 5 EEBDRM CC(C)C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000346016556 161350240 /nfs/dbraw/zinc/35/02/40/161350240.db2.gz NNIFIGMYQGXVFG-LBPRGKRZSA-N -1 0 347.371 2.482 20 5 EEBDRM NC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000346612080 161386005 /nfs/dbraw/zinc/38/60/05/161386005.db2.gz MIAZHNUZONFNIK-JGVFFNPUSA-N -1 0 341.751 2.184 20 5 EEBDRM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000152049094 292483759 /nfs/dbraw/zinc/48/37/59/292483759.db2.gz LSRRYCOHPMCPRO-NEPJUHHUSA-N -1 0 349.387 2.114 20 5 EEBDRM O=C(NCCc1ccc2c(c1)OCCO2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356232317 163373848 /nfs/dbraw/zinc/37/38/48/163373848.db2.gz YBOFWGAQJMSADH-UHFFFAOYSA-N -1 0 344.323 2.044 20 5 EEBDRM CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356233150 163374186 /nfs/dbraw/zinc/37/41/86/163374186.db2.gz ZGHYWJARZQLPTE-AWEZNQCLSA-N -1 0 344.323 2.212 20 5 EEBDRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000274984748 269082046 /nfs/dbraw/zinc/08/20/46/269082046.db2.gz DMLISERPCNVTKS-TVQRCGJNSA-N -1 0 344.389 2.023 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)CCCC(=O)[O-])cc1C ZINC000275010465 269084667 /nfs/dbraw/zinc/08/46/67/269084667.db2.gz PXPBHVKHJDFADZ-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274740763 274219875 /nfs/dbraw/zinc/21/98/75/274219875.db2.gz CXYMZWJGHNXWSH-XJKSGUPXSA-N -1 0 336.344 2.152 20 5 EEBDRM COCc1cnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000285196507 274692873 /nfs/dbraw/zinc/69/28/73/274692873.db2.gz VVLBSIOJGKJZIO-UHFFFAOYSA-N -1 0 343.386 2.307 20 5 EEBDRM O=c1[n-]nc([C@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)o1 ZINC000285729886 274782724 /nfs/dbraw/zinc/78/27/24/274782724.db2.gz SOZMHPVEKCFUPU-JTQLQIEISA-N -1 0 341.327 2.203 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000287924798 275006529 /nfs/dbraw/zinc/00/65/29/275006529.db2.gz QLSWHTVIOIGKEC-ZDUSSCGKSA-N -1 0 348.277 2.220 20 5 EEBDRM COCC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOCC1 ZINC000290509303 275213863 /nfs/dbraw/zinc/21/38/63/275213863.db2.gz YTGBRQBVDGGEGU-UHFFFAOYSA-N -1 0 344.751 2.336 20 5 EEBDRM O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000291070084 275266940 /nfs/dbraw/zinc/26/69/40/275266940.db2.gz YPRJAPUVXQHTSZ-FUHWJXTLSA-N -1 0 342.351 2.196 20 5 EEBDRM O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000269155655 303884977 /nfs/dbraw/zinc/88/49/77/303884977.db2.gz RNETXECMXXZQLN-IAQYHMDHSA-N -1 0 338.385 2.085 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000324178811 304806644 /nfs/dbraw/zinc/80/66/44/304806644.db2.gz WULYCTZEMGUDTD-UHFFFAOYSA-N -1 0 338.316 2.470 20 5 EEBDRM CCCN(CCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000317092402 311591479 /nfs/dbraw/zinc/59/14/79/311591479.db2.gz WTOJYGIPZDXWLZ-UHFFFAOYSA-N -1 0 330.362 2.104 20 5 EEBDRM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000332455973 312010389 /nfs/dbraw/zinc/01/03/89/312010389.db2.gz NPTDKNGIXACBDI-BXUZGUMPSA-N -1 0 346.380 2.216 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@@H](CC)OC ZINC000421165172 314058272 /nfs/dbraw/zinc/05/82/72/314058272.db2.gz LMTTYFXHMIGWGW-LLVKDONJSA-N -1 0 332.378 2.160 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000422557712 314281772 /nfs/dbraw/zinc/28/17/72/314281772.db2.gz LEAQGDJDCSZNKJ-GXSJLCMTSA-N -1 0 336.344 2.237 20 5 EEBDRM Cc1nc(=NC(=O)c2ccc(Br)cc2[N+](=O)[O-])s[n-]1 ZINC000430629767 314561859 /nfs/dbraw/zinc/56/18/59/314561859.db2.gz XABSJHDSBSXBNJ-UHFFFAOYSA-N -1 0 343.162 2.191 20 5 EEBDRM Cc1cccc2c1OC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C2 ZINC000436822389 315001910 /nfs/dbraw/zinc/00/19/10/315001910.db2.gz UEZFTQILBLFWMO-GFCCVEGCSA-N -1 0 328.324 2.342 20 5 EEBDRM COc1ccc([C@H](CCO)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436921024 315012673 /nfs/dbraw/zinc/01/26/73/315012673.db2.gz IRDWAUFGXJQCJR-AWEZNQCLSA-N -1 0 346.339 2.163 20 5 EEBDRM COc1cccc([C@@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525699915 317069107 /nfs/dbraw/zinc/06/91/07/317069107.db2.gz GGDUFMOFGGPENQ-SNVBAGLBSA-N -1 0 337.357 2.038 20 5 EEBDRM O=C([O-])c1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000532258552 317851414 /nfs/dbraw/zinc/85/14/14/317851414.db2.gz FPMBJSOYLBWHDW-UHFFFAOYSA-N -1 0 330.296 2.102 20 5 EEBDRM CC[C@H]1C[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC(=O)N1 ZINC000542638637 318134462 /nfs/dbraw/zinc/13/44/62/318134462.db2.gz PANRTAXIIDUDSU-APPZFPTMSA-N -1 0 341.751 2.197 20 5 EEBDRM C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000548229189 318366609 /nfs/dbraw/zinc/36/66/09/318366609.db2.gz PWWRSPUPYXLZHS-NSHDSACASA-N -1 0 344.389 2.048 20 5 EEBDRM O=C([O-])c1cnn(C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000563290115 318993092 /nfs/dbraw/zinc/99/30/92/318993092.db2.gz QDFZFLMHZFDSPS-UHFFFAOYSA-N -1 0 336.373 2.388 20 5 EEBDRM COc1cccc2c1CCN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])C2 ZINC000566292167 319269960 /nfs/dbraw/zinc/26/99/60/319269960.db2.gz YEAFSQUNWPNNAL-UHFFFAOYSA-N -1 0 329.312 2.259 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCCc3nn(C)cc32)n1 ZINC000567616625 319397516 /nfs/dbraw/zinc/39/75/16/319397516.db2.gz GQAUJHVGDKGLPK-LLVKDONJSA-N -1 0 331.332 2.219 20 5 EEBDRM CCc1nn(C)c(OC)c1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000569248576 319560581 /nfs/dbraw/zinc/56/05/81/319560581.db2.gz SZUAMQUIRAYYKW-UHFFFAOYSA-N -1 0 334.332 2.210 20 5 EEBDRM O=C([O-])[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000569611563 319593512 /nfs/dbraw/zinc/59/35/12/319593512.db2.gz KYBRAJQDYXRJCI-GFCCVEGCSA-N -1 0 335.360 2.014 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000572088047 319813544 /nfs/dbraw/zinc/81/35/44/319813544.db2.gz JHYIMDNOGCGXNS-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM Cc1cc(N2CC[S@@](=O)C(C)(C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579715348 323915666 /nfs/dbraw/zinc/91/56/66/323915666.db2.gz ZWLMWDWHOWMETM-HSZRJFAPSA-N -1 0 340.401 2.339 20 5 EEBDRM C[C@@H]1CCCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000580070619 323987957 /nfs/dbraw/zinc/98/79/57/323987957.db2.gz PNGUCQPHJYYZJM-SNVBAGLBSA-N -1 0 342.373 2.246 20 5 EEBDRM CC(C)n1ncc2c1C[C@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000580196850 324014495 /nfs/dbraw/zinc/01/44/95/324014495.db2.gz GJAKJGOKQMSRGV-GFCCVEGCSA-N -1 0 345.359 2.435 20 5 EEBDRM Cc1noc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)C2)n1 ZINC000581254313 324215469 /nfs/dbraw/zinc/21/54/69/324215469.db2.gz ZTVREIQGDVVTEF-SNVBAGLBSA-N -1 0 332.316 2.368 20 5 EEBDRM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000326717814 465043689 /nfs/dbraw/zinc/04/36/89/465043689.db2.gz YJBIANHITJMHBG-UHFFFAOYSA-N -1 0 343.339 2.182 20 5 EEBDRM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000339066036 465062515 /nfs/dbraw/zinc/06/25/15/465062515.db2.gz DSRBDFQCFOTSHV-JTQLQIEISA-N -1 0 343.339 2.482 20 5 EEBDRM COc1cc(C(=O)N(CC(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC000336880508 465076546 /nfs/dbraw/zinc/07/65/46/465076546.db2.gz QQSAICSLFBIJIP-UHFFFAOYSA-N -1 0 330.296 2.335 20 5 EEBDRM CC(=O)Nc1cccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356331749 465316158 /nfs/dbraw/zinc/31/61/58/465316158.db2.gz WUNMIPWBVMPLAS-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM CO[C@@H]1CCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578893130 468275876 /nfs/dbraw/zinc/27/58/76/468275876.db2.gz AUXJBCHHWCCAFE-QPUJVOFHSA-N -1 0 328.752 2.499 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000025463826 463125389 /nfs/dbraw/zinc/12/53/89/463125389.db2.gz XZYBRXMITYSAQG-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000158821001 463253583 /nfs/dbraw/zinc/25/35/83/463253583.db2.gz PODZPIQICOYJIW-LLVKDONJSA-N -1 0 345.359 2.280 20 5 EEBDRM Cc1nc(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cs1 ZINC000136892384 463263607 /nfs/dbraw/zinc/26/36/07/463263607.db2.gz TXVSGYYFHGPUIU-UHFFFAOYSA-N -1 0 335.341 2.030 20 5 EEBDRM CNC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1C ZINC000163635835 463601475 /nfs/dbraw/zinc/60/14/75/463601475.db2.gz AQTSSUALCUKLPS-UHFFFAOYSA-N -1 0 329.312 2.221 20 5 EEBDRM O=C(COc1cccc([N+](=O)[O-])c1)NCC1(C(=O)[O-])CCCCC1 ZINC000261623620 463806571 /nfs/dbraw/zinc/80/65/71/463806571.db2.gz GJTJFXKCGIERES-UHFFFAOYSA-N -1 0 336.344 2.125 20 5 EEBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc2c1CCCC2 ZINC000185724647 463869112 /nfs/dbraw/zinc/86/91/12/463869112.db2.gz GDZAFNQRMOEUPP-UHFFFAOYSA-N -1 0 348.384 2.373 20 5 EEBDRM COc1cc(CN2CCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000262063856 463937541 /nfs/dbraw/zinc/93/75/41/463937541.db2.gz APLLRIUAODLTNI-SECBINFHSA-N -1 0 346.286 2.254 20 5 EEBDRM CCC[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262198929 463970829 /nfs/dbraw/zinc/97/08/29/463970829.db2.gz VRVJBXRUEKBJNF-BXKDBHETSA-N -1 0 326.374 2.445 20 5 EEBDRM COC1CCC(N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000262348840 464008600 /nfs/dbraw/zinc/00/86/00/464008600.db2.gz AXCNUZZYFPNKSC-UHFFFAOYSA-N -1 0 336.344 2.323 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CCC(=O)[O-])c2)n1 ZINC000263470258 464110759 /nfs/dbraw/zinc/11/07/59/464110759.db2.gz XPUJWVJKFMMTAE-UHFFFAOYSA-N -1 0 332.316 2.081 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000263552251 464127889 /nfs/dbraw/zinc/12/78/89/464127889.db2.gz XBAHAKZQLGQJJI-ITDIGPHOSA-N -1 0 348.355 2.237 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175003255 464478754 /nfs/dbraw/zinc/47/87/54/464478754.db2.gz DQEMNRZLONXFQG-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM CO[C@H](C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285200605 464485701 /nfs/dbraw/zinc/48/57/01/464485701.db2.gz OLCBBFLURHQKPI-SSDOTTSWSA-N -1 0 340.760 2.091 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nc(C(C)(C)C)no1 ZINC000175600888 464583866 /nfs/dbraw/zinc/58/38/66/464583866.db2.gz GVWHUTHHUADHQP-MRVPVSSYSA-N -1 0 334.332 2.472 20 5 EEBDRM CN(C)C(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1F ZINC000176329615 464751247 /nfs/dbraw/zinc/75/12/47/464751247.db2.gz ZINKEGDUNAHSRK-UHFFFAOYSA-N -1 0 347.302 2.394 20 5 EEBDRM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000253186155 464988955 /nfs/dbraw/zinc/98/89/55/464988955.db2.gz VHSMVTITXAGWLW-NWANDNLSSA-N -1 0 332.356 2.378 20 5 EEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1nc(C(F)(F)F)no1 ZINC000600032129 468439951 /nfs/dbraw/zinc/43/99/51/468439951.db2.gz SMQZUDWELCEMNE-YFKPBYRVSA-N -1 0 346.221 2.193 20 5 EEBDRM CCc1oncc1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000337866646 465639728 /nfs/dbraw/zinc/63/97/28/465639728.db2.gz OJNZIHLQTJRLGQ-UHFFFAOYSA-N -1 0 345.308 2.094 20 5 EEBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccncc1F ZINC000337962186 465712229 /nfs/dbraw/zinc/71/22/29/465712229.db2.gz JTXMCHZSMFCKDZ-MRVPVSSYSA-N -1 0 343.311 2.308 20 5 EEBDRM Cc1cc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000331985648 466334861 /nfs/dbraw/zinc/33/48/61/466334861.db2.gz YTKXYZHPMRAERG-LBPRGKRZSA-N -1 0 331.332 2.094 20 5 EEBDRM CNc1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000555745303 468492966 /nfs/dbraw/zinc/49/29/66/468492966.db2.gz KADYLGLSAZABOT-ZBEGNZNMSA-N -1 0 335.360 2.400 20 5 EEBDRM O=C(NCCn1cnc2ccccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000354398313 466537440 /nfs/dbraw/zinc/53/74/40/466537440.db2.gz XKIFIHGNUNDZGY-UHFFFAOYSA-N -1 0 326.312 2.080 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000347356514 466588802 /nfs/dbraw/zinc/58/88/02/466588802.db2.gz RJQZZTDMNFIWPM-UHFFFAOYSA-N -1 0 347.274 2.231 20 5 EEBDRM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000320347217 466607111 /nfs/dbraw/zinc/60/71/11/466607111.db2.gz PKBZARNZHHEHTI-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)c([N+](=O)[O-])c1 ZINC000320672637 466612542 /nfs/dbraw/zinc/61/25/42/466612542.db2.gz LQEPNNWFWIXESI-UHFFFAOYSA-N -1 0 342.304 2.249 20 5 EEBDRM COc1ccc(C([O-])=CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000321637800 466624767 /nfs/dbraw/zinc/62/47/67/466624767.db2.gz QATVCQSVNSBWIK-UHFFFAOYSA-N -1 0 335.337 2.260 20 5 EEBDRM Cc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC000323863528 466641849 /nfs/dbraw/zinc/64/18/49/466641849.db2.gz GMSHIBGNOUUXLV-CQSZACIVSA-N -1 0 328.324 2.329 20 5 EEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCc2nccn2C1 ZINC000373584608 466855949 /nfs/dbraw/zinc/85/59/49/466855949.db2.gz UUVXWRSGKXDMGR-MRVPVSSYSA-N -1 0 336.735 2.351 20 5 EEBDRM COCc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc(C(=O)[O-])c1 ZINC000427664510 467171668 /nfs/dbraw/zinc/17/16/68/467171668.db2.gz SGSYHNWMJRPEPX-UHFFFAOYSA-N -1 0 345.311 2.395 20 5 EEBDRM CCn1cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)c([N+](=O)[O-])n1 ZINC000433446004 467332137 /nfs/dbraw/zinc/33/21/37/467332137.db2.gz YNEQHPGYXYMENU-NWDGAFQWSA-N -1 0 342.421 2.058 20 5 EEBDRM Cc1c(CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000414651605 467425634 /nfs/dbraw/zinc/42/56/34/467425634.db2.gz XTOMUUDLWLPINV-SUMWQHHRSA-N -1 0 347.371 2.300 20 5 EEBDRM COC(=O)c1ccc(O)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436514817 467543000 /nfs/dbraw/zinc/54/30/00/467543000.db2.gz QQCGGAYEJNJCJU-UHFFFAOYSA-N -1 0 332.268 2.045 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CCOC3(CCC3)C2)n1 ZINC000576230599 468161603 /nfs/dbraw/zinc/16/16/03/468161603.db2.gz IGAXSKJMHVAQAK-LLVKDONJSA-N -1 0 335.360 2.758 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000567879120 468229610 /nfs/dbraw/zinc/22/96/10/468229610.db2.gz LFZHBNJLHYYPIK-ONGXEEELSA-N -1 0 337.332 2.178 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000570233950 468608665 /nfs/dbraw/zinc/60/86/65/468608665.db2.gz DRLUACUZISJSPP-CYBMUJFWSA-N -1 0 345.355 2.139 20 5 EEBDRM C[C@@H](N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C1(C)CC1 ZINC000592141870 468635217 /nfs/dbraw/zinc/63/52/17/468635217.db2.gz RIVWYDVYIBJMCT-SECBINFHSA-N -1 0 342.373 2.102 20 5 EEBDRM O=C(NCCO[C@H]1CCCCO1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597682092 468636426 /nfs/dbraw/zinc/63/64/26/468636426.db2.gz NUCMYFWMNSVLFT-LBPRGKRZSA-N -1 0 344.751 2.227 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC000600878120 468673295 /nfs/dbraw/zinc/67/32/95/468673295.db2.gz VLVGBVSCTGMVCQ-CQSZACIVSA-N -1 0 335.360 2.309 20 5 EEBDRM CO[C@@H](C)c1nc(=NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000558697618 468707408 /nfs/dbraw/zinc/70/74/08/468707408.db2.gz OIGSQOPZSWZTSO-BDAKNGLRSA-N -1 0 336.373 2.318 20 5 EEBDRM COc1ccc(CN=c2nc(C(C)(C)OC)[n-]s2)cc1[N+](=O)[O-] ZINC000601068934 468734096 /nfs/dbraw/zinc/73/40/96/468734096.db2.gz PRXFVBYYBQUCBN-UHFFFAOYSA-N -1 0 338.389 2.370 20 5 EEBDRM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592776137 468782503 /nfs/dbraw/zinc/78/25/03/468782503.db2.gz KJKIEGSSRPEOHM-IUCAKERBSA-N -1 0 328.752 2.499 20 5 EEBDRM CCN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000592779208 468783312 /nfs/dbraw/zinc/78/33/12/468783312.db2.gz OCPHXUWSZYGKRX-VIFPVBQESA-N -1 0 327.768 2.120 20 5 EEBDRM CN(CCCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC000572124480 468889047 /nfs/dbraw/zinc/88/90/47/468889047.db2.gz ZDQCNQSUQHSBEX-UHFFFAOYSA-N -1 0 344.371 3.017 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598659778 468949494 /nfs/dbraw/zinc/94/94/94/468949494.db2.gz IIEVSLMEQIAPLG-YGRLFVJLSA-N -1 0 331.328 2.449 20 5 EEBDRM CCN(C[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1)CC(F)(F)F ZINC000596148920 469175655 /nfs/dbraw/zinc/17/56/55/469175655.db2.gz IDRZSPKMJSEVCS-JTQLQIEISA-N -1 0 348.325 2.406 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCOC[C@H](C3CCC3)C2)n1 ZINC000563210377 469200181 /nfs/dbraw/zinc/20/01/81/469200181.db2.gz ZLBKPUYYYNFSHE-GFCCVEGCSA-N -1 0 335.360 2.249 20 5 EEBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000611478691 469257636 /nfs/dbraw/zinc/25/76/36/469257636.db2.gz UYOYQKYJQWZBAE-JTQLQIEISA-N -1 0 335.360 2.140 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000617708251 469767844 /nfs/dbraw/zinc/76/78/44/469767844.db2.gz NHIBEASBAKEPGA-LBPRGKRZSA-N -1 0 328.752 2.406 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000192723387 529218851 /nfs/dbraw/zinc/21/88/51/529218851.db2.gz BDLGMHSXYBTNRT-IINYFYTJSA-N -1 0 346.343 2.010 20 5 EEBDRM Cn1c(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000738402807 578013054 /nfs/dbraw/zinc/01/30/54/578013054.db2.gz BYYLAIZXSGAGSK-UHFFFAOYSA-N -1 0 345.290 2.326 20 5 EEBDRM C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-] ZINC000737707016 576486436 /nfs/dbraw/zinc/48/64/36/576486436.db2.gz PPKSSEZREWFHOQ-NSHDSACASA-N -1 0 325.320 2.171 20 5 EEBDRM CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000773762650 577363466 /nfs/dbraw/zinc/36/34/66/577363466.db2.gz GHZBLGCLHLTPCL-JTQLQIEISA-N -1 0 346.430 2.240 20 5 EEBDRM CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000773780835 577364391 /nfs/dbraw/zinc/36/43/91/577364391.db2.gz QDWZVCJEQAGCAB-JTQLQIEISA-N -1 0 346.430 2.240 20 5 EEBDRM CCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000775239813 577433350 /nfs/dbraw/zinc/43/33/50/577433350.db2.gz GIMDYMHTLIGVAD-UHFFFAOYSA-N -1 0 332.403 2.175 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000776507597 577461175 /nfs/dbraw/zinc/46/11/75/577461175.db2.gz OXWNFOJQQFHCBZ-CABZTGNLSA-N -1 0 340.401 2.453 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000765604829 577503842 /nfs/dbraw/zinc/50/38/42/577503842.db2.gz ONSYKLXFJHRNCM-ZDUSSCGKSA-N -1 0 340.401 2.020 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738663907 578023197 /nfs/dbraw/zinc/02/31/97/578023197.db2.gz DCJZSQYMTOWQQT-ZDUSSCGKSA-N -1 0 347.371 2.028 20 5 EEBDRM O=C([O-])c1cc(OCC(=O)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000739329213 578048684 /nfs/dbraw/zinc/04/86/84/578048684.db2.gz QHAZFRUOSDDSIV-UHFFFAOYSA-N -1 0 346.251 2.463 20 5 EEBDRM O=C([O-])COc1cccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000739834772 578069359 /nfs/dbraw/zinc/06/93/59/578069359.db2.gz MLGRXJNDKODVDS-UHFFFAOYSA-N -1 0 348.286 2.127 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CC(=O)[O-])cc1SC ZINC000737902936 578158948 /nfs/dbraw/zinc/15/89/48/578158948.db2.gz QPFMLRYINLGMDK-UHFFFAOYSA-N -1 0 342.373 2.308 20 5 EEBDRM C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736219266 578187832 /nfs/dbraw/zinc/18/78/32/578187832.db2.gz MQUFNDNJLSBYTF-RYUDHWBXSA-N -1 0 347.371 2.109 20 5 EEBDRM CC(C)Cc1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000736454856 578204760 /nfs/dbraw/zinc/20/47/60/578204760.db2.gz YUKJYERBGHPBQE-UHFFFAOYSA-N -1 0 332.316 2.467 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N[C@H]2CC=CCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736656008 578216872 /nfs/dbraw/zinc/21/68/72/578216872.db2.gz HTTOHYBKGIPBJS-JQWIXIFHSA-N -1 0 333.344 2.318 20 5 EEBDRM C[C@H]([C@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])N1CCOCC1 ZINC000736674289 578217295 /nfs/dbraw/zinc/21/72/95/578217295.db2.gz XFMGXQJTMVZHRZ-NMTKSXOJSA-N -1 0 349.387 2.214 20 5 EEBDRM CN(Cc1cccc(-c2nn[nH]n2)c1)c1ncc([N+](=O)[O-])cc1Cl ZINC000736821858 578225791 /nfs/dbraw/zinc/22/57/91/578225791.db2.gz HDAZBKDTCFRSGB-UHFFFAOYSA-N -1 0 345.750 2.460 20 5 EEBDRM CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1C(=O)[O-] ZINC000737348141 578251881 /nfs/dbraw/zinc/25/18/81/578251881.db2.gz IMWFTXZYQPHRLH-UHFFFAOYSA-N -1 0 340.295 2.446 20 5 EEBDRM O=C([O-])[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000821512170 598124319 /nfs/dbraw/zinc/12/43/19/598124319.db2.gz CIYOOEXHJRQKEF-HNNXBMFYSA-N -1 0 332.312 2.140 20 5 EEBDRM CCC(CC)(NC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000828835159 600925921 /nfs/dbraw/zinc/92/59/21/600925921.db2.gz NBRLVKVUEXBBLK-UHFFFAOYSA-N -1 0 326.374 2.447 20 5 EEBDRM O=C([O-])CN(C(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000833245259 601144149 /nfs/dbraw/zinc/14/41/49/601144149.db2.gz XUSGLYDRMFMFLD-UHFFFAOYSA-N -1 0 348.286 2.231 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000828785015 601309200 /nfs/dbraw/zinc/30/92/00/601309200.db2.gz YIFNAUNVVHLDCD-UHFFFAOYSA-N -1 0 342.323 2.262 20 5 EEBDRM C[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccncc1 ZINC000827497154 601324636 /nfs/dbraw/zinc/32/46/36/601324636.db2.gz KTVUFRGSKUGJBD-JTQLQIEISA-N -1 0 329.312 2.222 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NCC2(C)CCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827702980 601382527 /nfs/dbraw/zinc/38/25/27/601382527.db2.gz GCVWPQLOMNBQMT-JTQLQIEISA-N -1 0 335.360 2.400 20 5 EEBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000833233716 601508785 /nfs/dbraw/zinc/50/87/85/601508785.db2.gz FNYVXLXEZPKORF-UHFFFAOYSA-N -1 0 335.341 2.168 20 5 EEBDRM CC(C)[C@@H]1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000827702897 601561730 /nfs/dbraw/zinc/56/17/30/601561730.db2.gz CECHVYVBDIZPFZ-DGCLKSJQSA-N -1 0 349.387 2.280 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000833090691 601720584 /nfs/dbraw/zinc/72/05/84/601720584.db2.gz AYMUKOCFSAFOCU-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM CC1(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC000828107136 601830162 /nfs/dbraw/zinc/83/01/62/601830162.db2.gz QSDJZTIPQRWSKQ-UHFFFAOYSA-N -1 0 339.304 2.430 20 5 EEBDRM Nc1c(C(=O)OCc2ccc(C(=O)[O-])s2)cc(F)cc1[N+](=O)[O-] ZINC000833090736 602005743 /nfs/dbraw/zinc/00/57/43/602005743.db2.gz UJFHXXAIYHBNSZ-UHFFFAOYSA-N -1 0 340.288 2.433 20 5 EEBDRM Nc1c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cccc1[N+](=O)[O-] ZINC000833090668 602267790 /nfs/dbraw/zinc/26/77/90/602267790.db2.gz SKJJRPZJSCNANQ-CYBMUJFWSA-N -1 0 334.259 2.299 20 5 EEBDRM COCc1nc(Sc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000831836249 602325179 /nfs/dbraw/zinc/32/51/79/602325179.db2.gz CJKKQXDVEBEDQK-HWKANZROSA-N -1 0 336.329 2.108 20 5 EEBDRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000824143267 603611450 /nfs/dbraw/zinc/61/14/50/603611450.db2.gz LHHADIUKYMMCRR-GFCCVEGCSA-N -1 0 337.288 2.071 20 5 EEBDRM O=C([O-])N1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000831985280 604204617 /nfs/dbraw/zinc/20/46/17/604204617.db2.gz IHSGKXUVTIJXKO-SSDOTTSWSA-N -1 0 345.153 2.307 20 5 EEBDRM CC(C)[C@H](O)C(C)(C)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833468395 604467688 /nfs/dbraw/zinc/46/76/88/604467688.db2.gz BSHQJIQOPQDWPM-ZDUSSCGKSA-N -1 0 338.360 2.066 20 5 EEBDRM CC(C)C(=O)NCCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000833467328 604635166 /nfs/dbraw/zinc/63/51/66/604635166.db2.gz OHYJLVHXAGLFOS-ALCCZGGFSA-N -1 0 335.360 2.267 20 5 EEBDRM C[C@H]1C[C@@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833599047 604718280 /nfs/dbraw/zinc/71/82/80/604718280.db2.gz VSNZLKBQMDYWBS-YUMQZZPRSA-N -1 0 325.277 2.181 20 5 EEBDRM O=C([O-])C=Cc1ccc(N[C@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])c1 ZINC000833196816 604810784 /nfs/dbraw/zinc/81/07/84/604810784.db2.gz FCJMMDIHRQZSKA-GSQGTZRGSA-N -1 0 328.328 2.385 20 5 EEBDRM O=C([O-])N1CCC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000831984879 604831822 /nfs/dbraw/zinc/83/18/22/604831822.db2.gz DMVXUVWWNLMPBL-MRVPVSSYSA-N -1 0 345.153 2.307 20 5 EEBDRM CC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833387906 605017564 /nfs/dbraw/zinc/01/75/64/605017564.db2.gz NIZSDHCRCUKSOA-SECBINFHSA-N -1 0 341.341 2.296 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccccc1C(=O)[O-] ZINC000914575909 683902082 /nfs/dbraw/zinc/90/20/82/683902082.db2.gz WPMGJKGGJAURGP-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cccs2)cc([N+](=O)[O-])c1 ZINC000121746347 687660251 /nfs/dbraw/zinc/66/02/51/687660251.db2.gz QOTNOMBDBAKGTP-UHFFFAOYSA-N -1 0 326.355 2.083 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000263582300 690215094 /nfs/dbraw/zinc/21/50/94/690215094.db2.gz YJXLSBPAJJEVGW-JTQLQIEISA-N -1 0 330.699 2.005 20 5 EEBDRM O=C(N[C@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436662202 694444651 /nfs/dbraw/zinc/44/46/51/694444651.db2.gz ILCKAEBFQGLGCB-LBPRGKRZSA-N -1 0 328.324 2.424 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000874051366 1198775552 /nfs/dbraw/zinc/77/55/52/1198775552.db2.gz OCTKDLVIEWRUIM-SECBINFHSA-N -1 0 330.287 2.493 20 5 EEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000879765432 1201248162 /nfs/dbraw/zinc/24/81/62/1201248162.db2.gz DWXITDKEYRCTJS-CYBMUJFWSA-N -1 0 349.284 2.377 20 5 EEBDRM CSCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795767300 1215058978 /nfs/dbraw/zinc/05/89/78/1215058978.db2.gz KGRXNPPKLUPDBI-UHFFFAOYSA-N -1 0 328.774 2.029 20 5 EEBDRM O=C([O-])CN(Cc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000901971149 1236750610 /nfs/dbraw/zinc/75/06/10/1236750610.db2.gz IJAMOIOOFYYNHX-UHFFFAOYSA-N -1 0 329.150 2.406 20 5 EEBDRM O=[N+]([O-])C[C@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001225619932 1301095411 /nfs/dbraw/zinc/09/54/11/1301095411.db2.gz KSIOUXVKGODSNB-AWEZNQCLSA-N -1 0 348.267 2.426 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](C)c2ccccc2OC)c1[N+](=O)[O-] ZINC001226653535 1301495655 /nfs/dbraw/zinc/49/56/55/1301495655.db2.gz WMVGKBNRPLESLS-MRVPVSSYSA-N -1 0 349.299 2.026 20 5 EEBDRM O=C(Nc1ccc(-n2cncn2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001116313782 1305872720 /nfs/dbraw/zinc/87/27/20/1305872720.db2.gz GXGDCGJZUZLAQY-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000835232477 1314905971 /nfs/dbraw/zinc/90/59/71/1314905971.db2.gz VLEHJAOWZHLARW-KOLCDFICSA-N -1 0 344.364 2.365 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000836756890 1315022955 /nfs/dbraw/zinc/02/29/55/1315022955.db2.gz YEIOEVJKCQWKDV-WCQYABFASA-N -1 0 347.371 2.130 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@H](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000842403799 1315698134 /nfs/dbraw/zinc/69/81/34/1315698134.db2.gz PJRJCLCSXWQCDD-LLVKDONJSA-N -1 0 340.401 2.285 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1O ZINC001255852962 1318553749 /nfs/dbraw/zinc/55/37/49/1318553749.db2.gz FTCLIMPXIOWJNM-UHFFFAOYSA-N -1 0 332.268 2.045 20 5 EEBDRM Cc1ccn2c(c1)nnc2CNc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001162704456 1320935153 /nfs/dbraw/zinc/93/51/53/1320935153.db2.gz AOVOGHBWKUZOLI-UHFFFAOYSA-N -1 0 327.300 2.256 20 5 EEBDRM O=C([O-])c1ccc(N[C@@H]2CCc3[nH]c(=O)ccc3C2)cc1[N+](=O)[O-] ZINC001163564805 1321158769 /nfs/dbraw/zinc/15/87/69/1321158769.db2.gz XLTMWAXTMBZRTJ-SNVBAGLBSA-N -1 0 329.312 2.363 20 5 EEBDRM C[C@H]1SCCN(c2nnc(-c3cccc([O-])c3[N+](=O)[O-])n2C)[C@H]1C ZINC001262891956 1322390840 /nfs/dbraw/zinc/39/08/40/1322390840.db2.gz LQMLFAXSMBZTNO-VHSXEESVSA-N -1 0 349.416 2.426 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001601006454 1350187672 /nfs/dbraw/zinc/18/76/72/1350187672.db2.gz JAJIGIFNENESHI-XLPZGREQSA-N -1 0 348.281 2.037 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC001601213430 1350232818 /nfs/dbraw/zinc/23/28/18/1350232818.db2.gz DJRGMBPTXHWDDU-UHFFFAOYSA-N -1 0 347.302 2.043 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001605059940 1351069144 /nfs/dbraw/zinc/06/91/44/1351069144.db2.gz HEHRJFBFXVEGHB-KBPBESRZSA-N -1 0 334.372 2.487 20 5 EEBDRM COc1cc(C(=O)N(C)C2(C(=O)[O-])CCCC2)cc([N+](=O)[O-])c1C ZINC001607068254 1351406042 /nfs/dbraw/zinc/40/60/42/1351406042.db2.gz ZSZMYJGRSRCZNT-UHFFFAOYSA-N -1 0 336.344 2.381 20 5 EEBDRM Cc1cc(OS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607703362 1351542785 /nfs/dbraw/zinc/54/27/85/1351542785.db2.gz VFAQAMFUTHDIBN-WCQYABFASA-N -1 0 343.357 2.255 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)n1 ZINC001607709172 1351543914 /nfs/dbraw/zinc/54/39/14/1351543914.db2.gz FQZXTWWAEJLNIY-CQSZACIVSA-N -1 0 347.302 2.301 20 5 EEBDRM O=C([O-])[C@H]1CCCC[C@@H]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC001608625614 1351728748 /nfs/dbraw/zinc/72/87/48/1351728748.db2.gz YCXUVXJSUQFDAT-ZJUUUORDSA-N -1 0 332.312 2.082 20 5 EEBDRM O=C([O-])COc1ccc(CNCC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC001608759607 1351756750 /nfs/dbraw/zinc/75/67/50/1351756750.db2.gz RTAHELJMAATMHZ-UHFFFAOYSA-N -1 0 340.229 2.048 20 5 EEBDRM O=C([O-])Cc1ccc(NCc2cc(=O)[nH]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC001608780695 1351761998 /nfs/dbraw/zinc/76/19/98/1351761998.db2.gz SAZPWTYQOMYUCZ-UHFFFAOYSA-N -1 0 344.327 2.207 20 5 EEBDRM O=C([O-])c1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)no1 ZINC001608835053 1351774934 /nfs/dbraw/zinc/77/49/34/1351774934.db2.gz PZZZWHWMFSAXQS-UHFFFAOYSA-N -1 0 331.284 2.086 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](n3ccnn3)CC2)c1 ZINC001608915011 1351793308 /nfs/dbraw/zinc/79/33/08/1351793308.db2.gz XXSBNSRZNDRYIA-LBPRGKRZSA-N -1 0 331.332 2.116 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CSCCO[C@@H]2CCOC2)c1 ZINC001608914817 1351793591 /nfs/dbraw/zinc/79/35/91/1351793591.db2.gz LMPOZKAHJBUTJS-GFCCVEGCSA-N -1 0 327.358 2.332 20 5 EEBDRM O=C([O-])c1ccccc1OCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC001608948793 1351800972 /nfs/dbraw/zinc/80/09/72/1351800972.db2.gz CAAGMXRPALUBRZ-UHFFFAOYSA-N -1 0 338.703 2.187 20 5 EEBDRM C[C@H](CO)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001320696986 1332936406 /nfs/dbraw/zinc/93/64/06/1332936406.db2.gz UNIDDOPFFMBQHN-GFCCVEGCSA-N -1 0 330.340 2.324 20 5 EEBDRM O=C([O-])[C@@H](Cc1ccc(F)cc1)OC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001609013653 1351814524 /nfs/dbraw/zinc/81/45/24/1351814524.db2.gz JHDRQVJQIFMRNQ-CQSZACIVSA-N -1 0 349.270 2.292 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1(C(C)(F)F)CC1 ZINC001333516886 1336061803 /nfs/dbraw/zinc/06/18/03/1336061803.db2.gz ZSUQGJMPPIAYGP-UHFFFAOYSA-N -1 0 348.327 2.144 20 5 EEBDRM CN(c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C)[C@@H]1CCSC1 ZINC001341594385 1337295099 /nfs/dbraw/zinc/29/50/99/1337295099.db2.gz WOTVCWJPEZBFMQ-SECBINFHSA-N -1 0 335.389 2.038 20 5 EEBDRM CN(Cc1ccccc1)C(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610125438 1352167651 /nfs/dbraw/zinc/16/76/51/1352167651.db2.gz IXEMNMUTENEWRP-UHFFFAOYSA-N -1 0 344.323 2.330 20 5 EEBDRM Cc1oc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1C(=O)[O-] ZINC001610585697 1352249566 /nfs/dbraw/zinc/24/95/66/1352249566.db2.gz VURWMMGITNGXTB-UHFFFAOYSA-N -1 0 332.312 2.362 20 5 EEBDRM O=C([O-])c1ccoc1COC(=O)CCOc1cccc([N+](=O)[O-])c1 ZINC001610657796 1352257762 /nfs/dbraw/zinc/25/77/62/1352257762.db2.gz BORPTYXHFYNMPR-UHFFFAOYSA-N -1 0 335.268 2.398 20 5 EEBDRM O=C([O-])CCC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001610765896 1352270887 /nfs/dbraw/zinc/27/08/87/1352270887.db2.gz JESRPBGTPUISMT-UHFFFAOYSA-N -1 0 349.217 2.204 20 5 EEBDRM O=C([O-])Cc1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)c([N+](=O)[O-])c1 ZINC001610792416 1352275472 /nfs/dbraw/zinc/27/54/72/1352275472.db2.gz HREKZDQCOCSABY-DOTOQJQBSA-N -1 0 328.324 2.292 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](OC(F)F)C2)cc([N+](=O)[O-])c1 ZINC001610808542 1352278208 /nfs/dbraw/zinc/27/82/08/1352278208.db2.gz AUJRULKOTDSEPF-LLVKDONJSA-N -1 0 344.270 2.137 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2cnc3ccccc3c2)c1=O ZINC001610817074 1352279645 /nfs/dbraw/zinc/27/96/45/1352279645.db2.gz AWTDDBLCVHGNFH-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1F ZINC001610839874 1352283217 /nfs/dbraw/zinc/28/32/17/1352283217.db2.gz DLNLOELWPSVQEX-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM Cc1c(NC(=O)N[C@H](CCO)C(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600038833 1349959812 /nfs/dbraw/zinc/95/98/12/1349959812.db2.gz GBUBVEJIXIHQEU-LLVKDONJSA-N -1 0 339.348 2.130 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001600164291 1349983517 /nfs/dbraw/zinc/98/35/17/1349983517.db2.gz KASSUJVFOQPZOI-UHFFFAOYSA-N -1 0 329.312 2.235 20 5 EEBDRM Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ncc1C(=O)[O-] ZINC001600256689 1350003785 /nfs/dbraw/zinc/00/37/85/1350003785.db2.gz DISIFHOTYCPPCG-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM Cc1ccc(CNC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC001600416497 1350046422 /nfs/dbraw/zinc/04/64/22/1350046422.db2.gz AWPCIXMOHJJMGJ-CYBMUJFWSA-N -1 0 335.360 2.203 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2csc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001600471555 1350059903 /nfs/dbraw/zinc/05/99/03/1350059903.db2.gz LHFRGMGQJOBRAR-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2F)sc1C(=O)[O-] ZINC001600713402 1350119890 /nfs/dbraw/zinc/11/98/90/1350119890.db2.gz FXFQWBULWMNKDO-UHFFFAOYSA-N -1 0 325.277 2.449 20 5 EEBDRM Cc1sc(C)c(C(=O)[O-])c1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001600876852 1350158412 /nfs/dbraw/zinc/15/84/12/1350158412.db2.gz OQNZFXHJWYCBBK-UHFFFAOYSA-N -1 0 337.313 2.324 20 5 EEBDRM Cn1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1C(=O)[O-] ZINC001601014860 1350190355 /nfs/dbraw/zinc/19/03/55/1350190355.db2.gz FBDORUYWINCEDA-UHFFFAOYSA-N -1 0 330.256 2.025 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001601572011 1350309777 /nfs/dbraw/zinc/30/97/77/1350309777.db2.gz QBRCAOSWRWKWGL-MCIONIFRSA-N -1 0 347.371 2.347 20 5 EEBDRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001601689179 1350338214 /nfs/dbraw/zinc/33/82/14/1350338214.db2.gz JRHMYXAMTHKDTC-OPRDCNLKSA-N -1 0 333.218 2.040 20 5 EEBDRM O=C([O-])CC1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001601916359 1350396173 /nfs/dbraw/zinc/39/61/73/1350396173.db2.gz IHEPNRMYPJBAJD-UHFFFAOYSA-N -1 0 336.344 2.125 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC12CC2 ZINC001602030692 1350422159 /nfs/dbraw/zinc/42/21/59/1350422159.db2.gz ANARIFAJHUKFCM-LBPRGKRZSA-N -1 0 336.369 2.444 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC001602120697 1350443571 /nfs/dbraw/zinc/44/35/71/1350443571.db2.gz GVCVUIXTSBHVAR-JTQLQIEISA-N -1 0 330.287 2.430 20 5 EEBDRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001602192016 1350461855 /nfs/dbraw/zinc/46/18/55/1350461855.db2.gz YEQPYVKQZLXUBT-GXTWGEPZSA-N -1 0 348.355 2.144 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001602204251 1350464625 /nfs/dbraw/zinc/46/46/25/1350464625.db2.gz KNZMTYFTIGSERX-VROVMSAKSA-N -1 0 325.708 2.043 20 5 EEBDRM O=C([O-])c1cc(Oc2nc(Cl)nc3[nH]cnc32)ccc1[N+](=O)[O-] ZINC001602290288 1350486741 /nfs/dbraw/zinc/48/67/41/1350486741.db2.gz LCGCOISOMUOCSI-UHFFFAOYSA-N -1 0 335.663 2.405 20 5 EEBDRM O=C([O-])c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001602380059 1350507531 /nfs/dbraw/zinc/50/75/31/1350507531.db2.gz VZZMCHYQSKPHKA-UHFFFAOYSA-N -1 0 342.311 2.278 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cn(-c3ccccc3)nn2)c1 ZINC001602405662 1350511890 /nfs/dbraw/zinc/51/18/90/1350511890.db2.gz DSYJDJGAQMOEGS-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCC1CC1 ZINC001602409310 1350512865 /nfs/dbraw/zinc/51/28/65/1350512865.db2.gz UKTZKDPVLRTMOL-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM O=C([O-])c1ccnc(Nc2ccc(OC3COC3)cc2)c1[N+](=O)[O-] ZINC001602484560 1350530068 /nfs/dbraw/zinc/53/00/68/1350530068.db2.gz FALNDPZWNDHTNJ-UHFFFAOYSA-N -1 0 331.284 2.209 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCC(=O)CC23CCC3)cc([N+](=O)[O-])c1 ZINC001602647249 1350565329 /nfs/dbraw/zinc/56/53/29/1350565329.db2.gz YYVMXTZGRYRQSS-UHFFFAOYSA-N -1 0 332.312 2.021 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC001602647768 1350565418 /nfs/dbraw/zinc/56/54/18/1350565418.db2.gz PWNBUGRPQISIMN-UZWSLXQKSA-N -1 0 345.355 2.391 20 5 EEBDRM C[C@@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC001603163704 1350653415 /nfs/dbraw/zinc/65/34/15/1350653415.db2.gz BSYBHEVGMMVGDG-KOLCDFICSA-N -1 0 338.335 2.455 20 5 EEBDRM CC(C)CCN(C)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001603793205 1350768528 /nfs/dbraw/zinc/76/85/28/1350768528.db2.gz XCSQTTLYJXMXSM-LLVKDONJSA-N -1 0 337.376 2.280 20 5 EEBDRM C[C@@H]1c2cccn2CCN1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603958961 1350814573 /nfs/dbraw/zinc/81/45/73/1350814573.db2.gz TWDMUTZRJFARRM-LLVKDONJSA-N -1 0 339.359 2.153 20 5 EEBDRM C[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604726739 1350992335 /nfs/dbraw/zinc/99/23/35/1350992335.db2.gz OAAIYKBUVUVEPZ-ZYHUDNBSSA-N -1 0 336.344 2.367 20 5 EEBDRM CCOC(=O)CCN(C)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001605537012 1351184214 /nfs/dbraw/zinc/18/42/14/1351184214.db2.gz RCVVIZSMNCTOCG-UHFFFAOYSA-N -1 0 330.724 2.336 20 5 EEBDRM COC(=O)Cc1ccc(N[C@H]2CC[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001606481109 1351308243 /nfs/dbraw/zinc/30/82/43/1351308243.db2.gz RKXFOBUORQWZDQ-PWSUYJOCSA-N -1 0 336.344 2.366 20 5 EEBDRM COc1cccc(C(=O)N2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)c1[N+](=O)[O-] ZINC001607303658 1351469114 /nfs/dbraw/zinc/46/91/14/1351469114.db2.gz LKEBTCQGKPHZHS-UWVGGRQHSA-N -1 0 336.344 2.317 20 5 EEBDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC001607310496 1351470444 /nfs/dbraw/zinc/47/04/44/1351470444.db2.gz FNWCNZAJSILTFA-MRXNPFEDSA-N -1 0 348.311 2.316 20 5 EEBDRM C[C@H](NCc1noc(CCCC(=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC001607462050 1351497864 /nfs/dbraw/zinc/49/78/64/1351497864.db2.gz KIVOOCVXYWICDW-JTQLQIEISA-N -1 0 334.332 2.236 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCOc3ccc(O)cc3C2)n1 ZINC001607589469 1351520456 /nfs/dbraw/zinc/52/04/56/1351520456.db2.gz YAXHAODHZQIMOL-UHFFFAOYSA-N -1 0 345.311 2.101 20 5 EEBDRM Cc1ccc(CNc2ccc(C(=O)NCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001607783903 1351558017 /nfs/dbraw/zinc/55/80/17/1351558017.db2.gz HFLMNVRCQQDORQ-UHFFFAOYSA-N -1 0 343.339 2.330 20 5 EEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001608123012 1351629485 /nfs/dbraw/zinc/62/94/85/1351629485.db2.gz JZNUGMBRRSIKKY-UHFFFAOYSA-N -1 0 325.227 2.162 20 5 EEBDRM Cn1nc(C(F)(F)F)cc1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001608145835 1351634215 /nfs/dbraw/zinc/63/42/15/1351634215.db2.gz VKXHMBNPWAXDHK-UHFFFAOYSA-N -1 0 345.237 2.052 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001608273612 1351660670 /nfs/dbraw/zinc/66/06/70/1351660670.db2.gz UFUQTPZNQKZIOO-JTQLQIEISA-N -1 0 341.323 2.396 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001608274915 1351661252 /nfs/dbraw/zinc/66/12/52/1351661252.db2.gz YKVIFIGBIOVZIA-UHFFFAOYSA-N -1 0 348.340 2.461 20 5 EEBDRM CN(C)c1ccc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001116515902 1371729882 /nfs/dbraw/zinc/72/98/82/1371729882.db2.gz UUXDHBKQTRRMRO-UHFFFAOYSA-N -1 0 329.356 2.339 20 5 EEBDRM CCCS(=O)(=O)[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835173141 1372599203 /nfs/dbraw/zinc/59/92/03/1372599203.db2.gz WBNHKLNZZYCHJB-UHFFFAOYSA-N -1 0 340.279 2.083 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](CC)C(=O)[O-] ZINC001605701367 1404750202 /nfs/dbraw/zinc/75/02/02/1404750202.db2.gz SNVMVCUAJDDOHK-VIFPVBQESA-N -1 0 325.321 2.226 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(C(=O)[O-])n1C ZINC001605701093 1404750274 /nfs/dbraw/zinc/75/02/74/1404750274.db2.gz DQSBBEJXPHRPNG-UHFFFAOYSA-N -1 0 348.311 2.387 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000172659476 1405741318 /nfs/dbraw/zinc/74/13/18/1405741318.db2.gz FULQUZSXGUXVKU-VIFPVBQESA-N -1 0 340.382 2.265 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1[N+](=O)[O-] ZINC000918378442 769069923 /nfs/dbraw/zinc/06/99/23/769069923.db2.gz CNARNPVQJLUZJO-UHFFFAOYSA-N -1 0 347.283 2.147 20 5 EEBDRM O=C([N-]n1cnc2ccccc2c1=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175575636 773647638 /nfs/dbraw/zinc/64/76/38/773647638.db2.gz DIGLXCAVPQPVSV-UHFFFAOYSA-N -1 0 344.714 2.342 20 5 EEBDRM Cn1nc(Br)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000816712234 784223220 /nfs/dbraw/zinc/22/32/20/784223220.db2.gz QNBRFPNDRHXUCL-UHFFFAOYSA-N -1 0 341.121 2.049 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2nonc21 ZINC000820800725 786477754 /nfs/dbraw/zinc/47/77/54/786477754.db2.gz CWYRPEQUVBHCIV-UHFFFAOYSA-N -1 0 334.313 2.240 20 5 EEBDRM O=C([O-])Cc1ccc(N2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000844208470 788927119 /nfs/dbraw/zinc/92/71/19/788927119.db2.gz UZQSBAUFLZLLGN-UHFFFAOYSA-N -1 0 330.344 2.260 20 5 EEBDRM Cn1ccnc1[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000844214558 788933571 /nfs/dbraw/zinc/93/35/71/788933571.db2.gz HVEAMMOYBWJBFW-GFCCVEGCSA-N -1 0 330.344 2.411 20 5 EEBDRM Cc1ccc(N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c([N+](=O)[O-])c1 ZINC000844216870 788934704 /nfs/dbraw/zinc/93/47/04/788934704.db2.gz ATVTZTXRSMJDKH-NSHDSACASA-N -1 0 331.332 2.034 20 5 EEBDRM O=C([O-])c1ccc(Nc2cccc3c2CNC(=O)C3)cc1[N+](=O)[O-] ZINC001174505903 797784914 /nfs/dbraw/zinc/78/49/14/797784914.db2.gz SQGKRWWVCOSGII-UHFFFAOYSA-N -1 0 327.296 2.209 20 5 EEBDRM CONC(=O)c1ccccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678870 798525923 /nfs/dbraw/zinc/52/59/23/798525923.db2.gz COAWUHQPBKZHDF-UHFFFAOYSA-N -1 0 331.284 2.328 20 5 EEBDRM O=C([O-])c1cc(Nc2ccc3c(c2)NC(=O)C3=O)cc([N+](=O)[O-])c1 ZINC001176679678 798526149 /nfs/dbraw/zinc/52/61/49/798526149.db2.gz OQNQHVTULYBKSB-UHFFFAOYSA-N -1 0 327.252 2.171 20 5 EEBDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000786646881 806838777 /nfs/dbraw/zinc/83/87/77/806838777.db2.gz BRKYNUXDRHKXGW-UHFFFAOYSA-N -1 0 334.353 2.276 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2cccc3c2COC3=O)ccc1[N+](=O)[O-] ZINC000808128524 812448472 /nfs/dbraw/zinc/44/84/72/812448472.db2.gz YVLQJGLNCMIOJU-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809067632 812955115 /nfs/dbraw/zinc/95/51/15/812955115.db2.gz RFMVWZLSOWIVGY-UHFFFAOYSA-N -1 0 334.353 2.163 20 5 EEBDRM O=C([O-])c1ncccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC001595274081 949886172 /nfs/dbraw/zinc/88/61/72/949886172.db2.gz XYLGKLLSWPZRED-UHFFFAOYSA-N -1 0 342.311 2.278 20 5 EEBDRM CCOc1cc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC001592211620 951315374 /nfs/dbraw/zinc/31/53/74/951315374.db2.gz ULZNMXFKGJCTPF-NSHDSACASA-N -1 0 339.348 2.472 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001592815269 951366578 /nfs/dbraw/zinc/36/65/78/951366578.db2.gz FTTPAQKPDWGKDB-UHFFFAOYSA-N -1 0 331.284 2.339 20 5 EEBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001595169152 952218069 /nfs/dbraw/zinc/21/80/69/952218069.db2.gz DTEPQBVRZRWBPW-KGLIPLIRSA-N -1 0 332.356 2.386 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001589302950 953703664 /nfs/dbraw/zinc/70/36/64/953703664.db2.gz CHCNTSJISKRRRN-MNOVXSKESA-N -1 0 338.385 2.399 20 5 EEBDRM O=C([O-])c1c[nH]nc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001594817072 953872496 /nfs/dbraw/zinc/87/24/96/953872496.db2.gz PUEUYLVIIZGBRK-UHFFFAOYSA-N -1 0 328.643 2.061 20 5 EEBDRM C[C@@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001589347620 954059361 /nfs/dbraw/zinc/05/93/61/954059361.db2.gz FGWDPIREIVFCSN-VXNVDRBHSA-N -1 0 341.751 2.013 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593763730 954497421 /nfs/dbraw/zinc/49/74/21/954497421.db2.gz JBIHNBCMWCDZIL-UHFFFAOYSA-N -1 0 330.300 2.352 20 5 EEBDRM O=C([O-])C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000013223914 956982932 /nfs/dbraw/zinc/98/29/32/956982932.db2.gz DWCUFUTUSCPTMZ-CYBMUJFWSA-N -1 0 344.323 2.306 20 5 EEBDRM COc1cc(C(=O)Nc2ncccc2C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001594050802 957987965 /nfs/dbraw/zinc/98/79/65/957987965.db2.gz OZJNNIBAXRKVFG-UHFFFAOYSA-N -1 0 335.247 2.088 20 5 EEBDRM CC(C)[C@@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C(=O)[O-] ZINC001573558414 959261106 /nfs/dbraw/zinc/26/11/06/959261106.db2.gz MACDLEAGCXQUJJ-CYBMUJFWSA-N -1 0 331.328 2.169 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC001574381882 961108826 /nfs/dbraw/zinc/10/88/26/961108826.db2.gz IDTFSIVMYMRRDS-NSHDSACASA-N -1 0 336.344 2.136 20 5 EEBDRM C[C@H](C(=O)[O-])C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001609701272 970471900 /nfs/dbraw/zinc/47/19/00/970471900.db2.gz XKKDLVBKNKXTOV-CDUCUWFYSA-N -1 0 338.213 2.174 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001603380019 972944737 /nfs/dbraw/zinc/94/47/37/972944737.db2.gz CCKROMKACBUTHO-YPMHNXCESA-N -1 0 348.355 2.269 20 5 EEBDRM O=C([O-])[C@@H]1CN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CCO1 ZINC001606048666 973156347 /nfs/dbraw/zinc/15/63/47/973156347.db2.gz APQGAIUVWDSEJF-NSHDSACASA-N -1 0 337.719 2.086 20 5 EEBDRM O=C([O-])c1cccnc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001605681952 974097124 /nfs/dbraw/zinc/09/71/24/974097124.db2.gz JNZRMRWREWREQE-UHFFFAOYSA-N -1 0 330.300 2.129 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001591705707 975573756 /nfs/dbraw/zinc/57/37/56/975573756.db2.gz WMRDGOKMRWVZSP-BXUZGUMPSA-N -1 0 338.360 2.035 20 5 EEBDRM CC(C)Oc1cc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591751323 975804758 /nfs/dbraw/zinc/80/47/58/975804758.db2.gz PKKWQUXRBROIBX-LBPRGKRZSA-N -1 0 336.344 2.365 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC001595047762 979260141 /nfs/dbraw/zinc/26/01/41/979260141.db2.gz HYCJQQWTJRXMSF-UHFFFAOYSA-N -1 0 334.332 2.108 20 5 EEBDRM CCC(O)(CC)CN(C)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001595325148 980531191 /nfs/dbraw/zinc/53/11/91/980531191.db2.gz OSPSHJRIUOMHLZ-UHFFFAOYSA-N -1 0 341.320 2.189 20 5 EEBDRM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C[C@H](C)[S@]1=O ZINC001595492762 981255216 /nfs/dbraw/zinc/25/52/16/981255216.db2.gz UVUCASXMHDVZLF-XMWNIVNYSA-N -1 0 340.401 2.337 20 5 EEBDRM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C[C@@H](C)[S@@]1=O ZINC001595492754 981255278 /nfs/dbraw/zinc/25/52/78/981255278.db2.gz UVUCASXMHDVZLF-HFXCSBFXSA-N -1 0 340.401 2.337 20 5 EEBDRM CCCC[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)[O-] ZINC001595645262 981987100 /nfs/dbraw/zinc/98/71/00/981987100.db2.gz OQBNMGZPOUILIW-NSHDSACASA-N -1 0 326.261 2.303 20 5 EEBDRM CCCC[C@@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC001595652164 982031425 /nfs/dbraw/zinc/03/14/25/982031425.db2.gz ZUXHRJDYOBGQPZ-CYBMUJFWSA-N -1 0 335.316 2.131 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001594902149 982360830 /nfs/dbraw/zinc/36/08/30/982360830.db2.gz KLLPNQMHCAIWCA-AMIZOPFISA-N -1 0 344.364 2.442 20 5 EEBDRM CCNc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001596501258 984253770 /nfs/dbraw/zinc/25/37/70/984253770.db2.gz LPIXDZBFYJSAQJ-SJCJKPOMSA-N -1 0 347.371 2.354 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001589002314 984947370 /nfs/dbraw/zinc/94/73/70/984947370.db2.gz PJJFUFRCDBVQGI-GDXASINISA-N -1 0 341.323 2.335 20 5 EEBDRM Cc1[nH]c(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC001599947539 985553709 /nfs/dbraw/zinc/55/37/09/985553709.db2.gz KUYYOLBOQZJQPD-UHFFFAOYSA-N -1 0 346.295 2.278 20 5 EEBDRM CCOC1CC2(C[C@H]2C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001596848592 985569882 /nfs/dbraw/zinc/56/98/82/985569882.db2.gz CKUISIFEJBVSEG-YWFMTQBDSA-N -1 0 335.312 2.404 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)n1 ZINC001597899768 989771830 /nfs/dbraw/zinc/77/18/30/989771830.db2.gz RGCWEWZZICSTKZ-VIFPVBQESA-N -1 0 332.316 2.252 20 5 EEBDRM CN(C1(C)CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598366447 991525177 /nfs/dbraw/zinc/52/51/77/991525177.db2.gz SWWMCDUGWSTJAY-UHFFFAOYSA-N -1 0 342.373 2.246 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=S)NCCCC(=O)[O-] ZINC001598508412 992535095 /nfs/dbraw/zinc/53/50/95/992535095.db2.gz GOWPMSOZNGFSHG-UHFFFAOYSA-N -1 0 345.808 2.419 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC001599622144 994098117 /nfs/dbraw/zinc/09/81/17/994098117.db2.gz TUWOSCWWWNYWIK-UHFFFAOYSA-N -1 0 334.284 2.133 20 5 EEBDRM COc1cccc(C(=O)N(C)c2ncc(C(=O)[O-])s2)c1[N+](=O)[O-] ZINC001599640355 994349475 /nfs/dbraw/zinc/34/94/75/994349475.db2.gz GDAJNCUTSXDDSY-UHFFFAOYSA-N -1 0 337.313 2.035 20 5 EEBDRM C[C@@H](OC(=O)c1c(F)ccc([N+](=O)[O-])c1F)C(=O)C(C)(C)C(=O)[O-] ZINC001593553175 995633424 /nfs/dbraw/zinc/63/34/24/995633424.db2.gz KVOOPBPZUBLMOI-ZCFIWIBFSA-N -1 0 345.254 2.098 20 5 EEBDRM CC1(C)CC[C@H](CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)OC1 ZINC001593878418 996704026 /nfs/dbraw/zinc/70/40/26/996704026.db2.gz QSFGMEWWEVHRBM-CYBMUJFWSA-N -1 0 336.344 2.228 20 5 EEBDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001599387921 996978597 /nfs/dbraw/zinc/97/85/97/996978597.db2.gz XXALBOBFCUQWEM-UHFFFAOYSA-N -1 0 331.284 2.136 20 5 EEBDRM COCC1=CCN(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC001599202829 997346427 /nfs/dbraw/zinc/34/64/27/997346427.db2.gz QGOVDQJBTAWUHO-UHFFFAOYSA-N -1 0 349.343 2.412 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1CN[C@](C)(CC(=O)[O-])c1cccnc1 ZINC001599462288 998294694 /nfs/dbraw/zinc/29/46/94/998294694.db2.gz MMDJQNHKKRUDPJ-QGZVFWFLSA-N -1 0 345.355 2.478 20 5 EEBDRM Cc1c(Br)c(N2C[C@@H](F)C[C@H]2C(=O)[O-])ncc1[N+](=O)[O-] ZINC001600059234 1117872634 /nfs/dbraw/zinc/87/26/34/1117872634.db2.gz GKTGBDCFLYXFTM-BQBZGAKWSA-N -1 0 348.128 2.062 20 5 EEBDRM CCCC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(=O)[O-] ZINC000263537849 282919783 /nfs/dbraw/zinc/91/97/83/282919783.db2.gz AQMIIGSTFSSFPD-LLVKDONJSA-N -1 0 330.362 2.054 20 5 EEBDRM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000032797853 212845572 /nfs/dbraw/zinc/84/55/72/212845572.db2.gz IEUWOPNBDWPUCM-JTQLQIEISA-N -1 0 334.353 2.440 20 5 EEBDRM O=C(NCc1ccc(N2CCCC2)nc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130380383 223148669 /nfs/dbraw/zinc/14/86/69/223148669.db2.gz NPESZESOPWCNSC-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424206204 240866251 /nfs/dbraw/zinc/86/62/51/240866251.db2.gz GZRSQYOFOHUHRM-UHFFFAOYSA-N -1 0 328.390 2.380 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc3c(n2)CCC3)c([N+](=O)[O-])c1 ZINC000451098744 243000509 /nfs/dbraw/zinc/00/05/09/243000509.db2.gz YDRGXXHSDRLDLH-UHFFFAOYSA-N -1 0 349.368 2.288 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000262859813 245219218 /nfs/dbraw/zinc/21/92/18/245219218.db2.gz FBWKWYRTOYYLMY-JTQLQIEISA-N -1 0 329.312 2.222 20 5 EEBDRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000336878615 304253004 /nfs/dbraw/zinc/25/30/04/304253004.db2.gz GZBZXCRTHYZINJ-UHFFFAOYSA-N -1 0 326.308 2.492 20 5 EEBDRM CC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000195337793 256011290 /nfs/dbraw/zinc/01/12/90/256011290.db2.gz PHAHEKRINFIWQX-JTQLQIEISA-N -1 0 341.311 2.032 20 5 EEBDRM O=C([O-])[C@@H](CC1CC1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262194838 160444728 /nfs/dbraw/zinc/44/47/28/160444728.db2.gz TTXMJRPWRMHJMT-CQSZACIVSA-N -1 0 335.360 2.156 20 5 EEBDRM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000262260102 160447892 /nfs/dbraw/zinc/44/78/92/160447892.db2.gz MDOAGVYEGWLSTC-GHMZBOCLSA-N -1 0 346.261 2.238 20 5 EEBDRM C[C@H](NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000263363823 160459532 /nfs/dbraw/zinc/45/95/32/160459532.db2.gz SPUSTRWMLDPGHT-GVXVVHGQSA-N -1 0 335.360 2.408 20 5 EEBDRM CO[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121003716 159398445 /nfs/dbraw/zinc/39/84/45/159398445.db2.gz FBRQBTDAQOVTML-OCCSQVGLSA-N -1 0 342.417 2.448 20 5 EEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nc[nH]n2)cc1 ZINC000186257913 160064235 /nfs/dbraw/zinc/06/42/35/160064235.db2.gz BAZQSESSLGTSSU-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CCC[C@H](CCO)CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190033734 160153870 /nfs/dbraw/zinc/15/38/70/160153870.db2.gz IYOPDIXMFTYLTR-CYBMUJFWSA-N -1 0 344.433 2.289 20 5 EEBDRM Nc1c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC000238062958 160227864 /nfs/dbraw/zinc/22/78/64/160227864.db2.gz YTNGZGIPESNKES-LBPRGKRZSA-N -1 0 329.312 2.123 20 5 EEBDRM C[C@H](C(=O)[O-])N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342561800 161074177 /nfs/dbraw/zinc/07/41/77/161074177.db2.gz IEPBFWWPSKGMIF-MRVPVSSYSA-N -1 0 335.341 2.263 20 5 EEBDRM COC(=O)C1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCC(C)CC1 ZINC000355649117 163258793 /nfs/dbraw/zinc/25/87/93/163258793.db2.gz FULZOXCKGIBNGC-UHFFFAOYSA-N -1 0 336.344 2.152 20 5 EEBDRM Cc1cccc(C)c1NC(=O)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356198709 163363998 /nfs/dbraw/zinc/36/39/98/163363998.db2.gz KVPADMQZQPFKKM-UHFFFAOYSA-N -1 0 343.339 2.286 20 5 EEBDRM CC(=O)NCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000154023014 292515552 /nfs/dbraw/zinc/51/55/52/292515552.db2.gz SWMAYDFARJABNK-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM CCc1nn(C)c(CC)c1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272705851 269011450 /nfs/dbraw/zinc/01/14/50/269011450.db2.gz WEHPKWRPCDATAZ-UHFFFAOYSA-N -1 0 332.360 2.089 20 5 EEBDRM CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000274984751 269081992 /nfs/dbraw/zinc/08/19/92/269081992.db2.gz DMLISERPCNVTKS-ZANVPECISA-N -1 0 344.389 2.023 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)[C@H](C)CC(=O)[O-] ZINC000275250490 269104258 /nfs/dbraw/zinc/10/42/58/269104258.db2.gz HTZRFTSWXGFPBD-SNVBAGLBSA-N -1 0 344.389 2.031 20 5 EEBDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000277389171 269152582 /nfs/dbraw/zinc/15/25/82/269152582.db2.gz DDJQZRKDDZXQPX-UHFFFAOYSA-N -1 0 338.213 2.096 20 5 EEBDRM Cn1c(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)nc2c1cccc2Cl ZINC000183837907 274017743 /nfs/dbraw/zinc/01/77/43/274017743.db2.gz MHQZGYODZRRJQN-UHFFFAOYSA-N -1 0 347.718 2.488 20 5 EEBDRM Cc1ccc2c(c1)nc(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)n2C ZINC000184014921 274018658 /nfs/dbraw/zinc/01/86/58/274018658.db2.gz JXUBPQVGIATTBQ-UHFFFAOYSA-N -1 0 340.339 2.426 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)cc1[N+](=O)[O-] ZINC000290499915 275212961 /nfs/dbraw/zinc/21/29/61/275212961.db2.gz KJEJWOREYDEXPH-UHFFFAOYSA-N -1 0 336.373 2.315 20 5 EEBDRM CC(C)C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000236637791 279190923 /nfs/dbraw/zinc/19/09/23/279190923.db2.gz JNMUQUIVZOJEDD-AWEZNQCLSA-N -1 0 346.343 2.010 20 5 EEBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000237524052 297362489 /nfs/dbraw/zinc/36/24/89/297362489.db2.gz PQSIBUZPMYSMIS-TXEJJXNPSA-N -1 0 349.387 2.282 20 5 EEBDRM Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cnn1[C@@H]1CCOC1 ZINC000456271959 300980277 /nfs/dbraw/zinc/98/02/77/300980277.db2.gz TXGYZKUJOQAIGR-SNVBAGLBSA-N -1 0 332.316 2.019 20 5 EEBDRM CN(C)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cn1 ZINC000350639626 312335591 /nfs/dbraw/zinc/33/55/91/312335591.db2.gz XIOQEQQTWJUZKP-UHFFFAOYSA-N -1 0 327.300 2.478 20 5 EEBDRM CC(C)[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000416401057 313212797 /nfs/dbraw/zinc/21/27/97/313212797.db2.gz SSOIMLKBGMUSCI-ZDUSSCGKSA-N -1 0 346.343 2.080 20 5 EEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(C)cc2F)c([N+](=O)[O-])n1 ZINC000435728330 314921025 /nfs/dbraw/zinc/92/10/25/314921025.db2.gz KSFKULQTUIVHMU-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H](CC)CN1C(C)=O ZINC000436791443 314998574 /nfs/dbraw/zinc/99/85/74/314998574.db2.gz JNYMUNRIIJAACW-CHWSQXEVSA-N -1 0 349.387 2.162 20 5 EEBDRM Cc1cccc2c1OC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000436821314 315002007 /nfs/dbraw/zinc/00/20/07/315002007.db2.gz OSRGNWJMFQMWJU-LBPRGKRZSA-N -1 0 328.324 2.342 20 5 EEBDRM O=C(NC[C@@H](O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436836873 315003742 /nfs/dbraw/zinc/00/37/42/315003742.db2.gz FXUYDVMAQIYZMP-ZDUSSCGKSA-N -1 0 330.340 2.024 20 5 EEBDRM O=C(NCCc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436951646 315015772 /nfs/dbraw/zinc/01/57/72/315015772.db2.gz GSDXGCPSFFHVLH-UHFFFAOYSA-N -1 0 344.323 2.044 20 5 EEBDRM COC(=O)c1cccc(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436976347 315018895 /nfs/dbraw/zinc/01/88/95/315018895.db2.gz BURIQUVIPNLPBT-UHFFFAOYSA-N -1 0 344.323 2.060 20 5 EEBDRM COC(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436972714 315018915 /nfs/dbraw/zinc/01/89/15/315018915.db2.gz QCZINAPFFXXHPK-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000437001761 315022592 /nfs/dbraw/zinc/02/25/92/315022592.db2.gz WXJBVOZRDZPCNP-UHFFFAOYSA-N -1 0 342.307 2.448 20 5 EEBDRM O=C(Nc1ccc(N2CCNC2=O)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000443966932 315266695 /nfs/dbraw/zinc/26/66/95/315266695.db2.gz OOFHTNNFULJHNI-UHFFFAOYSA-N -1 0 342.311 2.082 20 5 EEBDRM O=C([O-])c1occc1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000519536777 316786685 /nfs/dbraw/zinc/78/66/85/316786685.db2.gz ALPVRLRAYWSSJL-UHFFFAOYSA-N -1 0 331.328 2.208 20 5 EEBDRM CN(CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1[N+](=O)[O-] ZINC000537481168 318018022 /nfs/dbraw/zinc/01/80/22/318018022.db2.gz GUUVAGFRWVNSLX-UHFFFAOYSA-N -1 0 349.387 2.134 20 5 EEBDRM O=C([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000563815254 319045855 /nfs/dbraw/zinc/04/58/55/319045855.db2.gz KTSIYKWMIUOEER-UHFFFAOYSA-N -1 0 334.357 2.076 20 5 EEBDRM CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000570969798 319714778 /nfs/dbraw/zinc/71/47/78/319714778.db2.gz KOLMANAATNGOTI-ONGXEEELSA-N -1 0 342.373 2.061 20 5 EEBDRM C/C=C\C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000575192138 320094907 /nfs/dbraw/zinc/09/49/07/320094907.db2.gz KOGJXDLJPHCPMK-XQJDBVBESA-N -1 0 331.328 2.085 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000575320339 320100538 /nfs/dbraw/zinc/10/05/38/320100538.db2.gz RCXJCZUMHDWFDO-CYBMUJFWSA-N -1 0 332.360 2.475 20 5 EEBDRM Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3[O-])nc12 ZINC000184764504 465024747 /nfs/dbraw/zinc/02/47/47/465024747.db2.gz KGMFYCOKJFJGKI-UHFFFAOYSA-N -1 0 326.312 2.187 20 5 EEBDRM CCC(CC)(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000336888171 465083008 /nfs/dbraw/zinc/08/30/08/465083008.db2.gz JPZUUBVBCRTVSM-UHFFFAOYSA-N -1 0 346.343 2.154 20 5 EEBDRM COC(=O)COc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000356329263 465315042 /nfs/dbraw/zinc/31/50/42/465315042.db2.gz RYYQANFZZXJZPV-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000155755536 462938897 /nfs/dbraw/zinc/93/88/97/462938897.db2.gz JGBYTFIIMDSTPH-QWHCGFSZSA-N -1 0 330.344 2.411 20 5 EEBDRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000134765344 463079755 /nfs/dbraw/zinc/07/97/55/463079755.db2.gz AJXBPYMWIWYZMZ-UHFFFAOYSA-N -1 0 341.345 2.263 20 5 EEBDRM Cn1ccnc1-c1csc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000124028719 463386391 /nfs/dbraw/zinc/38/63/91/463386391.db2.gz CAQDZGLWFAWGEG-UHFFFAOYSA-N -1 0 345.340 2.410 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(c2ccccc2F)CC1 ZINC000163967960 463610610 /nfs/dbraw/zinc/61/06/10/463610610.db2.gz RGELZQJPADUIGD-UHFFFAOYSA-N -1 0 345.330 2.402 20 5 EEBDRM Cn1ccnc1C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000164848191 463633149 /nfs/dbraw/zinc/63/31/49/463633149.db2.gz JFWBHTDTLSQTLI-GFCCVEGCSA-N -1 0 344.371 2.129 20 5 EEBDRM O=C(NCCCCNc1ccccn1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000109627983 463645216 /nfs/dbraw/zinc/64/52/16/463645216.db2.gz ZPMUVBPSBFQFTJ-UHFFFAOYSA-N -1 0 330.344 2.318 20 5 EEBDRM CCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](CC)C(=O)OCC ZINC000276902292 463799663 /nfs/dbraw/zinc/79/96/63/463799663.db2.gz NRURIQYCFLYKFE-GFCCVEGCSA-N -1 0 338.360 2.494 20 5 EEBDRM O=C([O-])C1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261733589 463843121 /nfs/dbraw/zinc/84/31/21/463843121.db2.gz NDOGAFBMZVODAZ-UHFFFAOYSA-N -1 0 338.385 2.447 20 5 EEBDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261783281 463859311 /nfs/dbraw/zinc/85/93/11/463859311.db2.gz YEHZDPSZQODRKH-YUELXQCFSA-N -1 0 332.356 2.382 20 5 EEBDRM COc1cccc(S([O-])=CC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000178280201 463873367 /nfs/dbraw/zinc/87/33/67/463873367.db2.gz KFCBLQJSVXRDPB-XMMPIXPASA-N -1 0 348.380 2.027 20 5 EEBDRM CSc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1[N+](=O)[O-] ZINC000261920611 463900092 /nfs/dbraw/zinc/90/00/92/463900092.db2.gz HYAIDTRKZYLMLA-CYBMUJFWSA-N -1 0 342.398 2.007 20 5 EEBDRM CCOC[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000262214374 463973597 /nfs/dbraw/zinc/97/35/97/463973597.db2.gz WFRAACDLHHRVKQ-LLVKDONJSA-N -1 0 336.344 2.182 20 5 EEBDRM CC(C)c1ccc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC000263536760 464125823 /nfs/dbraw/zinc/12/58/23/464125823.db2.gz OXMQKTMHVCIHSN-MRXNPFEDSA-N -1 0 336.344 2.082 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000292581449 464279511 /nfs/dbraw/zinc/27/95/11/464279511.db2.gz PKSRNCQBSNSHHU-CABCVRRESA-N -1 0 332.356 2.474 20 5 EEBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1CC(F)(F)F ZINC000182170172 464589085 /nfs/dbraw/zinc/58/90/85/464589085.db2.gz SIBSFINKLCLGEL-VIFPVBQESA-N -1 0 347.293 2.009 20 5 EEBDRM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000286105487 464806032 /nfs/dbraw/zinc/80/60/32/464806032.db2.gz OXCHQRZLSZDYJC-VIFPVBQESA-N -1 0 339.348 2.400 20 5 EEBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1noc(C2CC2)n1 ZINC000183400850 464859951 /nfs/dbraw/zinc/85/99/51/464859951.db2.gz ISKPGUMGUYVURD-UHFFFAOYSA-N -1 0 344.736 2.309 20 5 EEBDRM CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184734880 465022490 /nfs/dbraw/zinc/02/24/90/465022490.db2.gz CHXFLCFSWCZTAP-GFCCVEGCSA-N -1 0 349.387 2.069 20 5 EEBDRM CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000600048060 468442880 /nfs/dbraw/zinc/44/28/80/468442880.db2.gz ASPISWGVAMETTE-UHFFFAOYSA-N -1 0 348.315 2.231 20 5 EEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc(C(F)(F)F)no1 ZINC000600030618 468439423 /nfs/dbraw/zinc/43/94/23/468439423.db2.gz RVWZIYMRVUHAFA-RXMQYKEDSA-N -1 0 346.221 2.193 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)Cc1cccc(F)c1 ZINC000362555437 465827269 /nfs/dbraw/zinc/82/72/69/465827269.db2.gz JIRDUTWZDLNSMH-ZDUSSCGKSA-N -1 0 346.314 2.407 20 5 EEBDRM COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000349105779 465973018 /nfs/dbraw/zinc/97/30/18/465973018.db2.gz HIXSJGIRAUYLRB-XQRVVYSFSA-N -1 0 345.311 2.205 20 5 EEBDRM Cc1cccc(C(=O)NCc2cccc(OCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC000362815264 466048188 /nfs/dbraw/zinc/04/81/88/466048188.db2.gz UIZFBJFDLUFWQF-UHFFFAOYSA-N -1 0 344.323 2.297 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2O)c([N+](=O)[O-])c1 ZINC000320264554 466605440 /nfs/dbraw/zinc/60/54/40/466605440.db2.gz ZTUZSFCNYQWCFH-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM C[C@@H](CCc1ccco1)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000321316217 466621527 /nfs/dbraw/zinc/62/15/27/466621527.db2.gz NGZCLBNIXFWUAY-JTQLQIEISA-N -1 0 340.357 2.193 20 5 EEBDRM COc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000324278149 466645486 /nfs/dbraw/zinc/64/54/86/466645486.db2.gz NNQCSEIRBMJFEO-UHFFFAOYSA-N -1 0 336.344 2.320 20 5 EEBDRM O=C([O-])CC1(NC(=O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000325503441 466658705 /nfs/dbraw/zinc/65/87/05/466658705.db2.gz GBIGWHBJHIJFHB-UHFFFAOYSA-N -1 0 336.344 2.267 20 5 EEBDRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000417378187 466845452 /nfs/dbraw/zinc/84/54/52/466845452.db2.gz QUIGMEPRTRZMLS-MNOVXSKESA-N -1 0 326.736 2.221 20 5 EEBDRM O=C([O-])c1cc(C(=O)Nc2ccc3nccnc3c2)cc([N+](=O)[O-])c1 ZINC000432097887 467215203 /nfs/dbraw/zinc/21/52/03/467215203.db2.gz