smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182817672 1125637495 /nfs/dbraw/zinc/63/74/95/1125637495.db2.gz CEPJUHIPPGBYCA-WFASDCNBSA-N 0 1 368.359 4.208 20 5 FIBDMN O=[N+]([O-])c1cc(Nc2ccc(Br)c3cnccc23)ccc1O ZINC001210397535 1081358271 /nfs/dbraw/zinc/35/82/71/1081358271.db2.gz FCPJGFIXCQUYKE-UHFFFAOYSA-N 0 1 360.167 4.355 20 5 FIBDMN CCN(CC[N+](=O)[O-])Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC001167402551 1081953336 /nfs/dbraw/zinc/95/33/36/1081953336.db2.gz ZCALQBHOZBIFBK-UHFFFAOYSA-N 0 1 356.466 4.289 20 5 FIBDMN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](CC)c1ccccc1 ZINC001625865634 1081983750 /nfs/dbraw/zinc/98/37/50/1081983750.db2.gz AWXJEIBVRRIIPE-OAHLLOKOSA-N 0 1 358.442 4.445 20 5 FIBDMN Cc1c(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cccc1[N+](=O)[O-] ZINC000580638287 1082059838 /nfs/dbraw/zinc/05/98/38/1082059838.db2.gz MRIXAMYJZHKZBG-UHFFFAOYSA-N 0 1 373.372 4.094 20 5 FIBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000610476341 1082300742 /nfs/dbraw/zinc/30/07/42/1082300742.db2.gz OKXFMBDBWPSEGS-PXNSSMCTSA-N 0 1 358.413 4.334 20 5 FIBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000588441116 1083076715 /nfs/dbraw/zinc/07/67/15/1083076715.db2.gz XOYZAPMHOGVLPT-NTMALXAHSA-N 0 1 372.331 4.451 20 5 FIBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1c(F)cc(F)c(F)c1F ZINC000430749127 1083147363 /nfs/dbraw/zinc/14/73/63/1083147363.db2.gz TZFQNBQZCGRGMN-JTQLQIEISA-N 0 1 356.319 4.262 20 5 FIBDMN Cc1c(CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)cccc1[N+](=O)[O-] ZINC000477741222 1083201534 /nfs/dbraw/zinc/20/15/34/1083201534.db2.gz HVFYZKOKCYFZDR-OAHLLOKOSA-N 0 1 365.355 4.484 20 5 FIBDMN CC(C)(C)c1nc(CSc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000430974860 1083274641 /nfs/dbraw/zinc/27/46/41/1083274641.db2.gz FKRYUQVQESMDEP-UHFFFAOYSA-N 0 1 371.260 4.065 20 5 FIBDMN COc1ccc([C@H](NCc2cc(O)ccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000610786229 1083506434 /nfs/dbraw/zinc/50/64/34/1083506434.db2.gz PEOINIKXQMTBIR-OAQYLSRUSA-N 0 1 364.401 4.188 20 5 FIBDMN COCCOc1cc(C)ccc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167633271 1083930766 /nfs/dbraw/zinc/93/07/66/1083930766.db2.gz XBJFWZHKHCNTOG-MRXNPFEDSA-N 0 1 358.438 4.088 20 5 FIBDMN Cc1cc(C)cc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000538204702 1084022644 /nfs/dbraw/zinc/02/26/44/1084022644.db2.gz MELQWHMXZOFSRQ-ZDUSSCGKSA-N 0 1 361.829 4.154 20 5 FIBDMN Cc1sc(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000119682672 1084329471 /nfs/dbraw/zinc/32/94/71/1084329471.db2.gz JYBKZCHWXXJPAM-UHFFFAOYSA-N 0 1 371.422 4.126 20 5 FIBDMN Cc1c(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000071958739 1084413602 /nfs/dbraw/zinc/41/36/02/1084413602.db2.gz YCIDUGZPELOFFU-LJQANCHMSA-N 0 1 358.413 4.224 20 5 FIBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000263509790 1084587782 /nfs/dbraw/zinc/58/77/82/1084587782.db2.gz NAYMMWVSYCLQGC-JLSDUUJJSA-N 0 1 370.405 4.073 20 5 FIBDMN C[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173271631 1084609491 /nfs/dbraw/zinc/60/94/91/1084609491.db2.gz DMGIOENRUCKRAA-CHWSQXEVSA-N 0 1 353.378 4.019 20 5 FIBDMN CCc1ccc([C@H](NC[C@@H]2C[C@@H](C)O[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414255455 1084918758 /nfs/dbraw/zinc/91/87/58/1084918758.db2.gz JPPLDZIMMUXBJF-DHYLWCPWSA-N 0 1 358.438 4.243 20 5 FIBDMN CCC(C)(C)OCc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000478582840 1084967227 /nfs/dbraw/zinc/96/72/27/1084967227.db2.gz HVOVWRLBOHGPDQ-UHFFFAOYSA-N 0 1 358.394 4.258 20 5 FIBDMN Cc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCOC2)c1 ZINC000124942792 1085219771 /nfs/dbraw/zinc/21/97/71/1085219771.db2.gz DBVZPGSFHCQPHX-DLBZAZTESA-N 0 1 370.449 4.169 20 5 FIBDMN O=[N+]([O-])c1cc(CN2CCN(Cc3cccc4ccccc43)CC2)cs1 ZINC000108203989 1085473278 /nfs/dbraw/zinc/47/32/78/1085473278.db2.gz WZNNDWKEKJJLTE-UHFFFAOYSA-N 0 1 367.474 4.127 20 5 FIBDMN CC(C)C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000108675545 1085532229 /nfs/dbraw/zinc/53/22/29/1085532229.db2.gz VZAIXDDRJILKBP-CQSZACIVSA-N 0 1 358.423 4.050 20 5 FIBDMN CSc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681516 1085778909 /nfs/dbraw/zinc/77/89/09/1085778909.db2.gz VAJZWUHIPNHUJN-ZIAGYGMSSA-N 0 1 373.478 4.303 20 5 FIBDMN CC(C)c1ccc(CNCc2ccnc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000078890175 1085937576 /nfs/dbraw/zinc/93/75/76/1085937576.db2.gz ZBEDUGHTXDFHHK-UHFFFAOYSA-N 0 1 354.454 4.003 20 5 FIBDMN CC(C)CC(=O)Nc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000583273628 1086508809 /nfs/dbraw/zinc/50/88/09/1086508809.db2.gz WJPQSEXXDLYVKS-IBGZPJMESA-N 0 1 367.449 4.357 20 5 FIBDMN CCCN(Cc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728897376 1086869468 /nfs/dbraw/zinc/86/94/68/1086869468.db2.gz