XELOTKFUKLZDFI-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc2c(cn1)CCC2 ZINC000451046261 467234374 /nfs/dbraw/zinc/23/43/74/467234374.db2.gz GATPBIYASURKIS-UHFFFAOYSA-N -1 0 349.368 2.288 20 5 EEBDRM CN(CCOCc1ccccc1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000383717800 467381671 /nfs/dbraw/zinc/38/16/71/467381671.db2.gz SWEWGNTVPZHWPI-UHFFFAOYSA-N -1 0 331.328 2.341 20 5 EEBDRM Cc1ccc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)[nH]n2)o1 ZINC000447802144 467588809 /nfs/dbraw/zinc/58/88/09/467588809.db2.gz HRFUIPQWJUGPQQ-UHFFFAOYSA-N -1 0 328.284 2.844 20 5 EEBDRM CC(=O)NC[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])CC(C)C ZINC000450397320 467842871 /nfs/dbraw/zinc/84/28/71/467842871.db2.gz YUIUTCBTKPWHIQ-LBPRGKRZSA-N -1 0 337.376 2.427 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@]2(C)CCO[C@H]2C2CC2)n1 ZINC000574920029 468132912 /nfs/dbraw/zinc/13/29/12/468132912.db2.gz VPVUHLLGESXTBA-BBRMVZONSA-N -1 0 335.360 2.614 20 5 EEBDRM CCC(CC)(NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000550616226 468219518 /nfs/dbraw/zinc/21/95/18/468219518.db2.gz DOOZORRRXZTWOJ-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM CC[C@@H](COCC(F)(F)F)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578656106 468234901 /nfs/dbraw/zinc/23/49/01/468234901.db2.gz IBFDCEWSLAKKOO-ZETCQYMHSA-N -1 0 337.254 2.457 20 5 EEBDRM C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@]1(C)C(=O)[O-] ZINC000567971106 468247412 /nfs/dbraw/zinc/24/74/12/468247412.db2.gz YJJBSXGJCBWCLA-PIGZYNQJSA-N -1 0 345.355 2.119 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCN(CC(F)(F)F)C2)n1 ZINC000567982157 468249503 /nfs/dbraw/zinc/24/95/03/468249503.db2.gz OTUBQRZKJRCQME-MRVPVSSYSA-N -1 0 348.281 2.045 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CCF)c2)c1C ZINC000600658910 468613075 /nfs/dbraw/zinc/61/30/75/468613075.db2.gz BTBXAGALVDQCNX-UHFFFAOYSA-N -1 0 342.352 2.178 20 5 EEBDRM Cc1cccc2c1C[C@H](Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CO2 ZINC000600678408 468618242 /nfs/dbraw/zinc/61/82/42/468618242.db2.gz QCRQGSVFNWBLCK-NSHDSACASA-N -1 0 329.312 2.412 20 5 EEBDRM O=C([O-])c1ccc2c(c1)[C@H](CNc1ncc([N+](=O)[O-])cn1)CCC2 ZINC000594735465 468667606 /nfs/dbraw/zinc/66/76/06/468667606.db2.gz GVFMHOOWMDKTQF-LBPRGKRZSA-N -1 0 328.328 2.615 20 5 EEBDRM O=C([O-])c1cnc(N2CCC([C@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000594734809 468667850 /nfs/dbraw/zinc/66/78/50/468667850.db2.gz FOKFOCKVBKTZQE-CQSZACIVSA-N -1 0 335.360 2.474 20 5 EEBDRM O=C([O-])[C@@H]1CCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000600866714 468671364 /nfs/dbraw/zinc/67/13/64/468671364.db2.gz NTQLUWLIOSRKND-GFCCVEGCSA-N -1 0 332.356 2.340 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCN2CCc3sccc3C2)n1 ZINC000583875058 468769276 /nfs/dbraw/zinc/76/92/76/468769276.db2.gz VATXAVSHKWEAPM-UHFFFAOYSA-N -1 0 348.384 2.220 20 5 EEBDRM C[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1CO ZINC000592782156 468784353 /nfs/dbraw/zinc/78/43/53/468784353.db2.gz BLVVVWBFDKAANU-PELKAZGASA-N -1 0 328.752 2.187 20 5 EEBDRM CN(CC1=CCCOC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000598196881 468791693 /nfs/dbraw/zinc/79/16/93/468791693.db2.gz DAKFFMNIFMWPMN-UHFFFAOYSA-N -1 0 326.736 2.373 20 5 EEBDRM Cc1cc(N2CCC[C@@H]2c2nncn2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976278 468831632 /nfs/dbraw/zinc/83/16/32/468831632.db2.gz ZWSHSNWQDRDNFN-GFCCVEGCSA-N -1 0 331.332 2.071 20 5 EEBDRM COc1cccc(C(=O)N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000598663683 468950436 /nfs/dbraw/zinc/95/04/36/468950436.db2.gz XMQUUTZSEBSJBG-GTNSWQLSSA-N -1 0 348.355 2.320 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-])c1 ZINC000562643521 469017006 /nfs/dbraw/zinc/01/70/06/469017006.db2.gz WAGSZSWZAHQQNW-NSHDSACASA-N -1 0 344.389 2.084 20 5 EEBDRM CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000614898395 469086637 /nfs/dbraw/zinc/08/66/37/469086637.db2.gz XOUSVTLNDXBAFI-CYBMUJFWSA-N -1 0 348.277 2.484 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000610853091 469090695 /nfs/dbraw/zinc/09/06/95/469090695.db2.gz DJQRLYYHCYASER-UHFFFAOYSA-N -1 0 331.328 2.451 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1F ZINC000611220086 469197913 /nfs/dbraw/zinc/19/79/13/469197913.db2.gz BYCZIZMJWXOTED-CYBMUJFWSA-N -1 0 348.286 2.084 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000611463947 469255288 /nfs/dbraw/zinc/25/52/88/469255288.db2.gz JMESVYNNHHTNOT-HNNXBMFYSA-N -1 0 347.302 2.088 20 5 EEBDRM O=C(Nc1ccccc1-n1cncn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534457 469274433 /nfs/dbraw/zinc/27/44/33/469274433.db2.gz FLDGUUNYBGDKCJ-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CCCc2c1cnn2C ZINC000614003855 469830437 /nfs/dbraw/zinc/83/04/37/469830437.db2.gz YTMGXPHQLRCFGC-AWEZNQCLSA-N -1 0 330.344 2.184 20 5 EEBDRM CCCCNC(=O)C1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000160011809 528494719 /nfs/dbraw/zinc/49/47/19/528494719.db2.gz RAHFUJQWFZWHRN-UHFFFAOYSA-N -1 0 349.387 2.069 20 5 EEBDRM CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183917098 529115928 /nfs/dbraw/zinc/11/59/28/529115928.db2.gz OWPOSQSEBHKOQS-AWEZNQCLSA-N -1 0 347.327 2.287 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c(F)c1 ZINC000729666689 576671515 /nfs/dbraw/zinc/67/15/15/576671515.db2.gz ZLONIOJXOBVGNS-UHFFFAOYSA-N -1 0 325.321 2.425 20 5 EEBDRM C[C@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000769299970 577574531 /nfs/dbraw/zinc/57/45/31/577574531.db2.gz UYLODFJPMRSTAG-IUCAKERBSA-N -1 0 332.403 2.288 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC12CCCC2 ZINC000770770956 577603403 /nfs/dbraw/zinc/60/34/03/577603403.db2.gz DZIDQWXXIFJOJS-JTQLQIEISA-N -1 0 342.348 2.119 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(Cl)cs1 ZINC000759401445 577642156 /nfs/dbraw/zinc/64/21/56/577642156.db2.gz FBZOVKBVYJLDCU-UHFFFAOYSA-N -1 0 346.773 2.428 20 5 EEBDRM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cccc1[N+](=O)[O-] ZINC000762596413 577704126 /nfs/dbraw/zinc/70/41/26/577704126.db2.gz ZYQWJLWQHGZLRR-UHFFFAOYSA-N -1 0 348.336 2.374 20 5 EEBDRM CCOC(=O)c1cnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[n-]1 ZINC000752981215 577779511 /nfs/dbraw/zinc/77/95/11/577779511.db2.gz YMFDUVZSQPOILD-UHFFFAOYSA-N -1 0 338.707 2.400 20 5 EEBDRM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000753986796 577798018 /nfs/dbraw/zinc/79/80/18/577798018.db2.gz OEDGTNRKIFGPQT-UHFFFAOYSA-N -1 0 331.284 2.181 20 5 EEBDRM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])s1 ZINC000742283911 577870478 /nfs/dbraw/zinc/87/04/78/577870478.db2.gz WSMDEJUYGAIZQX-VIFPVBQESA-N -1 0 327.387 2.399 20 5 EEBDRM Cn1cc(CCCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000739028817 578035815 /nfs/dbraw/zinc/03/58/15/578035815.db2.gz NKMHBHUGCUHWCU-FNORWQNLSA-N -1 0 330.344 2.471 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCC[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000739622425 578061308 /nfs/dbraw/zinc/06/13/08/578061308.db2.gz BDUPZJRQBJVIRZ-FWEMWIAWSA-N -1 0 334.250 2.418 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000740087381 578080369 /nfs/dbraw/zinc/08/03/69/578080369.db2.gz AMRXXHKKFZEYIY-UHFFFAOYSA-N -1 0 331.240 2.454 20 5 EEBDRM O=C([O-])c1cccc(-c2nc(Cn3cnc([N+](=O)[O-])n3)cs2)c1 ZINC000740212832 578085939 /nfs/dbraw/zinc/08/59/39/578085939.db2.gz SBRNELZOHLYLLN-UHFFFAOYSA-N -1 0 331.313 2.056 20 5 EEBDRM O=Cc1ccc(OCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000740317078 578090089 /nfs/dbraw/zinc/09/00/89/578090089.db2.gz BCBASRFATOTSFF-UHFFFAOYSA-N -1 0 344.279 2.123 20 5 EEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C(C)(C)NC(=O)[O-] ZINC000736494512 578207817 /nfs/dbraw/zinc/20/78/17/578207817.db2.gz MACDFLACFOMMLE-UHFFFAOYSA-N -1 0 340.332 2.471 20 5 EEBDRM CCN(CC)C(=O)CN(C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000737080284 578236873 /nfs/dbraw/zinc/23/68/73/578236873.db2.gz ZXZJGVPFLOGYGZ-UHFFFAOYSA-N -1 0 343.767 2.251 20 5 EEBDRM CNC(=O)c1ccc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000737547456 578263695 /nfs/dbraw/zinc/26/36/95/578263695.db2.gz WSLBELHQIYEJLB-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM COc1ccc(CC(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737985071 578275452 /nfs/dbraw/zinc/27/54/52/578275452.db2.gz SIPBRHHFXSZFHA-UHFFFAOYSA-N -1 0 333.300 2.119 20 5 EEBDRM Cc1cc(COC(=O)CN(C)c2ccccc2[N+](=O)[O-])oc1C(=O)[O-] ZINC000832885486 600726033 /nfs/dbraw/zinc/72/60/33/600726033.db2.gz ONFVQUXFRHFAFA-UHFFFAOYSA-N -1 0 348.311 2.374 20 5 EEBDRM Cc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000013075190 600763995 /nfs/dbraw/zinc/76/39/95/600763995.db2.gz OVXLKYVIYFEYMW-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM C[C@@H](NC(=O)c1ccc(N2CCC(C)(C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703928 600825062 /nfs/dbraw/zinc/82/50/62/600825062.db2.gz UQDYGDJQZCGKHL-SNVBAGLBSA-N -1 0 335.360 2.034 20 5 EEBDRM CN(CC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000830683806 600848991 /nfs/dbraw/zinc/84/89/91/600848991.db2.gz KKAIRGXBEVFHCR-UHFFFAOYSA-N -1 0 329.312 2.368 20 5 EEBDRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000828790014 601309247 /nfs/dbraw/zinc/30/92/47/601309247.db2.gz HQGFCYNREAQQFD-UHFFFAOYSA-N -1 0 339.304 2.266 20 5 EEBDRM O=C([O-])CCc1nc(COc2cc([N+](=O)[O-])ccc2Cl)no1 ZINC000833241346 601347972 /nfs/dbraw/zinc/34/79/72/601347972.db2.gz IEOGHMVIAWNUMP-UHFFFAOYSA-N -1 0 327.680 2.227 20 5 EEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)OC/C=C(\C)C(=O)[O-])cc1OC ZINC000830050007 601409012 /nfs/dbraw/zinc/40/90/12/601409012.db2.gz VAIVDLGJZPRWPE-WEVVVXLNSA-N -1 0 339.300 2.190 20 5 EEBDRM CCCCC[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000829326774 601648457 /nfs/dbraw/zinc/64/84/57/601648457.db2.gz RBHLEFHHFVTIEK-CYBMUJFWSA-N -1 0 348.359 2.094 20 5 EEBDRM Cc1nc(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)sc1C ZINC000832998655 602055381 /nfs/dbraw/zinc/05/53/81/602055381.db2.gz QCRCRDDCWDMKSN-UHFFFAOYSA-N -1 0 349.368 2.339 20 5 EEBDRM C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827406511 602086079 /nfs/dbraw/zinc/08/60/79/602086079.db2.gz WNWDPEJZZQVCEA-TVQRCGJNSA-N -1 0 348.311 2.128 20 5 EEBDRM CCCNC(=O)C1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000829508260 602312283 /nfs/dbraw/zinc/31/22/83/602312283.db2.gz QBVIUNDTCWTCFF-UHFFFAOYSA-N -1 0 349.387 2.344 20 5 EEBDRM Cc1cc(N2CCC[C@H](C3OCCO3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890483 602316028 /nfs/dbraw/zinc/31/60/28/602316028.db2.gz GHOWVYUBFUOPHQ-NSHDSACASA-N -1 0 336.344 2.191 20 5 EEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000827011513 604392671 /nfs/dbraw/zinc/39/26/71/604392671.db2.gz PFIUGIZCRJTYKN-GFCCVEGCSA-N -1 0 344.751 2.198 20 5 EEBDRM CCN(CCC(=O)[O-])C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165141472 604533669 /nfs/dbraw/zinc/53/36/69/604533669.db2.gz BLQDLVKHEITXPK-UHFFFAOYSA-N -1 0 345.149 2.294 20 5 EEBDRM CC(C)COC[C@@H](O)COc1c(C(=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC000833487872 604536523 /nfs/dbraw/zinc/53/65/23/604536523.db2.gz JGDNPAMREWTWPG-SNVBAGLBSA-N -1 0 347.751 2.359 20 5 EEBDRM C[C@@H]1C[C@H](CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833598326 604837071 /nfs/dbraw/zinc/83/70/71/604837071.db2.gz VOVSAYNFQFNIRO-RKDXNWHRSA-N -1 0 339.304 2.428 20 5 EEBDRM CCc1cc(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]n1 ZINC000833670876 605036390 /nfs/dbraw/zinc/03/63/90/605036390.db2.gz DPOXZZPJMUGSMZ-UHFFFAOYSA-N -1 0 335.276 2.099 20 5 EEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)oc1C ZINC000128878732 694243768 /nfs/dbraw/zinc/24/37/68/694243768.db2.gz HJUMOSCNYOKZBP-UHFFFAOYSA-N -1 0 342.304 2.062 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000810390828 1199475956 /nfs/dbraw/zinc/47/59/56/1199475956.db2.gz XZYCFALMKDJOHC-UHFFFAOYSA-N -1 0 335.360 2.476 20 5 EEBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000778820165 1208363898 /nfs/dbraw/zinc/36/38/98/1208363898.db2.gz KGPNZHCIFRLHLY-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM COc1ncccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000078002454 1210054375 /nfs/dbraw/zinc/05/43/75/1210054375.db2.gz KASMALMKFRYSMO-UHFFFAOYSA-N -1 0 341.320 2.247 20 5 EEBDRM CC(C)c1occc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000796604983 1221621404 /nfs/dbraw/zinc/62/14/04/1221621404.db2.gz MZKUNRMLRUULFI-UHFFFAOYSA-N -1 0 338.341 2.430 20 5 EEBDRM CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886595 1277380150 /nfs/dbraw/zinc/38/01/50/1277380150.db2.gz ZQYAHMBQALSGDY-BDAKNGLRSA-N -1 0 332.353 2.221 20 5 EEBDRM CCOC(=O)c1cc([N+](=O)[O-])cc(-n2[n-]c(=O)c3cc(N)ccc32)c1 ZINC001211374699 1295852891 /nfs/dbraw/zinc/85/28/91/1295852891.db2.gz YRMVBESAGVLNNA-UHFFFAOYSA-N -1 0 342.311 2.398 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC001226021882 1301235837 /nfs/dbraw/zinc/23/58/37/1301235837.db2.gz WEVPRDSTLFIDAX-RKDXNWHRSA-N -1 0 325.321 2.225 20 5 EEBDRM CCOC(=O)C[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccccc1 ZINC001226330010 1301359979 /nfs/dbraw/zinc/35/99/79/1301359979.db2.gz OHZROGCTLUADAS-GFCCVEGCSA-N -1 0 333.300 2.164 20 5 EEBDRM CO[C@@H](C)CO[C@H](C)COc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095560 1301685322 /nfs/dbraw/zinc/68/53/22/1301685322.db2.gz RSEQZMDUERRDOY-VHSXEESVSA-N -1 0 337.332 2.062 20 5 EEBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C)c2cnn(C)c2C)cc1[O-] ZINC001228809834 1302460885 /nfs/dbraw/zinc/46/08/85/1302460885.db2.gz HYRMGVYERAIJCN-SECBINFHSA-N -1 0 335.316 2.269 20 5 EEBDRM Cc1ccc(N2CCC[C@H](Oc3nc(C)[n-]c(=O)c3[N+](=O)[O-])C2)nc1 ZINC001229379661 1302754626 /nfs/dbraw/zinc/75/46/26/1302754626.db2.gz XGYJWTVEFRPHDN-LBPRGKRZSA-N -1 0 345.359 2.150 20 5 EEBDRM CC/C=C\CCOC(=O)[C@@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229382350 1302755757 /nfs/dbraw/zinc/75/57/57/1302755757.db2.gz SFHOUZXYUMHOPO-SSJHQANKSA-N -1 0 325.321 2.066 20 5 EEBDRM O=C([O-])C[C@H](O)C(=O)Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC001230938599 1303554275 /nfs/dbraw/zinc/55/42/75/1303554275.db2.gz AGFGHMNOVITWBC-AWEZNQCLSA-N -1 0 331.280 2.003 20 5 EEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000780740340 1303695509 /nfs/dbraw/zinc/69/55/09/1303695509.db2.gz XOXXHRYVZQLXCL-VFZGTOFNSA-N -1 0 334.303 2.291 20 5 EEBDRM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2N)c([N+](=O)[O-])c1 ZINC001248483529 1310910363 /nfs/dbraw/zinc/91/03/63/1310910363.db2.gz XRKUWLGIVWXBOK-UHFFFAOYSA-N -1 0 341.320 2.126 20 5 EEBDRM C[C@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000835028567 1314894381 /nfs/dbraw/zinc/89/43/81/1314894381.db2.gz MMDVQWUYAXJOIM-HZMBPMFUSA-N -1 0 326.374 2.226 20 5 EEBDRM Cc1cc(=O)c(COC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000835313520 1314911991 /nfs/dbraw/zinc/91/19/91/1314911991.db2.gz UBWRWWULPISXBB-UHFFFAOYSA-N -1 0 345.311 2.105 20 5 EEBDRM O=C([N-]S(=O)(=O)[C@@H]1CC2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000835560914 1314928109 /nfs/dbraw/zinc/92/81/09/1314928109.db2.gz VTBHJJLHRHHLAX-QIMFLAQGSA-N -1 0 338.385 2.233 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC001601821363 1350372573 /nfs/dbraw/zinc/37/25/73/1350372573.db2.gz OAHIXTNNGQRSCY-ZNMIVQPWSA-N -1 0 332.356 2.239 20 5 EEBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc2C1 ZINC001309915721 1331647385 /nfs/dbraw/zinc/64/73/85/1331647385.db2.gz IECWUTHRSUGUAP-CQSZACIVSA-N -1 0 347.396 2.216 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001608670627 1351738516 /nfs/dbraw/zinc/73/85/16/1351738516.db2.gz NHWLBFOWWHLPBP-AWEZNQCLSA-N -1 0 336.344 2.123 20 5 EEBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cncnc1 ZINC001608735335 1351751938 /nfs/dbraw/zinc/75/19/38/1351751938.db2.gz SWXODIMRBIJFNF-UHFFFAOYSA-N -1 0 348.340 2.204 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC3(CCOCC3)O2)c1 ZINC001608915357 1351793262 /nfs/dbraw/zinc/79/32/62/1351793262.db2.gz QVJZMNDRIUXESI-LBPRGKRZSA-N -1 0 336.344 2.433 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCC3)nc2)n1 ZINC001608915761 1351793469 /nfs/dbraw/zinc/79/34/69/1351793469.db2.gz PBRBFOZAJYOFPV-UHFFFAOYSA-N -1 0 329.316 2.427 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2cc(=O)[nH]c(C3CC3)n2)c1 ZINC001608915749 1351793530 /nfs/dbraw/zinc/79/35/30/1351793530.db2.gz OIVVKDYUSFZSDX-UHFFFAOYSA-N -1 0 331.284 2.245 20 5 EEBDRM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])cc1 ZINC001320978897 1332990700 /nfs/dbraw/zinc/99/07/00/1332990700.db2.gz UEVXOCKNPJFAAB-FQEVSTJZSA-N -1 0 346.411 2.195 20 5 EEBDRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001326577658 1334118796 /nfs/dbraw/zinc/11/87/96/1334118796.db2.gz VDATYHXNBGQCPB-SECBINFHSA-N -1 0 342.323 2.227 20 5 EEBDRM CC(C)(C)C(=O)NCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001609653370 1352050813 /nfs/dbraw/zinc/05/08/13/1352050813.db2.gz ORUATUCKEUREBH-ALCCZGGFSA-N -1 0 335.360 2.267 20 5 EEBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)C(C)(C)C(=O)[O-] ZINC001609798476 1352087998 /nfs/dbraw/zinc/08/79/98/1352087998.db2.gz WHCWDWRHRWBSRR-SSDOTTSWSA-N -1 0 343.719 2.473 20 5 EEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001609833155 1352096409 /nfs/dbraw/zinc/09/64/09/1352096409.db2.gz IXKNIHPYRDMRAV-CBAPKCEASA-N -1 0 344.726 2.251 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)CSc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001609901861 1352115199 /nfs/dbraw/zinc/11/51/99/1352115199.db2.gz NNPDRWHSPCIMSC-TVQRCGJNSA-N -1 0 326.374 2.302 20 5 EEBDRM O=C(Nc1cccc(-n2cnnc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001347725684 1337519643 /nfs/dbraw/zinc/51/96/43/1337519643.db2.gz PNWLOUGERIUTPG-UHFFFAOYSA-N -1 0 325.284 2.133 20 5 EEBDRM O=C(OCc1ccc(CN2CCOCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC001350375942 1337700120 /nfs/dbraw/zinc/70/01/20/1337700120.db2.gz XSFCYZWKZSPFRO-UHFFFAOYSA-N -1 0 345.355 2.112 20 5 EEBDRM CN(Cc1ncc(Cl)n1C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610117804 1352165933 /nfs/dbraw/zinc/16/59/33/1352165933.db2.gz HFKAFZXUBZNSGP-UHFFFAOYSA-N -1 0 338.751 2.312 20 5 EEBDRM CN1CCO[C@H](CSc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001610137591 1352171880 /nfs/dbraw/zinc/17/18/80/1352171880.db2.gz SFJGTDVJIYDLPE-FHMRSRPSSA-N -1 0 338.385 2.115 20 5 EEBDRM COc1cc(OC)cc([C@@H](Oc2cccnc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001610306938 1352202682 /nfs/dbraw/zinc/20/26/82/1352202682.db2.gz NORCVGSCKBZWDA-CYBMUJFWSA-N -1 0 334.284 2.212 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001610348720 1352209196 /nfs/dbraw/zinc/20/91/96/1352209196.db2.gz FGMIVIVHPYNFCZ-UHFFFAOYSA-N -1 0 330.296 2.483 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1nc(C(=O)[O-])co1 ZINC001610515122 1352236681 /nfs/dbraw/zinc/23/66/81/1352236681.db2.gz QAKOKGYPWUKIIC-UHFFFAOYSA-N -1 0 334.288 2.220 20 5 EEBDRM Cc1cccc(N(CC(=O)[O-])C(=O)c2cc([N+](=O)[O-])cc(C)c2F)n1 ZINC001610522682 1352238161 /nfs/dbraw/zinc/23/81/61/1352238161.db2.gz GTAXGQXOOUIIBH-UHFFFAOYSA-N -1 0 347.302 2.477 20 5 EEBDRM O=C([O-])c1cc(NC(=O)C(F)(F)C2(O)CCCC2)cc([N+](=O)[O-])c1 ZINC001610814620 1352279270 /nfs/dbraw/zinc/27/92/70/1352279270.db2.gz GOZWIZWBPWXGIB-UHFFFAOYSA-N -1 0 344.270 2.172 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](O)COCC1CC1 ZINC001610817514 1352279890 /nfs/dbraw/zinc/27/98/90/1352279890.db2.gz MMUDPRORCCTVFX-SNVBAGLBSA-N -1 0 344.751 2.146 20 5 EEBDRM O=C([O-])[C@H](OC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)C1CC1 ZINC001610875625 1352289160 /nfs/dbraw/zinc/28/91/60/1352289160.db2.gz MIXZANMIRJSFBP-CYBMUJFWSA-N -1 0 331.284 2.005 20 5 EEBDRM Cc1c(NC(=O)N[C@]2(C)CCO[C@@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039145 1349960268 /nfs/dbraw/zinc/96/02/68/1349960268.db2.gz IJEQOTZSOMNDAV-RFAUZJTJSA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1c(NC(=O)N[C@H]2CCOC2(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041676 1349960595 /nfs/dbraw/zinc/96/05/95/1349960595.db2.gz SAIQVJWHORTWDB-LBPRGKRZSA-N -1 0 337.332 2.290 20 5 EEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001600219042 1349995660 /nfs/dbraw/zinc/99/56/60/1349995660.db2.gz MIIVPNIJALSRMP-SCZZXKLOSA-N -1 0 326.736 2.492 20 5 EEBDRM Cc1cc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001600272344 1350008102 /nfs/dbraw/zinc/00/81/02/1350008102.db2.gz HCTYUKQPXHKPKB-PHIMTYICSA-N -1 0 344.327 2.138 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001600304908 1350015794 /nfs/dbraw/zinc/01/57/94/1350015794.db2.gz UXOLMNRMCRMEJB-UHFFFAOYSA-N -1 0 329.312 2.269 20 5 EEBDRM Cc1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])s1 ZINC001600483571 1350062719 /nfs/dbraw/zinc/06/27/19/1350062719.db2.gz SSDUVFULRKMLRL-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001600487480 1350063239 /nfs/dbraw/zinc/06/32/39/1350063239.db2.gz XXUNRMSPWLGXSV-UHFFFAOYSA-N -1 0 344.327 2.305 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001600488028 1350063988 /nfs/dbraw/zinc/06/39/88/1350063988.db2.gz GCJDAGVAALJSAJ-SNVBAGLBSA-N -1 0 339.373 2.185 20 5 EEBDRM Cn1c2ncccc2c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)[O-] ZINC001600900661 1350162952 /nfs/dbraw/zinc/16/29/52/1350162952.db2.gz NHWKIUCENOSASZ-UHFFFAOYSA-N -1 0 340.295 2.432 20 5 EEBDRM Cn1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1C(=O)[O-] ZINC001600963095 1350177720 /nfs/dbraw/zinc/17/77/20/1350177720.db2.gz JYZARCPXUZVVAY-UHFFFAOYSA-N -1 0 342.311 2.294 20 5 EEBDRM Cn1ncc([N+](=O)[O-])c1N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001601028722 1350193980 /nfs/dbraw/zinc/19/39/80/1350193980.db2.gz IFBHUJCCKOXKMP-UHFFFAOYSA-N -1 0 345.359 2.107 20 5 EEBDRM O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccnc1 ZINC001601402898 1350275452 /nfs/dbraw/zinc/27/54/52/1350275452.db2.gz AHRXIMZGKIXEOJ-GFCCVEGCSA-N -1 0 335.703 2.199 20 5 EEBDRM O=C([O-])[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001601457977 1350288400 /nfs/dbraw/zinc/28/84/00/1350288400.db2.gz KCNWQBSAVMQXJC-CYBMUJFWSA-N -1 0 332.287 2.332 20 5 EEBDRM O=C([O-])C1=CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001601532337 1350302455 /nfs/dbraw/zinc/30/24/55/1350302455.db2.gz YGLGFVRVDLDGNV-JTQLQIEISA-N -1 0 339.735 2.221 20 5 EEBDRM O=C([O-])C1=NO[C@@]2(CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC001601746603 1350354534 /nfs/dbraw/zinc/35/45/34/1350354534.db2.gz KQJKRNFQUBCKLG-AWEZNQCLSA-N -1 0 339.735 2.054 20 5 EEBDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001602109734 1350440948 /nfs/dbraw/zinc/44/09/48/1350440948.db2.gz GIXIXWWAEDINAH-MFKMUULPSA-N -1 0 338.335 2.426 20 5 EEBDRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001602113492 1350441715 /nfs/dbraw/zinc/44/17/15/1350441715.db2.gz FHAJGNYONXOXTM-AWEZNQCLSA-N -1 0 328.324 2.411 20 5 EEBDRM O=C([O-])Cc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC001602121113 1350444235 /nfs/dbraw/zinc/44/42/35/1350444235.db2.gz CGCAZKPOCWAELR-HNNXBMFYSA-N -1 0 348.286 2.033 20 5 EEBDRM O=C([O-])Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1F ZINC001602123513 1350444764 /nfs/dbraw/zinc/44/47/64/1350444764.db2.gz ZABMCXPDYKFOOO-UHFFFAOYSA-N -1 0 348.286 2.379 20 5 EEBDRM O=C([O-])c1c(Cl)c(NCCCn2cncn2)ccc1[N+](=O)[O-] ZINC001602232808 1350471699 /nfs/dbraw/zinc/47/16/99/1350471699.db2.gz NSKUWNFVPCMLBY-UHFFFAOYSA-N -1 0 325.712 2.040 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC1=CCCC1 ZINC001602300270 1350488279 /nfs/dbraw/zinc/48/82/79/1350488279.db2.gz FFDJPEQDDONWRJ-UHFFFAOYSA-N -1 0 340.357 2.072 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CS(=O)(=O)Cc2ccccc2)c1 ZINC001602404312 1350511634 /nfs/dbraw/zinc/51/16/34/1350511634.db2.gz UUWSESNPHXJZOA-UHFFFAOYSA-N -1 0 335.337 2.408 20 5 EEBDRM CC(C)(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001603235148 1350668538 /nfs/dbraw/zinc/66/85/38/1350668538.db2.gz IDDIFAZEOGTCJO-SNVBAGLBSA-N -1 0 336.319 2.301 20 5 EEBDRM CC(C)Oc1cc(C(=O)Nc2ccnc(C(=O)[O-])n2)ccc1[N+](=O)[O-] ZINC001603934212 1350805355 /nfs/dbraw/zinc/80/53/55/1350805355.db2.gz JNVWHDPSYRTMSS-UHFFFAOYSA-N -1 0 346.299 2.123 20 5 EEBDRM C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@H](C)[S@@]1=O ZINC001604808457 1351011814 /nfs/dbraw/zinc/01/18/14/1351011814.db2.gz WYEIGLWTURMHMD-KIAZABQESA-N -1 0 346.792 2.292 20 5 EEBDRM CC[C@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H](C)C(=O)[O-] ZINC001605116499 1351080680 /nfs/dbraw/zinc/08/06/80/1351080680.db2.gz OGJYNBGHDZFKEV-KCJUWKMLSA-N -1 0 339.300 2.022 20 5 EEBDRM CC[C@@H](OC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1)C(=O)[O-] ZINC001605119679 1351081115 /nfs/dbraw/zinc/08/11/15/1351081115.db2.gz CSVMFTNOSPTTNQ-CYBMUJFWSA-N -1 0 347.327 2.168 20 5 EEBDRM COC[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC001606817986 1351359913 /nfs/dbraw/zinc/35/99/13/1351359913.db2.gz IDDBQYKQOHNJKC-FRGQNTEPSA-N -1 0 336.344 2.299 20 5 EEBDRM COc1c(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001607009339 1351396498 /nfs/dbraw/zinc/39/64/98/1351396498.db2.gz ASPXDSQBGPXSGT-MEDUHNTESA-N -1 0 336.344 2.367 20 5 EEBDRM COc1cc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc([N+](=O)[O-])c1C ZINC001607084890 1351411857 /nfs/dbraw/zinc/41/18/57/1351411857.db2.gz ACVNXISGAZLHBM-PWSUYJOCSA-N -1 0 336.344 2.285 20 5 EEBDRM COc1cc(/C=C/C(=O)[O-])ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC001607155022 1351439158 /nfs/dbraw/zinc/43/91/58/1351439158.db2.gz WVCOFTCTJMFFIC-GQCTYLIASA-N -1 0 347.327 2.285 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001607291709 1351465850 /nfs/dbraw/zinc/46/58/50/1351465850.db2.gz PWJQXWSUKKMELA-UHFFFAOYSA-N -1 0 346.299 2.018 20 5 EEBDRM COc1cccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001607304420 1351468956 /nfs/dbraw/zinc/46/89/56/1351468956.db2.gz AADCJGQMNYJKCT-BZNIZROVSA-N -1 0 336.344 2.367 20 5 EEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001607534787 1351511792 /nfs/dbraw/zinc/51/17/92/1351511792.db2.gz ULIQRDUKNDVIMW-UHFFFAOYSA-N -1 0 333.275 2.317 20 5 EEBDRM Cc1cc(C(=O)N(CCC(F)(F)F)CC(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607569251 1351517087 /nfs/dbraw/zinc/51/70/87/1351517087.db2.gz IEQCDYRTZSMDLX-UHFFFAOYSA-N -1 0 334.250 2.382 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)c1 ZINC001607825072 1351565920 /nfs/dbraw/zinc/56/59/20/1351565920.db2.gz MMQGIVVZROMHGO-QGZVFWFLSA-N -1 0 343.339 2.418 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC(C)(C)CC(=O)[O-])c1 ZINC001607825110 1351566034 /nfs/dbraw/zinc/56/60/34/1351566034.db2.gz OCLBYQMFFSJWOI-UHFFFAOYSA-N -1 0 338.360 2.289 20 5 EEBDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(F)cc1[N+](=O)[O-] ZINC001210953592 758215941 /nfs/dbraw/zinc/21/59/41/758215941.db2.gz LSVSUIVQKHZMKB-UHFFFAOYSA-N -1 0 341.320 2.126 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167936214 780999556 /nfs/dbraw/zinc/99/95/56/780999556.db2.gz IYULKMUXOQDGLX-UHFFFAOYSA-N -1 0 349.283 2.383 20 5 EEBDRM CCc1ccc([C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000804152607 785537041 /nfs/dbraw/zinc/53/70/41/785537041.db2.gz KKYMATGYNCRUAP-INIZCTEOSA-N -1 0 330.340 2.326 20 5 EEBDRM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000820517025 785951470 /nfs/dbraw/zinc/95/14/70/785951470.db2.gz ZULDZZLXCZYCAS-VHSXEESVSA-N -1 0 344.364 2.365 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](c3ccccn3)C2)n1 ZINC000844208093 788926662 /nfs/dbraw/zinc/92/66/62/788926662.db2.gz PDVHINKGQARFMR-LLVKDONJSA-N -1 0 328.328 2.385 20 5 EEBDRM COc1ccccc1OCCN(C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844208547 788927491 /nfs/dbraw/zinc/92/74/91/788927491.db2.gz QZINXFKHCQXBHD-UHFFFAOYSA-N -1 0 347.327 2.212 20 5 EEBDRM C[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000844210355 788929688 /nfs/dbraw/zinc/92/96/88/788929688.db2.gz VTUCOULPARWQNV-NSHDSACASA-N -1 0 338.360 2.423 20 5 EEBDRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151441131 788965691 /nfs/dbraw/zinc/96/56/91/788965691.db2.gz DINZNXGDFNIIKW-NSHDSACASA-N -1 0 328.390 2.020 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000261924490 794807966 /nfs/dbraw/zinc/80/79/66/794807966.db2.gz SAVSUGSMNDHMPG-NSHDSACASA-N -1 0 336.344 2.320 20 5 EEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2O)c([N+](=O)[O-])c1 ZINC000916107525 797502120 /nfs/dbraw/zinc/50/21/20/797502120.db2.gz QGFCWQCSAODHPY-UHFFFAOYSA-N -1 0 339.285 2.009 20 5 EEBDRM Cn1ccnc1[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000444674299 798434374 /nfs/dbraw/zinc/43/43/74/798434374.db2.gz KHFUZPGLDZRZOS-NSHDSACASA-N -1 0 330.344 2.054 20 5 EEBDRM Cn1cnc2c1nc(Cl)nc2Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678732 798525981 /nfs/dbraw/zinc/52/59/81/798525981.db2.gz ZRSXKLSMRYPWIH-UHFFFAOYSA-N -1 0 348.706 2.367 20 5 EEBDRM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000808337370 812604854 /nfs/dbraw/zinc/60/48/54/812604854.db2.gz HIFQMKOOEBMEBQ-SDBXPKJASA-N -1 0 340.382 2.457 20 5 EEBDRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccnc2)cc1[N+](=O)[O-] ZINC000797734345 939197452 /nfs/dbraw/zinc/19/74/52/939197452.db2.gz QVDOWDJILZUAEX-CYBMUJFWSA-N -1 0 330.300 2.246 20 5 EEBDRM CC[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC001589577461 948973335 /nfs/dbraw/zinc/97/33/35/948973335.db2.gz KJNFJSJWPBKBOH-MRVPVSSYSA-N -1 0 332.106 2.377 20 5 EEBDRM O=C([O-])c1ccccc1OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001595255908 949611029 /nfs/dbraw/zinc/61/10/29/949611029.db2.gz JJMKGJLGMJPHCV-UHFFFAOYSA-N -1 0 342.307 2.261 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001594988154 951032921 /nfs/dbraw/zinc/03/29/21/951032921.db2.gz VHJABHBOGRBAJM-TUKIKUTGSA-N -1 0 332.356 2.412 20 5 EEBDRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)O2 ZINC001594749808 953412786 /nfs/dbraw/zinc/41/27/86/953412786.db2.gz QSROECJCJNKLOH-QCIACWGRSA-N -1 0 349.343 2.129 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001589273528 953438026 /nfs/dbraw/zinc/43/80/26/953438026.db2.gz YTBHQGNGXNLGEN-UEEZHKSASA-N -1 0 332.356 2.268 20 5 EEBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@@H]1C(=O)[O-] ZINC001589359364 954147162 /nfs/dbraw/zinc/14/71/62/954147162.db2.gz GLGFLBRFKLSWFA-YGRLFVJLSA-N -1 0 347.371 2.034 20 5 EEBDRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3ccsc3[N+](=O)[O-])C2)cn1 ZINC001594538427 955601429 /nfs/dbraw/zinc/60/14/29/955601429.db2.gz QBRPUHJFJBCIDU-VHSXEESVSA-N -1 0 336.373 2.085 20 5 EEBDRM CO[C@@H](C(=O)[O-])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001593901597 955873422 /nfs/dbraw/zinc/87/34/22/955873422.db2.gz BYZOFANUBVLLSB-OAHLLOKOSA-N -1 0 344.323 2.228 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCC(C(=O)[O-])CC1 ZINC001594574596 955907530 /nfs/dbraw/zinc/90/75/30/955907530.db2.gz CBSSYPYXFYSJRQ-UHFFFAOYSA-N -1 0 336.270 2.402 20 5 EEBDRM C[C@]1(C(=O)[O-])CCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863533873 955921530 /nfs/dbraw/zinc/92/15/30/955921530.db2.gz ZOXONNTXYPIQTP-CQSZACIVSA-N -1 0 341.751 2.126 20 5 EEBDRM C[C@@H](NC(=O)C1(CC(=O)[O-])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001594199898 959240063 /nfs/dbraw/zinc/24/00/63/959240063.db2.gz GCNFREVUFAYKKW-LLVKDONJSA-N -1 0 336.344 2.044 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001588617384 959523740 /nfs/dbraw/zinc/52/37/40/959523740.db2.gz SPAVTRSFMZDANK-UHFFFAOYSA-N -1 0 334.284 2.404 20 5 EEBDRM C[C@H](OC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001573633075 959567545 /nfs/dbraw/zinc/56/75/45/959567545.db2.gz AVMRIWJHGVGOFC-JKOKRWQUSA-N -1 0 337.328 2.469 20 5 EEBDRM C[C@H](OC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001573633081 959567970 /nfs/dbraw/zinc/56/79/70/959567970.db2.gz AVMRIWJHGVGOFC-ZKYQVNSYSA-N -1 0 337.328 2.469 20 5 EEBDRM Cc1cc(NC(=O)[C@H](C(=O)[O-])C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC001574332592 960893278 /nfs/dbraw/zinc/89/32/78/960893278.db2.gz BIZHBEGUETWGGB-CQSZACIVSA-N -1 0 331.328 2.169 20 5 EEBDRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCCc1ccccc1[N+](=O)[O-] ZINC001574513868 961828900 /nfs/dbraw/zinc/82/89/00/961828900.db2.gz NHXMVJCCVNWLFP-VURMDHGXSA-N -1 0 330.296 2.258 20 5 EEBDRM CC(C)C[C@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(=O)[O-] ZINC001588899609 962250288 /nfs/dbraw/zinc/25/02/88/962250288.db2.gz VFOWYTMDXLIWNC-VIFPVBQESA-N -1 0 344.755 2.451 20 5 EEBDRM Cc1c(Br)c(NC[C@H]2C[C@H]2C(=O)[O-])ncc1[N+](=O)[O-] ZINC000715254889 977710461 /nfs/dbraw/zinc/71/04/61/977710461.db2.gz MWSSFBJJHAQJTQ-RNFRBKRXSA-N -1 0 330.138 2.193 20 5 EEBDRM CC[C@@H](COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001595183563 979818971 /nfs/dbraw/zinc/81/89/71/979818971.db2.gz RDJGQLCYRBWAPH-ZETCQYMHSA-N -1 0 333.243 2.464 20 5 EEBDRM CC[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H](C)C(=O)[O-] ZINC001595352239 980666610 /nfs/dbraw/zinc/66/66/10/980666610.db2.gz VNNZXDNCPAYOBQ-YGRLFVJLSA-N -1 0 347.327 2.437 20 5 EEBDRM CC[C@H]1CCCCN1C(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595451769 981110274 /nfs/dbraw/zinc/11/02/74/981110274.db2.gz SPKAWXSBEDOLIB-NSHDSACASA-N -1 0 336.344 2.463 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001594822145 981974075 /nfs/dbraw/zinc/97/40/75/981974075.db2.gz UFLPHJLVNROLIC-CYBMUJFWSA-N -1 0 347.730 2.343 20 5 EEBDRM CC[C@@H](C)[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001594908537 982399182 /nfs/dbraw/zinc/39/91/82/982399182.db2.gz HNCQFMUHJSJXCZ-FUXBKTLASA-N -1 0 330.287 2.031 20 5 EEBDRM CCCc1[nH]nc(C(=O)OCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001596030502 983299090 /nfs/dbraw/zinc/29/90/90/983299090.db2.gz WHNPRRJBJKGTMS-UHFFFAOYSA-N -1 0 333.300 2.326 20 5 EEBDRM CCOC1(C)CN(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001596798346 985305916 /nfs/dbraw/zinc/30/59/16/985305916.db2.gz XPGZBVNFXVDXAS-UHFFFAOYSA-N -1 0 337.332 2.244 20 5 EEBDRM C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC001599932458 985339932 /nfs/dbraw/zinc/33/99/32/985339932.db2.gz XOHCNOMGGQWSNQ-CPCISQLKSA-N -1 0 345.149 2.036 20 5 EEBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC001589461749 986912384 /nfs/dbraw/zinc/91/23/84/986912384.db2.gz GWGYQXFRDBSJQX-BMIGLBTASA-N -1 0 343.339 2.369 20 5 EEBDRM CC(C)(C)CC[C@H](CO)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001589766647 988115403 /nfs/dbraw/zinc/11/54/03/988115403.db2.gz MMFVIJQZUOEWKC-GFCCVEGCSA-N -1 0 338.360 2.210 20 5 EEBDRM COc1ccccc1[C@@H](O)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599700821 991215813 /nfs/dbraw/zinc/21/58/13/991215813.db2.gz CBFWYDBXKCCLQT-AWEZNQCLSA-N -1 0 332.312 2.447 20 5 EEBDRM COc1ccncc1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599722079 991556807 /nfs/dbraw/zinc/55/68/07/991556807.db2.gz VIYDARBSOFWREA-UHFFFAOYSA-N -1 0 333.300 2.074 20 5 EEBDRM CC(C)CN(CC(=O)[O-])C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001591294372 992245222 /nfs/dbraw/zinc/24/52/22/992245222.db2.gz KJEYRFCTAVGBDY-UHFFFAOYSA-N -1 0 326.324 2.236 20 5 EEBDRM CN(c1ccsc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598546859 992955373 /nfs/dbraw/zinc/95/53/73/992955373.db2.gz PTQDEPMQCYZLCF-UHFFFAOYSA-N -1 0 342.354 2.180 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001599621967 994096644 /nfs/dbraw/zinc/09/66/44/994096644.db2.gz HREUVHJSBRHTLH-HZRBXJLLSA-N -1 0 336.344 2.367 20 5 EEBDRM CN1Cc2ccccc2[C@@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598630338 994164323 /nfs/dbraw/zinc/16/43/23/994164323.db2.gz FESUJXPVIOSDTK-AWEZNQCLSA-N -1 0 328.328 2.287 20 5 EEBDRM CC1(C(=O)[O-])CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC001593806320 996535356 /nfs/dbraw/zinc/53/53/56/996535356.db2.gz FMIBGTLDMLLJJS-UHFFFAOYSA-N -1 0 343.339 2.480 20 5 EEBDRM CC1(C)C[C@H](Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CO1 ZINC001593859935 996653385 /nfs/dbraw/zinc/65/33/85/996653385.db2.gz PTYXVXNEIZSJHB-ZETCQYMHSA-N -1 0 325.277 2.181 20 5 EEBDRM COc1cc(CN2C[C@H](C(=O)[O-])Oc3ccccc32)ccc1[N+](=O)[O-] ZINC001599407055 997329667 /nfs/dbraw/zinc/32/96/67/997329667.db2.gz MSSAADQSCWARDO-MRXNPFEDSA-N -1 0 344.323 2.456 20 5 EEBDRM COC(=O)c1cc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccn1 ZINC001598933947 997826552 /nfs/dbraw/zinc/82/65/52/997826552.db2.gz ZZQYJQSIRFXTPW-UHFFFAOYSA-N -1 0 331.284 2.087 20 5 EEBDRM COC(=O)c1occc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599019423 998966477 /nfs/dbraw/zinc/96/64/77/998966477.db2.gz JFGMMRLSULYTBK-INIZCTEOSA-N -1 0 348.311 2.064 20 5 EEBDRM C[C@H]1CCc2[nH]nc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2C1 ZINC001594446610 999639814 /nfs/dbraw/zinc/63/98/14/999639814.db2.gz BCEMIGVOHOLJGN-QMMMGPOBSA-N -1 0 344.327 2.393 20 5 EEBDRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000236691127 242321310 /nfs/dbraw/zinc/32/13/10/242321310.db2.gz XEJHQVJELINEFP-UHFFFAOYSA-N -1 0 349.387 2.378 20 5 EEBDRM C[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000262186262 244847434 /nfs/dbraw/zinc/84/74/34/244847434.db2.gz HBFUCJPHSCYTEH-NXEZZACHSA-N -1 0 326.374 2.302 20 5 EEBDRM C[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000262186266 244847731 /nfs/dbraw/zinc/84/77/31/244847731.db2.gz HBFUCJPHSCYTEH-ZJUUUORDSA-N -1 0 326.374 2.302 20 5 EEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)CC2 ZINC000262474915 244994458 /nfs/dbraw/zinc/99/44/58/244994458.db2.gz STTYSBNZQDRPML-LLVKDONJSA-N -1 0 343.339 2.403 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000262551180 245029251 /nfs/dbraw/zinc/02/92/51/245029251.db2.gz SKRLSVHDSROBAP-WPRPVWTQSA-N -1 0 326.736 2.431 20 5 EEBDRM O=C([O-])c1cccc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000263508299 304262096 /nfs/dbraw/zinc/26/20/96/304262096.db2.gz MPWHUNSTHZKMAE-UHFFFAOYSA-N -1 0 328.328 2.015 20 5 EEBDRM O=C(c1ccc(F)cc1[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000123850906 292284466 /nfs/dbraw/zinc/28/44/66/292284466.db2.gz JEKGYEDBPFWBTH-NSHDSACASA-N -1 0 346.318 2.161 20 5 EEBDRM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000130135776 292368424 /nfs/dbraw/zinc/36/84/24/292368424.db2.gz ZFWNHLXFNGFFPW-SNAWJCMRSA-N -1 0 346.328 2.196 20 5 EEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000261665589 286772007 /nfs/dbraw/zinc/77/20/07/286772007.db2.gz LAYPAOXWDDIMRG-LLVKDONJSA-N -1 0 346.343 2.106 20 5 EEBDRM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000195078087 160205974 /nfs/dbraw/zinc/20/59/74/160205974.db2.gz UXJPBXBJHLOFAJ-UHFFFAOYSA-N -1 0 340.295 2.119 20 5 EEBDRM COc1cc(O)cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000355824028 163312648 /nfs/dbraw/zinc/31/26/48/163312648.db2.gz YFZCFTSODBZTDC-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM CSc1nc(=O)[nH]c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356291305 163395492 /nfs/dbraw/zinc/39/54/92/163395492.db2.gz HIDBYUMCRVQOSO-UHFFFAOYSA-N -1 0 336.329 2.079 20 5 EEBDRM C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356302157 163398103 /nfs/dbraw/zinc/39/81/03/163398103.db2.gz ZECPOTSLMFFVBM-RFAUZJTJSA-N -1 0 330.296 2.467 20 5 EEBDRM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000275413221 269114562 /nfs/dbraw/zinc/11/45/62/269114562.db2.gz ZZZNFSXGUHPNQA-CYBMUJFWSA-N -1 0 344.389 2.023 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCSC2(CCOCC2)C1 ZINC000274600007 274209592 /nfs/dbraw/zinc/20/95/92/274209592.db2.gz SWVQZOOCZLLTEW-UHFFFAOYSA-N -1 0 338.385 2.039 20 5 EEBDRM Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cnn1C ZINC000275218409 274229587 /nfs/dbraw/zinc/22/95/87/274229587.db2.gz BRGYZCBRDLUVLN-NHYWBVRUSA-N -1 0 346.343 2.059 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC000290451586 275208611 /nfs/dbraw/zinc/20/86/11/275208611.db2.gz DDOGIPFOBMJDFD-UHFFFAOYSA-N -1 0 336.373 2.315 20 5 EEBDRM O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000292598968 275452834 /nfs/dbraw/zinc/45/28/34/275452834.db2.gz HRFYUDDWMZVEJU-YJBOKZPZSA-N -1 0 342.351 2.196 20 5 EEBDRM CN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)ccc21 ZINC000071856908 289811942 /nfs/dbraw/zinc/81/19/42/289811942.db2.gz FOYAENWFPGPOPO-UHFFFAOYSA-N -1 0 341.323 2.462 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000294012994 293349750 /nfs/dbraw/zinc/34/97/50/293349750.db2.gz DQOFJTSHGNSKPF-HNNXBMFYSA-N -1 0 332.356 2.332 20 5 EEBDRM CCC[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000297170983 294170813 /nfs/dbraw/zinc/17/08/13/294170813.db2.gz MUEGNBMKIMLNAH-GFCCVEGCSA-N -1 0 337.376 2.404 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN2CCOc3cccc1c32 ZINC000367503006 304552956 /nfs/dbraw/zinc/55/29/56/304552956.db2.gz OFBNGPHPQMVRCU-UHFFFAOYSA-N -1 0 341.323 2.160 20 5 EEBDRM Cc1nc([C@@H]2CCCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)no1 ZINC000363798884 302624638 /nfs/dbraw/zinc/62/46/38/302624638.db2.gz JVAGXOUJUNBKLO-NSHDSACASA-N -1 0 332.316 2.359 20 5 EEBDRM CC(C)N(C)C(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436774914 314997287 /nfs/dbraw/zinc/99/72/87/314997287.db2.gz OGVQCKVJONCYIK-UHFFFAOYSA-N -1 0 349.387 2.019 20 5 EEBDRM Cc1cccc2c1OC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000436823145 315002771 /nfs/dbraw/zinc/00/27/71/315002771.db2.gz ZNDQSJOVMCPOIQ-LBPRGKRZSA-N -1 0 328.324 2.342 20 5 EEBDRM O=C(Nc1ccccc1Cn1cncn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436869139 315007789 /nfs/dbraw/zinc/00/77/89/315007789.db2.gz LPHCZOCKVMWQHO-UHFFFAOYSA-N -1 0 339.311 2.193 20 5 EEBDRM COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cccs1 ZINC000436959624 315016713 /nfs/dbraw/zinc/01/67/13/315016713.db2.gz DOYJSOJJAHGUPO-GFCCVEGCSA-N -1 0 336.325 2.006 20 5 EEBDRM COc1cc(CN(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1O ZINC000436974999 315018644 /nfs/dbraw/zinc/01/86/44/315018644.db2.gz FLYJCEHUHSMTSM-UHFFFAOYSA-N -1 0 332.312 2.287 20 5 EEBDRM COc1ccc([C@H](CO)N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436979014 315019372 /nfs/dbraw/zinc/01/93/72/315019372.db2.gz JZROQYSRMLGHCL-HNNXBMFYSA-N -1 0 346.339 2.115 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1ccccc1C(=O)[O-] ZINC000439722572 315093065 /nfs/dbraw/zinc/09/30/65/315093065.db2.gz WOEFZBZCTHNZFD-UHFFFAOYSA-N -1 0 344.323 2.161 20 5 EEBDRM CC(C)(C)CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000449134761 315421579 /nfs/dbraw/zinc/42/15/79/315421579.db2.gz LGURVILFVJANFL-ZDUSSCGKSA-N -1 0 338.360 2.369 20 5 EEBDRM Cc1nc(N2CCC(n3cc(C(=O)[O-])cn3)CC2)ccc1[N+](=O)[O-] ZINC000519777087 316824662 /nfs/dbraw/zinc/82/46/62/316824662.db2.gz RJEWAJYLYWNONG-UHFFFAOYSA-N -1 0 331.332 2.034 20 5 EEBDRM COc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000539606020 318057678 /nfs/dbraw/zinc/05/76/78/318057678.db2.gz PKKJAJCAAZDDSB-MRXNPFEDSA-N -1 0 344.323 2.088 20 5 EEBDRM CCNC(=O)c1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000544533404 318189620 /nfs/dbraw/zinc/18/96/20/318189620.db2.gz HJOVRRUTPGCHGH-UHFFFAOYSA-N -1 0 329.312 2.302 20 5 EEBDRM Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])nc2ccccc12 ZINC000548121651 318357093 /nfs/dbraw/zinc/35/70/93/318357093.db2.gz HHFWTVQJBXGVLI-UHFFFAOYSA-N -1 0 338.323 2.482 20 5 EEBDRM O=C(NCCc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000552084475 318497054 /nfs/dbraw/zinc/49/70/54/318497054.db2.gz FXQBVAHGOZKOFZ-UHFFFAOYSA-N -1 0 327.296 2.414 20 5 EEBDRM C[C@H](Cc1cnn(C)c1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563625718 319031676 /nfs/dbraw/zinc/03/16/76/319031676.db2.gz MOMJDQDGIBAPMI-MRVPVSSYSA-N -1 0 338.751 2.048 20 5 EEBDRM Cc1cn2c(n1)[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CCC2 ZINC000564214544 319072997 /nfs/dbraw/zinc/07/29/97/319072997.db2.gz PVWCECMNHXHGJM-SNVBAGLBSA-N -1 0 331.332 2.182 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)n(C)n1 ZINC000564655480 319098778 /nfs/dbraw/zinc/09/87/78/319098778.db2.gz BMJPGTJIGQJLSD-UHFFFAOYSA-N -1 0 338.389 2.254 20 5 EEBDRM CC[C@H](C)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000565831525 319218812 /nfs/dbraw/zinc/21/88/12/319218812.db2.gz VIEFEHOKCXGQBA-WPRPVWTQSA-N -1 0 344.389 2.314 20 5 EEBDRM CCO[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000570048004 319631796 /nfs/dbraw/zinc/63/17/96/319631796.db2.gz CZBAAAGFMFFITI-IIAWOOMASA-N -1 0 336.344 2.432 20 5 EEBDRM Cc1n[nH]cc1C1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000570687469 319689136 /nfs/dbraw/zinc/68/91/36/319689136.db2.gz VWKPUQLUJGWLQL-UHFFFAOYSA-N -1 0 331.332 2.104 20 5 EEBDRM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000570969795 319715016 /nfs/dbraw/zinc/71/50/16/319715016.db2.gz KOLMANAATNGOTI-GXSJLCMTSA-N -1 0 342.373 2.061 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000575127409 320089341 /nfs/dbraw/zinc/08/93/41/320089341.db2.gz HDFRAOPVEYGBBP-SNVBAGLBSA-N -1 0 331.332 2.104 20 5 EEBDRM CCC[C@@H](C)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581314537 324229440 /nfs/dbraw/zinc/22/94/40/324229440.db2.gz VMSLGBAKRQFYJW-SECBINFHSA-N -1 0 330.362 2.102 20 5 EEBDRM Cc1cc(N[C@H](C)[C@@H](C)N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582124505 324385538 /nfs/dbraw/zinc/38/55/38/324385538.db2.gz HTPPUWHKZGJMSB-VXGBXAGGSA-N -1 0 337.376 2.123 20 5 EEBDRM Cc1cc(N2CCCN(CC(F)F)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000582124581 324385767 /nfs/dbraw/zinc/38/57/67/324385767.db2.gz KRTVWJHWRJQVAC-UHFFFAOYSA-N -1 0 343.330 2.379 20 5 EEBDRM O=C([O-])c1ccnc(N2CCO[C@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000582788304 324529587 /nfs/dbraw/zinc/52/95/87/324529587.db2.gz GABIRATYWJHQEA-ZDUSSCGKSA-N -1 0 335.360 2.474 20 5 EEBDRM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000583935895 324763174 /nfs/dbraw/zinc/76/31/74/324763174.db2.gz JWHWATWNGHCOFH-LBPRGKRZSA-N -1 0 345.359 2.280 20 5 EEBDRM O=C([O-])c1cnc(N2CCO[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000583997087 324774936 /nfs/dbraw/zinc/77/49/36/324774936.db2.gz SOAQAEDCGGMFKY-CQSZACIVSA-N -1 0 347.302 2.405 20 5 EEBDRM CC(C)(CCNc1c(Br)cncc1[N+](=O)[O-])C(=O)[O-] ZINC000336810769 465046446 /nfs/dbraw/zinc/04/64/46/465046446.db2.gz JGISXUSZSPWXEE-UHFFFAOYSA-N -1 0 332.154 2.087 20 5 EEBDRM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000336862898 465056734 /nfs/dbraw/zinc/05/67/34/465056734.db2.gz AGRLCMWKSSHKHO-UHFFFAOYSA-N -1 0 340.288 2.233 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000339127062 465098770 /nfs/dbraw/zinc/09/87/70/465098770.db2.gz AUJDYEHSWNHLOU-RNCFNFMXSA-N -1 0 334.294 2.436 20 5 EEBDRM CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000063850166 462678004 /nfs/dbraw/zinc/67/80/04/462678004.db2.gz ISMSPLGIKNGQPM-UHFFFAOYSA-N -1 0 336.373 2.483 20 5 EEBDRM O=C([O-])c1cc(N2CCN(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000552498047 468330701 /nfs/dbraw/zinc/33/07/01/468330701.db2.gz NJAVTXXKGFFSCH-UHFFFAOYSA-N -1 0 342.355 2.010 20 5 EEBDRM COc1cc(C(=O)[N-]c2nncs2)c([N+](=O)[O-])cc1OC(F)F ZINC000021215717 463034370 /nfs/dbraw/zinc/03/43/70/463034370.db2.gz WRQDYCJSKXAROO-UHFFFAOYSA-N -1 0 346.271 2.309 20 5 EEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc3c2OCCO3)c1 ZINC000069708099 463307812 /nfs/dbraw/zinc/30/78/12/463307812.db2.gz KBMIYYXGIFUYSH-UHFFFAOYSA-N -1 0 336.325 2.167 20 5 EEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000055685737 463342340 /nfs/dbraw/zinc/34/23/40/463342340.db2.gz BXSJNGPVPLZVJY-UHFFFAOYSA-N -1 0 336.325 2.167 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000164816478 463633464 /nfs/dbraw/zinc/63/34/64/463633464.db2.gz HSCAAMJJEVFDEA-MRVPVSSYSA-N -1 0 334.332 2.472 20 5 EEBDRM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000059773271 463645450 /nfs/dbraw/zinc/64/54/50/463645450.db2.gz KEEICCRDZKVUDO-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000277067835 463863867 /nfs/dbraw/zinc/86/38/67/463863867.db2.gz SEUQZYRPQZPFNF-UHFFFAOYSA-N -1 0 347.293 2.010 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1[N+](=O)[O-] ZINC000269088082 463870986 /nfs/dbraw/zinc/87/09/86/463870986.db2.gz NEZBEJDXWVLXFS-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172183408 464010669 /nfs/dbraw/zinc/01/06/69/464010669.db2.gz AQNKXWQUKODMPX-UHFFFAOYSA-N -1 0 349.368 2.111 20 5 EEBDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000263209944 464063086 /nfs/dbraw/zinc/06/30/86/464063086.db2.gz LIUMLYMQXGYSTM-JTQLQIEISA-N -1 0 332.316 2.008 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000292709994 464315261 /nfs/dbraw/zinc/31/52/61/464315261.db2.gz YCDIMCYKGZFEJJ-DZGCQCFKSA-N -1 0 332.356 2.474 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)cc1C ZINC000180758368 464388143 /nfs/dbraw/zinc/38/81/43/464388143.db2.gz ARRJTGNDZVXKCV-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C([O-])[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000238104123 464432591 /nfs/dbraw/zinc/43/25/91/464432591.db2.gz NFDFHGNXHUFWSR-JTQLQIEISA-N -1 0 347.352 2.265 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc3ccccn3n2)c1 ZINC000568893783 468403635 /nfs/dbraw/zinc/40/36/35/468403635.db2.gz RAMGOPKLVGODKI-UHFFFAOYSA-N -1 0 346.368 2.660 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](OCc2ccncc2)C1 ZINC000182020779 464552486 /nfs/dbraw/zinc/55/24/86/464552486.db2.gz DDRNOYVDDGXBJS-AWEZNQCLSA-N -1 0 343.339 2.127 20 5 EEBDRM CN([C@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281741534 464566880 /nfs/dbraw/zinc/56/68/80/464566880.db2.gz FBTZZOJLLHADLH-LLVKDONJSA-N -1 0 344.389 2.105 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](OCc2ccccn2)C1 ZINC000272471843 464622770 /nfs/dbraw/zinc/62/27/70/464622770.db2.gz ZKOQZWWMFVKJBK-CQSZACIVSA-N -1 0 343.339 2.127 20 5 EEBDRM CC(C)(C)c1nc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])no1 ZINC000182942879 464762455 /nfs/dbraw/zinc/76/24/55/464762455.db2.gz CAOUCBXADWHIMM-UHFFFAOYSA-N -1 0 344.324 2.215 20 5 EEBDRM O=[N+]([O-])c1ccc(-c2noc([N-][C@H]3c4ccccc4C[C@@H]3O)n2)cc1 ZINC000359467892 465410540 /nfs/dbraw/zinc/41/05/40/465410540.db2.gz SKDGUYJHADMONT-GJZGRUSLSA-N -1 0 338.323 2.715 20 5 EEBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000318045566 466585101 /nfs/dbraw/zinc/58/51/01/466585101.db2.gz DVVMIHOOQOKQDM-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000390426578 467408136 /nfs/dbraw/zinc/40/81/36/467408136.db2.gz QSBCMLNKAVIKJX-JTQLQIEISA-N -1 0 344.389 2.085 20 5 EEBDRM C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C(=O)[O-] ZINC000431506108 467520823 /nfs/dbraw/zinc/52/08/23/467520823.db2.gz FPKXCQUNGVGHCE-MRVPVSSYSA-N -1 0 328.299 2.023 20 5 EEBDRM O=C(NCc1nccn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436708243 467551594 /nfs/dbraw/zinc/55/15/94/467551594.db2.gz ITDNCDJPLQYXGZ-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C(NCc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1[O-] ZINC000436794243 467554526 /nfs/dbraw/zinc/55/45/26/467554526.db2.gz UOHDLOFUBFAGHB-UHFFFAOYSA-N -1 0 330.296 2.002 20 5 EEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000492530418 467665560 /nfs/dbraw/zinc/66/55/60/467665560.db2.gz HXBLQLMVEDXMFK-RFAOOOJCSA-N -1 0 330.340 2.321 20 5 EEBDRM COc1cccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1[N+](=O)[O-] ZINC000450505275 467861597 /nfs/dbraw/zinc/86/15/97/467861597.db2.gz CDCFZSUBIBZYLZ-UHFFFAOYSA-N -1 0 348.311 2.475 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2COc3ccccc32)n1 ZINC000566293511 468148962 /nfs/dbraw/zinc/14/89/62/468148962.db2.gz VRMLQFJGLHUCGQ-JTQLQIEISA-N -1 0 329.312 2.585 20 5 EEBDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000549730448 468194152 /nfs/dbraw/zinc/19/41/52/468194152.db2.gz IEZJYXYGDSYJDD-UHFFFAOYSA-N -1 0 329.272 2.239 20 5 EEBDRM CCCn1ccnc1CCCN(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582910468 468616106 /nfs/dbraw/zinc/61/61/06/468616106.db2.gz KINPHISHXKBTQA-UHFFFAOYSA-N -1 0 347.375 2.364 20 5 EEBDRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594597567 468631018 /nfs/dbraw/zinc/63/10/18/468631018.db2.gz OBVNMOJSMHMNPL-ZIAGYGMSSA-N -1 0 336.344 2.371 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n1 ZINC000583027388 468632998 /nfs/dbraw/zinc/63/29/98/468632998.db2.gz MMIVXMLHEHHKJE-ZWKOPEQDSA-N -1 0 333.344 2.366 20 5 EEBDRM C[C@H]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000592135448 468633179 /nfs/dbraw/zinc/63/31/79/468633179.db2.gz UGJSEANVKNAKNF-UWVGGRQHSA-N -1 0 342.373 2.150 20 5 EEBDRM CC[C@H](C)CCNS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000594719957 468663629 /nfs/dbraw/zinc/66/36/29/468663629.db2.gz LTADNGUHAYZOGQ-VIFPVBQESA-N -1 0 344.389 2.316 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@H](OC)C(C)C ZINC000592353936 468681071 /nfs/dbraw/zinc/68/10/71/468681071.db2.gz UCLWGZLATIOCIK-ZDUSSCGKSA-N -1 0 331.394 2.049 20 5 EEBDRM Cc1sc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1C(=O)[O-] ZINC000583443392 468698143 /nfs/dbraw/zinc/69/81/43/468698143.db2.gz LGCNNWJJGYKHQL-VIFPVBQESA-N -1 0 349.372 2.144 20 5 EEBDRM Cc1cc(=NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C)c[nH]1 ZINC000570916858 468712434 /nfs/dbraw/zinc/71/24/34/468712434.db2.gz VPHRJQIAWDTWAO-UHFFFAOYSA-N -1 0 335.385 2.446 20 5 EEBDRM CC[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000592952535 468826814 /nfs/dbraw/zinc/82/68/14/468826814.db2.gz IUOHBTAMHYMSOT-ZETCQYMHSA-N -1 0 334.250 2.454 20 5 EEBDRM CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000571767097 468836722 /nfs/dbraw/zinc/83/67/22/468836722.db2.gz UKLJREMVEWRIQE-SNVBAGLBSA-N -1 0 344.389 2.396 20 5 EEBDRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598734919 468979048 /nfs/dbraw/zinc/97/90/48/468979048.db2.gz QXVHJKNMBCVYOK-UHFFFAOYSA-N -1 0 336.373 2.419 20 5 EEBDRM O=[N+]([O-])c1ccccc1NCCN=c1nc(C2CCOCC2)[n-]s1 ZINC000596063806 469135922 /nfs/dbraw/zinc/13/59/22/469135922.db2.gz SXDDOIXSGMVMES-UHFFFAOYSA-N -1 0 349.416 2.286 20 5 EEBDRM O=c1[nH]ccc(N2CCC(O)(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000596197684 469197432 /nfs/dbraw/zinc/19/74/32/469197432.db2.gz UVERAWSKAQQPGJ-UHFFFAOYSA-N -1 0 347.346 2.409 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCOC[C@@H](C3CCC3)C2)n1 ZINC000563210379 469199877 /nfs/dbraw/zinc/19/98/77/469199877.db2.gz ZLBKPUYYYNFSHE-LBPRGKRZSA-N -1 0 335.360 2.249 20 5 EEBDRM CNc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000574029416 469247591 /nfs/dbraw/zinc/24/75/91/469247591.db2.gz WRGQCYNISIYWIC-NEPJUHHUSA-N -1 0 335.360 2.400 20 5 EEBDRM CC(C)(C)C(=O)N1CCC(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000611554089 469277294 /nfs/dbraw/zinc/27/72/94/469277294.db2.gz NPIMBLIRZLDZMV-UHFFFAOYSA-N -1 0 349.387 2.067 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000618023556 469875786 /nfs/dbraw/zinc/87/57/86/469875786.db2.gz DFLUNVARACPNEE-YUMQZZPRSA-N -1 0 328.346 2.137 20 5 EEBDRM COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000609316640 469916312 /nfs/dbraw/zinc/91/63/12/469916312.db2.gz UUNSITSPOWBDKE-UHFFFAOYSA-N -1 0 342.307 2.243 20 5 EEBDRM COc1c(C)cnc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1C ZINC000738071564 577998217 /nfs/dbraw/zinc/99/82/17/577998217.db2.gz PPXWWQLJGXYXBD-UHFFFAOYSA-N -1 0 332.316 2.321 20 5 EEBDRM CCc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000738391936 576364320 /nfs/dbraw/zinc/36/43/20/576364320.db2.gz QMMNIYYNJDLUIE-UHFFFAOYSA-N -1 0 344.780 2.012 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000734738138 577323684 /nfs/dbraw/zinc/32/36/84/577323684.db2.gz YZIKXSOXWWHOAV-SNVBAGLBSA-N -1 0 328.390 2.390 20 5 EEBDRM O=C(OCc1cccc(N2CCCC2=O)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000774643163 577408376 /nfs/dbraw/zinc/40/83/76/577408376.db2.gz LJCRVRXVIHUERC-UHFFFAOYSA-N -1 0 329.312 2.407 20 5 EEBDRM C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000769299971 577574557 /nfs/dbraw/zinc/57/45/57/577574557.db2.gz UYLODFJPMRSTAG-RKDXNWHRSA-N -1 0 332.403 2.288 20 5 EEBDRM COc1ccc(CSCC(=O)[N-]OCC(F)F)cc1[N+](=O)[O-] ZINC000760141279 577657616 /nfs/dbraw/zinc/65/76/16/577657616.db2.gz LQPFMUJMQQKSIC-UHFFFAOYSA-N -1 0 336.316 2.150 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000750691312 577741271 /nfs/dbraw/zinc/74/12/71/577741271.db2.gz YXLUYPMBDHYSCB-VIFPVBQESA-N -1 0 344.364 2.365 20 5 EEBDRM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000753702406 577791948 /nfs/dbraw/zinc/79/19/48/577791948.db2.gz IQLHWQFTNFAWBC-UHFFFAOYSA-N -1 0 333.256 2.226 20 5 EEBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000753952966 577797299 /nfs/dbraw/zinc/79/72/99/577797299.db2.gz DOSOBXQEHTZJII-UHFFFAOYSA-N -1 0 331.353 2.141 20 5 EEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738641408 578022604 /nfs/dbraw/zinc/02/26/04/578022604.db2.gz RFHFWEMNWGHWIO-UHFFFAOYSA-N -1 0 333.300 2.102 20 5 EEBDRM Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000738660134 578023094 /nfs/dbraw/zinc/02/30/94/578023094.db2.gz IDJAVXVQJYOSPS-UHFFFAOYSA-N -1 0 343.338 2.431 20 5 EEBDRM CCN1C(=O)N[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)C(C(=O)[O-])=C1C ZINC000737111710 578238536 /nfs/dbraw/zinc/23/85/36/578238536.db2.gz NFDGYSFHUKGWOQ-LBPRGKRZSA-N -1 0 341.270 2.318 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000737247879 578246234 /nfs/dbraw/zinc/24/62/34/578246234.db2.gz SNEMGTJWWAQZPT-UHFFFAOYSA-N -1 0 338.707 2.484 20 5 EEBDRM CNC(=O)c1cccc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000737553243 578263753 /nfs/dbraw/zinc/26/37/53/578263753.db2.gz XKUIHCMGMQAMQP-UHFFFAOYSA-N -1 0 330.296 2.232 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000821515300 597513020 /nfs/dbraw/zinc/51/30/20/597513020.db2.gz DYVVESGPGZFCQG-JTQLQIEISA-N -1 0 331.328 2.403 20 5 EEBDRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000819633730 598206271 /nfs/dbraw/zinc/20/62/71/598206271.db2.gz JXMDKHMOWRXGNJ-VIFPVBQESA-N -1 0 345.258 2.277 20 5 EEBDRM C[C@H](CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000237594659 599919203 /nfs/dbraw/zinc/91/92/03/599919203.db2.gz SKLDRYJHCKLPNG-LLVKDONJSA-N -1 0 335.360 2.109 20 5 EEBDRM O=C([O-])CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000833245046 601141671 /nfs/dbraw/zinc/14/16/71/601141671.db2.gz JMBZGJOJYNBXBC-UHFFFAOYSA-N -1 0 332.287 2.394 20 5 EEBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000833323910 601257672 /nfs/dbraw/zinc/25/76/72/601257672.db2.gz BEXZQRLPIKBFBR-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM Nc1c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cccc1[N+](=O)[O-] ZINC000833090255 601283958 /nfs/dbraw/zinc/28/39/58/601283958.db2.gz VNSIFXKTTLESNT-UHFFFAOYSA-N -1 0 327.296 2.031 20 5 EEBDRM CCOc1cc(C(=O)OC/C=C(\C)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000830038779 601409019 /nfs/dbraw/zinc/40/90/19/601409019.db2.gz SUMXIKDWRDHPKX-WEVVVXLNSA-N -1 0 339.300 2.190 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCCc3[nH]ccc32)cc([N+](=O)[O-])c1 ZINC000833296470 601429589 /nfs/dbraw/zinc/42/95/89/601429589.db2.gz XHWAJNUGMZNUCX-CQSZACIVSA-N -1 0 329.312 2.429 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000833025022 602014189 /nfs/dbraw/zinc/01/41/89/602014189.db2.gz COFQQEVXKMUEML-UHFFFAOYSA-N -1 0 338.247 2.273 20 5 EEBDRM Cc1nc(NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833002837 602130590 /nfs/dbraw/zinc/13/05/90/602130590.db2.gz HJILKZVYGGTLME-LBPRGKRZSA-N -1 0 331.328 2.359 20 5 EEBDRM Cc1nc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000833001981 602398273 /nfs/dbraw/zinc/39/82/73/602398273.db2.gz GXMULHWMBDBMDI-UHFFFAOYSA-N -1 0 346.255 2.157 20 5 EEBDRM CCC(=O)N1CC[C@@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000828563395 604272424 /nfs/dbraw/zinc/27/24/24/604272424.db2.gz YWPKHYYMRYSHMD-MRVPVSSYSA-N -1 0 341.751 2.369 20 5 EEBDRM COc1ccc(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC000832336317 604812332 /nfs/dbraw/zinc/81/23/32/604812332.db2.gz PYDHOMWGSXHHCS-UHFFFAOYSA-N -1 0 348.286 2.371 20 5 EEBDRM O=C([O-])c1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000833112081 604850560 /nfs/dbraw/zinc/85/05/60/604850560.db2.gz ROYOGUQGHOCPEW-UHFFFAOYSA-N -1 0 347.254 2.472 20 5 EEBDRM C[C@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CCCC[C@H]1C(=O)[O-] ZINC000833568737 604894941 /nfs/dbraw/zinc/89/49/41/604894941.db2.gz BMWKVBOVCVPURT-BBRMVZONSA-N -1 0 336.344 2.123 20 5 EEBDRM CC(=O)N1CC[C@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H](C)C1 ZINC000833393232 605062151 /nfs/dbraw/zinc/06/21/51/605062151.db2.gz HYAPLFCDDCZDQJ-HZMBPMFUSA-N -1 0 335.360 2.270 20 5 EEBDRM CC(C)(C)C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000833426654 605233590 /nfs/dbraw/zinc/23/35/90/605233590.db2.gz HSUDJDOCTFBDSP-GFCCVEGCSA-N -1 0 325.317 2.406 20 5 EEBDRM CC(C)(C)[C@H]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833426486 605382665 /nfs/dbraw/zinc/38/26/65/605382665.db2.gz UWJOOYIZRZHNSF-LBPRGKRZSA-N -1 0 349.387 2.282 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccnc2C)cc([N+](=O)[O-])c1C ZINC000178315391 676818136 /nfs/dbraw/zinc/81/81/36/676818136.db2.gz NYDRQGJXXMVRBP-UHFFFAOYSA-N -1 0 349.368 2.034 20 5 EEBDRM O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000162301647 683956918 /nfs/dbraw/zinc/95/69/18/683956918.db2.gz GLIWUHDJTFJPON-ZDUSSCGKSA-N -1 0 336.731 2.417 20 5 EEBDRM CCC(=CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)CC ZINC000151446408 684068158 /nfs/dbraw/zinc/06/81/58/684068158.db2.gz FPRFCIIXIYQWLX-UHFFFAOYSA-N -1 0 340.401 2.330 20 5 EEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000263330389 689706210 /nfs/dbraw/zinc/70/62/10/689706210.db2.gz LJOMXQXHAJBTPB-JQWIXIFHSA-N -1 0 347.371 2.352 20 5 EEBDRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000133176877 1248861191 /nfs/dbraw/zinc/86/11/91/1248861191.db2.gz YOBYOYPKOPLNND-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120028912 1229655638 /nfs/dbraw/zinc/65/56/38/1229655638.db2.gz ZXOQQRQJSGHUPH-UHFFFAOYSA-N -1 0 329.359 2.169 20 5 EEBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc3c2OCO3)ccc1F ZINC000800831958 1234641094 /nfs/dbraw/zinc/64/10/94/1234641094.db2.gz RIXZVCRXPVLVEL-UHFFFAOYSA-N -1 0 340.288 2.263 20 5 EEBDRM C[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853986308 1292569522 /nfs/dbraw/zinc/56/95/22/1292569522.db2.gz CXIZCVMJZGEGHM-SCZZXKLOSA-N -1 0 346.309 2.070 20 5 EEBDRM O=C([N-][C@H](CCO)C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000854617184 1292888251 /nfs/dbraw/zinc/88/82/51/1292888251.db2.gz HGHVJIWJFNRBBF-SECBINFHSA-N -1 0 342.220 2.116 20 5 EEBDRM Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000115924954 1294038961 /nfs/dbraw/zinc/03/89/61/1294038961.db2.gz ZIQLVNUBDRDKMO-UHFFFAOYSA-N -1 0 334.353 2.330 20 5 EEBDRM O=C([O-])C[C@@H](O)C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001226384966 1301389674 /nfs/dbraw/zinc/38/96/74/1301389674.db2.gz DKUHYKHWZGPRLQ-CYBMUJFWSA-N -1 0 331.280 2.003 20 5 EEBDRM CCCC/C=C/[C@@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226649023 1301493623 /nfs/dbraw/zinc/49/36/23/1301493623.db2.gz IPQBUTDEIDTYOV-FCZSHJHJSA-N -1 0 325.321 2.391 20 5 EEBDRM O=c1nc(OC[C@H]2COc3cscc3O2)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231077256 1303613586 /nfs/dbraw/zinc/61/35/86/1303613586.db2.gz TXZJZVBVTBAOPI-RXMQYKEDSA-N -1 0 345.720 2.024 20 5 EEBDRM CCOC(=O)N1CCC(Oc2[n-]c(C)cc(=O)c2[N+](=O)[O-])CC1 ZINC001231259218 1303707242 /nfs/dbraw/zinc/70/72/42/1303707242.db2.gz HQJQOLZOPGMEMT-UHFFFAOYSA-N -1 0 325.321 2.004 20 5 EEBDRM O=C(Oc1ccc2c(c1)NC(=O)CC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000781135658 1303744648 /nfs/dbraw/zinc/74/46/48/1303744648.db2.gz ASBAPNAUJVPUDN-UHFFFAOYSA-N -1 0 328.280 2.404 20 5 EEBDRM O=C([O-])c1cc(NCc2ccc(-n3ccnc3)nc2)ccc1[N+](=O)[O-] ZINC000836513197 1315001405 /nfs/dbraw/zinc/00/14/05/1315001405.db2.gz ZJEHORCWDHRTIV-UHFFFAOYSA-N -1 0 339.311 2.486 20 5 EEBDRM C[C@@H](NC(=O)C1CCCC1)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837445289 1315082807 /nfs/dbraw/zinc/08/28/07/1315082807.db2.gz UZFUEBLTKPPCFY-SNVBAGLBSA-N -1 0 336.344 2.039 20 5 EEBDRM O=C1[N-]C(=O)[C@H](Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])S1 ZINC001163662045 1321184531 /nfs/dbraw/zinc/18/45/31/1321184531.db2.gz JICSPTYEHHONHV-CYBMUJFWSA-N -1 0 330.325 2.378 20 5 EEBDRM COC(=O)c1ccc(N)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1OC ZINC001210398481 1325265267 /nfs/dbraw/zinc/26/52/67/1325265267.db2.gz ZTCFDBIKCDJFPD-UHFFFAOYSA-N -1 0 333.300 2.421 20 5 EEBDRM O=C([O-])c1c(Cl)c(NC[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001602233746 1350472060 /nfs/dbraw/zinc/47/20/60/1350472060.db2.gz HVPYZBWXYKOXFJ-ZCFIWIBFSA-N -1 0 328.630 2.282 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)n1 ZINC001607709755 1351543974 /nfs/dbraw/zinc/54/39/74/1351543974.db2.gz NQZBNGFVZXOEDE-ZDUSSCGKSA-N -1 0 347.302 2.383 20 5 EEBDRM Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC001607727312 1351547417 /nfs/dbraw/zinc/54/74/17/1351547417.db2.gz APLZSALRORRCMO-QGZVFWFLSA-N -1 0 344.323 2.339 20 5 EEBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001608272230 1351660093 /nfs/dbraw/zinc/66/00/93/1351660093.db2.gz UNMASHXPMQNBIE-UHFFFAOYSA-N -1 0 348.340 2.461 20 5 EEBDRM O=C([O-])[C@H](CCF)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001608317481 1351669628 /nfs/dbraw/zinc/66/96/28/1351669628.db2.gz CKQAILUUKJLMPG-NSHDSACASA-N -1 0 332.715 2.110 20 5 EEBDRM O=C([O-])[C@H]1[C@H](O)CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001608595438 1351722065 /nfs/dbraw/zinc/72/20/65/1351722065.db2.gz OBTWJCQSQWWLRG-GDBMZVCRSA-N -1 0 346.339 2.265 20 5 EEBDRM O=C([O-])CCN(C[C@H]1CCCO1)c1c(F)cc([N+](=O)[O-])cc1F ZINC001608721216 1351749276 /nfs/dbraw/zinc/74/92/76/1351749276.db2.gz CUCKIGKRFYRZHY-SNVBAGLBSA-N -1 0 330.287 2.333 20 5 EEBDRM O=C([O-])c1c(Cl)c(N2C[C@H](O)CC(F)(F)C2)ccc1[N+](=O)[O-] ZINC001608830305 1351773547 /nfs/dbraw/zinc/77/35/47/1351773547.db2.gz JNQBPKRNIGFGHM-ZCFIWIBFSA-N -1 0 336.678 2.153 20 5 EEBDRM O=C([O-])c1cc(C(=O)NCC2(C(F)(F)F)CC2)cc([N+](=O)[O-])c1 ZINC001608837633 1351775381 /nfs/dbraw/zinc/77/53/81/1351775381.db2.gz YXFQLZGWUYSYJG-UHFFFAOYSA-N -1 0 332.234 2.365 20 5 EEBDRM O=C([O-])c1coc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC001608987675 1351808787 /nfs/dbraw/zinc/80/87/87/1351808787.db2.gz FUDAJLOLGOCUEU-UHFFFAOYSA-N -1 0 332.224 2.384 20 5 EEBDRM O=C(COC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(O)cc1O ZINC001321666078 1333140341 /nfs/dbraw/zinc/14/03/41/1333140341.db2.gz ASKWLFXUSXUHOP-UHFFFAOYSA-N -1 0 335.243 2.185 20 5 EEBDRM CC[C@H](C)n1ncc([N-]c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1C ZINC001609187536 1351881892 /nfs/dbraw/zinc/88/18/92/1351881892.db2.gz HRAQNOWINMPZJP-QMMMGPOBSA-N -1 0 343.351 2.389 20 5 EEBDRM CC(C)(C(=O)[O-])C(=O)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001609648120 1352049614 /nfs/dbraw/zinc/04/96/14/1352049614.db2.gz OEBRGBPQEPDMPK-UHFFFAOYSA-N -1 0 337.328 2.096 20 5 EEBDRM CC(C)(NC(=O)c1cncc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001609680213 1352057299 /nfs/dbraw/zinc/05/72/99/1352057299.db2.gz YVZHFICNBLHQMH-UHFFFAOYSA-N -1 0 329.312 2.353 20 5 EEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609773908 1352082052 /nfs/dbraw/zinc/08/20/52/1352082052.db2.gz ZOGLNWSFRHLOBF-JQWIXIFHSA-N -1 0 332.312 2.250 20 5 EEBDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC001337475562 1336706710 /nfs/dbraw/zinc/70/67/10/1336706710.db2.gz CXLMBJRWVWDULA-UHFFFAOYSA-N -1 0 336.316 2.175 20 5 EEBDRM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC001609875120 1352109028 /nfs/dbraw/zinc/10/90/28/1352109028.db2.gz RWVLHNRPCNMQJO-QPUJVOFHSA-N -1 0 348.277 2.445 20 5 EEBDRM COCCCCN(C)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001610256487 1352195019 /nfs/dbraw/zinc/19/50/19/1352195019.db2.gz RBWBBWPPLMYULC-UHFFFAOYSA-N -1 0 327.293 2.064 20 5 EEBDRM COc1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1[N+](=O)[O-] ZINC001610334806 1352207178 /nfs/dbraw/zinc/20/71/78/1352207178.db2.gz ZVXXBBPGANCBGR-UHFFFAOYSA-N -1 0 348.355 2.255 20 5 EEBDRM CSCCCNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001610382014 1352213877 /nfs/dbraw/zinc/21/38/77/1352213877.db2.gz KPOCKDOGPRWZKH-UHFFFAOYSA-N -1 0 327.362 2.476 20 5 EEBDRM Cc1c(NC(=O)NCc2cccnc2F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610423940 1352220362 /nfs/dbraw/zinc/22/03/62/1352220362.db2.gz PVXLJICPZFFZKL-UHFFFAOYSA-N -1 0 348.290 2.457 20 5 EEBDRM Cc1cc(NCCNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])n(C)n1 ZINC001610475003 1352229060 /nfs/dbraw/zinc/22/90/60/1352229060.db2.gz JMXINDIJFRANOE-UHFFFAOYSA-N -1 0 333.348 2.167 20 5 EEBDRM Cc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(=O)[O-])cc1C ZINC001610494643 1352232681 /nfs/dbraw/zinc/23/26/81/1352232681.db2.gz DAMQZOAGDWRKAB-HNNXBMFYSA-N -1 0 343.339 2.350 20 5 EEBDRM Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C(=O)[O-])cc1C ZINC001610495412 1352233180 /nfs/dbraw/zinc/23/31/80/1352233180.db2.gz PSDDEUSCTPHURY-CQSZACIVSA-N -1 0 329.312 2.162 20 5 EEBDRM Cc1ccc(OC[C@H](O)COc2cccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001610512204 1352236300 /nfs/dbraw/zinc/23/63/00/1352236300.db2.gz ZORVWNAXSODQDV-LBPRGKRZSA-N -1 0 347.323 2.420 20 5 EEBDRM Cc1ncc2c(n1)CC[C@@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC001610563638 1352245632 /nfs/dbraw/zinc/24/56/32/1352245632.db2.gz AJZHPJFAWDUMSI-GFCCVEGCSA-N -1 0 328.328 2.361 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001610802221 1352277178 /nfs/dbraw/zinc/27/71/78/1352277178.db2.gz RYIPUPMQCSBYKE-GJZGRUSLSA-N -1 0 341.323 2.420 20 5 EEBDRM Cc1ccc2ccccc2c1Cn1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1 ZINC001592206506 1349609306 /nfs/dbraw/zinc/60/93/06/1349609306.db2.gz KKIIXWAHHBXOGR-UHFFFAOYSA-N -1 0 335.327 2.481 20 5 EEBDRM Cc1c(CNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cccc1[N+](=O)[O-] ZINC001600011478 1349955109 /nfs/dbraw/zinc/95/51/09/1349955109.db2.gz FWIQXLPOZYGGTL-SYQHCUMBSA-N -1 0 347.371 2.202 20 5 EEBDRM Cc1c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cnn1CC(=O)[O-] ZINC001600046480 1349961530 /nfs/dbraw/zinc/96/15/30/1349961530.db2.gz YBVZMOBUHMUEOX-UHFFFAOYSA-N -1 0 338.707 2.090 20 5 EEBDRM Cc1cc(N2CCO[C@]3(CCSC3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600242556 1350000348 /nfs/dbraw/zinc/00/03/48/1350000348.db2.gz VTHBVKBENQDKAF-OAHLLOKOSA-N -1 0 338.385 2.314 20 5 EEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccoc1CC(=O)[O-])CC2 ZINC001600307814 1350016789 /nfs/dbraw/zinc/01/67/89/1350016789.db2.gz UNQLLGQRFPTNJV-UHFFFAOYSA-N -1 0 330.296 2.326 20 5 EEBDRM Cc1cccc(CCCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001600530128 1350074442 /nfs/dbraw/zinc/07/44/42/1350074442.db2.gz QQPVVKIJNKQPPH-UHFFFAOYSA-N -1 0 343.339 2.359 20 5 EEBDRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001600641211 1350104210 /nfs/dbraw/zinc/10/42/10/1350104210.db2.gz RLNZICDKBZMYEH-UHFFFAOYSA-N -1 0 330.296 2.326 20 5 EEBDRM Cc1nc(N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)ncc1[N+](=O)[O-] ZINC001600710182 1350119359 /nfs/dbraw/zinc/11/93/59/1350119359.db2.gz NFTRDTSHDBDJLK-SECBINFHSA-N -1 0 349.372 2.232 20 5 EEBDRM NC(=O)Nc1ccc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001601155953 1350222026 /nfs/dbraw/zinc/22/20/26/1350222026.db2.gz KXWMENSQVFEYSF-UHFFFAOYSA-N -1 0 330.300 2.396 20 5 EEBDRM Nc1c(Cl)cc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001601211269 1350232223 /nfs/dbraw/zinc/23/22/23/1350232223.db2.gz OMAWBZDDROHQQS-SNVBAGLBSA-N -1 0 341.751 2.300 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001601217537 1350234090 /nfs/dbraw/zinc/23/40/90/1350234090.db2.gz NCTPNTYMVWOAHE-ZDUSSCGKSA-N -1 0 348.286 2.169 20 5 EEBDRM O=C([O-])[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001601349426 1350263308 /nfs/dbraw/zinc/26/33/08/1350263308.db2.gz FVAGZICXONHJSR-CQSZACIVSA-N -1 0 347.352 2.024 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001601359849 1350265969 /nfs/dbraw/zinc/26/59/69/1350265969.db2.gz WBHUHQQBMPSHMY-BMIGLBTASA-N -1 0 338.747 2.256 20 5 EEBDRM O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)CCS2 ZINC001601446966 1350285058 /nfs/dbraw/zinc/28/50/58/1350285058.db2.gz ZREUMHARBNEABO-ZYTOWTHASA-N -1 0 340.357 2.047 20 5 EEBDRM O=C([O-])C1=CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC001601739235 1350351781 /nfs/dbraw/zinc/35/17/81/1350351781.db2.gz FNRLEEKVQMAYPA-LBPRGKRZSA-N -1 0 345.355 2.416 20 5 EEBDRM O=C([O-])C1=NOC2(C1)CCN(c1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC001601744995 1350353668 /nfs/dbraw/zinc/35/36/68/1350353668.db2.gz USFMHUOXWAWYEF-UHFFFAOYSA-N -1 0 339.735 2.448 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001601824659 1350372973 /nfs/dbraw/zinc/37/29/73/1350372973.db2.gz CRUMCKBTDBSZGN-ZCFIWIBFSA-N -1 0 333.127 2.448 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H]2C[C@H](Nc3ncnc4cccc([N+](=O)[O-])c43)[C@@H]2C1 ZINC001601863331 1350384439 /nfs/dbraw/zinc/38/44/39/1350384439.db2.gz CSUJYEHSJPABOC-KLBPJQLPSA-N -1 0 328.328 2.449 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccncc1 ZINC001601899434 1350392621 /nfs/dbraw/zinc/39/26/21/1350392621.db2.gz DOBRGQAPZKZYKF-ZDUSSCGKSA-N -1 0 347.302 2.004 20 5 EEBDRM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(c2ncc([N+](=O)[O-])s2)C1 ZINC001602218391 1350468832 /nfs/dbraw/zinc/46/88/32/1350468832.db2.gz PTDTZSNIKPIGON-NTSWFWBYSA-N -1 0 325.268 2.141 20 5 EEBDRM O=C([O-])c1cc(CNc2ncnc3ccc([N+](=O)[O-])cc32)ccn1 ZINC001602262224 1350481014 /nfs/dbraw/zinc/48/10/14/1350481014.db2.gz KXGLTXTYCUJURD-UHFFFAOYSA-N -1 0 325.284 2.243 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCOCC1CCC1 ZINC001602299383 1350488176 /nfs/dbraw/zinc/48/81/76/1350488176.db2.gz IDZMZLMXHJTYMG-UHFFFAOYSA-N -1 0 339.304 2.430 20 5 EEBDRM O=C([O-])c1ccc(F)c(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1 ZINC001602364668 1350504382 /nfs/dbraw/zinc/50/43/82/1350504382.db2.gz NMVKHJORIRALBP-UHFFFAOYSA-N -1 0 343.270 2.190 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)c2ncc3c(F)cccn32)cc1[N+](=O)[O-] ZINC001602386980 1350508134 /nfs/dbraw/zinc/50/81/34/1350508134.db2.gz SIIDVIZUWDAUDN-UHFFFAOYSA-N -1 0 345.242 2.299 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(COC(=O)[C@H]2CC23CCOCC3)c1 ZINC001602403881 1350511526 /nfs/dbraw/zinc/51/15/26/1350511526.db2.gz PWILDCGPSUNIPX-GFCCVEGCSA-N -1 0 335.312 2.153 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OS(=O)(=O)CCCC2CC2)c1 ZINC001602407945 1350512917 /nfs/dbraw/zinc/51/29/17/1350512917.db2.gz KAVXVAIOBUVTEY-UHFFFAOYSA-N -1 0 329.330 2.192 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC1CCC1 ZINC001602409349 1350512931 /nfs/dbraw/zinc/51/29/31/1350512931.db2.gz VYDXYDILHRCORY-UHFFFAOYSA-N -1 0 342.373 2.152 20 5 EEBDRM O=C([O-])c1cnc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC001602528173 1350539374 /nfs/dbraw/zinc/53/93/74/1350539374.db2.gz JYYAVNVQONIOHO-VHSXEESVSA-N -1 0 333.325 2.492 20 5 EEBDRM O=C([O-])c1cnc(NC[C@@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])c1 ZINC001602530474 1350539811 /nfs/dbraw/zinc/53/98/11/1350539811.db2.gz PYGNZKDDJSJBTA-IONNQARKSA-N -1 0 335.238 2.210 20 5 EEBDRM O=C([O-])c1cncc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC001602538814 1350541930 /nfs/dbraw/zinc/54/19/30/1350541930.db2.gz CIOLDJHPLHBXSI-UHFFFAOYSA-N -1 0 326.268 2.422 20 5 EEBDRM CC(C)(C)C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)[O-] ZINC001603326499 1350687517 /nfs/dbraw/zinc/68/75/17/1350687517.db2.gz BNRSBXMJGJSUDA-LBPRGKRZSA-N -1 0 339.300 2.370 20 5 EEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(CC(=O)[O-])CC1 ZINC001604431236 1350936905 /nfs/dbraw/zinc/93/69/05/1350936905.db2.gz NUBIAUIIZSYXMN-MRVPVSSYSA-N -1 0 342.735 2.139 20 5 EEBDRM CNc1c(C(=O)Nc2cccc(C(=O)[O-])c2N)cccc1[N+](=O)[O-] ZINC001606309557 1351291428 /nfs/dbraw/zinc/29/14/28/1351291428.db2.gz ZYMPPMPYUCZZKO-UHFFFAOYSA-N -1 0 330.300 2.169 20 5 EEBDRM CO[C@@H]1COCC[C@@H]1N(C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606767928 1351354303 /nfs/dbraw/zinc/35/43/03/1351354303.db2.gz AAQVWCWVRYTPGA-GXFFZTMASA-N -1 0 344.751 2.187 20 5 EEBDRM CON(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H](C)CC(=O)[O-] ZINC001606987004 1351392829 /nfs/dbraw/zinc/39/28/29/1351392829.db2.gz FDIDUQIYXSKHSD-VIFPVBQESA-N -1 0 337.332 2.036 20 5 EEBDRM COc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC001607205350 1351448971 /nfs/dbraw/zinc/44/89/71/1351448971.db2.gz GTRAFNGQMPCMRV-GFCCVEGCSA-N -1 0 336.344 2.367 20 5 EEBDRM COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CC=C(C(=O)[O-])C3)c2c1 ZINC001607302437 1351468624 /nfs/dbraw/zinc/46/86/24/1351468624.db2.gz HQDAPPQKBCGBBO-SNVBAGLBSA-N -1 0 329.312 2.159 20 5 EEBDRM Cc1c(NC(=O)N[C@H]2COC3(CCC3)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607543417 1351513476 /nfs/dbraw/zinc/51/34/76/1351513476.db2.gz XXOZIFNCMRXGNU-LLVKDONJSA-N -1 0 349.343 2.435 20 5 EEBDRM Cc1cc(C(=O)NC(C)(C)c2nocc2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607574024 1351517778 /nfs/dbraw/zinc/51/77/78/1351517778.db2.gz FSACPGNECNTTEI-UHFFFAOYSA-N -1 0 333.300 2.255 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1C(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001608035670 1351610939 /nfs/dbraw/zinc/61/09/39/1351610939.db2.gz AZFNHKNCGURIQU-UHFFFAOYSA-N -1 0 348.311 2.488 20 5 EEBDRM O=S(=O)([N-]c1cccc2nc3ccccc3nc12)c1c[nH]cn1 ZINC001187762410 1368266680 /nfs/dbraw/zinc/26/66/80/1368266680.db2.gz MJTNZAHYZPGDER-UHFFFAOYSA-N -1 0 325.353 2.307 20 5 EEBDRM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000835154273 1372597104 /nfs/dbraw/zinc/59/71/04/1372597104.db2.gz AYNVNFVQDWIUKP-PRHODGIISA-N -1 0 332.403 2.288 20 5 EEBDRM CCc1ccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000804157806 785593682 /nfs/dbraw/zinc/59/36/82/785593682.db2.gz FYOWLPBOEZSFBC-INIZCTEOSA-N -1 0 330.340 2.326 20 5 EEBDRM CCc1ccc([C@@H](O)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000804158701 785601340 /nfs/dbraw/zinc/60/13/40/785601340.db2.gz BNZBWCORFRJDCM-HNNXBMFYSA-N -1 0 330.340 2.326 20 5 EEBDRM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000819935654 785731226 /nfs/dbraw/zinc/73/12/26/785731226.db2.gz ULZAHIOMVSUFMS-WDEREUQCSA-N -1 0 326.374 2.226 20 5 EEBDRM O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000821058181 786580678 /nfs/dbraw/zinc/58/06/78/786580678.db2.gz ZKZIUQPXIRUQLL-UHFFFAOYSA-N -1 0 343.251 2.005 20 5 EEBDRM CCO[C@@H]1COCC[C@@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210144 788927402 /nfs/dbraw/zinc/92/74/02/788927402.db2.gz PLXPWMRGTAFHNV-MVOUDAGVSA-N -1 0 336.344 2.299 20 5 EEBDRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000845436881 789775629 /nfs/dbraw/zinc/77/56/29/789775629.db2.gz NKZVRLAGIOUUBT-UHFFFAOYSA-N -1 0 344.389 2.235 20 5 EEBDRM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000173638879 791889110 /nfs/dbraw/zinc/88/91/10/791889110.db2.gz OFLKNFMVDAUYAO-UHFFFAOYSA-N -1 0 347.805 2.492 20 5 EEBDRM COCCOc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)ccn1 ZINC001174504274 797784844 /nfs/dbraw/zinc/78/48/44/797784844.db2.gz IVPRWBZFSXUAHT-UHFFFAOYSA-N -1 0 333.300 2.457 20 5 EEBDRM CN(C)C(=O)c1cccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1O ZINC001174505302 797784937 /nfs/dbraw/zinc/78/49/37/797784937.db2.gz AKZXQEADIYKPMJ-UHFFFAOYSA-N -1 0 345.311 2.444 20 5 EEBDRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000131940478 798513326 /nfs/dbraw/zinc/51/33/26/798513326.db2.gz JMIZNYGUIRGMIE-UHFFFAOYSA-N -1 0 332.353 2.365 20 5 EEBDRM Nc1ccccc1-c1ncn(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001176681135 798526109 /nfs/dbraw/zinc/52/61/09/798526109.db2.gz WREVDBOVBPSPMD-UHFFFAOYSA-N -1 0 325.284 2.123 20 5 EEBDRM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000324039582 939125761 /nfs/dbraw/zinc/12/57/61/939125761.db2.gz QYYRKCBHUVTVKM-AWEZNQCLSA-N -1 0 330.296 2.159 20 5 EEBDRM COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000345987785 939128360 /nfs/dbraw/zinc/12/83/60/939128360.db2.gz WQAQRMINDTXQAR-AWEZNQCLSA-N -1 0 330.296 2.159 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC001600487691 970815400 /nfs/dbraw/zinc/81/54/00/970815400.db2.gz LICKRQHUXUWYJD-UHFFFAOYSA-N -1 0 345.311 2.404 20 5 EEBDRM O=C([O-])c1ccc(Cn2cc([N+](=O)[O-])nc2Br)cc1 ZINC001595233277 949367154 /nfs/dbraw/zinc/36/71/54/949367154.db2.gz GZMXEVOPDMSFSP-UHFFFAOYSA-N -1 0 326.106 2.300 20 5 EEBDRM O=C([O-])c1ccc(F)c(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001595236177 949408187 /nfs/dbraw/zinc/40/81/87/949408187.db2.gz PNUAVEGSJLMAJW-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC001595002235 951145477 /nfs/dbraw/zinc/14/54/77/951145477.db2.gz GCSXCMDFEUUIIG-JSGCOSHPSA-N -1 0 348.355 2.144 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC001589271706 953414204 /nfs/dbraw/zinc/41/42/04/953414204.db2.gz FKNFGSUVZCLOBP-ZJUUUORDSA-N -1 0 331.328 2.259 20 5 EEBDRM Cc1cccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(=O)[O-])c1 ZINC001594399398 958828696 /nfs/dbraw/zinc/82/86/96/958828696.db2.gz OBIXOKNFIAIISW-AWEZNQCLSA-N -1 0 329.312 2.041 20 5 EEBDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001594216512 959336747 /nfs/dbraw/zinc/33/67/47/959336747.db2.gz YRJMFATWDFYHGL-ZWNOBZJWSA-N -1 0 346.343 2.472 20 5 EEBDRM C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C(=O)[O-] ZINC001573727858 960422602 /nfs/dbraw/zinc/42/26/02/960422602.db2.gz ZYASBVJCBVIUHN-QMTHXVAHSA-N -1 0 345.355 2.188 20 5 EEBDRM Cc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC001574332590 960894062 /nfs/dbraw/zinc/89/40/62/960894062.db2.gz BIZHBEGUETWGGB-AWEZNQCLSA-N -1 0 331.328 2.169 20 5 EEBDRM Cc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC001574375073 961088227 /nfs/dbraw/zinc/08/82/27/961088227.db2.gz JIUUPEZPFXPIMW-QWHCGFSZSA-N -1 0 333.344 2.478 20 5 EEBDRM COC[C@]1(C(=O)[O-])CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001574140491 962568100 /nfs/dbraw/zinc/56/81/00/962568100.db2.gz GRCCQTWRIGSUJO-INIZCTEOSA-N -1 0 331.328 2.071 20 5 EEBDRM Cc1cc(Cl)c(C(=O)N(CC(=O)[O-])CC2CC2)cc1[N+](=O)[O-] ZINC001605171097 972872263 /nfs/dbraw/zinc/87/22/63/972872263.db2.gz NWNSMVFTTCMQFG-UHFFFAOYSA-N -1 0 326.736 2.493 20 5 EEBDRM O=C([O-])Cn1ccc(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)n1 ZINC001606348992 973787035 /nfs/dbraw/zinc/78/70/35/973787035.db2.gz ZKRBAZAJFBMXJJ-UHFFFAOYSA-N -1 0 340.295 2.281 20 5 EEBDRM CCn1c(=O)c2cc3ccccc3cc2nc1SCC(=O)C(=O)[O-] ZINC001604006964 974512394 /nfs/dbraw/zinc/51/23/94/974512394.db2.gz WESOBQULJXVMCL-UHFFFAOYSA-N -1 0 342.376 2.315 20 5 EEBDRM CC[C@@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](C)C(=O)[O-] ZINC001595353627 980683755 /nfs/dbraw/zinc/68/37/55/980683755.db2.gz TWTLWJSDPXWWAY-IINYFYTJSA-N -1 0 347.327 2.437 20 5 EEBDRM CCC1=C(C(=O)[O-])[C@@H](c2c(C)ccc([N+](=O)[O-])c2C)NC(=S)N1 ZINC001595399421 980971655 /nfs/dbraw/zinc/97/16/55/980971655.db2.gz OMVYCOUERVNSPV-CYBMUJFWSA-N -1 0 335.385 2.479 20 5 EEBDRM CCCC[C@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001595635300 981901368 /nfs/dbraw/zinc/90/13/68/981901368.db2.gz LQFAJAKRNVFIGM-LBPRGKRZSA-N -1 0 338.360 2.432 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001594821462 981970846 /nfs/dbraw/zinc/97/08/46/981970846.db2.gz AQXLFPZDMWOZNO-ZDUSSCGKSA-N -1 0 329.740 2.204 20 5 EEBDRM CCCCC[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001595672350 982133153 /nfs/dbraw/zinc/13/31/53/982133153.db2.gz JZWFQPXNVSHPOU-LBPRGKRZSA-N -1 0 326.324 2.426 20 5 EEBDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001116491616 982931865 /nfs/dbraw/zinc/93/18/65/982931865.db2.gz VJCWRVGIZNZNTK-AWEZNQCLSA-N -1 0 343.339 2.431 20 5 EEBDRM CC(C)(C)[C@H](NCc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC001573817854 983122445 /nfs/dbraw/zinc/12/24/45/983122445.db2.gz LRBNOZIXPVTKEA-GFCCVEGCSA-N -1 0 334.332 2.234 20 5 EEBDRM CCOC(=O)[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001596577039 984488200 /nfs/dbraw/zinc/48/82/00/984488200.db2.gz XTVSVEKVKNASOE-NSHDSACASA-N -1 0 336.344 2.381 20 5 EEBDRM CCOC[C@H](C(=O)[O-])N(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001596883610 985756824 /nfs/dbraw/zinc/75/68/24/985756824.db2.gz FNJWVTHPDCIQTB-CQSZACIVSA-N -1 0 340.376 2.304 20 5 EEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC[S@](=O)C1 ZINC001594575812 986413949 /nfs/dbraw/zinc/41/39/49/986413949.db2.gz OQTRMGGVOTWXPU-ZCAPAMDOSA-N -1 0 346.792 2.151 20 5 EEBDRM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001589378264 986441784 /nfs/dbraw/zinc/44/17/84/986441784.db2.gz GQBMTHJAFPFKTJ-DIFFPNOSSA-N -1 0 343.339 2.210 20 5 EEBDRM C[C@@](O)(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001599883111 989511335 /nfs/dbraw/zinc/51/13/35/989511335.db2.gz XSORFOWBAZNEGX-INIZCTEOSA-N -1 0 330.296 2.139 20 5 EEBDRM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001597899427 989770062 /nfs/dbraw/zinc/77/00/62/989770062.db2.gz KKAKFQOJHYHVLT-UHFFFAOYSA-N -1 0 340.242 2.040 20 5 EEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598088311 990425425 /nfs/dbraw/zinc/42/54/25/990425425.db2.gz MGETWAAHIDHPNM-CQSZACIVSA-N -1 0 329.312 2.075 20 5 EEBDRM CC(C)=CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001590922055 990917081 /nfs/dbraw/zinc/91/70/81/990917081.db2.gz RUQLASIQEMVEND-UHFFFAOYSA-N -1 0 349.343 2.012 20 5 EEBDRM COc1ccccc1C[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-] ZINC001599708115 991324008 /nfs/dbraw/zinc/32/40/08/991324008.db2.gz VRHKWQJGOGJAOH-LBPRGKRZSA-N -1 0 348.359 2.001 20 5 EEBDRM CC(C)C1(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001591067814 991517697 /nfs/dbraw/zinc/51/76/97/991517697.db2.gz LVOICNZDNIUTQW-UHFFFAOYSA-N -1 0 329.330 2.190 20 5 EEBDRM CN(CCc1nccs1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001598504029 992476319 /nfs/dbraw/zinc/47/63/19/992476319.db2.gz ONOKYDRLHHJDHC-UHFFFAOYSA-N -1 0 335.341 2.064 20 5 EEBDRM CC(C)N(CCC(=O)[O-])C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001591575965 992788099 /nfs/dbraw/zinc/78/80/99/992788099.db2.gz VFIRDEMJLXRASQ-UHFFFAOYSA-N -1 0 336.344 2.269 20 5 EEBDRM COc1cccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC001599641516 994366193 /nfs/dbraw/zinc/36/61/93/994366193.db2.gz QYDVKPDKRONSPK-KRWDZBQOSA-N -1 0 344.323 2.333 20 5 EEBDRM C[C@](NCc1c(F)cncc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593285762 994639125 /nfs/dbraw/zinc/63/91/25/994639125.db2.gz IWJNRWBRQNSPDP-OAHLLOKOSA-N -1 0 337.282 2.358 20 5 EEBDRM C[C@@](NCc1cn(C2CCC2)nn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593310833 994775811 /nfs/dbraw/zinc/77/58/11/994775811.db2.gz LQDBZMQXLKBPRM-INIZCTEOSA-N -1 0 345.359 2.001 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C(=O)[O-])C1CC1 ZINC001593667552 996058558 /nfs/dbraw/zinc/05/85/58/996058558.db2.gz PXFMGURTNZMBDL-UFBFGSQYSA-N -1 0 325.342 2.482 20 5 EEBDRM CC1(C)C(NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1(C)C ZINC001593836312 996591712 /nfs/dbraw/zinc/59/17/12/996591712.db2.gz WYOSERGJWBIEIM-UHFFFAOYSA-N -1 0 342.373 2.006 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)/C=C/C(=O)[O-])cc1SC ZINC001599462448 998297575 /nfs/dbraw/zinc/29/75/75/998297575.db2.gz TYXJQMFSXPSVPB-WTSVBCDHSA-N -1 0 340.357 2.084 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC001594170402 998654132 /nfs/dbraw/zinc/65/41/32/998654132.db2.gz DDPXVCPFENCATP-YPMHNXCESA-N -1 0 347.371 2.130 20 5 EEBDRM COC(=O)c1cnc(NCCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001599009231 998882960 /nfs/dbraw/zinc/88/29/60/998882960.db2.gz IVXAYLIEGJSSNY-UHFFFAOYSA-N -1 0 345.311 2.129 20 5 EEBDRM COC(C)(C)CN(C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599032770 999062639 /nfs/dbraw/zinc/06/26/39/999062639.db2.gz HXJJGFXDDIYZPV-UHFFFAOYSA-N -1 0 339.348 2.490 20 5 EEBDRM C[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](C(=O)[O-])C1 ZINC001594406639 999523384 /nfs/dbraw/zinc/52/33/84/999523384.db2.gz BJGAMRQJNORSEO-XPTSAGLGSA-N -1 0 331.328 2.401 20 5 EEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)n2)cc1[N+](=O)[O-] ZINC000446960610 242233087 /nfs/dbraw/zinc/23/30/87/242233087.db2.gz ZRIKIEVGFDBAAX-UHFFFAOYSA-N -1 0 337.357 2.416 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOC3(CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000262179260 244843111 /nfs/dbraw/zinc/84/31/11/244843111.db2.gz RHNVCSNFMXTVRE-UHFFFAOYSA-N -1 0 334.328 2.078 20 5 EEBDRM O=C([O-])CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000262606810 245061048 /nfs/dbraw/zinc/06/10/48/245061048.db2.gz KQVZVMWNUUJCEG-UHFFFAOYSA-N -1 0 349.112 2.091 20 5 EEBDRM C[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C(=O)[O-])C1 ZINC000263105944 245329972 /nfs/dbraw/zinc/32/99/72/245329972.db2.gz UJTQYLVOFKYORT-ZUZCIYMTSA-N -1 0 345.355 2.330 20 5 EEBDRM CN(c1cc(F)ccc1F)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000078466653 217056583 /nfs/dbraw/zinc/05/65/83/217056583.db2.gz LEXBNPMTROZJDJ-UHFFFAOYSA-N -1 0 344.295 2.404 20 5 EEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccsc1 ZINC000492133884 246319277 /nfs/dbraw/zinc/31/92/77/246319277.db2.gz JJLISOXFZSABMQ-UTCJRWHESA-N -1 0 338.366 2.175 20 5 EEBDRM CCOC(=O)c1ccnc([N-]c2ccn(CCCOC)n2)c1[N+](=O)[O-] ZINC000266272902 248215598 /nfs/dbraw/zinc/21/55/98/248215598.db2.gz RNRBSKCVMCFHFE-UHFFFAOYSA-N -1 0 349.347 2.143 20 5 EEBDRM O=C([O-])c1cccc2c1N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000369215036 304266074 /nfs/dbraw/zinc/26/60/74/304266074.db2.gz NIQCRUYUBVUPTH-UHFFFAOYSA-N -1 0 348.336 2.044 20 5 EEBDRM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000270919757 256187686 /nfs/dbraw/zinc/18/76/86/256187686.db2.gz VDCNKXRROPCPCM-UHFFFAOYSA-N -1 0 338.360 2.493 20 5 EEBDRM O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119081216 221239835 /nfs/dbraw/zinc/23/98/35/221239835.db2.gz VIUIUKQEWGAHDI-UHFFFAOYSA-N -1 0 332.316 2.170 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000352904360 143665277 /nfs/dbraw/zinc/66/52/77/143665277.db2.gz YCGXMIVEAXMRGK-UHFFFAOYSA-N -1 0 328.375 2.149 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCCC[C@H]1c1ncon1 ZINC000182098268 143857380 /nfs/dbraw/zinc/85/73/80/143857380.db2.gz MNAXAFFJOPXHHI-LBPRGKRZSA-N -1 0 332.316 2.441 20 5 EEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(=O)[O-] ZINC000262532355 152288882 /nfs/dbraw/zinc/28/88/82/152288882.db2.gz PUMTUTCGMSDJRJ-WCBMZHEXSA-N -1 0 326.736 2.431 20 5 EEBDRM CN(Cc1nc2ccccc2n1C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130491001 292374157 /nfs/dbraw/zinc/37/41/57/292374157.db2.gz ISWZFIZWUZTDPT-UHFFFAOYSA-N -1 0 340.339 2.459 20 5 EEBDRM CC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000075942082 159078097 /nfs/dbraw/zinc/07/80/97/159078097.db2.gz BXUKTMYLVLSTES-UHFFFAOYSA-N -1 0 329.312 2.189 20 5 EEBDRM CCC(CC)(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000342530055 161071972 /nfs/dbraw/zinc/07/19/72/161071972.db2.gz QRWBVANZCNZIKA-UHFFFAOYSA-N -1 0 347.327 2.222 20 5 EEBDRM O=C([O-])CSCc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000345870471 161338709 /nfs/dbraw/zinc/33/87/09/161338709.db2.gz RVDVQTVATZLSLE-UHFFFAOYSA-N -1 0 335.341 2.493 20 5 EEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236940714 287583283 /nfs/dbraw/zinc/58/32/83/287583283.db2.gz WGVWVOIEOWJXBE-NSHDSACASA-N -1 0 346.343 2.106 20 5 EEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCCC(=O)[O-] ZINC000274948847 269078562 /nfs/dbraw/zinc/07/85/62/269078562.db2.gz HOVQTAUAADUMIO-JTQLQIEISA-N -1 0 344.389 2.079 20 5 EEBDRM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274958308 269079380 /nfs/dbraw/zinc/07/93/80/269079380.db2.gz BEXAKJASDGFLKH-RNCFNFMXSA-N -1 0 344.389 2.023 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC000274965282 269080109 /nfs/dbraw/zinc/08/01/09/269080109.db2.gz IBJVDMVFHBUWAZ-LBPRGKRZSA-N -1 0 344.389 2.071 20 5 EEBDRM CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274975149 269081123 /nfs/dbraw/zinc/08/11/23/269081123.db2.gz JDJYCULTKPTBCN-SNVBAGLBSA-N -1 0 344.389 2.153 20 5 EEBDRM O=C([O-])CCCCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000275288558 274235456 /nfs/dbraw/zinc/23/54/56/274235456.db2.gz PBBZYUQHXVBLQM-UHFFFAOYSA-N -1 0 344.389 2.298 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC000290550573 275217346 /nfs/dbraw/zinc/21/73/46/275217346.db2.gz QLWPAYFUYJPGKL-UHFFFAOYSA-N -1 0 336.373 2.315 20 5 EEBDRM CC(C)N(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262841646 279404780 /nfs/dbraw/zinc/40/47/80/279404780.db2.gz URWLYFRRWITIRH-VIFPVBQESA-N -1 0 344.751 2.337 20 5 EEBDRM COc1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262829977 295097547 /nfs/dbraw/zinc/09/75/47/295097547.db2.gz QGGADHATRBOIDU-BZNIZROVSA-N -1 0 336.344 2.367 20 5 EEBDRM C[C@@]1(C(=O)[O-])CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000235432603 297883074 /nfs/dbraw/zinc/88/30/74/297883074.db2.gz KLFZREQINBOJDJ-LLVKDONJSA-N -1 0 330.138 2.053 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000321505648 311596673 /nfs/dbraw/zinc/59/66/73/311596673.db2.gz ZVPHEOCTUKOFFD-GFCCVEGCSA-N -1 0 334.250 2.447 20 5 EEBDRM Cc1sc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000331553063 311870794 /nfs/dbraw/zinc/87/07/94/311870794.db2.gz GYCROFMBYVBAQM-MRVPVSSYSA-N -1 0 337.361 2.156 20 5 EEBDRM CN(CCC(=O)[O-])c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000416428049 313221023 /nfs/dbraw/zinc/22/10/23/313221023.db2.gz OXQMQLCDTDZAPB-UHFFFAOYSA-N -1 0 331.328 2.480 20 5 EEBDRM COC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccsc1 ZINC000436824016 315002369 /nfs/dbraw/zinc/00/23/69/315002369.db2.gz FEJKBRNCVJZMAQ-LBPRGKRZSA-N -1 0 336.325 2.006 20 5 EEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(NC(N)=O)cc1 ZINC000436868831 315007959 /nfs/dbraw/zinc/00/79/59/315007959.db2.gz KPBRZMIBRLUBKO-SECBINFHSA-N -1 0 344.327 2.282 20 5 EEBDRM O=C(NCc1cc(F)cc2c1OCOC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436963243 315017385 /nfs/dbraw/zinc/01/73/85/315017385.db2.gz PEHKJBOMWDTCDR-UHFFFAOYSA-N -1 0 348.286 2.236 20 5 EEBDRM CCc1ccc([C@H](CO)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436975880 315018661 /nfs/dbraw/zinc/01/86/61/315018661.db2.gz AGIBYCQQTQCYCX-AWEZNQCLSA-N -1 0 330.340 2.326 20 5 EEBDRM C[C@H]1C[C@@H](CO)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000517374634 316664511 /nfs/dbraw/zinc/66/45/11/316664511.db2.gz KMDJMFVHSIKOKP-DTWKUNHWSA-N -1 0 328.752 2.044 20 5 EEBDRM O=[N+]([O-])c1ncccc1S(=O)(=O)NCCOC1CCCCCC1 ZINC000525702104 317069025 /nfs/dbraw/zinc/06/90/25/317069025.db2.gz FLHSEPIIUPVOCQ-UHFFFAOYSA-N -1 0 343.405 2.008 20 5 EEBDRM CCn1nc(C)c(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC000532251676 317850781 /nfs/dbraw/zinc/85/07/81/317850781.db2.gz SAYQZAVUPDLTQX-UHFFFAOYSA-N -1 0 346.343 2.056 20 5 EEBDRM O=C([O-])c1cc(N2CCC(O[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000563813536 319045963 /nfs/dbraw/zinc/04/59/63/319045963.db2.gz