ZKACOWMWIKBTSG-UHFFFAOYSA-N 0 1 350.422 4.328 20 5 FIBDMN CC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1 ZINC000024253319 1087445859 /nfs/dbraw/zinc/44/58/59/1087445859.db2.gz STYJYKQFRHMMSG-QGZVFWFLSA-N 0 1 362.813 4.356 20 5 FIBDMN Cc1cccc(C(C)C)c1NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180402083 1087886636 /nfs/dbraw/zinc/88/66/36/1087886636.db2.gz ISJKDSNHFFLCJX-HNNXBMFYSA-N 0 1 355.438 4.316 20 5 FIBDMN C[C@@H](N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180398091 1087896471 /nfs/dbraw/zinc/89/64/71/1087896471.db2.gz WNAYCTIKNMJVPM-JKIFEVAISA-N 0 1 373.478 4.059 20 5 FIBDMN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180562525 1087969516 /nfs/dbraw/zinc/96/95/16/1087969516.db2.gz XKDLLMIOKXKWBX-HZPDHXFCSA-N 0 1 372.318 4.051 20 5 FIBDMN CCc1nc(CN[C@@H](CC)CSc2ccccc2[N+](=O)[O-])cs1 ZINC000504905555 1087976099 /nfs/dbraw/zinc/97/60/99/1087976099.db2.gz KESCIUIMDWKAQG-LBPRGKRZSA-N 0 1 351.497 4.274 20 5 FIBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000181315449 1088302880 /nfs/dbraw/zinc/30/28/80/1088302880.db2.gz ICYJZUWTSABGFS-MNOVXSKESA-N 0 1 370.375 4.382 20 5 FIBDMN Cc1cccc2nc(C3CCN(Cc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000189804786 1088639952 /nfs/dbraw/zinc/63/99/52/1088639952.db2.gz RIEPOXIEMKUGBI-UHFFFAOYSA-N 0 1 351.406 4.424 20 5 FIBDMN Cn1ccnc1[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000514092675 1088741086 /nfs/dbraw/zinc/74/10/86/1088741086.db2.gz GCSNKFHXDCFUCH-QQTQMKHKSA-N 0 1 368.481 4.366 20 5 FIBDMN CO[C@@](C)([C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414500568 1088810135 /nfs/dbraw/zinc/81/01/35/1088810135.db2.gz LXMUNDDJJZFQIR-SGTLLEGYSA-N 0 1 361.467 4.012 20 5 FIBDMN O=[N+]([O-])c1ccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c(Cl)c1 ZINC000425367215 1089599915 /nfs/dbraw/zinc/59/99/15/1089599915.db2.gz BQEARCRHZCHXGF-KRWDZBQOSA-N 0 1 350.846 4.029 20 5 FIBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000101593648 1089806618 /nfs/dbraw/zinc/80/66/18/1089806618.db2.gz LLNNPRXBIAVIBI-MRXNPFEDSA-N 0 1 363.417 4.420 20 5 FIBDMN CCOc1ccc2nc(SCc3ccc(OC)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000515288352 1089935786 /nfs/dbraw/zinc/93/57/86/1089935786.db2.gz OUJSUDXTZNGYDR-UHFFFAOYSA-N 0 1 359.407 4.171 20 5 FIBDMN C[Si](C)(C)c1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001167734188 1090264531 /nfs/dbraw/zinc/26/45/31/1090264531.db2.gz KHOKURVNSVNARI-UHFFFAOYSA-N 0 1 354.526 4.305 20 5 FIBDMN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc21 ZINC000378404301 1090350430 /nfs/dbraw/zinc/35/04/30/1090350430.db2.gz PFFPFFVVURQDDS-KBXCAEBGSA-N 0 1 353.422 4.052 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000014207160 1090381439 /nfs/dbraw/zinc/38/14/39/1090381439.db2.gz VHMMSTWUKAOUPR-UHFFFAOYSA-N 0 1 356.769 4.199 20 5 FIBDMN COc1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1OC ZINC000417331399 1090820222 /nfs/dbraw/zinc/82/02/22/1090820222.db2.gz WDUPTNMARVDADF-GOSISDBHSA-N 0 1 356.422 4.169 20 5 FIBDMN COc1ccc2c(c1)[C@@H](N[C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000417347740 1090835787 /nfs/dbraw/zinc/83/57/87/1090835787.db2.gz WRGABGVEZVLFGI-PMACEKPBSA-N 0 1 368.433 4.484 20 5 FIBDMN CSc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000500267262 1091174259 /nfs/dbraw/zinc/17/42/59/1091174259.db2.gz DNIXDLULFDQHCQ-UONOGXRCSA-N 0 1 373.478 4.303 20 5 FIBDMN CCc1ccc([C@@H](NCCCC(C)(C)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541544911 1091191504 /nfs/dbraw/zinc/19/15/04/1091191504.db2.gz GVIRAYGTIUSTOO-IBGZPJMESA-N 0 1 360.454 4.228 20 5 FIBDMN O=C(Nc1ccccc1Oc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432591431 1091969427 /nfs/dbraw/zinc/96/94/27/1091969427.db2.gz HZJOHUVVYLWGER-UHFFFAOYSA-N 0 1 350.330 4.345 20 5 FIBDMN O=C(Nc1ccc(Cl)cc1-c1ccccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001270997601 1092314600 /nfs/dbraw/zinc/31/46/00/1092314600.db2.gz BXUXJQJAYJPNKN-IUODEOHRSA-N 0 1 351.189 4.264 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000520861072 1092318097 /nfs/dbraw/zinc/31/80/97/1092318097.db2.gz NMQPSTIPUJRIAQ-UHFFFAOYSA-N 0 1 362.345 4.292 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H](c4ccccc4)C3)o2)cc1 ZINC000433049558 1093159566 /nfs/dbraw/zinc/15/95/66/1093159566.db2.gz VUTUMCFQSKEUOC-KRWDZBQOSA-N 0 1 364.405 4.024 20 5 FIBDMN CC1(C)C[C@@H](NCc2ccc3c(n2)CCCC3)c2cc([N+](=O)[O-])ccc21 ZINC000433099926 1093243735 /nfs/dbraw/zinc/24/37/35/1093243735.db2.gz KTSZMAKLVTZHBS-HXUWFJFHSA-N 0 1 351.450 4.381 20 5 FIBDMN CCOc1cc(CN2CCC(c3ncc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000433167456 1093357342 /nfs/dbraw/zinc/35/73/42/1093357342.db2.gz NFZJKFLBQZXEMR-UHFFFAOYSA-N 0 1 361.467 4.138 20 5 FIBDMN CC1(C)C[C@@H](NC2(c3ccc4c(c3)OCO4)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433230600 