NNSQQEHUFMDSPL-ZDUSSCGKSA-N -1 0 336.344 2.067 20 5 EEBDRM CCCOc1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cn1 ZINC000564571256 319092033 /nfs/dbraw/zinc/09/20/33/319092033.db2.gz DQUDYFIXBZKMNI-UHFFFAOYSA-N -1 0 332.316 2.484 20 5 EEBDRM CCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000566179529 319256874 /nfs/dbraw/zinc/25/68/74/319256874.db2.gz QAZMVBGLJFKZIG-UHFFFAOYSA-N -1 0 330.362 2.022 20 5 EEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@@H]2CCC[C@@H]21 ZINC000568093864 319453424 /nfs/dbraw/zinc/45/34/24/319453424.db2.gz QAOYGZLBVLGLAW-CMPLNLGQSA-N -1 0 326.736 2.347 20 5 EEBDRM O=C([O-])c1ccnc(N2C[C@@H](O)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000576351412 320164372 /nfs/dbraw/zinc/16/43/72/320164372.db2.gz XQCRLONHWQNUKF-AAEUAGOBSA-N -1 0 329.312 2.000 20 5 EEBDRM CNc1ccc(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc1[N+](=O)[O-] ZINC000580992132 324163974 /nfs/dbraw/zinc/16/39/74/324163974.db2.gz OPYTXFSGVSAIQB-MRXNPFEDSA-N -1 0 335.360 2.209 20 5 EEBDRM CC(=O)c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000045298861 462575386 /nfs/dbraw/zinc/57/53/86/462575386.db2.gz LWRVATPMLUVQNE-UHFFFAOYSA-N -1 0 336.325 2.304 20 5 EEBDRM CCn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000069421081 463244757 /nfs/dbraw/zinc/24/47/57/463244757.db2.gz GOIITCBLBMVREC-UHFFFAOYSA-N -1 0 330.753 2.265 20 5 EEBDRM O=C(NCc1ccnc(N2CCCC2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269105752 463876579 /nfs/dbraw/zinc/87/65/79/463876579.db2.gz BKSWOPSKUIJHRQ-UHFFFAOYSA-N -1 0 342.355 2.226 20 5 EEBDRM CC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000186050544 463928486 /nfs/dbraw/zinc/92/84/86/463928486.db2.gz IOEFIOLMHIAYGO-VIFPVBQESA-N -1 0 341.751 2.151 20 5 EEBDRM CC(C)(C)Cc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000194871861 463946350 /nfs/dbraw/zinc/94/63/50/463946350.db2.gz RXHQWFCCZDPSSM-UHFFFAOYSA-N -1 0 340.361 2.367 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000262734205 464040366 /nfs/dbraw/zinc/04/03/66/464040366.db2.gz VCBGYNPGSVUIDS-GARJFASQSA-N -1 0 338.385 2.445 20 5 EEBDRM COc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000263552256 464127925 /nfs/dbraw/zinc/12/79/25/464127925.db2.gz XBAHAKZQLGQJJI-WBIUFABUSA-N -1 0 348.355 2.237 20 5 EEBDRM CC(=O)Nc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000179480875 464142383 /nfs/dbraw/zinc/14/23/83/464142383.db2.gz PPVYFUDFOYRGKA-UHFFFAOYSA-N -1 0 343.339 2.231 20 5 EEBDRM O=C(NC[C@H]1COC2(CCCCC2)O1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000271839321 464393439 /nfs/dbraw/zinc/39/34/39/464393439.db2.gz QJTBTFZFVRFTGA-LBPRGKRZSA-N -1 0 336.344 2.106 20 5 EEBDRM O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000237971696 464413916 /nfs/dbraw/zinc/41/39/16/464413916.db2.gz MLNXCOHROCLAAW-AUECHBEKSA-N -1 0 340.335 2.420 20 5 EEBDRM O=C([O-])CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000238092907 464431372 /nfs/dbraw/zinc/43/13/72/464431372.db2.gz DLADMWDTFYCEID-UHFFFAOYSA-N -1 0 347.352 2.408 20 5 EEBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccon1 ZINC000181065431 464440018 /nfs/dbraw/zinc/44/00/18/464440018.db2.gz DRZCFIKUVAVYBN-UHFFFAOYSA-N -1 0 348.134 2.146 20 5 EEBDRM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000182083453 464567855 /nfs/dbraw/zinc/56/78/55/464567855.db2.gz VBPWLRQGIVMMIE-FNIMQGLVSA-N -1 0 340.401 2.110 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000182083490 464568142 /nfs/dbraw/zinc/56/81/42/464568142.db2.gz VBPWLRQGIVMMIE-MRTUKWCHSA-N -1 0 340.401 2.110 20 5 EEBDRM O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272408153 464596294 /nfs/dbraw/zinc/59/62/94/464596294.db2.gz OFVNKXPZIVJHFJ-BONVTDFDSA-N -1 0 338.385 2.085 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC000182942382 464762429 /nfs/dbraw/zinc/76/24/29/464762429.db2.gz YJDNRABZNVRBAO-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM O=C(NOC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000276491877 464953478 /nfs/dbraw/zinc/95/34/78/464953478.db2.gz SNQBDMDCSGXMCZ-QMMMGPOBSA-N -1 0 334.250 2.312 20 5 EEBDRM CCC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nnn[n-]1 ZINC000268171930 464954811 /nfs/dbraw/zinc/95/48/11/464954811.db2.gz JYCZQWZSQVAEDR-JTQLQIEISA-N -1 0 330.304 2.125 20 5 EEBDRM Cc1c(C(=O)N=c2nc(-c3cccnc3)[n-]s2)cccc1[N+](=O)[O-] ZINC000339594647 465371207 /nfs/dbraw/zinc/37/12/07/465371207.db2.gz BFEODAASOSPVGZ-UHFFFAOYSA-N -1 0 341.352 2.491 20 5 EEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000593921664 468435804 /nfs/dbraw/zinc/43/58/04/468435804.db2.gz GJBRQTCZBBIPIC-JOYOIKCWSA-N -1 0 326.374 2.397 20 5 EEBDRM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000362278185 465625258 /nfs/dbraw/zinc/62/52/58/465625258.db2.gz NIOWSJBNOVUVLV-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM O=C(Nc1ccccc1-c1nc[nH]n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000371401458 465773069 /nfs/dbraw/zinc/77/30/69/465773069.db2.gz PDHFGGTUVWTQPA-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CC(=O)N1Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2C1 ZINC000361292426 465888069 /nfs/dbraw/zinc/88/80/69/465888069.db2.gz DSUMWMSCCZWIMX-UHFFFAOYSA-N -1 0 341.323 2.415 20 5 EEBDRM CCc1[nH]nc(C(=O)[N-]c2nnc(-c3ccccc3)s2)c1[N+](=O)[O-] ZINC000345833348 465907123 /nfs/dbraw/zinc/90/71/23/465907123.db2.gz XLLVGHCFZLLWNA-UHFFFAOYSA-N -1 0 344.356 2.651 20 5 EEBDRM O=C([O-])c1ccccc1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347355321 466586716 /nfs/dbraw/zinc/58/67/16/466586716.db2.gz VYFDWQZYOQTHJO-UHFFFAOYSA-N -1 0 328.324 2.194 20 5 EEBDRM CCC(CC)N(CCOC)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000320401279 466608669 /nfs/dbraw/zinc/60/86/69/466608669.db2.gz OWDBDDSZINWLLN-UHFFFAOYSA-N -1 0 346.405 2.126 20 5 EEBDRM CCC(CC)(CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000321564178 466623978 /nfs/dbraw/zinc/62/39/78/466623978.db2.gz LQPMOYLMSKLHNT-UHFFFAOYSA-N -1 0 344.389 2.073 20 5 EEBDRM CO[C@H](C)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1NC(C)C ZINC000451097240 467247944 /nfs/dbraw/zinc/24/79/44/467247944.db2.gz QXYSUNFCJQYYGZ-SNVBAGLBSA-N -1 0 331.394 2.192 20 5 EEBDRM O=C(NCc1nccn1-c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436791660 467554660 /nfs/dbraw/zinc/55/46/60/467554660.db2.gz LGUIRULOPRWVFC-UHFFFAOYSA-N -1 0 338.323 2.416 20 5 EEBDRM O=C([O-])c1ccc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1 ZINC000551725923 468249445 /nfs/dbraw/zinc/24/94/45/468249445.db2.gz YKKOKHRPLOCDBW-UHFFFAOYSA-N -1 0 325.280 2.051 20 5 EEBDRM C[C@@H](O)[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000570047130 468583961 /nfs/dbraw/zinc/58/39/61/468583961.db2.gz QIIWFHXVRPIEDB-RKDXNWHRSA-N -1 0 328.752 2.187 20 5 EEBDRM CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cc1[N+](=O)[O-] ZINC000592468191 468704532 /nfs/dbraw/zinc/70/45/32/468704532.db2.gz HGWQWWXINYIMHH-AWEZNQCLSA-N -1 0 346.343 2.007 20 5 EEBDRM Cc1cc(S(=O)(=O)N[C@H](C)CCCC(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC000583552244 468714373 /nfs/dbraw/zinc/71/43/73/468714373.db2.gz CTCHJIKEDAVTCE-LLVKDONJSA-N -1 0 344.389 2.133 20 5 EEBDRM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592776133 468782468 /nfs/dbraw/zinc/78/24/68/468782468.db2.gz KJKIEGSSRPEOHM-BDAKNGLRSA-N -1 0 328.752 2.499 20 5 EEBDRM C[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1CO ZINC000592782159 468784585 /nfs/dbraw/zinc/78/45/85/468784585.db2.gz BLVVVWBFDKAANU-UFBFGSQYSA-N -1 0 328.752 2.187 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000595245406 468791944 /nfs/dbraw/zinc/79/19/44/468791944.db2.gz OIQGAFXOAUJVEE-IPYPFGDCSA-N -1 0 347.371 2.404 20 5 EEBDRM CO[C@H]1C[C@@H](C(=O)[O-])N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000584236852 468826913 /nfs/dbraw/zinc/82/69/13/468826913.db2.gz AUGYMJXLRVOOBO-JQWIXIFHSA-N -1 0 348.277 2.288 20 5 EEBDRM COCCOc1cccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000592969382 468831406 /nfs/dbraw/zinc/83/14/06/468831406.db2.gz FBLJBIOIABOONU-UHFFFAOYSA-N -1 0 347.327 2.325 20 5 EEBDRM CS(=O)(=O)C1CCC(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000592975420 468831832 /nfs/dbraw/zinc/83/18/32/468831832.db2.gz MBNFVOBROOQHHC-UHFFFAOYSA-N -1 0 342.373 2.061 20 5 EEBDRM CC(C)(C)n1ncnc1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592979327 468833675 /nfs/dbraw/zinc/83/36/75/468833675.db2.gz NVHPSSHNJGZRGR-UHFFFAOYSA-N -1 0 333.348 2.181 20 5 EEBDRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000584454372 468875231 /nfs/dbraw/zinc/87/52/31/468875231.db2.gz VMUUOIXYZCUDIC-SNVBAGLBSA-N -1 0 344.389 2.085 20 5 EEBDRM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000598479695 468880312 /nfs/dbraw/zinc/88/03/12/468880312.db2.gz HOQDFZWJDIYMFC-WBMJQRKESA-N -1 0 336.344 2.152 20 5 EEBDRM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598583910 468923111 /nfs/dbraw/zinc/92/31/11/468923111.db2.gz HEGRWMRBEKJARJ-NSHDSACASA-N -1 0 344.389 2.133 20 5 EEBDRM COc1cc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000598657244 468948772 /nfs/dbraw/zinc/94/87/72/468948772.db2.gz BVAIBZKLOCVTLV-LBPRGKRZSA-N -1 0 336.344 2.381 20 5 EEBDRM CC(C)(C)[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000610845543 469087329 /nfs/dbraw/zinc/08/73/29/469087329.db2.gz VUMDHPOGQMLRQA-ZDUSSCGKSA-N -1 0 347.327 2.078 20 5 EEBDRM O=C([O-])C1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000596057760 469132394 /nfs/dbraw/zinc/13/23/94/469132394.db2.gz ABPATBBYZYHTFD-UHFFFAOYSA-N -1 0 345.258 2.183 20 5 EEBDRM CCc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC000738391111 578012555 /nfs/dbraw/zinc/01/25/55/578012555.db2.gz FDOKNWHRHNKIQQ-UHFFFAOYSA-N -1 0 344.780 2.012 20 5 EEBDRM O=C([O-])N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000739387589 576015170 /nfs/dbraw/zinc/01/51/70/576015170.db2.gz KNKRNTYEVWYURX-MRVPVSSYSA-N -1 0 327.724 2.120 20 5 EEBDRM Cc1cccc(N(CC(=O)[O-])C(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000738721646 577178313 /nfs/dbraw/zinc/17/83/13/577178313.db2.gz GEVCGMQWGKDLDY-UHFFFAOYSA-N -1 0 329.312 2.338 20 5 EEBDRM CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000773941608 577374303 /nfs/dbraw/zinc/37/43/03/577374303.db2.gz QMIUGUCTCWRGFP-ZDUSSCGKSA-N -1 0 340.401 2.367 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000767075252 577530297 /nfs/dbraw/zinc/53/02/97/577530297.db2.gz HFNKPMUVLSXABR-ZDUSSCGKSA-N -1 0 333.344 2.152 20 5 EEBDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000768862241 577564451 /nfs/dbraw/zinc/56/44/51/577564451.db2.gz JNSUQBQZAYEFJL-UHFFFAOYSA-N -1 0 330.391 2.478 20 5 EEBDRM C[C@@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000769299968 577574508 /nfs/dbraw/zinc/57/45/08/577574508.db2.gz UYLODFJPMRSTAG-BDAKNGLRSA-N -1 0 332.403 2.288 20 5 EEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC12CCCC2 ZINC000770770958 577603404 /nfs/dbraw/zinc/60/34/04/577603404.db2.gz DZIDQWXXIFJOJS-SNVBAGLBSA-N -1 0 342.348 2.119 20 5 EEBDRM COC(OC)[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000753085260 577781265 /nfs/dbraw/zinc/78/12/65/577781265.db2.gz LQWKTJQDLPIQQH-HNNXBMFYSA-N -1 0 346.339 2.390 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)[N-]OCc2ccccc2)c1 ZINC000745392538 577913336 /nfs/dbraw/zinc/91/33/36/577913336.db2.gz WQBNCLAPUJFSRM-UHFFFAOYSA-N -1 0 344.323 2.308 20 5 EEBDRM O=C([O-])c1cccc(OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000738693453 578023970 /nfs/dbraw/zinc/02/39/70/578023970.db2.gz QVYHZUOKKSPAMU-UHFFFAOYSA-N -1 0 345.263 2.283 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738888574 578030045 /nfs/dbraw/zinc/03/00/45/578030045.db2.gz MHTOBBGOSBNQKM-UHFFFAOYSA-N -1 0 344.327 2.361 20 5 EEBDRM O=C([O-])CCCc1nc(COc2ccc([N+](=O)[O-])c(F)c2)no1 ZINC000739702245 578064723 /nfs/dbraw/zinc/06/47/23/578064723.db2.gz LKZUBMLNNVNZIL-UHFFFAOYSA-N -1 0 325.252 2.103 20 5 EEBDRM O=C([O-])CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000739785033 578067907 /nfs/dbraw/zinc/06/79/07/578067907.db2.gz XWFLHHQVTUUQKY-UHFFFAOYSA-N -1 0 344.279 2.055 20 5 EEBDRM O=C([O-])Cc1cccc(OC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000739889574 578071737 /nfs/dbraw/zinc/07/17/37/578071737.db2.gz PQVPDGVHPGBKBQ-UHFFFAOYSA-N -1 0 331.280 2.206 20 5 EEBDRM O=C([O-])N1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000740305641 578089662 /nfs/dbraw/zinc/08/96/62/578089662.db2.gz NFRZMEASYSJEBY-JTQLQIEISA-N -1 0 334.332 2.034 20 5 EEBDRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000736191377 578185458 /nfs/dbraw/zinc/18/54/58/578185458.db2.gz YLXXWSATMWRTKN-UHFFFAOYSA-N -1 0 344.279 2.297 20 5 EEBDRM C[C@H](Sc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736714083 578219728 /nfs/dbraw/zinc/21/97/28/578219728.db2.gz XRJPOHYRFXGKDU-QMMMGPOBSA-N -1 0 335.341 2.125 20 5 EEBDRM CCOC(=O)c1ccnc(NCc2ccc(C(=O)[O-])o2)c1[N+](=O)[O-] ZINC000737154651 578241125 /nfs/dbraw/zinc/24/11/25/578241125.db2.gz GLYPFZVCMYQRMY-UHFFFAOYSA-N -1 0 335.272 2.070 20 5 EEBDRM CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737322993 578250356 /nfs/dbraw/zinc/25/03/56/578250356.db2.gz LSOFFBQHGVSLES-INIZCTEOSA-N -1 0 344.323 2.258 20 5 EEBDRM CC(=O)NCc1ccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000737544643 578263225 /nfs/dbraw/zinc/26/32/25/578263225.db2.gz BKNSUYKCLSDUJY-UHFFFAOYSA-N -1 0 330.300 2.068 20 5 EEBDRM CN(Cc1ccccc1[N+](=O)[O-])c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738004096 578276120 /nfs/dbraw/zinc/27/61/20/578276120.db2.gz XRGDBLSHKNFXJG-UHFFFAOYSA-N -1 0 332.272 2.233 20 5 EEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])C(C)C)cc1SC ZINC000818566577 597040364 /nfs/dbraw/zinc/04/03/64/597040364.db2.gz KHVCHSGENRSYEU-LBPRGKRZSA-N -1 0 342.373 2.164 20 5 EEBDRM CC1(C)CCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000828065257 600818211 /nfs/dbraw/zinc/81/82/11/600818211.db2.gz VKYBYSDZOOBXCK-UHFFFAOYSA-N -1 0 349.387 2.426 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NCCC(F)(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704227 600826741 /nfs/dbraw/zinc/82/67/41/600826741.db2.gz WALQFGILOTVYSI-ZETCQYMHSA-N -1 0 349.265 2.162 20 5 EEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000828633612 601133303 /nfs/dbraw/zinc/13/33/03/601133303.db2.gz AZKYGVVCGAIRIP-AWEZNQCLSA-N -1 0 339.304 2.185 20 5 EEBDRM CCC[C@@H]1C[C@@H]1Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000829257435 601378254 /nfs/dbraw/zinc/37/82/54/601378254.db2.gz ZFLXVBXTHCDQGF-CWSCBRNRSA-N -1 0 335.360 2.398 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704627 601380645 /nfs/dbraw/zinc/38/06/45/601380645.db2.gz ZUNXYHCUWXKCTH-DCAQKATOSA-N -1 0 335.360 2.032 20 5 EEBDRM Cc1ccc([C@@H](C)NC(=O)NCCSCC(=O)[O-])cc1[N+](=O)[O-] ZINC000832921798 601416149 /nfs/dbraw/zinc/41/61/49/601416149.db2.gz WXDKBZCFYBRGDP-SNVBAGLBSA-N -1 0 341.389 2.081 20 5 EEBDRM O=C([O-])c1sccc1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000833348609 601807146 /nfs/dbraw/zinc/80/71/46/601807146.db2.gz NIJYZNUTSRIRIN-UHFFFAOYSA-N -1 0 348.384 2.072 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830428762 604100789 /nfs/dbraw/zinc/10/07/89/604100789.db2.gz ZAJKVWQLQXHRJH-LLVKDONJSA-N -1 0 336.348 2.476 20 5 EEBDRM Cc1n[nH]c(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC000832847855 604389062 /nfs/dbraw/zinc/38/90/62/604389062.db2.gz ZEAPCCGPICOWPE-CYBMUJFWSA-N -1 0 346.343 2.208 20 5 EEBDRM O=C([O-])CCc1csc(NC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000833244301 604729639 /nfs/dbraw/zinc/72/96/39/604729639.db2.gz ZHTKOONMIHDXTF-UHFFFAOYSA-N -1 0 327.343 2.382 20 5 EEBDRM O=C([O-])C=Cc1ccc(N[C@@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])c1 ZINC000833196820 604810726 /nfs/dbraw/zinc/81/07/26/604810726.db2.gz FCJMMDIHRQZSKA-WPPTZLTKSA-N -1 0 328.328 2.385 20 5 EEBDRM C[C@@H](Oc1ccc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1)C(N)=O ZINC000833539709 605187466 /nfs/dbraw/zinc/18/74/66/605187466.db2.gz PLTXQGKUSBDCOS-SECBINFHSA-N -1 0 346.295 2.338 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(C(=O)[O-])no1 ZINC000833694740 605262236 /nfs/dbraw/zinc/26/22/36/605262236.db2.gz ZLQARIVMBFPTAF-UHFFFAOYSA-N -1 0 339.691 2.207 20 5 EEBDRM COC(=O)CC(C)(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843806211 1188618293 /nfs/dbraw/zinc/61/82/93/1188618293.db2.gz SVVVIFCFKWMYNK-UHFFFAOYSA-N -1 0 330.724 2.025 20 5 EEBDRM CCOC(=O)n1nc2c(c1[N-]c1ccc([N+](=O)[O-])cn1)CNC2(C)C ZINC001170754149 1199636589 /nfs/dbraw/zinc/63/65/89/1199636589.db2.gz LJFSCDYIXRGBIN-UHFFFAOYSA-N -1 0 346.347 2.273 20 5 EEBDRM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000133407102 1202194179 /nfs/dbraw/zinc/19/41/79/1202194179.db2.gz ROLDMPFFNMCHJM-UHFFFAOYSA-N -1 0 346.727 2.165 20 5 EEBDRM CC(C)S(=O)(=O)[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000194609783 1211241679 /nfs/dbraw/zinc/24/16/79/1211241679.db2.gz LXRBKLJOICESDT-UHFFFAOYSA-N -1 0 328.371 2.278 20 5 EEBDRM O=C([O-])CN(Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000901971545 1236751865 /nfs/dbraw/zinc/75/18/65/1236751865.db2.gz WAHWZOJBEJXIOT-UHFFFAOYSA-N -1 0 335.179 2.468 20 5 EEBDRM Cc1ccnc(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000853989969 1292573493 /nfs/dbraw/zinc/57/34/93/1292573493.db2.gz UTUZFINOMYJTHU-SCZZXKLOSA-N -1 0 346.309 2.192 20 5 EEBDRM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2nc3n(n2)CCCC3)c1F ZINC000854896396 1292984771 /nfs/dbraw/zinc/98/47/71/1292984771.db2.gz JHZRVUKOQUZLBU-UHFFFAOYSA-N -1 0 337.286 2.362 20 5 EEBDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C ZINC001211289487 1295801662 /nfs/dbraw/zinc/80/16/62/1295801662.db2.gz FQYOWGRYHFKYBP-UHFFFAOYSA-N -1 0 337.357 2.295 20 5 EEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@](O)(c2ccccc2)C1 ZINC000862802095 1295968803 /nfs/dbraw/zinc/96/88/03/1295968803.db2.gz ZMZSPZCLWAENFI-SFHVURJKSA-N -1 0 342.351 2.424 20 5 EEBDRM O=c1c2cc(O[C@H]3C[NH2+]CC[C@@H]3F)c(O)cc2oc2cccc(O)c12 ZINC001217958048 1297537192 /nfs/dbraw/zinc/53/71/92/1297537192.db2.gz AEMGOHYJDPENFS-QFYYESIMSA-N -1 0 345.326 2.436 20 5 EEBDRM CCOC(=O)c1[n-]c(=O)nc(O[C@@H]2CCC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001226022064 1301236091 /nfs/dbraw/zinc/23/60/91/1301236091.db2.gz XBHONJBYVGJRFU-KXUCPTDWSA-N -1 0 339.348 2.471 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2CCC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC001226650136 1301493585 /nfs/dbraw/zinc/49/35/85/1301493585.db2.gz QKIUGLRTZMESMI-DJLDLDEBSA-N -1 0 325.321 2.081 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](CC(C)C)C(C)C)c1[N+](=O)[O-] ZINC001226650168 1301493911 /nfs/dbraw/zinc/49/39/11/1301493911.db2.gz REJPOVAKMMXNNC-SECBINFHSA-N -1 0 327.337 2.327 20 5 EEBDRM COC(=O)c1[n-]c(=O)nc(O[C@H](C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001226652459 1301496082 /nfs/dbraw/zinc/49/60/82/1301496082.db2.gz LLGDRMMNTCHJAL-SSDOTTSWSA-N -1 0 337.263 2.156 20 5 EEBDRM O=C([O-])C[C@H](O)C(=O)Oc1c2ccccc2c(O)c2ccccc21 ZINC001229026940 1302577965 /nfs/dbraw/zinc/57/79/65/1302577965.db2.gz NQVTVAOGIIGFTI-AWEZNQCLSA-N -1 0 326.304 2.440 20 5 EEBDRM CCCSc1nc(O[C@@H](C[N+](=O)[O-])C2CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229793501 1302946738 /nfs/dbraw/zinc/94/67/38/1302946738.db2.gz ZYHAUMUGAMRCHV-QMMMGPOBSA-N -1 0 344.349 2.027 20 5 EEBDRM CCOC(=O)N1CCC[C@@H](Oc2[n-]c(C)cc(=O)c2[N+](=O)[O-])C1 ZINC001231261282 1303709456 /nfs/dbraw/zinc/70/94/56/1303709456.db2.gz ZXAJNGOMTXSMLP-SNVBAGLBSA-N -1 0 325.321 2.004 20 5 EEBDRM O=C(N[C@@H](CCO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000799812239 1305450455 /nfs/dbraw/zinc/45/04/55/1305450455.db2.gz ZSLCBFRUYRDXSY-ZDUSSCGKSA-N -1 0 330.340 2.024 20 5 EEBDRM CC(C)(CF)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001117741622 1306160645 /nfs/dbraw/zinc/16/06/45/1306160645.db2.gz BVSWJNCWUQELKR-UHFFFAOYSA-N -1 0 328.724 2.414 20 5 EEBDRM CCOC1CCN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)CC1 ZINC001123277218 1310512151 /nfs/dbraw/zinc/51/21/51/1310512151.db2.gz GLBHYHISQWKRLW-UHFFFAOYSA-N -1 0 347.375 2.101 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000842403344 1315697707 /nfs/dbraw/zinc/69/77/07/1315697707.db2.gz BAXMGRFXUITSRL-ZYHUDNBSSA-N -1 0 340.401 2.285 20 5 EEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C2(C)CCC2)cccc1[N+](=O)[O-] ZINC000842404201 1315698205 /nfs/dbraw/zinc/69/82/05/1315698205.db2.gz PHXAECJTDWKGSH-UHFFFAOYSA-N -1 0 326.374 2.039 20 5 EEBDRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001608513079 1351707376 /nfs/dbraw/zinc/70/73/76/1351707376.db2.gz UPZHRHVMAFYMMG-NSHDSACASA-N -1 0 345.315 2.146 20 5 EEBDRM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001600059719 1349963217 /nfs/dbraw/zinc/96/32/17/1349963217.db2.gz UQRDLOWSGCAPHR-UHFFFAOYSA-N -1 0 344.276 2.134 20 5 EEBDRM Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)CCC(=O)[O-] ZINC001600070241 1349965324 /nfs/dbraw/zinc/96/53/24/1349965324.db2.gz RBYLPISABOFEDK-UHFFFAOYSA-N -1 0 346.133 2.478 20 5 EEBDRM Cc1cc(C(=O)OCCOc2ccccc2[N+](=O)[O-])oc1C(=O)[O-] ZINC001600138922 1349978329 /nfs/dbraw/zinc/97/83/29/1349978329.db2.gz UOQZLKBWOOXJTK-UHFFFAOYSA-N -1 0 335.268 2.430 20 5 EEBDRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC001601821573 1350372345 /nfs/dbraw/zinc/37/23/45/1350372345.db2.gz YDBZYIPCGGHSAS-GUTXKFCHSA-N -1 0 332.356 2.239 20 5 EEBDRM O=C([O-])c1cnc(NCCOc2ncccc2Cl)c([N+](=O)[O-])c1 ZINC001602532858 1350540483 /nfs/dbraw/zinc/54/04/83/1350540483.db2.gz FRZOBZYGMSCGIS-UHFFFAOYSA-N -1 0 338.707 2.227 20 5 EEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001605060466 1351069036 /nfs/dbraw/zinc/06/90/36/1351069036.db2.gz KCQITHNBBLJNEB-OSAQELSMSA-N -1 0 334.372 2.343 20 5 EEBDRM CCc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1[N+](=O)[O-] ZINC001605805884 1351225864 /nfs/dbraw/zinc/22/58/64/1351225864.db2.gz FSSWKBWTVTYJCE-SYQHCUMBSA-N -1 0 332.356 2.386 20 5 EEBDRM O=C([O-])C[C@@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CCO1 ZINC001608701895 1351744703 /nfs/dbraw/zinc/74/47/03/1351744703.db2.gz SJHZQBCTEKRFDR-MRVPVSSYSA-N -1 0 334.250 2.294 20 5 EEBDRM O=C([O-])CCSCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001608733264 1351751542 /nfs/dbraw/zinc/75/15/42/1351751542.db2.gz QGBVVESKAQQXGG-UHFFFAOYSA-N -1 0 344.414 2.011 20 5 EEBDRM O=C([O-])CNC(=O)c1ccc(NCC2(C3CC3)CCC2)c([N+](=O)[O-])c1 ZINC001608755341 1351755918 /nfs/dbraw/zinc/75/59/18/1351755918.db2.gz MZJHWVBHFMRBMU-UHFFFAOYSA-N -1 0 347.371 2.401 20 5 EEBDRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001608774091 1351760243 /nfs/dbraw/zinc/76/02/43/1351760243.db2.gz DPORANDZMCJTHI-HNNXBMFYSA-N -1 0 342.351 2.340 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@H](O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001608780912 1351762298 /nfs/dbraw/zinc/76/22/98/1351762298.db2.gz XFQMLEFNGSHXBA-CQSZACIVSA-N -1 0 348.330 2.377 20 5 EEBDRM O=C([O-])Cc1ccccc1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC001608790707 1351764522 /nfs/dbraw/zinc/76/45/22/1351764522.db2.gz YSCWMXCFLRIJSJ-UHFFFAOYSA-N -1 0 328.280 2.178 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(c3cccc(Br)c3[N+](=O)[O-])C[C@@H]21 ZINC001608817520 1351770300 /nfs/dbraw/zinc/77/03/00/1351770300.db2.gz ZYAGGJLSEJSPNQ-MTBHXBHISA-N -1 0 327.134 2.124 20 5 EEBDRM O=C([O-])c1cc(F)cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001608850627 1351778664 /nfs/dbraw/zinc/77/86/64/1351778664.db2.gz AAZNXJFBSPGTKD-UHFFFAOYSA-N -1 0 341.272 2.200 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)c2c[nH]c3ncccc23)c1 ZINC001608915812 1351793316 /nfs/dbraw/zinc/79/33/16/1351793316.db2.gz SAYPBDIPWNHISC-UHFFFAOYSA-N -1 0 341.279 2.431 20 5 EEBDRM O=C([O-])c1ccoc1S(=O)(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001608956296 1351802609 /nfs/dbraw/zinc/80/26/09/1351802609.db2.gz NFXDPSLCTDPWKK-UHFFFAOYSA-N -1 0 347.688 2.307 20 5 EEBDRM O=C([O-])c1cnoc1COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001609025857 1351818184 /nfs/dbraw/zinc/81/81/84/1351818184.db2.gz ZDKWWWXMWPMRTK-UHFFFAOYSA-N -1 0 326.648 2.291 20 5 EEBDRM O=[N+]([O-])c1sccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC001322273321 1333239474 /nfs/dbraw/zinc/23/94/74/1333239474.db2.gz LHTOTGPDVZUEIN-UHFFFAOYSA-N -1 0 329.315 2.365 20 5 EEBDRM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC001324849218 1333772399 /nfs/dbraw/zinc/77/23/99/1333772399.db2.gz PLRLTLNKLCKURW-UTUOFQBUSA-N -1 0 340.401 2.472 20 5 EEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001609549789 1352013342 /nfs/dbraw/zinc/01/33/42/1352013342.db2.gz WMUQVRRYNSQVPO-IOCXFXADSA-N -1 0 328.271 2.223 20 5 EEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001609831617 1352095927 /nfs/dbraw/zinc/09/59/27/1352095927.db2.gz FLXFUMOOAGWLIN-APPZFPTMSA-N -1 0 344.270 2.131 20 5 EEBDRM C[C@@H]1CCC[C@H](N(C)c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001609849601 1352101118 /nfs/dbraw/zinc/10/11/18/1352101118.db2.gz FGYRQXWLRQMIFA-YPMHNXCESA-N -1 0 349.387 2.424 20 5 EEBDRM CCC[C@@](C)(NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001609953453 1352128614 /nfs/dbraw/zinc/12/86/14/1352128614.db2.gz YSCJHZHTSIBUHG-CQSZACIVSA-N -1 0 328.296 2.116 20 5 EEBDRM CN(CCCC(=O)[O-])C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001610114850 1352165101 /nfs/dbraw/zinc/16/51/01/1352165101.db2.gz MFMJUHPOOALXKJ-UHFFFAOYSA-N -1 0 332.259 2.133 20 5 EEBDRM COCCO[C@@H](C)c1nnc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC001610264347 1352196135 /nfs/dbraw/zinc/19/61/35/1352196135.db2.gz BJQXHVGIPOPBKA-QMMMGPOBSA-N -1 0 337.288 2.067 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)C(C)(C)C(=O)[O-])c1 ZINC001610384944 1352214140 /nfs/dbraw/zinc/21/41/40/1352214140.db2.gz RDIHQXRUZTUHTC-UHFFFAOYSA-N -1 0 341.341 2.153 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC001610515184 1352236688 /nfs/dbraw/zinc/23/66/88/1352236688.db2.gz VVXGWGJKCYWPDW-UHFFFAOYSA-N -1 0 338.360 2.432 20 5 EEBDRM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1sccc1C(=O)[O-] ZINC001610649059 1352257328 /nfs/dbraw/zinc/25/73/28/1352257328.db2.gz LIZYCSSMQOSUFF-UHFFFAOYSA-N -1 0 325.277 2.328 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001610748997 1352268211 /nfs/dbraw/zinc/26/82/11/1352268211.db2.gz PIWMYNITSHQPHO-MRVPVSSYSA-N -1 0 343.336 2.015 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001610750630 1352268635 /nfs/dbraw/zinc/26/86/35/1352268635.db2.gz BFPUDKLVTQLMOM-NSHDSACASA-N -1 0 328.271 2.056 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc(Cl)c1F ZINC001610813856 1352279286 /nfs/dbraw/zinc/27/92/86/1352279286.db2.gz QLVKJSMXATXHPP-UHFFFAOYSA-N -1 0 328.643 2.061 20 5 EEBDRM O=C([O-])c1ccccc1OCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC001610853281 1352285881 /nfs/dbraw/zinc/28/58/81/1352285881.db2.gz NIPKJKXMUNWZAZ-UHFFFAOYSA-N -1 0 343.339 2.125 20 5 EEBDRM Cc1c(CC(=O)N(C)Cc2ccc(C(=O)[O-])cn2)cccc1[N+](=O)[O-] ZINC001600008759 1349954669 /nfs/dbraw/zinc/95/46/69/1349954669.db2.gz BBAPFRGCOAWBEG-UHFFFAOYSA-N -1 0 343.339 2.198 20 5 EEBDRM Cc1c(NC(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600041065 1349960407 /nfs/dbraw/zinc/96/04/07/1349960407.db2.gz PCHLJBLAAWYSQB-VFWDIBGWSA-N -1 0 337.332 2.289 20 5 EEBDRM Cc1c(NCC(=O)N(C)CC(F)(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600049746 1349962109 /nfs/dbraw/zinc/96/21/09/1349962109.db2.gz WOXPTEYYAKRUCL-UHFFFAOYSA-N -1 0 349.265 2.034 20 5 EEBDRM Cc1cc(C(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600089708 1349969103 /nfs/dbraw/zinc/96/91/03/1349969103.db2.gz FQXNLKKCEPMDGK-AWEZNQCLSA-N -1 0 344.323 2.035 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)C(=O)Nc2ccccc2)n1 ZINC001600104952 1349972145 /nfs/dbraw/zinc/97/21/45/1349972145.db2.gz KPTYVHIXRMTQCZ-SNVBAGLBSA-N -1 0 344.327 2.436 20 5 EEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001600164334 1349983897 /nfs/dbraw/zinc/98/38/97/1349983897.db2.gz KUFVZOOSGORBNO-ONGXEEELSA-N -1 0 342.298 2.216 20 5 EEBDRM Cc1cc(NCCN=S2(=O)CCCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600281324 1350009889 /nfs/dbraw/zinc/00/98/89/1350009889.db2.gz XLKCITCICOQCTD-UHFFFAOYSA-N -1 0 341.389 2.275 20 5 EEBDRM Cc1cc(NCCNC(=O)c2ccco2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600280910 1350010077 /nfs/dbraw/zinc/01/00/77/1350010077.db2.gz IPFRIEPYJOLMTB-UHFFFAOYSA-N -1 0 333.300 2.036 20 5 EEBDRM Cc1cc(OS(=O)(=O)CC2(CC(=O)[O-])CC2)c(F)cc1[N+](=O)[O-] ZINC001600291540 1350012707 /nfs/dbraw/zinc/01/27/07/1350012707.db2.gz FGIPWAIBZWIOLQ-UHFFFAOYSA-N -1 0 347.320 2.006 20 5 EEBDRM Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])n1 ZINC001600304534 1350015633 /nfs/dbraw/zinc/01/56/33/1350015633.db2.gz WYCOWTWJOQGBDV-AWEZNQCLSA-N -1 0 335.360 2.452 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2ncc(C(=O)[O-])s2)c1C ZINC001600487082 1350063222 /nfs/dbraw/zinc/06/32/22/1350063222.db2.gz PYDYKZJFMYZPBX-UHFFFAOYSA-N -1 0 349.368 2.339 20 5 EEBDRM Cc1cccc(OS(=O)(=O)CCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC001600546319 1350079026 /nfs/dbraw/zinc/07/90/26/1350079026.db2.gz IEXWVHOZJFHJNT-UHFFFAOYSA-N -1 0 331.346 2.257 20 5 EEBDRM Cc1cccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1C(=O)[O-] ZINC001600550674 1350080155 /nfs/dbraw/zinc/08/01/55/1350080155.db2.gz LPSDEZNHDOOKNJ-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1F ZINC001600834734 1350148154 /nfs/dbraw/zinc/14/81/54/1350148154.db2.gz FMYBJALILFXZKJ-UHFFFAOYSA-N -1 0 345.260 2.101 20 5 EEBDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1C ZINC001600835205 1350148320 /nfs/dbraw/zinc/14/83/20/1350148320.db2.gz TYCLSDRWYYBLKS-UHFFFAOYSA-N -1 0 341.297 2.271 20 5 EEBDRM Cc1sc(C)c(C(=O)[O-])c1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001600876795 1350158392 /nfs/dbraw/zinc/15/83/92/1350158392.db2.gz QSJFILPESPQIRF-UHFFFAOYSA-N -1 0 336.329 2.201 20 5 EEBDRM NC(=O)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001601144472 1350220088 /nfs/dbraw/zinc/22/00/88/1350220088.db2.gz HQDLNGGNDOJNSB-SFYZADRCSA-N -1 0 341.751 2.402 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC001601217293 1350234086 /nfs/dbraw/zinc/23/40/86/1350234086.db2.gz HVVXXDOAZWQGCU-CYBMUJFWSA-N -1 0 334.259 2.299 20 5 EEBDRM O=C([O-])c1ccccc1CCOC(=O)COc1ccccc1[N+](=O)[O-] ZINC001601345743 1350262670 /nfs/dbraw/zinc/26/26/70/1350262670.db2.gz YYPDDZJVZNWQTD-UHFFFAOYSA-N -1 0 345.307 2.458 20 5 EEBDRM O=C([O-])c1cc2c(cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1)OCO2 ZINC001601362556 1350266775 /nfs/dbraw/zinc/26/67/75/1350266775.db2.gz XCHBQCDTMNLSBQ-UHFFFAOYSA-N -1 0 344.279 2.203 20 5 EEBDRM O=C([O-])C1(O)CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001601723003 1350348201 /nfs/dbraw/zinc/34/82/01/1350348201.db2.gz RKDNJWWCKBWIJC-UHFFFAOYSA-N -1 0 334.250 2.030 20 5 EEBDRM O=C([O-])C1=NO[C@]2(CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001601743518 1350353391 /nfs/dbraw/zinc/35/33/91/1350353391.db2.gz JFETZJLBXKQULX-CYBMUJFWSA-N -1 0 325.708 2.058 20 5 EEBDRM O=C([O-])CC1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001601956244 1350405545 /nfs/dbraw/zinc/40/55/45/1350405545.db2.gz KBQRPKUKSRGNIU-UHFFFAOYSA-N -1 0 325.296 2.453 20 5 EEBDRM O=C([O-])c1cc(C(=O)N2CCOCC3(CCCC3)C2)cc([N+](=O)[O-])c1 ZINC001602244536 1350474896 /nfs/dbraw/zinc/47/48/96/1350474896.db2.gz DZQJKPBIGRYZII-UHFFFAOYSA-N -1 0 348.355 2.326 20 5 EEBDRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCC3(CCC3)CO2)cc([N+](=O)[O-])c1 ZINC001602246217 1350475633 /nfs/dbraw/zinc/47/56/33/1350475633.db2.gz LQQMPXNBFAMPSQ-AWEZNQCLSA-N -1 0 348.355 2.372 20 5 EEBDRM O=C([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001602421074 1350515489 /nfs/dbraw/zinc/51/54/89/1350515489.db2.gz NWCOTTBXIHWKCS-KRWDZBQOSA-N -1 0 342.351 2.385 20 5 EEBDRM O=C([O-])c1cccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC001602431624 1350518058 /nfs/dbraw/zinc/51/80/58/1350518058.db2.gz KCNQBLLZRQMSCL-UHFFFAOYSA-N -1 0 335.293 2.394 20 5 EEBDRM O=C([O-])c1cccc(OCc2cn(-c3ccccc3)nn2)c1[N+](=O)[O-] ZINC001602450679 1350522056 /nfs/dbraw/zinc/52/20/56/1350522056.db2.gz PGDUWRAXHAFDEV-UHFFFAOYSA-N -1 0 340.295 2.453 20 5 EEBDRM O=C([O-])c1ccnc(NCC[C@@H](NC2CC2)C(F)(F)F)c1[N+](=O)[O-] ZINC001602483905 1350529705 /nfs/dbraw/zinc/52/97/05/1350529705.db2.gz VKZLSRVILPCRCA-SECBINFHSA-N -1 0 348.281 2.173 20 5 EEBDRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1 ZINC001603237883 1350668591 /nfs/dbraw/zinc/66/85/91/1350668591.db2.gz HWKPIPJJRJIBNZ-UHFFFAOYSA-N -1 0 343.339 2.282 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001603987791 1350822087 /nfs/dbraw/zinc/82/20/87/1350822087.db2.gz LOQRXYZOJUEMIC-LLVKDONJSA-N -1 0 347.327 2.294 20 5 EEBDRM CC[C@H](OC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001605117303 1351080719 /nfs/dbraw/zinc/08/07/19/1351080719.db2.gz WJCNLFRKUNYSIP-QMMMGPOBSA-N -1 0 349.242 2.225 20 5 EEBDRM CCOC(=O)C1CCC(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001605524683 1351179666 /nfs/dbraw/zinc/17/96/66/1351179666.db2.gz NZOOLSVHTLUWSR-UHFFFAOYSA-N -1 0 337.332 2.222 20 5 EEBDRM CCON(CC)C(=O)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001605648678 1351209488 /nfs/dbraw/zinc/20/94/88/1351209488.db2.gz UQIZOIZNLXUKHL-UHFFFAOYSA-N -1 0 345.739 2.158 20 5 EEBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1csc(C(=O)[O-])n1 ZINC001606140629 1351278338 /nfs/dbraw/zinc/27/83/38/1351278338.db2.gz GEBATMZVXRFAPU-UHFFFAOYSA-N -1 0 335.341 2.064 20 5 EEBDRM CO[C@](C)(CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001606659885 1351338768 /nfs/dbraw/zinc/33/87/68/1351338768.db2.gz UIBDTQWWBOZHHY-CQSZACIVSA-N -1 0 339.304 2.428 20 5 EEBDRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])C1 ZINC001606744013 1351350387 /nfs/dbraw/zinc/35/03/87/1351350387.db2.gz XXDLCZYPBQOFGG-MKPLZMMCSA-N -1 0 342.373 2.045 20 5 EEBDRM COc1ccc([C@@H](O)CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001607235788 1351455739 /nfs/dbraw/zinc/45/57/39/1351455739.db2.gz WFASYQPBSLHQDN-HNNXBMFYSA-N -1 0 332.312 2.447 20 5 EEBDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001607245430 1351457696 /nfs/dbraw/zinc/45/76/96/1351457696.db2.gz HGUWFZVAEYBYCD-XVNBXDOJSA-N -1 0 344.279 2.315 20 5 EEBDRM COc1ccc(OC(=O)c2cccc(OCC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001607277583 1351463792 /nfs/dbraw/zinc/46/37/92/1351463792.db2.gz IOKAODRUOKGDPM-UHFFFAOYSA-N -1 0 347.279 2.286 20 5 EEBDRM COc1ccc2c(c1)CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC001607296453 1351467173 /nfs/dbraw/zinc/46/71/73/1351467173.db2.gz ZMUCVVKXLWEICK-UHFFFAOYSA-N -1 0 342.307 2.458 20 5 EEBDRM Cc1c(NC(=O)N2CC([C@@H]3CCOC3)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607542924 1351513241 /nfs/dbraw/zinc/51/32/41/1351513241.db2.gz LDIJYMHOMPVOFC-SNVBAGLBSA-N -1 0 349.343 2.102 20 5 EEBDRM Cc1c(NC(=O)NCc2ccnc(F)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607544605 1351513638 /nfs/dbraw/zinc/51/36/38/1351513638.db2.gz JUJIYOZIJHKKTI-UHFFFAOYSA-N -1 0 348.290 2.457 20 5 EEBDRM Cn1nc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c2ccccc21 ZINC001608148988 1351635146 /nfs/dbraw/zinc/63/51/46/1351635146.db2.gz SQYDOFPKQWKUOJ-UHFFFAOYSA-N -1 0 327.300 2.187 20 5 EEBDRM Nc1cccc([N+](=O)[O-])c1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC001608274517 1351661028 /nfs/dbraw/zinc/66/10/28/1351661028.db2.gz ITPGVQTXKUJZLG-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM O=C([O-])c1ccc(OC(=O)Cn2ccc(C(F)F)n2)cc1[N+](=O)[O-] ZINC001608378883 1351682008 /nfs/dbraw/zinc/68/20/08/1351682008.db2.gz CMNMJXNPHUBHRU-UHFFFAOYSA-N -1 0 341.226 2.033 20 5 EEBDRM C[C@H]1CC=C(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000835034006 1372583021 /nfs/dbraw/zinc/58/30/21/1372583021.db2.gz MRSLEAQNRRBZIN-NSHDSACASA-N -1 0 338.385 2.287 20 5 EEBDRM C[C@@H]1CC=C(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000835077866 1372588198 /nfs/dbraw/zinc/58/81/98/1372588198.db2.gz WXZCKTJXXKCPHH-SECBINFHSA-N -1 0 342.348 2.285 20 5 EEBDRM O=C(CNC(=O)C1CCCCC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837341288 1372781849 /nfs/dbraw/zinc/78/18/49/1372781849.db2.gz HTXXCYCYCGLVNY-UHFFFAOYSA-N -1 0 336.344 2.040 20 5 EEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001605701331 1404750237 /nfs/dbraw/zinc/75/02/37/1404750237.db2.gz QIZPGPASSKQWPZ-LSYCYVAJSA-N -1 0 349.343 2.368 20 5 EEBDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000785087915 760104366 /nfs/dbraw/zinc/10/43/66/760104366.db2.gz CUSFSCVXFZVLDT-QMMMGPOBSA-N -1 0 332.403 2.175 20 5 EEBDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000785093655 760116029 /nfs/dbraw/zinc/11/60/29/760116029.db2.gz COCKNBVEVMGVFA-QMMMGPOBSA-N -1 0 332.403 2.175 20 5 EEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1C ZINC000112160460 775441833 /nfs/dbraw/zinc/44/18/33/775441833.db2.gz PJEDRDSPMXCXON-UHFFFAOYSA-N -1 0 340.382 2.392 20 5 EEBDRM C[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1cccc(Br)n1 ZINC001226331552 781448204 /nfs/dbraw/zinc/44/82/04/781448204.db2.gz MHZTVRKAFONRHU-ZCFIWIBFSA-N -1 0 341.121 2.388 20 5 EEBDRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000816334002 783902206 /nfs/dbraw/zinc/90/22/06/783902206.db2.gz GNBGTQFZSKRAQE-UHFFFAOYSA-N -1 0 348.380 2.471 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nn1C ZINC000817353595 784692639 /nfs/dbraw/zinc/69/26/39/784692639.db2.gz CABWRMWFQQOPNS-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM CCc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nn1C ZINC000817355621 784693932 /nfs/dbraw/zinc/69/39/32/784693932.db2.gz ZODLFSVLHYFRHB-UHFFFAOYSA-N -1 0 338.389 2.308 20 5 EEBDRM O=C([O-])/C=C/c1ccc(NCCC2(O)CCOCC2)c([N+](=O)[O-])c1 ZINC000844212081 788929771 /nfs/dbraw/zinc/92/97/71/788929771.db2.gz QOOCCTQPMNVBIB-DUXPYHPUSA-N -1 0 336.344 2.036 20 5 EEBDRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151430272 788958166 /nfs/dbraw/zinc/95/81/66/788958166.db2.gz GDONDCNGSSJIRN-LBPRGKRZSA-N -1 0 342.417 2.410 20 5 EEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000172659547 791752161 /nfs/dbraw/zinc/75/21/61/791752161.db2.gz QLUQLWMGEFLLKN-VIFPVBQESA-N -1 0 340.382 2.265 20 5 EEBDRM O=C([O-])c1cc(Nc2cnn3c2OCC2(CC2)C3)cc([N+](=O)[O-])c1 ZINC001176678485 798525459 /nfs/dbraw/zinc/52/54/59/798525459.db2.gz QLNAGZOIQQYEOT-UHFFFAOYSA-N -1 0 330.300 2.406 20 5 EEBDRM O=C(NCC1CC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798157520 804723581 /nfs/dbraw/zinc/72/35/81/804723581.db2.gz FCHWYBFZXIAKEQ-UHFFFAOYSA-N -1 0 336.735 2.279 20 5 EEBDRM O=C(OCCOCC(F)(F)C(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000787746708 807223951 /nfs/dbraw/zinc/22/39/51/807223951.db2.gz HDNJLEDDCVATOA-UHFFFAOYSA-N -1 0 341.213 2.374 20 5 EEBDRM CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000793111179 810148677 /nfs/dbraw/zinc/14/86/77/810148677.db2.gz QAODSJOJYIQHCS-UHFFFAOYSA-N -1 0 338.341 2.430 20 5 EEBDRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001601424609 970992221 /nfs/dbraw/zinc/99/22/21/970992221.db2.gz YVNUSZAFENZCAM-LBPRGKRZSA-N -1 0 349.730 2.069 20 5 EEBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)C1 ZINC001601626080 971032948 /nfs/dbraw/zinc/03/29/48/971032948.db2.gz NNYFPRNGXPTBGD-WDEREUQCSA-N -1 0 344.327 2.220 20 5 EEBDRM O=C([O-])CC1(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CCOCC1 ZINC001594976675 950923516 /nfs/dbraw/zinc/92/35/16/950923516.db2.gz DFSFFVGINBWWGM-UHFFFAOYSA-N -1 0 344.270 2.083 20 5 EEBDRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CO1 ZINC001595006189 951202490 /nfs/dbraw/zinc/20/24/90/951202490.db2.gz RQMFZIJWUYVXDQ-HTQZYQBOSA-N -1 0 344.270 2.081 20 5 EEBDRM O=C([O-])C1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1 ZINC001594741300 953363410 /nfs/dbraw/zinc/36/34/10/953363410.db2.gz SBWXCYFFLQXQKO-UHFFFAOYSA-N -1 0 344.270 2.181 20 5 EEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001589272623 953426409 /nfs/dbraw/zinc/42/64/09/953426409.db2.gz XBTFVKFXQLESLD-RKDXNWHRSA-N -1 0 325.296 2.308 20 5 EEBDRM Cn1cc(CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)c([N+](=O)[O-])n1 ZINC001594542640 955665367 /nfs/dbraw/zinc/66/53/67/955665367.db2.gz FPJQLPDIFOZICI-GFCCVEGCSA-N -1 0 344.371 2.372 20 5 EEBDRM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H](CC(=O)[O-])C1 ZINC001594575219 955912064 /nfs/dbraw/zinc/91/20/64/955912064.db2.gz PPBKPZXUHVXJIK-SSDOTTSWSA-N -1 0 336.270 2.038 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594381208 958622979 /nfs/dbraw/zinc/62/29/79/958622979.db2.gz OPDICQILZUQZQA-RYUDHWBXSA-N -1 0 336.344 2.420 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001254211521 960652106 /nfs/dbraw/zinc/65/21/06/960652106.db2.gz XSZOWBPYLHEZFX-CQSZACIVSA-N -1 0 343.339 2.235 20 5 EEBDRM C[C@H](CC(=O)[O-])NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001609871061 970562766 /nfs/dbraw/zinc/56/27/66/970562766.db2.gz JTDHQCQQBATZLM-DGCLKSJQSA-N -1 0 335.360 2.347 20 5 EEBDRM Cc1ccc(CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001605273694 973063608 /nfs/dbraw/zinc/06/36/08/973063608.db2.gz OMZMTAMILULTFS-ZDUSSCGKSA-N -1 0 337.376 2.449 20 5 EEBDRM CCC(CC)(CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC001603532391 973583128 /nfs/dbraw/zinc/58/31/28/973583128.db2.gz YCOAAKLCFMOXPH-UHFFFAOYSA-N -1 0 326.324 2.284 20 5 EEBDRM CCOc1ccc(NC(=O)CSCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001603869052 974369933 /nfs/dbraw/zinc/36/99/33/974369933.db2.gz HTNYOEOASWPUIU-UHFFFAOYSA-N -1 0 328.346 2.140 20 5 EEBDRM CC(C)c1[nH]nc(C(=O)OCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001591920523 976388396 /nfs/dbraw/zinc/38/83/96/976388396.db2.gz AGCGTNSLUJMNNP-UHFFFAOYSA-N -1 0 333.300 2.497 20 5 EEBDRM CC(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])nn2C)cc1[N+](=O)[O-] ZINC001591943267 976476926 /nfs/dbraw/zinc/47/69/26/976476926.db2.gz QVVARYYNLNCUOO-UHFFFAOYSA-N -1 0 332.316 2.402 20 5 EEBDRM C[C@@H](CNC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1[N+](=O)[O-] ZINC001592697226 979152704 /nfs/dbraw/zinc/15/27/04/979152704.db2.gz NQGPSJFQKVZQFP-JTQLQIEISA-N -1 0 329.312 2.222 20 5 EEBDRM CC(C)[C@H](OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000833474154 979190355 /nfs/dbraw/zinc/19/03/55/979190355.db2.gz WYVPIJYVXUDZCV-ZDUSSCGKSA-N -1 0 340.288 2.088 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001595047610 979257447 /nfs/dbraw/zinc/25/74/47/979257447.db2.gz ATANOBUXCRVXRZ-UHFFFAOYSA-N -1 0 346.343 2.313 20 5 EEBDRM C[C@H](COCc1ccccc1)Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O ZINC001592780362 979409562 /nfs/dbraw/zinc/40/95/62/979409562.db2.gz FDMXNIMMFAMPLK-LBPRGKRZSA-N -1 0 346.339 2.308 20 5 EEBDRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000864209258 979893398 /nfs/dbraw/zinc/89/33/98/979893398.db2.gz XNOODHDGJOGYKY-MOCULFSLSA-N -1 0 345.355 2.152 20 5 EEBDRM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C[C@H](C)[S@@]1=O ZINC001595492760 981255207 /nfs/dbraw/zinc/25/52/07/981255207.db2.gz UVUCASXMHDVZLF-YCINEILWSA-N -1 0 340.401 2.337 20 5 EEBDRM CCC[C@H](CCO)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595592042 981549825 /nfs/dbraw/zinc/54/98/25/981549825.db2.gz UHWBAMYCRPNGRV-LLVKDONJSA-N -1 0 339.348 2.274 20 5 EEBDRM CCCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)[O-] ZINC001595676105 982146000 /nfs/dbraw/zinc/14/60/00/982146000.db2.gz ICZDLHRDYJNMAU-LLVKDONJSA-N -1 0 327.312 2.079 20 5 EEBDRM CC[C@H](C)[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001594886974 982268740 /nfs/dbraw/zinc/26/87/40/982268740.db2.gz HUDRCLRPMQTKSM-LKFCYVNXSA-N -1 0 326.324 2.282 20 5 EEBDRM CCCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001595915362 983013304 /nfs/dbraw/zinc/01/33/04/983013304.db2.gz JKEBANHCTVBXIU-UHFFFAOYSA-N -1 0 327.768 2.478 20 5 EEBDRM C/C(=C/C(=O)Nc1ccc(C(=O)[O-])nn1)c1ccc([N+](=O)[O-])cc1 ZINC001588944220 984645904 /nfs/dbraw/zinc/64/59/04/984645904.db2.gz SIOLDJAGJSSKFN-HJWRWDBZSA-N -1 0 328.284 2.125 20 5 EEBDRM C[C@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC001599893688 984726745 /nfs/dbraw/zinc/72/67/45/984726745.db2.gz AJGWKUGXDYXFFZ-MMPTUQATSA-N -1 0 335.360 2.408 20 5 EEBDRM C[C@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001599894454 984735622 /nfs/dbraw/zinc/73/56/22/984735622.db2.gz WCEFZHJYLOVRJZ-VLMXXORWSA-N -1 0 347.371 2.454 20 5 EEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc(C(=O)[O-])no1 ZINC001589003112 984950066 /nfs/dbraw/zinc/95/00/66/984950066.db2.gz VRJPMMOUDWGADU-TWGQIWQCSA-N -1 0 332.268 2.428 20 5 EEBDRM CCOCCCN(C[C@H](C)C(=O)[O-])c1ncc([N+](=O)[O-])cc1F ZINC001596914817 985935343 /nfs/dbraw/zinc/93/53/43/985935343.db2.gz KRMNQLWQLRKCBZ-JTQLQIEISA-N -1 0 329.328 2.083 20 5 EEBDRM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC001589378528 986445020 /nfs/dbraw/zinc/44/50/20/986445020.db2.gz MIWJTAYEZSGVMG-SDBXPKJASA-N -1 0 330.287 2.302 20 5 EEBDRM CC[S@](=O)[C@H]1CCC[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001597250551 987235994 /nfs/dbraw/zinc/23/59/94/987235994.db2.gz SCPIQYQKWONJIA-LYSPQLLHSA-N -1 0 341.389 2.180 20 5 EEBDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001589704604 987812757 /nfs/dbraw/zinc/81/27/57/987812757.db2.gz CIZDKCPYGDNBTK-LLVKDONJSA-N -1 0 334.332 2.090 20 5 EEBDRM CCc1nc(C)c(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)o1 ZINC001597656741 988712859 /nfs/dbraw/zinc/71/28/59/988712859.db2.gz FBQGIRKADMKBRE-INIZCTEOSA-N -1 0 347.327 2.183 20 5 EEBDRM CCc1nncn1CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001597741934 989103936 /nfs/dbraw/zinc/10/39/36/989103936.db2.gz SPRAJRGHYDEUPU-UHFFFAOYSA-N -1 0 339.739 2.212 20 5 EEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CC(=O)[O-] ZINC001599863324 989205041 /nfs/dbraw/zinc/20/50/41/989205041.db2.gz CIZARUAJUIEXLH-RKDXNWHRSA-N -1 0 326.736 2.431 20 5 EEBDRM CC(C)(CCC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1)[N+](=O)[O-] ZINC001590656099 990352473 /nfs/dbraw/zinc/35/24/73/990352473.db2.gz IHASCPLAZAYSNK-LOIXOFCESA-N -1 0 344.433 2.067 20 5 EEBDRM CC(C)(CS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001590811936 990642219 /nfs/dbraw/zinc/64/22/19/990642219.db2.gz BODXUDXCTXIJPO-UHFFFAOYSA-N -1 0 337.737 2.068 20 5 EEBDRM CC(C)(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001590854613 990735403 /nfs/dbraw/zinc/73/54/03/990735403.db2.gz CKIINIJNEFHOGB-MNOVXSKESA-N -1 0 335.360 2.382 20 5 EEBDRM CC(C)CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001591218426 992079749 /nfs/dbraw/zinc/07/97/49/992079749.db2.gz YNEVJHGZPLGTJX-SNVBAGLBSA-N -1 0 344.389 2.396 20 5 EEBDRM CN(Cc1ccc2c(c1)OCO2)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598525405 992714112 /nfs/dbraw/zinc/71/41/12/992714112.db2.gz GQVBCKZHQFWLJM-UHFFFAOYSA-N -1 0 331.284 2.053 20 5 EEBDRM CN(Cc1nc2ccccc2n1C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598537935 992861622 /nfs/dbraw/zinc/86/16/22/992861622.db2.gz SOWAMTMYAQGKQH-UHFFFAOYSA-N -1 0 341.327 2.211 20 5 EEBDRM C[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001593108580 993766088 /nfs/dbraw/zinc/76/60/88/993766088.db2.gz FXXWIGABSJCJFK-SYZWTGEBSA-N -1 0 347.371 2.454 20 5 EEBDRM COc1cccc([C@@H](O)CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001599660050 994642472 /nfs/dbraw/zinc/64/24/72/994642472.db2.gz PRBIQNSQZYKDLY-INIZCTEOSA-N -1 0 346.339 2.376 20 5 EEBDRM C[C@@](O)(CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC001593417666 995206768 /nfs/dbraw/zinc/20/67/68/995206768.db2.gz YLJHDNHBJJIFJJ-OAHLLOKOSA-N -1 0 335.291 2.147 20 5 EEBDRM COC(=O)[C@H]1CCCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598786239 996031942 /nfs/dbraw/zinc/03/19/42/996031942.db2.gz AMJGVAQFKOXTRL-CQSZACIVSA-N -1 0 336.344 2.211 20 5 EEBDRM COc1ccc(C(=O)[O-])c2c1CN(Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC001599498363 997061060 /nfs/dbraw/zinc/06/10/60/997061060.db2.gz LERBRGALBQXAAC-UHFFFAOYSA-N -1 0 347.327 2.156 20 5 EEBDRM COc1cc(C(=O)N(CC(=O)[O-])C2CCCC2)c([N+](=O)[O-])cc1F ZINC001599350742 998089569 /nfs/dbraw/zinc/08/95/69/998089569.db2.gz RSZIGUOJLZOSAA-UHFFFAOYSA-N -1 0 340.307 2.212 20 5 EEBDRM COc1ccc(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1O ZINC001599556834 998106973 /nfs/dbraw/zinc/10/69/73/998106973.db2.gz ZWFLUSUMSXEBHG-UHFFFAOYSA-N -1 0 347.327 2.365 20 5 EEBDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001594158551 998585873 /nfs/dbraw/zinc/58/58/73/998585873.db2.gz ISAPCXXRXMLCTK-IONNQARKSA-N -1 0 344.270 2.131 20 5 EEBDRM CO[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)[C@@H]1CCOC1 ZINC001599055788 999228554 /nfs/dbraw/zinc/22/85/54/999228554.db2.gz QPJUXAULMJKLQI-KCJUWKMLSA-N -1 0 344.751 2.410 20 5 EEBDRM Cn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CCSC(C)(C)C1 ZINC001519613484 1119092956 /nfs/dbraw/zinc/09/29/56/1119092956.db2.gz CHGDSXHFEBNRLA-UHFFFAOYSA-N -1 0 349.416 2.428 20 5 EEBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC001607503385 1124067813 /nfs/dbraw/zinc/06/78/13/1124067813.db2.gz UBRVPICAVNUMFG-SSDOTTSWSA-N -1 0 345.149 2.211 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccnn1C(C)C ZINC000066248460 215026572 /nfs/dbraw/zinc/02/65/72/215026572.db2.gz MSLXYCVTTDXZRB-UHFFFAOYSA-N -1 0 340.361 2.182 20 5 EEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC000182942219 234828946 /nfs/dbraw/zinc/82/89/46/234828946.db2.gz VWUUMZFLCOTILK-UHFFFAOYSA-N -1 0 340.361 2.385 20 5 EEBDRM CCC[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000263205243 283883143 /nfs/dbraw/zinc/88/31/43/283883143.db2.gz OFNSSVSRJLBYKN-SECBINFHSA-N -1 0 347.327 2.079 20 5 EEBDRM CC(C)[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236770881 242351701 /nfs/dbraw/zinc/35/17/01/242351701.db2.gz URAYQHJDUXSQKK-AWEZNQCLSA-N -1 0 335.360 2.034 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C/C2CCC2)cc([N+](=O)[O-])c1C ZINC000492104130 246300443 /nfs/dbraw/zinc/30/04/43/246300443.db2.gz RMBBLLYDYOIYTE-VOTSOKGWSA-N -1 0 338.385 2.373 20 5 EEBDRM O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273417676 256294976 /nfs/dbraw/zinc/29/49/76/256294976.db2.gz UXAQIIYTXXQKKZ-GFCCVEGCSA-N -1 0 329.312 2.208 20 5 EEBDRM CCCN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273465807 256299287 /nfs/dbraw/zinc/29/92/87/256299287.db2.gz REIMODYRRNFJSN-UHFFFAOYSA-N -1 0 338.360 2.494 20 5 EEBDRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262351955 286054687 /nfs/dbraw/zinc/05/46/87/286054687.db2.gz BMHXQPPVSMGBNU-GFCCVEGCSA-N -1 0 338.360 2.184 20 5 EEBDRM CCOc1ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000262829362 152323589 /nfs/dbraw/zinc/32/35/89/152323589.db2.gz RWVIPEPETRXYOG-GFCCVEGCSA-N -1 0 338.360 2.470 20 5 EEBDRM O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000356007196 153240691 /nfs/dbraw/zinc/24/06/91/153240691.db2.gz UYUYHDZIUYPLFS-UHFFFAOYSA-N -1 0 339.311 2.267 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccccc2[C@@H]1CO ZINC000357650896 153265752 /nfs/dbraw/zinc/26/57/52/153265752.db2.gz UYIAPMIFSNFEAE-INIZCTEOSA-N -1 0 328.324 2.032 20 5 EEBDRM CC(=O)N1CCC(CCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000092547459 159222506 /nfs/dbraw/zinc/22/25/06/159222506.db2.gz CYVQACBFATYUAA-UHFFFAOYSA-N -1 0 335.360 2.278 20 5 EEBDRM O=C([O-])Cc1ccccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000238074963 160227934 /nfs/dbraw/zinc/22/79/34/160227934.db2.gz IIYSGVJWMLQVFO-UHFFFAOYSA-N -1 0 329.312 2.273 20 5 EEBDRM Nc1c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000238064051 160228129 /nfs/dbraw/zinc/22/81/29/160228129.db2.gz UKZZBCTWKVSTNV-UHFFFAOYSA-N -1 0 329.312 2.447 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCCCC(=O)[O-] ZINC000243806170 160229776 /nfs/dbraw/zinc/22/97/76/160229776.db2.gz QNTFAHVFVIGHBQ-UHFFFAOYSA-N -1 0 325.321 2.370 20 5 EEBDRM O=C([O-])COc1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000345776580 161331507 /nfs/dbraw/zinc/33/15/07/161331507.db2.gz CFAGZADAJOTWSX-UHFFFAOYSA-N -1 0 342.307 2.261 20 5 EEBDRM Cc1ccc(CN(CCO)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000345928027 161342879 /nfs/dbraw/zinc/34/28/79/161342879.db2.gz IYVUSHKMPSQHCI-UHFFFAOYSA-N -1 0 330.340 2.244 20 5 EEBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000351709063 161889428 /nfs/dbraw/zinc/88/94/28/161889428.db2.gz AEPRIQNXZROUGC-UHFFFAOYSA-N -1 0 348.793 2.494 20 5 EEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-n3cccn3)cc2)[nH]1 ZINC000352013029 162028944 /nfs/dbraw/zinc/02/89/44/162028944.db2.gz GFLASSUPGICPDX-DAXSKMNVSA-N -1 0 325.284 2.152 20 5 EEBDRM O=C(NCc1nc(-c2cccs2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356512132 163475379 /nfs/dbraw/zinc/47/53/79/163475379.db2.gz LPBMPFRSJKRPFO-UHFFFAOYSA-N -1 0 346.324 2.342 20 5 EEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nnc3ccccn32)c1[N+](=O)[O-] ZINC000359125738 164066108 /nfs/dbraw/zinc/06/61/08/164066108.db2.gz LMVPKFIMGLEIQY-UHFFFAOYSA-N -1 0 347.356 2.055 20 5 EEBDRM Cc1cc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])sc1Cl ZINC000359401761 164127378 /nfs/dbraw/zinc/12/73/78/164127378.db2.gz DDGKLLOZPTWDCN-UHFFFAOYSA-N -1 0 333.778 2.236 20 5 EEBDRM COc1cc(OCC(=O)Nc2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000362744519 164784078 /nfs/dbraw/zinc/78/40/78/164784078.db2.gz IYEMOCYKPJMPFH-UHFFFAOYSA-N -1 0 346.295 2.319 20 5 EEBDRM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000154026830 292515628 /nfs/dbraw/zinc/51/56/28/292515628.db2.gz WEMCBXIKNJPQAO-UHFFFAOYSA-N -1 0 348.319 2.152 20 5 EEBDRM O=C([O-])[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000376518225 167342751 /nfs/dbraw/zinc/34/27/51/167342751.db2.gz OJUNFODIAOHLBJ-AWEZNQCLSA-N -1 0 326.308 2.419 20 5 EEBDRM Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cnn1C ZINC000275696553 269136401 /nfs/dbraw/zinc/13/64/01/269136401.db2.gz PZVCXRCSIITYET-NHYWBVRUSA-N -1 0 346.343 2.059 20 5 EEBDRM CC(C)C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000236597428 279185282 /nfs/dbraw/zinc/18/52/82/279185282.db2.gz UFSRESBHCGVSLE-AWEZNQCLSA-N -1 0 333.344 2.234 20 5 EEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000355499272 301012472 /nfs/dbraw/zinc/01/24/72/301012472.db2.gz VYOQAWXBQGERIF-SECBINFHSA-N -1 0 342.373 2.022 20 5 EEBDRM CCC[C@@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C(=O)[O-] ZINC000319484310 311594056 /nfs/dbraw/zinc/59/40/56/311594056.db2.gz CADBBEZXDILKSC-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])c1ccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000323865366 311599835 /nfs/dbraw/zinc/59/98/35/311599835.db2.gz QABOSSBVNRKVLQ-UHFFFAOYSA-N -1 0 326.264 2.089 20 5 EEBDRM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H](CC)CN1C(C)=O ZINC000331000245 311806607 /nfs/dbraw/zinc/80/66/07/311806607.db2.gz JSBVDENDSFGTKX-KGLIPLIRSA-N -1 0 349.387 2.162 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC000401352524 312452935 /nfs/dbraw/zinc/45/29/35/312452935.db2.gz YHXAZIKAFIJSAF-SNVBAGLBSA-N -1 0 344.389 2.071 20 5 EEBDRM CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H](CC)CN1C(C)=O ZINC000436981473 315019473 /nfs/dbraw/zinc/01/94/73/315019473.db2.gz QMKUJBKDEFWITB-STQMWFEESA-N -1 0 349.387 2.162 20 5 EEBDRM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(SC)ns2)c1 ZINC000440079426 315110581 /nfs/dbraw/zinc/11/05/81/315110581.db2.gz PEVCQMCUQKUISE-UHFFFAOYSA-N -1 0 326.359 2.429 20 5 EEBDRM O=C(Nc1cccc(-c2c[nH]nn2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000442669332 315206246 /nfs/dbraw/zinc/20/62/46/315206246.db2.gz GUNGDODTIOJWJT-UHFFFAOYSA-N -1 0 325.284 2.338 20 5 EEBDRM CC[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC(=O)N1 ZINC000542638645 318134417 /nfs/dbraw/zinc/13/44/17/318134417.db2.gz PANRTAXIIDUDSU-VXNVDRBHSA-N -1 0 341.751 2.197 20 5 EEBDRM Cc1ccc([C@H](C)NC(=O)N[C@H](CC(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000562884262 318941254 /nfs/dbraw/zinc/94/12/54/318941254.db2.gz DRHFXKXBQBTHEI-WCBMZHEXSA-N -1 0 345.302 2.372 20 5 EEBDRM O=C([O-])c1c(NS(=O)(=O)CCC2CCC2)cccc1[N+](=O)[O-] ZINC000563225529 318986112 /nfs/dbraw/zinc/98/61/12/318986112.db2.gz GCQWKTQXDLRPCL-UHFFFAOYSA-N -1 0 328.346 2.225 20 5 EEBDRM O=C([O-])Cc1ccc(NCCCOC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000563623314 319031765 /nfs/dbraw/zinc/03/17/65/319031765.db2.gz GQHYDHNZCZTEIL-CYBMUJFWSA-N -1 0 338.360 2.220 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCC3)nc2)n1 ZINC000567980999 319440834 /nfs/dbraw/zinc/44/08/34/319440834.db2.gz WTVSDMXPYGXPEM-UHFFFAOYSA-N -1 0 343.343 2.295 20 5 EEBDRM O=C([O-])c1cnc(N2CCC[C@@H](OCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000567981702 319441346 /nfs/dbraw/zinc/44/13/46/319441346.db2.gz VPKAMFWCXNMECY-SECBINFHSA-N -1 0 349.265 2.236 20 5 EEBDRM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000570969797 319714827 /nfs/dbraw/zinc/71/48/27/319714827.db2.gz KOLMANAATNGOTI-MWLCHTKSSA-N -1 0 342.373 2.061 20 5 EEBDRM C[C@H]1[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000574990479 320077679 /nfs/dbraw/zinc/07/76/79/320077679.db2.gz ALCCCOSWJWJNPM-IUCAKERBSA-N -1 0 327.768 2.118 20 5 EEBDRM CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000575320340 320100497 /nfs/dbraw/zinc/10/04/97/320100497.db2.gz RCXJCZUMHDWFDO-ZDUSSCGKSA-N -1 0 332.360 2.475 20 5 EEBDRM CCc1ccc(S(=O)(=O)NC(C)(C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000579003490 323756019 /nfs/dbraw/zinc/75/60/19/323756019.db2.gz IQSUIQRZPRPUQE-UHFFFAOYSA-N -1 0 344.389 2.079 20 5 EEBDRM O=C([O-])C1(O)CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000581074514 324181777 /nfs/dbraw/zinc/18/17/77/324181777.db2.gz OLCVLFZNYKPYEL-UHFFFAOYSA-N -1 0 349.368 2.134 20 5 EEBDRM Cc1cc(N2CC[C@](O)(C(F)(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000582303737 324426249 /nfs/dbraw/zinc/42/62/49/324426249.db2.gz LPDFGLRIIPSSEX-GFCCVEGCSA-N -1 0 334.250 2.105 20 5 EEBDRM O=C([O-])c1ccnc(NC[C@@H](O)CCc2ccccc2)c1[N+](=O)[O-] ZINC000583146322 324603248 /nfs/dbraw/zinc/60/32/48/324603248.db2.gz VLDFWNHSECJWJN-LBPRGKRZSA-N -1 0 331.328 2.094 20 5 EEBDRM C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000583145959 324603301 /nfs/dbraw/zinc/60/33/01/324603301.db2.gz DVAQVUBXCCADAH-WPRPVWTQSA-N -1 0 328.752 2.329 20 5 EEBDRM Cc1cc([N-]C(=O)c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)no1 ZINC000612957954 449956093 /nfs/dbraw/zinc/95/60/93/449956093.db2.gz AMYLTRGZKVMLTM-UHFFFAOYSA-N -1 0 343.299 2.426 20 5 EEBDRM Cc1ccnc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000339046654 465049440 /nfs/dbraw/zinc/04/94/40/465049440.db2.gz RKQZDVBIKHAIBF-UHFFFAOYSA-N -1 0 341.776 2.430 20 5 EEBDRM Cc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000336864158 465057976 /nfs/dbraw/zinc/05/79/76/465057976.db2.gz FLYCTDMECJPOOG-UHFFFAOYSA-N -1 0 336.325 2.402 20 5 EEBDRM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000153438332 462649934 /nfs/dbraw/zinc/64/99/34/462649934.db2.gz PRAQGSUBZMUNPD-UHFFFAOYSA-N -1 0 348.319 2.152 20 5 EEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000157255997 463113477 /nfs/dbraw/zinc/11/34/77/463113477.db2.gz DBKVPWMHZQJTEF-UHFFFAOYSA-N -1 0 330.259 2.355 20 5 EEBDRM Cc1cccc(-n2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])nn2)c1 ZINC000135341610 463145583 /nfs/dbraw/zinc/14/55/83/463145583.db2.gz FSDCIFXSACRNSN-UHFFFAOYSA-N -1 0 339.311 2.442 20 5 EEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000123708663 463362936 /nfs/dbraw/zinc/36/29/36/463362936.db2.gz JEGGKKBJOAQYBA-UHFFFAOYSA-N -1 0 328.296 2.352 20 5 EEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000151038062 463468035 /nfs/dbraw/zinc/46/80/35/463468035.db2.gz DDRDWYUSEUSZQA-GFCCVEGCSA-N -1 0 348.277 2.076 20 5 EEBDRM CCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cn1 ZINC000071914691 463472209 /nfs/dbraw/zinc/47/22/09/463472209.db2.gz HWCXZOSHULDZQF-UHFFFAOYSA-N -1 0 328.325 2.060 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2F)ccc1[O-] ZINC000072003601 463479180 /nfs/dbraw/zinc/47/91/80/463479180.db2.gz QOVUGVCAHRLTON-UHFFFAOYSA-N -1 0 330.268 2.379 20 5 EEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]cnc21 ZINC000177676312 463764417 /nfs/dbraw/zinc/76/44/17/463764417.db2.gz UTKCCORHAMCREP-UHFFFAOYSA-N -1 0 348.340 2.281 20 5 EEBDRM Nc1c(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000262078437 463941485 /nfs/dbraw/zinc/94/14/85/463941485.db2.gz JVNOJRMFSWYOSA-ZYHUDNBSSA-N -1 0 335.360 2.330 20 5 EEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCC(=O)[O-] ZINC000262302686 463996516 /nfs/dbraw/zinc/99/65/16/463996516.db2.gz BSBLDOZYGVGURN-JTQLQIEISA-N -1 0 326.374 2.447 20 5 EEBDRM CC1(C)[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H]2CCCO[C@H]21 ZINC000262391176 464016985 /nfs/dbraw/zinc/01/69/85/464016985.db2.gz KJZQSSQVXRCMNY-BFHYXJOUSA-N -1 0 348.355 2.226 20 5 EEBDRM CCO[C@H](CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(C)C ZINC000263573851 464132982 /nfs/dbraw/zinc/13/29/82/464132982.db2.gz MYNAAQSLYQSKPZ-CQSZACIVSA-N -1 0 338.360 2.474 20 5 EEBDRM CC(C)n1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000280902600 464270361 /nfs/dbraw/zinc/27/03/61/464270361.db2.gz FWSZMGFTLWIDAN-UHFFFAOYSA-N -1 0 338.389 2.357 20 5 EEBDRM CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000271647783 464352010 /nfs/dbraw/zinc/35/20/10/464352010.db2.gz ZCZHYJYAGYQCRX-ZDUSSCGKSA-N -1 0 335.360 2.276 20 5 EEBDRM O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182070994 464565034 /nfs/dbraw/zinc/56/50/34/464565034.db2.gz DACVGSSFLJOEAB-ZIAGYGMSSA-N -1 0 330.344 2.411 20 5 EEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000272489786 464630426 /nfs/dbraw/zinc/63/04/26/464630426.db2.gz BZXLQGDBPQUPLG-KRWDZBQOSA-N -1 0 342.351 2.384 20 5 EEBDRM CCOC(=O)[C@H](CC)N(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000276197341 464843190 /nfs/dbraw/zinc/84/31/90/464843190.db2.gz JKDSCZHBHJVYNP-LBPRGKRZSA-N -1 0 336.344 2.247 20 5 EEBDRM CCc1cccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000184439601 464976138 /nfs/dbraw/zinc/97/61/38/464976138.db2.gz NFNWMOGVHDCFDG-UHFFFAOYSA-N -1 0 343.339 2.231 20 5 EEBDRM O=C(N=c1nc(-c2cccnc2)[n-]s1)c1ccc([N+](=O)[O-])s1 ZINC000339597412 465373229 /nfs/dbraw/zinc/37/32/29/465373229.db2.gz BKAKYPZRWPHOFA-UHFFFAOYSA-N -1 0 333.354 2.244 20 5 EEBDRM COCc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O ZINC000351821528 465381326 /nfs/dbraw/zinc/38/13/26/465381326.db2.gz KDCRMQDCTCBUMC-UHFFFAOYSA-N -1 0 338.341 2.248 20 5 EEBDRM COc1ccc2c(c1)C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000362315694 465651906 /nfs/dbraw/zinc/65/19/06/465651906.db2.gz DAOMJLXJTIQXAR-NSHDSACASA-N -1 0 344.323 2.499 20 5 EEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000323130902 466635834 /nfs/dbraw/zinc/63/58/34/466635834.db2.gz XUDTZISGFVKFJA-UHFFFAOYSA-N -1 0 338.341 2.418 20 5 EEBDRM COc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1NC(N)=O ZINC000427963617 467189091 /nfs/dbraw/zinc/18/90/91/467189091.db2.gz JHWXLTXAPHAADX-UHFFFAOYSA-N -1 0 346.299 2.052 20 5 EEBDRM CCOC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])nc1C ZINC000436702135 467551000 /nfs/dbraw/zinc/55/10/00/467551000.db2.gz GZAUBZPGKOZZET-UHFFFAOYSA-N -1 0 345.311 2.433 20 5 EEBDRM COc1cccc(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)c1[N+](=O)[O-] ZINC000450524038 