1093455726 /nfs/dbraw/zinc/45/57/26/1093455726.db2.gz VOBUUIBMCYEPFY-QGZVFWFLSA-N 0 1 366.417 4.325 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419326754 1093639501 /nfs/dbraw/zinc/63/95/01/1093639501.db2.gz CJFZRZZIOOVKBB-AWEZNQCLSA-N 0 1 353.422 4.070 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419326755 1093639729 /nfs/dbraw/zinc/63/97/29/1093639729.db2.gz CJFZRZZIOOVKBB-CQSZACIVSA-N 0 1 353.422 4.070 20 5 FIBDMN COc1ccc(OC(F)F)c(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000151692429 1093846795 /nfs/dbraw/zinc/84/67/95/1093846795.db2.gz GXVGIASOPTVODA-LLVKDONJSA-N 0 1 352.337 4.056 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000513124097 1093861990 /nfs/dbraw/zinc/86/19/90/1093861990.db2.gz ZFSVLBQLXAPVHB-ZLHKHBAESA-N 0 1 366.417 4.216 20 5 FIBDMN Cc1nn(-c2ccccc2)cc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000542827136 1093900960 /nfs/dbraw/zinc/90/09/60/1093900960.db2.gz MSJWNFVVJDUGHA-MRXNPFEDSA-N 0 1 350.422 4.248 20 5 FIBDMN CC(C)CC1(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000513698190 1094361439 /nfs/dbraw/zinc/36/14/39/1094361439.db2.gz XLQMLRWDRWXVHG-SFHVURJKSA-N 0 1 356.470 4.224 20 5 FIBDMN O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000413382612 1095010319 /nfs/dbraw/zinc/01/03/19/1095010319.db2.gz ZDKYYHFIGYJHIQ-HNNXBMFYSA-N 0 1 357.801 4.251 20 5 FIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000143129876 1095642206 /nfs/dbraw/zinc/64/22/06/1095642206.db2.gz LYNUVFIJAPTKDI-KRWDZBQOSA-N 0 1 365.393 4.149 20 5 FIBDMN O=[N+]([O-])c1cc(CN[C@@H](c2cncc(F)c2)C2CC2)cc(C(F)(F)F)c1 ZINC000281577659 1095655968 /nfs/dbraw/zinc/65/59/68/1095655968.db2.gz KUUXEFCQRFHMKE-MRXNPFEDSA-N 0 1 369.318 4.389 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503411793 1096390915 /nfs/dbraw/zinc/39/09/15/1096390915.db2.gz JMIXDNUGYNKXJC-ORAYPTAESA-N 0 1 373.840 4.020 20 5 FIBDMN Cc1ccc([C@@H](C)N[C@H]2CC(C)(C)Oc3ccc(N)cc32)cc1[N+](=O)[O-] ZINC000423429851 1096682986 /nfs/dbraw/zinc/68/29/86/1096682986.db2.gz SZJLLGBHHNLIGK-DYVFJYSZSA-N 0 1 355.438 4.438 20 5 FIBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000533290855 1098939631 /nfs/dbraw/zinc/93/96/31/1098939631.db2.gz SYNAJCITDRVXRZ-NUJGCVRESA-N 0 1 367.449 4.047 20 5 FIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425548226 1099009802 /nfs/dbraw/zinc/00/98/02/1099009802.db2.gz GLZJVEYIIBENOM-HXUWFJFHSA-N 0 1 374.481 4.163 20 5 FIBDMN CCOc1cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1O ZINC000459524374 1100273251 /nfs/dbraw/zinc/27/32/51/1100273251.db2.gz UAZPJGIFTCUWOK-UHFFFAOYSA-N 0 1 370.327 4.008 20 5 FIBDMN CC(=O)N1CC[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc21 ZINC000536843489 1100355780 /nfs/dbraw/zinc/35/57/80/1100355780.db2.gz FLDCZTPRDPQXGJ-IFXJQAMLSA-N 0 1 353.422 4.052 20 5 FIBDMN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000537177870 1101519825 /nfs/dbraw/zinc/51/98/25/1101519825.db2.gz AFDIFWGWUIUPBQ-CYBMUJFWSA-N 0 1 361.829 4.154 20 5 FIBDMN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000537177871 1101520573 /nfs/dbraw/zinc/52/05/73/1101520573.db2.gz AFDIFWGWUIUPBQ-ZDUSSCGKSA-N 0 1 361.829 4.154 20 5 FIBDMN COc1cc([C@@H](C)NCc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000171127962 1102406695 /nfs/dbraw/zinc/40/66/95/1102406695.db2.gz DYXWYWJDNPORCP-LLVKDONJSA-N 0 1 352.337 4.056 20 5 FIBDMN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000550228279 1102791764 /nfs/dbraw/zinc/79/17/64/1102791764.db2.gz PZTOOMCGSUIYNI-ZIAGYGMSSA-N 0 1 354.385 4.331 20 5 FIBDMN Cc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)o1 ZINC000426802111 1102999218 /nfs/dbraw/zinc/99/92/18/1102999218.db2.gz XHMNYEVRZJAJGE-OAHLLOKOSA-N 0 1 370.361 4.062 20 5 FIBDMN CCOCc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1OC ZINC000507175586 1103176817 /nfs/dbraw/zinc/17/68/17/1103176817.db2.gz WLDREKJITINMLL-UHFFFAOYSA-N 0 1 370.449 4.305 20 5 FIBDMN CCOCc1cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1OC ZINC000507175586 1103176829 /nfs/dbraw/zinc/17/68/29/1103176829.db2.gz 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1111420854 /nfs/dbraw/zinc/42/08/54/1111420854.db2.gz IFFYJZDDUSACDB-GWCFXTLKSA-N 0 1 350.465 4.380 20 5 FIBDMN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cccc(Cl)c1 ZINC000539229377 1111474695 /nfs/dbraw/zinc/47/46/95/1111474695.db2.gz HCFSPOLPBNKUHO-MRXNPFEDSA-N 0 1 361.829 4.236 20 5 FIBDMN Cc1cc(N2Cc3ccc(O)cc3C3(CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462100476 1111492685 /nfs/dbraw/zinc/49/26/85/1111492685.db2.gz VPJSYRSZJLGBAR-UHFFFAOYSA-N 0 1 361.401 4.209 20 5 FIBDMN C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000552048380 1111557508 /nfs/dbraw/zinc/55/75/08/1111557508.db2.gz QUHUAPBTEMADKD-DNVCBOLYSA-N 0 1 356.470 4.224 20 5 FIBDMN CCC1(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000552284018 