467864353 /nfs/dbraw/zinc/86/43/53/467864353.db2.gz KYGRWMPWEJLKFV-INIZCTEOSA-N -1 0 336.344 2.176 20 5 EEBDRM CO[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000516295627 468023623 /nfs/dbraw/zinc/02/36/23/468023623.db2.gz WBMWOUJWBFZFEI-QPUJVOFHSA-N -1 0 328.752 2.451 20 5 EEBDRM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000531768741 468073785 /nfs/dbraw/zinc/07/37/85/468073785.db2.gz MLMYADUWTWBCOX-GFCCVEGCSA-N -1 0 330.340 2.324 20 5 EEBDRM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000578506702 468210465 /nfs/dbraw/zinc/21/04/65/468210465.db2.gz WAZBJBZGUISRPH-UHFFFAOYSA-N -1 0 339.377 2.215 20 5 EEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1noc(C(F)F)n1 ZINC000591784682 468521930 /nfs/dbraw/zinc/52/19/30/468521930.db2.gz VDYDVSPRRSXRRQ-YFKPBYRVSA-N -1 0 328.231 2.112 20 5 EEBDRM C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000592137604 468634418 /nfs/dbraw/zinc/63/44/18/468634418.db2.gz KDAFJTNEUBBEMK-VHSXEESVSA-N -1 0 342.373 2.102 20 5 EEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000571083992 468737788 /nfs/dbraw/zinc/73/77/88/468737788.db2.gz YLHHKXLSSIYLHI-ZYHUDNBSSA-N -1 0 346.343 2.330 20 5 EEBDRM Cc1csc([C@@H](C)CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])n1 ZINC000592976454 468831993 /nfs/dbraw/zinc/83/19/93/468831993.db2.gz JOCPJWHYCLJFBM-ZETCQYMHSA-N -1 0 336.373 2.977 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](c2ccnn2C)C(C)C)n1 ZINC000592978498 468832789 /nfs/dbraw/zinc/83/27/89/468832789.db2.gz NJEMCGSPMZQABV-GFCCVEGCSA-N -1 0 347.375 2.582 20 5 EEBDRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000598662273 468950637 /nfs/dbraw/zinc/95/06/37/468950637.db2.gz VHXNFNXWGSAQMQ-RISCZKNCSA-N -1 0 335.360 2.419 20 5 EEBDRM COCCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC000610843192 469087016 /nfs/dbraw/zinc/08/70/16/469087016.db2.gz AHVMIGBQHZIFDP-UHFFFAOYSA-N -1 0 336.344 2.324 20 5 EEBDRM CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000614898389 469087115 /nfs/dbraw/zinc/08/71/15/469087115.db2.gz XGETYFIWCVNYRW-CYBMUJFWSA-N -1 0 348.277 2.484 20 5 EEBDRM O=C([O-])C1(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCC1 ZINC000610896891 469107668 /nfs/dbraw/zinc/10/76/68/469107668.db2.gz OCWLKTBHMIMINE-UHFFFAOYSA-N -1 0 332.316 2.132 20 5 EEBDRM C[C@]1(C(F)F)CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000596051163 469128827 /nfs/dbraw/zinc/12/88/27/469128827.db2.gz MPSMMQDNNQKUIQ-CQSZACIVSA-N -1 0 330.287 2.149 20 5 EEBDRM CC[C@@H](C(=O)[O-])N(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000573664880 469181434 /nfs/dbraw/zinc/18/14/34/469181434.db2.gz WPAFJZPKCDXBAZ-AWEZNQCLSA-N -1 0 335.360 2.175 20 5 EEBDRM O=C(N[C@H]1COc2cc(F)cc(F)c21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000612397322 469455740 /nfs/dbraw/zinc/45/57/40/469455740.db2.gz BIGHEGIJPIWCMC-LBPRGKRZSA-N -1 0 336.250 2.442 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000619507097 469628590 /nfs/dbraw/zinc/62/85/90/469628590.db2.gz BJVUKSIYQSRQTD-UHFFFAOYSA-N -1 0 340.361 2.251 20 5 EEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1onc(C)c1C ZINC000619507144 469629131 /nfs/dbraw/zinc/62/91/31/469629131.db2.gz IQNKPGOIWIFRMT-UHFFFAOYSA-N -1 0 327.318 2.009 20 5 EEBDRM O=C(Nc1ccc(F)c(-c2nnc[nH]2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000619574282 469642777 /nfs/dbraw/zinc/64/27/77/469642777.db2.gz NJQZTDNGXZPRHL-UHFFFAOYSA-N -1 0 343.274 2.477 20 5 EEBDRM CCC[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263169032 535345834 /nfs/dbraw/zinc/34/58/34/535345834.db2.gz KJLZLGFOCOSTNI-ZDUSSCGKSA-N -1 0 349.387 2.426 20 5 EEBDRM CCOC(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000494676482 535768361 /nfs/dbraw/zinc/76/83/61/535768361.db2.gz HWGGBFDARDLWKO-UHFFFAOYSA-N -1 0 337.332 2.107 20 5 EEBDRM Cc1nn(Cc2ccc(C(=O)O[C@H](C)C(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000738378590 576357863 /nfs/dbraw/zinc/35/78/63/576357863.db2.gz KCXQGFSBFYDLAF-LLVKDONJSA-N -1 0 347.327 2.086 20 5 EEBDRM Cc1ccc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC000738547064 576570499 /nfs/dbraw/zinc/57/04/99/576570499.db2.gz NQXJIFVZNPTHTH-UHFFFAOYSA-N -1 0 333.252 2.234 20 5 EEBDRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000732513368 577183024 /nfs/dbraw/zinc/18/30/24/577183024.db2.gz PHCZAPMHFKTAPR-UHFFFAOYSA-N -1 0 339.373 2.182 20 5 EEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCO3)cs1 ZINC000768892345 577565169 /nfs/dbraw/zinc/56/51/69/577565169.db2.gz QTPVYWHYGGHHMO-UHFFFAOYSA-N -1 0 328.327 2.186 20 5 EEBDRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770768040 577603347 /nfs/dbraw/zinc/60/33/47/577603347.db2.gz QOZNWWWOOCKFGW-CLFYSBASSA-N -1 0 330.337 2.285 20 5 EEBDRM Cc1noc(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000760343834 577661248 /nfs/dbraw/zinc/66/12/48/577661248.db2.gz ZDTHLBQOYGQCTA-UHFFFAOYSA-N -1 0 329.309 2.448 20 5 EEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000764021674 577729965 /nfs/dbraw/zinc/72/99/65/577729965.db2.gz ZHSHXFDBTRTUJN-SNVBAGLBSA-N -1 0 326.374 2.087 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)/C=C1/CC[C@H](C)C1 ZINC000753803541 577793996 /nfs/dbraw/zinc/79/39/96/577793996.db2.gz ULEDVAITEZNTFT-JMZICWNOSA-N -1 0 338.385 2.455 20 5 EEBDRM COCC(=O)Nc1ccc(OC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000755321197 577823596 /nfs/dbraw/zinc/82/35/96/577823596.db2.gz MUQDDHVJWRJGIV-UHFFFAOYSA-N -1 0 346.295 2.105 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC000738665104 578023221 /nfs/dbraw/zinc/02/32/21/578023221.db2.gz QJIJUYNEDHUFBQ-UHFFFAOYSA-N -1 0 335.341 2.263 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)[O-])c2cccc(C)n2)c1 ZINC000738667686 578023269 /nfs/dbraw/zinc/02/32/69/578023269.db2.gz IAZTUKFUARIIPR-UHFFFAOYSA-N -1 0 329.312 2.338 20 5 EEBDRM O=C([O-])c1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000739325840 578048561 /nfs/dbraw/zinc/04/85/61/578048561.db2.gz ZEXGHOLYTZDBOC-UHFFFAOYSA-N -1 0 329.264 2.333 20 5 EEBDRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000739795506 578068203 /nfs/dbraw/zinc/06/82/03/578068203.db2.gz JZWWSVAGLXVGOK-UHFFFAOYSA-N -1 0 340.238 2.193 20 5 EEBDRM CC(C)(C)[C@H](O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736257335 578190772 /nfs/dbraw/zinc/19/07/72/578190772.db2.gz RVUQHDJMBOFZOU-SNVBAGLBSA-N -1 0 327.293 2.020 20 5 EEBDRM CCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1F ZINC000736647761 578215715 /nfs/dbraw/zinc/21/57/15/578215715.db2.gz SZNNRPFORMTGBC-UHFFFAOYSA-N -1 0 345.294 2.451 20 5 EEBDRM CCN1C(=O)N[C@H](c2cc([N+](=O)[O-])c(F)cc2F)C(C(=O)[O-])=C1C ZINC000737111709 578238530 /nfs/dbraw/zinc/23/85/30/578238530.db2.gz NFDGYSFHUKGWOQ-GFCCVEGCSA-N -1 0 341.270 2.318 20 5 EEBDRM CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1C(=O)[O-] ZINC000737321959 578250385 /nfs/dbraw/zinc/25/03/85/578250385.db2.gz BYPFQOWZTFJQMW-UHFFFAOYSA-N -1 0 348.286 2.474 20 5 EEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CCSC[C@H](C)C(=O)[O-] ZINC000737905058 578272568 /nfs/dbraw/zinc/27/25/68/578272568.db2.gz DBUSGUPPLSTTET-VIFPVBQESA-N -1 0 342.373 2.386 20 5 EEBDRM Cc1ccc(OS(=O)(=O)c2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000832951472 601136283 /nfs/dbraw/zinc/13/62/83/601136283.db2.gz KXOWYNJRBCWEOR-UHFFFAOYSA-N -1 0 337.309 2.369 20 5 EEBDRM O=C([O-])/C=C\c1ccc(NCCCNC(=O)C2CCC2)c([N+](=O)[O-])c1 ZINC000833197114 601381308 /nfs/dbraw/zinc/38/13/08/601381308.db2.gz JTDRRHRQDAYZRN-VURMDHGXSA-N -1 0 347.371 2.411 20 5 EEBDRM CC[C@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000828944118 601549791 /nfs/dbraw/zinc/54/97/91/601549791.db2.gz XGDWXQDVPVZILM-HONMWMINSA-N -1 0 335.360 2.408 20 5 EEBDRM O=C([O-])CCC1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000833225219 601798409 /nfs/dbraw/zinc/79/84/09/601798409.db2.gz CRCDXIKSZOQSDK-UHFFFAOYSA-N -1 0 349.343 2.037 20 5 EEBDRM C[C@@H](CC(=O)[O-])C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000827349954 602193281 /nfs/dbraw/zinc/19/32/81/602193281.db2.gz USOZYLALVLSUAE-VIFPVBQESA-N -1 0 334.284 2.404 20 5 EEBDRM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000828672084 602208795 /nfs/dbraw/zinc/20/87/95/602208795.db2.gz MBLLYYXDSBHOKR-CQSZACIVSA-N -1 0 344.389 2.133 20 5 EEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CCC(=O)[O-])c1C ZINC000261710738 602208869 /nfs/dbraw/zinc/20/88/69/602208869.db2.gz PMYGNJPGTCBCEC-UHFFFAOYSA-N -1 0 344.389 2.133 20 5 EEBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCCN2CCOCC2)cc1Cl ZINC000833307862 602249871 /nfs/dbraw/zinc/24/98/71/602249871.db2.gz RFQOAJLKZWSZTL-UHFFFAOYSA-N -1 0 343.767 2.081 20 5 EEBDRM CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ncc(C(=O)[O-])s1 ZINC000830465100 602337177 /nfs/dbraw/zinc/33/71/77/602337177.db2.gz OCUCAXLCTQQINM-DAXSKMNVSA-N -1 0 333.325 2.426 20 5 EEBDRM CS[C@H](CO)[C@@H](C)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832742007 604800651 /nfs/dbraw/zinc/80/06/51/604800651.db2.gz FVTDQMZWIRZLON-KSBSHMNSSA-N -1 0 334.781 2.471 20 5 EEBDRM CC(C)c1n[nH]c(C(=O)N(C)C2(C(=O)[O-])CCCCC2)c1[N+](=O)[O-] ZINC000833508260 604873569 /nfs/dbraw/zinc/87/35/69/604873569.db2.gz AFFDUOSPPOIRTE-UHFFFAOYSA-N -1 0 338.364 2.301 20 5 EEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000263367557 689733814 /nfs/dbraw/zinc/73/38/14/689733814.db2.gz UGZIHEKQRGFYGX-SCZZXKLOSA-N -1 0 326.736 2.431 20 5 EEBDRM O=C([N-]CC1CN(c2ccc(Cl)cc2[N+](=O)[O-])C1)C(F)(F)F ZINC000866293831 1201486329 /nfs/dbraw/zinc/48/63/29/1201486329.db2.gz DIYAWXSYUHBMFG-UHFFFAOYSA-N -1 0 337.685 2.363 20 5 EEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](Cc2nccs2)C1 ZINC000890218349 1204809385 /nfs/dbraw/zinc/80/93/85/1204809385.db2.gz WEZKBKHQNSRFRW-JTQLQIEISA-N -1 0 333.369 2.462 20 5 EEBDRM COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000779673211 1210747076 /nfs/dbraw/zinc/74/70/76/1210747076.db2.gz VTXAMPWHFQFSBI-UHFFFAOYSA-N -1 0 334.259 2.478 20 5 EEBDRM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)no1 ZINC000795804955 1215090286 /nfs/dbraw/zinc/09/02/86/1215090286.db2.gz KSRHLEOLLUJGKM-UHFFFAOYSA-N -1 0 349.727 2.162 20 5 EEBDRM CCc1oncc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000800844171 1234666859 /nfs/dbraw/zinc/66/68/59/1234666859.db2.gz KLTXNARBXDGWBM-UHFFFAOYSA-N -1 0 329.309 2.394 20 5 EEBDRM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])on1 ZINC000814999911 1278035335 /nfs/dbraw/zinc/03/53/35/1278035335.db2.gz BTEHHMSURMBQFA-UHFFFAOYSA-N -1 0 349.727 2.162 20 5 EEBDRM C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853988935 1292572264 /nfs/dbraw/zinc/57/22/64/1292572264.db2.gz FOHFTMHQFMJZJU-ZJUUUORDSA-N -1 0 331.294 2.488 20 5 EEBDRM Cc1cnc(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000853988851 1292572347 /nfs/dbraw/zinc/57/23/47/1292572347.db2.gz DEIBOSUAQCHEPK-ZJUUUORDSA-N -1 0 346.309 2.192 20 5 EEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@](O)(c2ccccc2)C1 ZINC000862800247 1295967199 /nfs/dbraw/zinc/96/71/99/1295967199.db2.gz DDIOGGYTNZGCQQ-GOSISDBHSA-N -1 0 342.351 2.424 20 5 EEBDRM CCOCC(COCC)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095436 1301685505 /nfs/dbraw/zinc/68/55/05/1301685505.db2.gz JKNVTPRRGJFPRQ-UHFFFAOYSA-N -1 0 337.332 2.064 20 5 EEBDRM CCOC(=O)CC1CC(Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228603470 1302332357 /nfs/dbraw/zinc/33/23/57/1302332357.db2.gz KFIBTAMJRCNMOM-UHFFFAOYSA-N -1 0 337.332 2.078 20 5 EEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000796714736 1304568813 /nfs/dbraw/zinc/56/88/13/1304568813.db2.gz RDYILWYEBBYZRK-UHFFFAOYSA-N -1 0 344.389 2.099 20 5 EEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1=CC[C@H](C)CC1 ZINC000835077461 1314898094 /nfs/dbraw/zinc/89/80/94/1314898094.db2.gz OERZWBNXGANLLV-JTQLQIEISA-N -1 0 338.385 2.455 20 5 EEBDRM O=C([N-]S(=O)(=O)CCC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000835944878 1314963022 /nfs/dbraw/zinc/96/30/22/1314963022.db2.gz HNKZKDKIPAHOPT-UHFFFAOYSA-N -1 0 326.374 2.235 20 5 EEBDRM CC1(C)OCC(C)(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CO1 ZINC000837613026 1315096469 /nfs/dbraw/zinc/09/64/69/1315096469.db2.gz MRXMYXWYVLFLSX-UHFFFAOYSA-N -1 0 325.317 2.133 20 5 EEBDRM C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1C ZINC001262891957 1322390693 /nfs/dbraw/zinc/39/06/93/1322390693.db2.gz LQMLFAXSMBZTNO-ZJUUUORDSA-N -1 0 349.416 2.426 20 5 EEBDRM O=C([O-])C12CCC(CC1)N2C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001601258890 1350243522 /nfs/dbraw/zinc/24/35/22/1350243522.db2.gz DWQOTFHLENYPLS-UHFFFAOYSA-N -1 0 346.339 2.166 20 5 EEBDRM O=C([O-])[C@H]1[C@@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])C[C@@H]21 ZINC001602206248 1350465660 /nfs/dbraw/zinc/46/56/60/1350465660.db2.gz IHYFURXJYBXYAP-VROVMSAKSA-N -1 0 327.134 2.124 20 5 EEBDRM O=C([O-])[C@@H](O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001608556804 1351715417 /nfs/dbraw/zinc/71/54/17/1351715417.db2.gz IETVIBVSZJGWRW-LBPRGKRZSA-N -1 0 348.277 2.276 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001605059569 1351069328 /nfs/dbraw/zinc/06/93/28/1351069328.db2.gz DTLXJDXQPGZOGE-UIORMTCPSA-N -1 0 332.356 2.239 20 5 EEBDRM O=C([O-])[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccccn1 ZINC001608316732 1351669913 /nfs/dbraw/zinc/66/99/13/1351669913.db2.gz LDCTUBPLNYBKGH-HNNXBMFYSA-N -1 0 347.302 2.004 20 5 EEBDRM O=C([O-])[C@H]1CSCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001608649390 1351733175 /nfs/dbraw/zinc/73/31/75/1351733175.db2.gz BUPHYFQNEJDGCX-SNVBAGLBSA-N -1 0 330.793 2.498 20 5 EEBDRM O=C([O-])CN(CCC(F)(F)F)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001608744691 1351754318 /nfs/dbraw/zinc/75/43/18/1351754318.db2.gz UMJCBBQWAPVKLP-UTCJRWHESA-N -1 0 346.261 2.474 20 5 EEBDRM O=C([O-])c1cc(NC(=O)c2c3c(ccc2F)OCO3)cc([N+](=O)[O-])c1 ZINC001608855614 1351779686 /nfs/dbraw/zinc/77/96/86/1351779686.db2.gz ZQAYXLMIUONPOT-UHFFFAOYSA-N -1 0 348.242 2.413 20 5 EEBDRM O=C([O-])c1ccc(Cn2cnc3sc([N+](=O)[O-])cc3c2=O)c(F)c1 ZINC001608893762 1351788748 /nfs/dbraw/zinc/78/87/48/1351788748.db2.gz DBGXYMUUZBUGIV-UHFFFAOYSA-N -1 0 349.299 2.252 20 5 EEBDRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 ZINC001320869465 1332969031 /nfs/dbraw/zinc/96/90/31/1332969031.db2.gz LVTYRRGRWFVOSZ-UHFFFAOYSA-N -1 0 336.373 2.483 20 5 EEBDRM CC(C)(C)S(=O)(=O)[N-]C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001327864957 1334356823 /nfs/dbraw/zinc/35/68/23/1334356823.db2.gz BALOCSCIHZUKDW-UHFFFAOYSA-N -1 0 343.405 2.031 20 5 EEBDRM CC(C)[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(=O)[O-] ZINC001329950534 1334747310 /nfs/dbraw/zinc/74/73/10/1334747310.db2.gz OAXDKMNTMLXQRF-AWEZNQCLSA-N -1 0 335.360 2.019 20 5 EEBDRM CCOC(=O)[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC001332483853 1335832680 /nfs/dbraw/zinc/83/26/80/1335832680.db2.gz ZKSCWSQIYSIWCM-LLVKDONJSA-N -1 0 342.735 2.025 20 5 EEBDRM CC(C)(NC(=O)c1csc([N+](=O)[O-])c1)c1cc(C(=O)[O-])on1 ZINC001609680401 1352057765 /nfs/dbraw/zinc/05/77/65/1352057765.db2.gz LSXXCLSEMKZLRJ-UHFFFAOYSA-N -1 0 325.302 2.008 20 5 EEBDRM CC(C)[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001609717498 1352067883 /nfs/dbraw/zinc/06/78/83/1352067883.db2.gz UKWFIFLHRMXOLB-LBPRGKRZSA-N -1 0 330.337 2.051 20 5 EEBDRM CC1(C)CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCS1 ZINC001609818317 1352092991 /nfs/dbraw/zinc/09/29/91/1352092991.db2.gz HWZLDWJHEHNFOV-UHFFFAOYSA-N -1 0 340.401 2.386 20 5 EEBDRM C[C@@H]1CCCN1c1nc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2C)n1 ZINC001609853968 1352102738 /nfs/dbraw/zinc/10/27/38/1352102738.db2.gz ANWLBIQVJCRHHF-VHSXEESVSA-N -1 0 335.364 2.060 20 5 EEBDRM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cncc(C(=O)[O-])c1 ZINC001609877264 1352109508 /nfs/dbraw/zinc/10/95/08/1352109508.db2.gz MWOIRDAEASWKNH-VIFPVBQESA-N -1 0 327.296 2.279 20 5 EEBDRM CC[C@@](CNC(=O)CCC(C)(C)[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001609919089 1352119754 /nfs/dbraw/zinc/11/97/54/1352119754.db2.gz AQGLKDMAMYRTRM-KRWDZBQOSA-N -1 0 336.388 2.371 20 5 EEBDRM CCc1[nH]nc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001610057644 1352151358 /nfs/dbraw/zinc/15/13/58/1352151358.db2.gz ZGYZHLCAPMVZOS-MRVPVSSYSA-N -1 0 332.316 2.321 20 5 EEBDRM CCc1[nH]nc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)c1[N+](=O)[O-] ZINC001610056287 1352151471 /nfs/dbraw/zinc/15/14/71/1352151471.db2.gz MTTPGYSVQKOMQL-UHFFFAOYSA-N -1 0 329.272 2.296 20 5 EEBDRM CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847894992 1338368551 /nfs/dbraw/zinc/36/85/51/1338368551.db2.gz SYLNAAHJSNLPJZ-ZDUSSCGKSA-N -1 0 329.378 2.011 20 5 EEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])c(SCCCC(=O)[O-])s1 ZINC001610378012 1352213080 /nfs/dbraw/zinc/21/30/80/1352213080.db2.gz QYEHWKRNHDLKKZ-UHFFFAOYSA-N -1 0 325.389 2.017 20 5 EEBDRM O=C([O-])c1cc(NC(=O)/C=C\c2cncc(O)c2)cc([N+](=O)[O-])c1 ZINC001610650073 1352257335 /nfs/dbraw/zinc/25/73/35/1352257335.db2.gz DIACJOBTLDTGFE-UPHRSURJSA-N -1 0 329.268 2.046 20 5 EEBDRM Nc1ccc(C(=O)OCCOc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001610649312 1352257368 /nfs/dbraw/zinc/25/73/68/1352257368.db2.gz UUOUWGYDCKETSU-UHFFFAOYSA-N -1 0 346.295 2.111 20 5 EEBDRM O=C([O-])[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(O)c1 ZINC001610720135 1352264468 /nfs/dbraw/zinc/26/44/68/1352264468.db2.gz MVLIQOUIGVHZMY-CQSZACIVSA-N -1 0 338.266 2.494 20 5 EEBDRM O=C([O-])Cc1ccc(Nc2cnn(C[C@H]3CCCO3)c2)c([N+](=O)[O-])c1 ZINC001610792564 1352275384 /nfs/dbraw/zinc/27/53/84/1352275384.db2.gz QXLBYUQJJVVOSW-CYBMUJFWSA-N -1 0 346.343 2.341 20 5 EEBDRM CC(C)O[C@@H](Cn1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1)c1ccccc1 ZINC001589738586 1349025803 /nfs/dbraw/zinc/02/58/03/1349025803.db2.gz YBWQVQLDVYOAHR-ZDUSSCGKSA-N -1 0 343.347 2.138 20 5 EEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCc2c1cccc2-c1nn[nH]n1 ZINC001593482440 1349814441 /nfs/dbraw/zinc/81/44/41/1349814441.db2.gz TWMHYTOTKIYBEK-UHFFFAOYSA-N -1 0 338.327 2.043 20 5 EEBDRM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1Cc1ccc([N+](=O)[O-])cc1F ZINC001594339894 1349875541 /nfs/dbraw/zinc/87/55/41/1349875541.db2.gz LIDOSGMASIGMEY-ZAOWEBSESA-N -1 0 338.335 2.329 20 5 EEBDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001599830747 1349948569 /nfs/dbraw/zinc/94/85/69/1349948569.db2.gz ZREYVDFDGXPFDK-JTQLQIEISA-N -1 0 329.312 2.202 20 5 EEBDRM Cc1c(C(=O)[O-])csc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001600002727 1349953193 /nfs/dbraw/zinc/95/31/93/1349953193.db2.gz OSMMKELPDFORGI-UHFFFAOYSA-N -1 0 338.345 2.233 20 5 EEBDRM Cc1cc(NCc2cc3n(n2)CCCO3)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600282332 1350010750 /nfs/dbraw/zinc/01/07/50/1350010750.db2.gz KLJMRYXZJSMHPG-UHFFFAOYSA-N -1 0 332.316 2.193 20 5 EEBDRM Cc1cc(O)ccc1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600287042 1350011505 /nfs/dbraw/zinc/01/15/05/1350011505.db2.gz UHPQFOILMMIFKU-UHFFFAOYSA-N -1 0 330.296 2.488 20 5 EEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001600488215 1350063793 /nfs/dbraw/zinc/06/37/93/1350063793.db2.gz MUEKPTQMVKBPQZ-QWHCGFSZSA-N -1 0 333.344 2.478 20 5 EEBDRM Cc1nn(C)c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001600768014 1350132160 /nfs/dbraw/zinc/13/21/60/1350132160.db2.gz FMAHATVAGFNXSE-MRVPVSSYSA-N -1 0 332.316 2.077 20 5 EEBDRM Cn1nc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001601015328 1350190353 /nfs/dbraw/zinc/19/03/53/1350190353.db2.gz HKABZLPDWVFQFF-UHFFFAOYSA-N -1 0 347.331 2.083 20 5 EEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC001601216473 1350233687 /nfs/dbraw/zinc/23/36/87/1350233687.db2.gz CDFRQDOKEHXQAH-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM Nc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC001601216573 1350233737 /nfs/dbraw/zinc/23/37/37/1350233737.db2.gz HTZOOWOTLMZRLZ-LBPRGKRZSA-N -1 0 336.348 2.332 20 5 EEBDRM O=C([O-])c1c(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)nc2n1CCC2 ZINC001601241016 1350239570 /nfs/dbraw/zinc/23/95/70/1350239570.db2.gz UFYPAAMPFIASFO-YVMONPNESA-N -1 0 342.311 2.088 20 5 EEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001601283121 1350248399 /nfs/dbraw/zinc/24/83/99/1350248399.db2.gz MIEXYKCAGFPEMU-NEPJUHHUSA-N -1 0 336.344 2.123 20 5 EEBDRM O=C([O-])C1([C@@]2(O)CCCN(c3ccsc3[N+](=O)[O-])C2)CCC1 ZINC001601705264 1350343579 /nfs/dbraw/zinc/34/35/79/1350343579.db2.gz FUWOZSPCOYEGFE-CQSZACIVSA-N -1 0 326.374 2.243 20 5 EEBDRM O=C([O-])[C@H]1CCC[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC001601805910 1350368847 /nfs/dbraw/zinc/36/88/47/1350368847.db2.gz UXTVNGKNDMNNDT-ZJUUUORDSA-N -1 0 332.316 2.322 20 5 EEBDRM O=C([O-])C[C@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC001601901040 1350393330 /nfs/dbraw/zinc/39/33/30/1350393330.db2.gz WHXTWBHHGAOQTR-NSHDSACASA-N -1 0 326.736 2.160 20 5 EEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001601952588 1350404383 /nfs/dbraw/zinc/40/43/83/1350404383.db2.gz YMVZUYRHNATSGW-VIFPVBQESA-N -1 0 344.270 2.276 20 5 EEBDRM O=C([O-])CCCCCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001601984494 1350411207 /nfs/dbraw/zinc/41/12/07/1350411207.db2.gz OVPCHOHNWZVEGQ-UHFFFAOYSA-N -1 0 338.316 2.088 20 5 EEBDRM O=C([O-])CCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001601986957 1350411637 /nfs/dbraw/zinc/41/16/37/1350411637.db2.gz KVIFGJGQVJFICN-UHFFFAOYSA-N -1 0 339.300 2.168 20 5 EEBDRM O=C([O-])Cc1ccc(NC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001602137798 1350448149 /nfs/dbraw/zinc/44/81/49/1350448149.db2.gz PHVPJFZUJUCBSW-GFCCVEGCSA-N -1 0 344.323 2.474 20 5 EEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCOCC23CCCC3)cc([N+](=O)[O-])c1 ZINC001602246586 1350475571 /nfs/dbraw/zinc/47/55/71/1350475571.db2.gz IFULYRGGMAPRCQ-CQSZACIVSA-N -1 0 348.355 2.372 20 5 EEBDRM O=C([O-])c1cc(OC[C@H](O)COc2ccccc2)ccc1[N+](=O)[O-] ZINC001602288069 1350486265 /nfs/dbraw/zinc/48/62/65/1350486265.db2.gz AQCSLFDZIQRTOO-LLVKDONJSA-N -1 0 333.296 2.112 20 5 EEBDRM O=C([O-])c1ccc(-c2csc(NC(=O)[C@@H]3CC3[N+](=O)[O-])n2)cc1 ZINC001602306540 1350489373 /nfs/dbraw/zinc/48/93/73/1350489373.db2.gz BWFLSMPGQIPDDG-MWLCHTKSSA-N -1 0 333.325 2.112 20 5 EEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCOc2ccc(F)c(F)c2)n1 ZINC001602405858 1350511878 /nfs/dbraw/zinc/51/18/78/1350511878.db2.gz RQZFQVKJWRFFQN-UHFFFAOYSA-N -1 0 339.254 2.457 20 5 EEBDRM O=C([O-])c1cccc(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001602448380 1350522106 /nfs/dbraw/zinc/52/21/06/1350522106.db2.gz HZSLXNDLUBMDTJ-UHFFFAOYSA-N -1 0 341.323 2.294 20 5 EEBDRM O=C([O-])c1ccnc(N2CC(c3nc4ccccc4[nH]3)C2)c1[N+](=O)[O-] ZINC001602481482 1350529216 /nfs/dbraw/zinc/52/92/16/1350529216.db2.gz NUMPBZRAJIHUAX-UHFFFAOYSA-N -1 0 339.311 2.168 20 5 EEBDRM O=C([O-])c1cnc(Nc2ccc(N3CCCC3)nc2)c([N+](=O)[O-])c1 ZINC001602534818 1350540677 /nfs/dbraw/zinc/54/06/77/1350540677.db2.gz NYSNKCOAKNVWIX-UHFFFAOYSA-N -1 0 329.316 2.427 20 5 EEBDRM CCC(CC)(CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001604019598 1350830964 /nfs/dbraw/zinc/83/09/64/1350830964.db2.gz UMTNPETWIAMIOL-UHFFFAOYSA-N -1 0 334.336 2.078 20 5 EEBDRM C[C@H](CC(=O)[O-])C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC001604094770 1350855129 /nfs/dbraw/zinc/85/51/29/1350855129.db2.gz BOLXBVSKFRREMO-ZCFIWIBFSA-N -1 0 331.122 2.407 20 5 EEBDRM C[C@H](CNC(=O)c1csc(C(=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC001604183570 1350887424 /nfs/dbraw/zinc/88/74/24/1350887424.db2.gz LCNYETCNDZQASD-MRVPVSSYSA-N -1 0 335.341 2.283 20 5 EEBDRM C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001604272020 1350906884 /nfs/dbraw/zinc/90/68/84/1350906884.db2.gz XBZIQFGEVYQTRD-NSHDSACASA-N -1 0 338.360 2.163 20 5 EEBDRM C[C@H](NC(=O)c1ccc(NC2CC(C)(C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604315252 1350913810 /nfs/dbraw/zinc/91/38/10/1350913810.db2.gz TXGWWDBUSYYIOF-VIFPVBQESA-N -1 0 335.360 2.398 20 5 EEBDRM C[C@H](NC(=O)c1ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001604315277 1350913907 /nfs/dbraw/zinc/91/39/07/1350913907.db2.gz VACQTGVJWACYES-LFSVMHDDSA-N -1 0 347.371 2.398 20 5 EEBDRM C[C@](NCc1cnc(Cl)cn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604349448 1350921773 /nfs/dbraw/zinc/92/17/73/1350921773.db2.gz UJTQRMLODOSUCT-CQSZACIVSA-N -1 0 336.735 2.128 20 5 EEBDRM CCNc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC001605501623 1351173063 /nfs/dbraw/zinc/17/30/63/1351173063.db2.gz UNRHLWRMSVHRIC-VIFPVBQESA-N -1 0 349.265 2.162 20 5 EEBDRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001605620389 1351202476 /nfs/dbraw/zinc/20/24/76/1351202476.db2.gz GKPIYFZDNMHKMP-GFCCVEGCSA-N -1 0 344.751 2.118 20 5 EEBDRM CCO[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001605651923 1351210091 /nfs/dbraw/zinc/21/00/91/1351210091.db2.gz DWVNFQGTFXMTSM-NSHDSACASA-N -1 0 337.332 2.244 20 5 EEBDRM CO[C@H]1CC[C@@H]1N(C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001606737766 1351349609 /nfs/dbraw/zinc/34/96/09/1351349609.db2.gz ZBYVFMRSXSQGHS-AAEUAGOBSA-N -1 0 337.332 2.243 20 5 EEBDRM COCc1nc(OC)cc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC001606978478 1351390752 /nfs/dbraw/zinc/39/07/52/1351390752.db2.gz YGBOKIHOUGYKOJ-UHFFFAOYSA-N -1 0 335.272 2.030 20 5 EEBDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001607245429 1351457681 /nfs/dbraw/zinc/45/76/81/1351457681.db2.gz HGUWFZVAEYBYCD-CLTKARDFSA-N -1 0 344.279 2.315 20 5 EEBDRM COc1cccc(C[C@@H]([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001607321444 1351473104 /nfs/dbraw/zinc/47/31/04/1351473104.db2.gz GQSLDHWNOKHSDF-OAHLLOKOSA-N -1 0 346.339 2.095 20 5 EEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)c1 ZINC001607410686 1351489815 /nfs/dbraw/zinc/48/98/15/1351489815.db2.gz JQYNQFIAJJLQQK-UHFFFAOYSA-N -1 0 349.324 2.368 20 5 EEBDRM Cc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2F)c(N)c([N+](=O)[O-])c1 ZINC001607579264 1351519354 /nfs/dbraw/zinc/51/93/54/1351519354.db2.gz CMVPEMHJAMLCSI-UHFFFAOYSA-N -1 0 347.302 2.253 20 5 EEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2cnn(-c3ccccn3)c2)n1 ZINC001607587834 1351520197 /nfs/dbraw/zinc/52/01/97/1351520197.db2.gz QBGQGRKAWZAMCJ-UHFFFAOYSA-N -1 0 340.299 2.321 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(C(=O)[O-])c[nH]1 ZINC001607864220 1351574204 /nfs/dbraw/zinc/57/42/04/1351574204.db2.gz MGODXGJZDCLDHN-UHFFFAOYSA-N -1 0 336.329 2.055 20 5 EEBDRM Cc1cnc(OCC(=O)Nc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001607911150 1351584894 /nfs/dbraw/zinc/58/48/94/1351584894.db2.gz ZWVXAXJDERTGHL-UHFFFAOYSA-N -1 0 331.284 2.014 20 5 EEBDRM Cn1ncc([N+](=O)[O-])c1NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001608159685 1351637802 /nfs/dbraw/zinc/63/78/02/1351637802.db2.gz UNYLNDLPJLULDA-UHFFFAOYSA-N -1 0 334.332 2.184 20 5 EEBDRM Nc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC001608273145 1351660662 /nfs/dbraw/zinc/66/06/62/1351660662.db2.gz TXWUZJUZGJYANA-UHFFFAOYSA-N -1 0 334.259 2.371 20 5 EEBDRM CCNC(=O)c1ccc(OC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000781092173 1371188580 /nfs/dbraw/zinc/18/85/80/1371188580.db2.gz RSNHIXNGYMHCCH-UHFFFAOYSA-N -1 0 330.296 2.269 20 5 EEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000796719888 1371460414 /nfs/dbraw/zinc/46/04/14/1371460414.db2.gz IVDLSVSDRPGDMT-UHFFFAOYSA-N -1 0 348.380 2.259 20 5 EEBDRM O=C([N-]O[C@@H]1CCCCO1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580911 1373158629 /nfs/dbraw/zinc/15/86/29/1373158629.db2.gz FRXXZQIHVCUTRD-LLVKDONJSA-N -1 0 332.259 2.141 20 5 EEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000084460682 791127224 /nfs/dbraw/zinc/12/72/24/791127224.db2.gz MAPWUVGVZAXLNX-UHFFFAOYSA-N -1 0 330.753 2.091 20 5 EEBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1C ZINC000112494602 786064468 /nfs/dbraw/zinc/06/44/68/786064468.db2.gz AZVQGRMZOQLVCM-JTQLQIEISA-N -1 0 328.390 2.399 20 5 EEBDRM CN(C[C@]1(O)CCc2ccccc21)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000843954284 788752839 /nfs/dbraw/zinc/75/28/39/788752839.db2.gz KNSDOMNJIVASIM-GOSISDBHSA-N -1 0 342.351 2.206 20 5 EEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CC1(Cl)Cl ZINC000915361278 795931738 /nfs/dbraw/zinc/93/17/38/795931738.db2.gz FXSPVGIQOXYZRY-QMMMGPOBSA-N -1 0 339.200 2.375 20 5 EEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000154157045 797868387 /nfs/dbraw/zinc/86/83/87/797868387.db2.gz LKIZIANBGFVPMN-YMTOWFKASA-N -1 0 334.303 2.291 20 5 EEBDRM Cc1c[nH]cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916752817 797880698 /nfs/dbraw/zinc/88/06/98/797880698.db2.gz COHWJJPPGSKSNW-UHFFFAOYSA-N -1 0 343.748 2.003 20 5 EEBDRM CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000791815216 809430625 /nfs/dbraw/zinc/43/06/25/809430625.db2.gz APPDJNIPWPCTQW-ZETCQYMHSA-N -1 0 349.796 2.072 20 5 EEBDRM O=C(NCC(F)(F)Br)c1cc([N+](=O)[O-])ccc1[O-] ZINC000805246660 811189690 /nfs/dbraw/zinc/18/96/90/811189690.db2.gz IZBOVYATAZTQLB-UHFFFAOYSA-N -1 0 325.065 2.018 20 5 EEBDRM O=C(NCC(F)(F)Br)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000805246292 811189856 /nfs/dbraw/zinc/18/98/56/811189856.db2.gz TYEZWAMESJTEPC-UHFFFAOYSA-N -1 0 325.065 2.018 20 5 EEBDRM O=c1[n-]c([C@@H]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000808776738 812848323 /nfs/dbraw/zinc/84/83/23/812848323.db2.gz BKEAMBFTNIEXFU-SNVBAGLBSA-N -1 0 337.767 2.452 20 5 EEBDRM C[C@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001589344153 954038136 /nfs/dbraw/zinc/03/81/36/954038136.db2.gz MIPQEZJWQYIBLE-WCBMZHEXSA-N -1 0 325.296 2.308 20 5 EEBDRM Cn1cc([N+](=O)[O-])c(N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC001594548304 955697455 /nfs/dbraw/zinc/69/74/55/955697455.db2.gz KCDJMIKIKZTBOD-UHFFFAOYSA-N -1 0 330.344 2.411 20 5 EEBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000852947137 955865309 /nfs/dbraw/zinc/86/53/09/955865309.db2.gz JGFBHZPPQIVWQI-GFCCVEGCSA-N -1 0 326.736 2.317 20 5 EEBDRM C[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001603174316 972271901 /nfs/dbraw/zinc/27/19/01/972271901.db2.gz HXCNTARNAPCCAF-YRGRVCCFSA-N -1 0 349.387 2.451 20 5 EEBDRM C[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(=O)[O-] ZINC001603191377 972291600 /nfs/dbraw/zinc/29/16/00/972291600.db2.gz QYYIJOZIHIXCRB-SNVBAGLBSA-N -1 0 329.312 2.107 20 5 EEBDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852944394 969293910 /nfs/dbraw/zinc/29/39/10/969293910.db2.gz LSRUDTBLTWCFGM-AWEZNQCLSA-N -1 0 326.736 2.365 20 5 EEBDRM O=C([O-])c1ccc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)cn1 ZINC001605877940 972655810 /nfs/dbraw/zinc/65/58/10/972655810.db2.gz SXRUTDWYNJXTPR-UHFFFAOYSA-N -1 0 338.279 2.489 20 5 EEBDRM Cc1c(Br)cc(C(=O)NC[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001605066333 972693312 /nfs/dbraw/zinc/69/33/12/972693312.db2.gz FCYFGYUKKMNQHG-ZCFIWIBFSA-N -1 0 345.149 2.116 20 5 EEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001605421393 973446391 /nfs/dbraw/zinc/44/63/91/973446391.db2.gz WGAPQWNOKABZRZ-HUUCEWRRSA-N -1 0 341.323 2.341 20 5 EEBDRM O=C([O-])c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[nH]n1 ZINC001606464494 973919079 /nfs/dbraw/zinc/91/90/79/973919079.db2.gz BXJVELKADPRLBR-UHFFFAOYSA-N -1 0 330.300 2.077 20 5 EEBDRM CCC(CC)(C(=O)[O-])C(=O)COc1cc([N+](=O)[O-])ccc1OC ZINC001595045225 979252368 /nfs/dbraw/zinc/25/23/68/979252368.db2.gz IABZOYPQDFQAJV-UHFFFAOYSA-N -1 0 325.317 2.442 20 5 EEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])no1 ZINC001595212400 980000018 /nfs/dbraw/zinc/00/00/18/980000018.db2.gz OHYVQUPDGRLSNO-SNVBAGLBSA-N -1 0 333.300 2.488 20 5 EEBDRM