1111647420 /nfs/dbraw/zinc/64/74/20/1111647420.db2.gz PEFXXWDEVPMUKP-SFHVURJKSA-N 0 1 356.470 4.368 20 5 FIBDMN Cc1c(CN[C@H](C)c2ccc(F)cc2OC(F)F)cccc1[N+](=O)[O-] ZINC000478489137 1111792166 /nfs/dbraw/zinc/79/21/66/1111792166.db2.gz MAYBMBXMBIMRCN-LLVKDONJSA-N 0 1 354.328 4.495 20 5 FIBDMN C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000553175001 1111920828 /nfs/dbraw/zinc/92/08/28/1111920828.db2.gz PBWWWHGMDHIBDI-FZKQIMNGSA-N 0 1 364.405 4.085 20 5 FIBDMN CCOc1cc(CN[C@@H](C)c2ccc(OC)c(OC)c2C)ccc1[N+](=O)[O-] ZINC000553960913 1112137983 /nfs/dbraw/zinc/13/79/83/1112137983.db2.gz OVVZAHRSYXFLQD-AWEZNQCLSA-N 0 1 374.437 4.170 20 5 FIBDMN Cc1c(CNCc2cccc(C(=O)OC(C)(C)C)c2)cccc1[N+](=O)[O-] ZINC000480479684 1112440615 /nfs/dbraw/zinc/44/06/15/1112440615.db2.gz IGHFTPRHWVSEBV-UHFFFAOYSA-N 0 1 356.422 4.148 20 5 FIBDMN Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1cccc([N+](=O)[O-])c1C ZINC000480497428 1112448081 /nfs/dbraw/zinc/44/80/81/1112448081.db2.gz LLHSGGGRCQOANV-UHFFFAOYSA-N 0 1 368.412 4.135 20 5 FIBDMN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000555626560 1112948338 /nfs/dbraw/zinc/94/83/38/1112948338.db2.gz MUKXBCSGSOLMHG-UONOGXRCSA-N 0 1 354.385 4.331 20 5 FIBDMN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482697822 1113334574 /nfs/dbraw/zinc/33/45/74/1113334574.db2.gz WJYGMSIRVVESSF-HUUCEWRRSA-N 0 1 350.422 4.158 20 5 FIBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3ccc(Cl)cc3)C2)c2c(c1)COCO2 ZINC000111306885 1113348878 /nfs/dbraw/zinc/34/88/78/1113348878.db2.gz KNSHXKUFNQWIHP-AWEZNQCLSA-N 0 1 374.824 4.104 20 5 FIBDMN Cc1ccc([C@H](C)NCc2ccc(N3CCC(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000160483202 1113391222 /nfs/dbraw/zinc/39/12/22/1113391222.db2.gz NFHCIKMVDQRHRF-KRWDZBQOSA-N 0 1 368.481 4.385 20 5 FIBDMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)n[nH]1 ZINC000486679424 1113621256 /nfs/dbraw/zinc/62/12/56/1113621256.db2.gz VGQAVORPTQKZFW-QWHCGFSZSA-N 0 1 369.425 4.337 20 5 FIBDMN O=[N+]([O-])c1cccc([C@@H](NCCn2cnc3ccccc32)c2ccccc2)c1 ZINC000490184512 1114225659 /nfs/dbraw/zinc/22/56/59/1114225659.db2.gz LDXOLPGUZRXTKI-QFIPXVFZSA-N 0 1 372.428 4.324 20 5 FIBDMN CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=S)[C@H]1CCc2ccccc21 ZINC000029312874 1114278462 /nfs/dbraw/zinc/27/84/62/1114278462.db2.gz MSUQMAAJIHTWRP-HNNXBMFYSA-N 0 1 355.419 4.449 20 5 FIBDMN COc1cc(CN2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000491095628 1114373338 /nfs/dbraw/zinc/37/33/38/1114373338.db2.gz ZUODJRRRWWCVLY-GXTWGEPZSA-N 0 1 370.396 4.012 20 5 FIBDMN Cn1ncc2ccc(CN[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cc21 ZINC000589727756 1114834756 /nfs/dbraw/zinc/83/47/56/1114834756.db2.gz CETPIVGLARORRC-QFIPXVFZSA-N 0 1 372.428 4.361 20 5 FIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2ccccn2)C1 ZINC000590599965 1114952259 /nfs/dbraw/zinc/95/22/59/1114952259.db2.gz HSHJYEKTHYESHK-INIZCTEOSA-N 0 1 355.438 4.157 20 5 FIBDMN O=[N+]([O-])c1ccccc1CN(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000045841492 1115094854 /nfs/dbraw/zinc/09/48/54/1115094854.db2.gz NCWLGSIRDZFGJC-UHFFFAOYSA-N 0 1 354.406 4.268 20 5 FIBDMN O=[N+]([O-])c1ccccc1CN(Cc1cccc(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000592130351 1115204703 /nfs/dbraw/zinc/20/47/03/1115204703.db2.gz DSUXWOFIWFGZQA-WGSAOQKQSA-N 0 1 358.413 4.040 20 5 FIBDMN COCCCOc1cc(C)ccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000167240622 1115221767 /nfs/dbraw/zinc/22/17/67/1115221767.db2.gz QHWVFTGCCJMVPX-QGZVFWFLSA-N 0 1 372.465 4.478 20 5 FIBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000593076377 1115299454 /nfs/dbraw/zinc/29/94/54/1115299454.db2.gz AQUIYARPYGOWDD-GLJUWKHASA-N 0 1 370.453 4.117 20 5 FIBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H](C3CC3)[C@@H]3CCCCO3)cs2)c1 ZINC000594509472 1115456619 /nfs/dbraw/zinc/45/66/19/1115456619.db2.gz ISVARTBNRFDDNR-ZWKOTPCHSA-N 0 1 373.478 4.156 20 5 FIBDMN COC[C@H](C)Oc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000594943932 1115501254 /nfs/dbraw/zinc/50/12/54/1115501254.db2.gz MIRHYQIPLDKVBW-HNNXBMFYSA-N 0 1 358.438 4.033 20 5 FIBDMN COc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c2ccccc2n1 ZINC000595023953 1115504902 /nfs/dbraw/zinc/50/49/02/1115504902.db2.gz CZGDTBSMLYVQPZ-ZDUSSCGKSA-N 0 1 367.405 4.011 20 5 FIBDMN Cc1ccc([C@@H](C)NCc2ccc(OC(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000168466536 1115505901 /nfs/dbraw/zinc/50/59/01/1115505901.db2.gz WIDGTBDWJWJXLB-LLVKDONJSA-N 0 1 354.328 4.495 20 5 FIBDMN COc1ccc([C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000595002957 1115506756 /nfs/dbraw/zinc/50/67/56/1115506756.db2.gz COQFJNDCWIDMOJ-RBZFPXEDSA-N 0 1 356.422 4.414 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccccc1COC(C)C ZINC000595005189 1115507364 /nfs/dbraw/zinc/50/73/64/1115507364.db2.gz DTIGOUZQNGFRTC-HNNXBMFYSA-N 0 1 358.438 4.379 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cccc(C(F)(F)F)c1 ZINC000595008900 1115507927 /nfs/dbraw/zinc/50/79/27/1115507927.db2.gz XNWLZZVREOVRMO-LLVKDONJSA-N 0 1 354.328 4.473 20 5 FIBDMN CCOc1ccc([C@@H](C)NCc2cc(COC)cs2)cc1[N+](=O)[O-] ZINC000595077856 1115517089 /nfs/dbraw/zinc/51/70/89/1115517089.db2.gz QQYMPIMIMBWBHF-GFCCVEGCSA-N 0 1 350.440 4.052 20 5 FIBDMN Cc1noc(CN[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595433466 1115535930 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358.335 4.365 20 5 FIBDMN CC[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC000593708102 1115801554 /nfs/dbraw/zinc/80/15/54/1115801554.db2.gz HNKZREACCFXVHH-CZUORRHYSA-N 0 1 374.437 4.423 20 5 FIBDMN C[C@@H](CN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000599633221 1115832502 /nfs/dbraw/zinc/83/25/02/1115832502.db2.gz OFVJRMROLDMXSC-AWEZNQCLSA-N 0 1 358.442 4.293 20 5 FIBDMN CCC[C@H](NC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000604044306 1115845604 /nfs/dbraw/zinc/84/56/04/1115845604.db2.gz GLXDXSSRWYDICJ-GUXCAODWSA-N 0 1 369.465 4.292 20 5 FIBDMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1csc([N+](=O)[O-])c1 ZINC000604182636 1115855728 /nfs/dbraw/zinc/85/57/28/1115855728.db2.gz DQFSZZKVLZHULR-UHFFFAOYSA-N 0 1 354.347 4.045 20 5 FIBDMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc([N+](=O)[O-])s1 ZINC000604183179 1115855906 /nfs/dbraw/zinc/85/59/06/1115855906.db2.gz NNIHWPRIUWBCOX-UHFFFAOYSA-N 0 1 354.347 4.045 20 5 FIBDMN 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UJRMWTYERBTKIC-GFCCVEGCSA-N 0 1 367.858 4.298 20 5 FIBDMN COc1cc(CN(C)Cc2ccc([N+](=O)[O-])cc2C)ccc1OC(F)F ZINC000541773693 1118645373 /nfs/dbraw/zinc/64/53/73/1118645373.db2.gz ILOADMUKKFGKHU-UHFFFAOYSA-N 0 1 366.364 4.145 20 5 FIBDMN CC(C)Oc1cccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464775989 1118689676 /nfs/dbraw/zinc/68/96/76/1118689676.db2.gz NENZICDQHCQATG-UHFFFAOYSA-N 0 1 370.449 4.425 20 5 FIBDMN COc1ccc(OCCN2CC[C@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000464849743 1118722292 /nfs/dbraw/zinc/72/22/92/1118722292.db2.gz IHBZLVCYRBGHFR-HOCLYGCPSA-N 0 1 360.410 4.048 20 5 FIBDMN CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000090217636 1118723209 /nfs/dbraw/zinc/72/32/09/1118723209.db2.gz FBCODIIVYIIGMJ-KSSFIOAISA-N 0 1 356.422 4.476 20 5 FIBDMN Cc1ccc2nc(CNC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000465192252 1118876134 /nfs/dbraw/zinc/87/61/34/1118876134.db2.gz HADBOXVFFFOKRG-UHFFFAOYSA-N 0 1 366.421 4.007 20 5 FIBDMN CC(C)(NCc1ccc(Br)s1)c1ccccc1[N+](=O)[O-] ZINC000492196624 1119040725 /nfs/dbraw/zinc/04/07/25/1119040725.db2.gz ZGNJNNLOEUZGFO-UHFFFAOYSA-N 0 1 355.257 4.444 20 5 FIBDMN CCOc1cc(CN2CCC(OC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000492696731 1119166446 /nfs/dbraw/zinc/16/64/46/1119166446.db2.gz OVCLHWPWZJKXAZ-UHFFFAOYSA-N 0 1 362.470 4.307 20 5 FIBDMN C[C@H](CC(=O)OC(C)(C)C)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494036512 1119526859 /nfs/dbraw/zinc/52/68/59/1119526859.db2.gz CVVNKTZOTUPQCL-QRWLVFNGSA-N 0 1 370.449 4.394 20 5 FIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000487763517 1119822550 /nfs/dbraw/zinc/82/25/50/1119822550.db2.gz WOHGKWZRCYIHSF-MRXNPFEDSA-N 0 1 370.796 4.102 20 5 FIBDMN O=[N+]([O-])c1c(Cl)nc(C2CC2)nc1N[C@H](c1ccccn1)C(F)(F)F ZINC001168478271 1120501789 /nfs/dbraw/zinc/50/17/89/1120501789.db2.gz PDSIHDBHFNBLDP-SNVBAGLBSA-N 0 1 373.722 4.026 20 5 FIBDMN CCc1nc([C@H](C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000762568793 1120932607 /nfs/dbraw/zinc/93/26/07/1120932607.db2.gz DFRCHHGCPZCTIW-LURJTMIESA-N 0 1 363.727 4.121 20 5 FIBDMN Cc1cc(NC2CCN(Cc3ccccn3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301434375 1121155694 /nfs/dbraw/zinc/15/56/94/1121155694.db2.gz IRTCGSFOQMFCRI-UHFFFAOYSA-N 0 1 360.845 4.028 20 5 FIBDMN O=[N+]([O-])c1ccc(CN(Cc2c[nH]nc2-c2cccs2)C2CC2)cc1 ZINC000154257063 1122010082 /nfs/dbraw/zinc/01/00/82/1122010082.db2.gz UEYKIOXYKLJIOO-UHFFFAOYSA-N 0 1 354.435 4.211 20 5 FIBDMN CC(=O)c1ccc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000301485320 1122169246 /nfs/dbraw/zinc/16/92/46/1122169246.db2.gz WKMAHGHUWYDRII-SFHVURJKSA-N 0 1 361.829 4.166 20 5 FIBDMN COc1ccc(-c2ccc(CN(C)[C@H](C)c3ccncc3)o2)c([N+](=O)[O-])c1 ZINC000542693427 1122290238 /nfs/dbraw/zinc/29/02/38/1122290238.db2.gz ZMXJHMVIWSAISU-CQSZACIVSA-N 0 1 367.405 4.451 20 5 FIBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)s1 ZINC000497997674 1122506405 /nfs/dbraw/zinc/50/64/05/1122506405.db2.gz QJMIWQGTWRXSSS-JTQLQIEISA-N 0 1 364.814 4.067 20 5 FIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC(C)(C)c1ccc(Cl)cc1 ZINC000556522058 1122939461 /nfs/dbraw/zinc/93/94/61/1122939461.db2.gz ZCLHRYYHKZUDJE-UHFFFAOYSA-N 0 1 361.829 4.020 20 5 FIBDMN CC(C)[C@@H]1CCC[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556873492 1123155974 /nfs/dbraw/zinc/15/59/74/1123155974.db2.gz YIZAKOAUQLHNEW-HHXXYDBFSA-N 0 1 356.470 4.222 20 5 FIBDMN CC(C)c1ccc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000556896054 1123173373 /nfs/dbraw/zinc/17/33/73/1123173373.db2.gz BORGBIZQXUICDF-IBGZPJMESA-N 0 1 369.465 4.027 20 5 FIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H](CCO)c2ccccc2)o1 ZINC000077468034 1123681938 /nfs/dbraw/zinc/68/19/38/1123681938.db2.gz YGFPAYVCNMIYQP-GOSISDBHSA-N 0 1 352.390 4.068 20 5 FIBDMN CC(C)c1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000609393067 1123692130 /nfs/dbraw/zinc/69/21/30/1123692130.db2.gz VDLWPQYLFSKRNX-UHFFFAOYSA-N 0 1 355.438 4.225 20 5 FIBDMN CSc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000064374837 1123721308 /nfs/dbraw/zinc/72/13/08/1123721308.db2.gz FLDPBUOHDVODDH-UHFFFAOYSA-N 0 1 372.855 4.079 20 5 FIBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCOC2CCCCCC2)c1 ZINC000609825941 1123850770 /nfs/dbraw/zinc/85/07/70/1123850770.db2.gz CWXQVCRXTQVEBU-UHFFFAOYSA-N 0 1 358.385 4.025 20 5 FIBDMN Cn1cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(-c2ccccc2)n1 ZINC000179695318 1124031941 /nfs/dbraw/zinc/03/19/41/1124031941.db2.gz RXNDUTYPXKEHHQ-UHFFFAOYSA-N 0 1 362.433 4.160 20 5 FIBDMN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000765849369 1124192923 /nfs/dbraw/zinc/19/29/23/1124192923.db2.gz PRBBKFOAPVCEFX-ACJLOTCBSA-N 0 1 369.446 4.103 20 5 FIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cn3ccccc3n2)s1 ZINC000237963538 1124207809 /nfs/dbraw/zinc/20/78/09/1124207809.db2.gz YSPOQJOONBEJCQ-UHFFFAOYSA-N 0 1 364.430 4.261 20 5 FIBDMN Cc1noc(-c2ccccc2)c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000130853417 1124402537 /nfs/dbraw/zinc/40/25/37/1124402537.db2.gz GUCJGQREAIJJHQ-UHFFFAOYSA-N 0 1 357.753 4.464 20 5 FIBDMN CCOc1cc2c(cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000153863726 1124746790 /nfs/dbraw/zinc/74/67/90/1124746790.db2.gz LRNJIXHAUDWVFE-UONOGXRCSA-N 0 1 356.422 4.168 20 5 FIBDMN CCOc1cc2c(cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000153863616 1124747197 /nfs/dbraw/zinc/74/71/97/1124747197.db2.gz LRNJIXHAUDWVFE-KBPBESRZSA-N 0 1 356.422 4.168 20 5 FIBDMN CCc1nc2cc(CNCc3ccccc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000554924072 1124836381 /nfs/dbraw/zinc/83/63/81/1124836381.db2.gz VBVRFIYVXDGALG-UHFFFAOYSA-N 0 1 350.422 4.132 20 5 FIBDMN C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)c1ccccc1 ZINC000181791870 1125135900 /nfs/dbraw/zinc/13/59/00/1125135900.db2.gz XPWGJIURDDHAMD-AWEZNQCLSA-N 0 1 366.421 4.101 20 5 FIBDMN Cc1ccc([C@H](C)NCc2cccc(C(=O)NCC(C)C)c2)cc1[N+](=O)[O-] ZINC000181813374 1125143560 /nfs/dbraw/zinc/14/35/60/1125143560.db2.gz YXMBEHISBCLAAT-INIZCTEOSA-N 0 1 369.465 4.140 20 5 FIBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000181816829 1125144104 /nfs/dbraw/zinc/14/41/04/1125144104.db2.gz JOPKENSFALDMQP-OAHLLOKOSA-N 0 1 355.438 4.316 20 5 FIBDMN COc1cccc2c1OCC[C@H]2N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571697 1125212259 /nfs/dbraw/zinc/21/22/59/1125212259.db2.gz MPIMOGADCQUZBI-QZTJIDSGSA-N 0 1 354.406 4.094 20 5 FIBDMN C[N@H+]1CCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000301793445 1125299044 /nfs/dbraw/zinc/29/90/44/1125299044.db2.gz PCVPSFMGSSLPIX-APPDUMDISA-N 0 1 367.421 4.430 20 5 FIBDMN C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Oc1ccccc1 ZINC000113956162 1125313323 /nfs/dbraw/zinc/31/33/23/1125313323.db2.gz NEFITEOMNKBPIH-CQSZACIVSA-N 0 1 369.446 4.275 20 5 FIBDMN C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Oc1ccccc1 ZINC000113956159 1125313374 /nfs/dbraw/zinc/31/33/74/1125313374.db2.gz NEFITEOMNKBPIH-AWEZNQCLSA-N 0 1 369.446 4.275 20 5 FIBDMN CSc1ccc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cc1[N+](=O)[O-] ZINC000161593545 1125317282 /nfs/dbraw/zinc/31/72/82/1125317282.db2.gz FWTUJDGJAMTBPG-UHFFFAOYSA-N 0 1 372.406 4.169 20 5 FIBDMN CCCCc1nc2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2[nH]1 ZINC000109000276 206043216 /nfs/dbraw/zinc/04/32/16/206043216.db2.gz MBFPUTQHPMSVJP-UHFFFAOYSA-N 0 1 368.393 4.075 20 5 FIBDMN COc1ccc(-c2cc3[nH]c(CCC(C)(C)[N+](=O)[O-])nc(=O)c3s2)cc1 ZINC000291031389 567970082 /nfs/dbraw/zinc/97/00/82/567970082.db2.gz XDGZFESYVFFMQH-UHFFFAOYSA-N 0 1 373.434 4.060 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000016101139 568129335 /nfs/dbraw/zinc/12/93/35/568129335.db2.gz BEIPYBBFOONACL-UHFFFAOYSA-N 0 1 361.206 4.011 20 5 FIBDMN O=[N+]([O-])c1ccc(CN2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000568802870 568228263 /nfs/dbraw/zinc/22/82/63/568228263.db2.gz HOGCXSKTTNFVFI-UHFFFAOYSA-N 0 1 355.369 4.255 20 5 FIBDMN COc1ccc(CN2CCCCC[C@@H]2c2c(C)n[nH]c2C)cc1[N+](=O)[O-] ZINC000568918239 568252126 /nfs/dbraw/zinc/25/21/26/568252126.db2.gz WJNXOBRQBMHHRR-MRXNPFEDSA-N 0 1 358.442 4.061 20 5 FIBDMN Cc1cc(NCc2ncoc2-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543048115 1125561267 /nfs/dbraw/zinc/56/12/67/1125561267.db2.gz UBAUZNTZSFSVAG-UHFFFAOYSA-N 0 1 360.373 4.140 20 5 FIBDMN C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000183145427 1125757268 /nfs/dbraw/zinc/75/72/68/1125757268.db2.gz LPNWZSDJNAYAOS-ZDUSSCGKSA-N 0 1 356.813 4.285 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000430199006 1079908015 /nfs/dbraw/zinc/90/80/15/1079908015.db2.gz ASIGNCNHKHOAHD-NSHDSACASA-N 0 1 354.328 4.473 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000430210767 1079971490 /nfs/dbraw/zinc/97/14/90/1079971490.db2.gz FMWVZNSOVGZGMA-HNNXBMFYSA-N 0 1 355.438 4.054 20 5 FIBDMN CCc1nc(C)c([C@H](C)[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000610215083 1079975303 /nfs/dbraw/zinc/97/53/03/1079975303.db2.gz LVBUODQOZMELMY-AWEZNQCLSA-N 0 1 363.483 4.384 20 5 FIBDMN Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c(O[C@H]2CCOC2)c1 ZINC000120604340 1080314842 /nfs/dbraw/zinc/31/48/42/1080314842.db2.gz CMCNYHPUPKRGPM-APWZRJJASA-N 0 1 370.449 4.230 20 5 FIBDMN CN(Cc1ccco1)Cc1ccccc1CNc1ccc([N+](=O)[O-])s1 ZINC000078335895 1080488079 /nfs/dbraw/zinc/48/80/79/1080488079.db2.gz BBJISPBAUHGDND-UHFFFAOYSA-N 0 1 357.435 4.493 20 5 FIBDMN O=[N+]([O-])c1ccc2oc(CN(CCc3cccc(F)c3)C3CC3)nc2c1 ZINC000083173138 1080561747 /nfs/dbraw/zinc/56/17/47/1080561747.db2.gz AXDGQRLWWQALTI-UHFFFAOYSA-N 0 1 355.369 4.082 20 5 FIBDMN CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001125327111 1080828022 /nfs/dbraw/zinc/82/80/22/1080828022.db2.gz YMJQWWBFDYVDMY-IUODEOHRSA-N 0 1 359.253 4.033 20 5 FIBDMN COc1ccc([C@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599019492 1081077943 /nfs/dbraw/zinc/07/79/43/1081077943.db2.gz DYCLKWJTHRFECT-HXUWFJFHSA-N 0 1 355.438 4.363 20 5 FIBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](CSc4ccccc4)C3)nc2c1 ZINC000177161279 1081198803 /nfs/dbraw/zinc/19/88/03/1081198803.db2.gz HXMHHJKYTBVAJD-CQSZACIVSA-N 0 1 369.446 4.350 20 5 FIBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3Cc3cccc(F)c3)nc2c1 ZINC000083168764 1081267036 /nfs/dbraw/zinc/26/70/36/1081267036.db2.gz MQTNJEPZQLCTPT-HNNXBMFYSA-N 0 1 355.369 4.082 20 5 FIBDMN C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000610341781 1081496882 /nfs/dbraw/zinc/49/68/82/1081496882.db2.gz XTZCUZKMTIXLKS-SUMWQHHRSA-N 0 1 373.840 4.094 20 5 FIBDMN CC(C)(C)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC001167356989 1081620002 /nfs/dbraw/zinc/62/00/02/1081620002.db2.gz PZAZKKUDFIULSC-UHFFFAOYSA-N 0 1 355.438 4.082 20 5 FIBDMN CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCC(C(=O)[O-])CC1 ZINC000580214588 1081754932 /nfs/dbraw/zinc/75/49/32/1081754932.db2.gz ZXFQNIDLBKIJTB-UHFFFAOYSA-N 0 1 374.359 4.079 20 5 FIBDMN NC1(c2noc(-c3cc([N+](=O)[O-])ccc3Oc3ccccc3)n2)CCCC1 ZINC000261897788 1082030088 /nfs/dbraw/zinc/03/00/88/1082030088.db2.gz YFFHYAYNLQGDHH-UHFFFAOYSA-N 0 1 366.377 4.165 20 5 FIBDMN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000156704009 1082239556 /nfs/dbraw/zinc/23/95/56/1082239556.db2.gz DOEIDHMYHMVCBO-HZPDHXFCSA-N 0 1 367.449 4.442 20 5 FIBDMN Cc1cc(C)c(NC(=O)CCCN(C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000177887786 1082278170 /nfs/dbraw/zinc/27/81/70/1082278170.db2.gz ASLUJJKOWMYELG-UHFFFAOYSA-N 0 1 369.465 4.371 20 5 FIBDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000610539466 1082569175 /nfs/dbraw/zinc/56/91/75/1082569175.db2.gz RRUZWKXBONGXMY-SJKOYZFVSA-N 0 1 361.829 4.316 20 5 FIBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc(OC(F)F)c(F)c1 ZINC000581617872 1082712441 /nfs/dbraw/zinc/71/24/41/1082712441.db2.gz HNYXPKUPVHKEAM-CQSZACIVSA-N 0 1 352.312 4.112 20 5 FIBDMN Cc1cc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000179372305 1083394854 /nfs/dbraw/zinc/39/48/54/1083394854.db2.gz OIZNCHTWTHESQN-STQMWFEESA-N 0 1 361.467 4.259 20 5 FIBDMN CCc1ccc([C@@H](NCCCOC(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000510935886 1083510780 /nfs/dbraw/zinc/51/07/80/1083510780.db2.gz 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Cc1ccc2nc([C@@H]3CCCN(Cc4ccc([N+](=O)[O-])cc4F)C3)[nH]c2c1 ZINC000539247585 1084434210 /nfs/dbraw/zinc/43/42/10/1084434210.db2.gz IDUPLAURYWXVAO-OAHLLOKOSA-N 0 1 368.412 4.298 20 5 FIBDMN Cc1ccc(-c2n[nH]c(SCCCOc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000071971144 1084469279 /nfs/dbraw/zinc/46/92/79/1084469279.db2.gz PLKFLFZNVHUWIR-UHFFFAOYSA-N 0 1 370.434 4.250 20 5 FIBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000263311668 1084520665 /nfs/dbraw/zinc/52/06/65/1084520665.db2.gz IBDSRDSAOHVLRN-QWHCGFSZSA-N 0 1 360.435 4.008 20 5 FIBDMN CC(C)(CF)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000472144798 1084530735 /nfs/dbraw/zinc/53/07/35/1084530735.db2.gz WXOJJFVGJGRPEB-UHFFFAOYSA-N 0 1 371.206 4.455 20 5 FIBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000263463817 1084567766 /nfs/dbraw/zinc/56/77/66/1084567766.db2.gz CGVPNSVZLJFUHP-QBIMZIAESA-N 0 1 370.405 4.073 20 5 FIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000173262713 1084594224 /nfs/dbraw/zinc/59/42/24/1084594224.db2.gz VYAXMYUJOAHRJV-OLZOCXBDSA-N 0 1 353.378 4.019 20 5 FIBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000582437719 1084691569 /nfs/dbraw/zinc/69/15/69/1084691569.db2.gz BLBKACXQROVBBG-IBGZPJMESA-N 0 1 369.808 4.228 20 5 FIBDMN COc1cc(CN(C)Cc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000051472264 1084708700 /nfs/dbraw/zinc/70/87/00/1084708700.db2.gz FSUKPMXUXIMJIZ-UHFFFAOYSA-N 0 1 366.364 4.145 20 5 FIBDMN Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c(N2CCCC2)n1 ZINC000611591297 1084909949 /nfs/dbraw/zinc/90/99/49/1084909949.db2.gz IBIXXMZFHVFQFO-INIZCTEOSA-N 0 1 354.454 4.058 20 5 FIBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000050015609 1085042581 /nfs/dbraw/zinc/04/25/81/1085042581.db2.gz XFKOYACQONZYGK-JTQLQIEISA-N 0 1 353.191 4.347 20 5 FIBDMN CCc1ccc([C@@H](NCC2(C(F)F)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000479455198 1085164287 /nfs/dbraw/zinc/16/42/87/1085164287.db2.gz RQJQUIHVLZSQLR-INIZCTEOSA-N 0 1 350.365 4.475 20 5 FIBDMN CCOc1ccc([C@H](C)NCc2ccnc(SCC)c2)cc1[N+](=O)[O-] ZINC000187794412 1085545993 /nfs/dbraw/zinc/54/59/93/1085545993.db2.gz SPKTZCGZZQPQPR-ZDUSSCGKSA-N 0 1 361.467 4.351 20 5 FIBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000178685020 1085810419 /nfs/dbraw/zinc/81/04/19/1085810419.db2.gz UAIMFBLNVHOTFZ-QWHCGFSZSA-N 0 1 361.829 4.234 20 5 FIBDMN Cc1c([C@@H](C)NCc2ccnc(N3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000162426055 1086166622 /nfs/dbraw/zinc/16/66/22/1086166622.db2.gz SYIGDBQYLODMQL-MRXNPFEDSA-N 0 1 354.454 4.139 20 5 FIBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3ccccc3[C@@H]2C(C)C)c1 ZINC001167656646 1086311882 /nfs/dbraw/zinc/31/18/82/1086311882.db2.gz MXJYABHFCKFAGI-FQEVSTJZSA-N 0 1 368.433 4.137 20 5 FIBDMN CC(C)(NCc1cnc(-c2ccccn2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000084674027 1087356868 /nfs/dbraw/zinc/35/68/68/1087356868.db2.gz OGKWIPOTDQSPJL-UHFFFAOYSA-N 0 1 354.435 4.138 20 5 FIBDMN Cc1cc(F)cc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c1[N+](=O)[O-] ZINC000176907342 1087594131 /nfs/dbraw/zinc/59/41/31/1087594131.db2.gz YTELLHBHLHFNIZ-UHFFFAOYSA-N 0 1 370.384 4.468 20 5 FIBDMN CN(C)Cc1cnc(/C=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)s1 ZINC000504710852 1087794438 /nfs/dbraw/zinc/79/44/38/1087794438.db2.gz FFZDINPHDGMVTG-WQRHYEAKSA-N 0 1 366.446 4.097 20 5 FIBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180438979 1087915024 /nfs/dbraw/zinc/91/50/24/1087915024.db2.gz VKRYRLSSLXQDQI-SNVBAGLBSA-N 0 1 368.220 4.191 20 5 FIBDMN C[C@@H](NCC(=O)Nc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180446500 1087919413 /nfs/dbraw/zinc/91/94/13/1087919413.db2.gz NNLMDVCKAAJEPP-SNVBAGLBSA-N 0 1 368.220 4.191 20 5 FIBDMN CC[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180626998 1087992316 /nfs/dbraw/zinc/99/23/16/1087992316.db2.gz GBSREOZWCCWOHK-OAHLLOKOSA-N 0 1 362.813 4.260 20 5 FIBDMN CCOc1ccc([C@H](C)NCc2ccc(OC(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000181345565 1088331536 /nfs/dbraw/zinc/33/15/36/1088331536.db2.gz DWTWOMUCJDYTCH-AWEZNQCLSA-N 0 1 373.453 4.417 20 5 FIBDMN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434246850 1088435485 /nfs/dbraw/zinc/43/54/85/1088435485.db2.gz VDGYUVLMMIMHEH-MRXNPFEDSA-N 0 1 372.469 4.233 20 5 FIBDMN Cn1ccnc1[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000514094188 1088743056 /nfs/dbraw/zinc/74/30/56/1088743056.db2.gz MFLVQYAZVVVZKJ-WOGUSJMUSA-N 0 1 368.481 4.366 20 5 FIBDMN CC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000434622073 1088841307 /nfs/dbraw/zinc/84/13/07/1088841307.db2.gz AFBPQEPBMXXJGH-IBGZPJMESA-N 0 1 356.401 4.439 20 5 FIBDMN Cc1ccc(-c2n[nH]c(SCc3nc4cc([N+](=O)[O-])ccc4o3)n2)cc1 ZINC000434805229 1089049795 /nfs/dbraw/zinc/04/97/95/1089049795.db2.gz VKAVYXKTLRELQM-UHFFFAOYSA-N 0 1 367.390 4.122 20 5 FIBDMN C[C@H](c1ccncc1)N1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000425232763 1089106438 /nfs/dbraw/zinc/10/64/38/1089106438.db2.gz FTKUFENWVAURGN-CYBMUJFWSA-N 0 1 360.845 4.281 20 5 FIBDMN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1c1ccccc1 ZINC000435027205 1089223111 /nfs/dbraw/zinc/22/31/11/1089223111.db2.gz LKKMAZCULYHXPA-PBHICJAKSA-N 0 1 351.406 4.362 20 5 FIBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2cc(-c3ccccc3)oc2C1 ZINC001167959176 1089704682 /nfs/dbraw/zinc/70/46/82/1089704682.db2.gz NPWOGSPORKRHLW-UHFFFAOYSA-N 0 1 350.374 4.119 20 5 FIBDMN COc1ccc([N+](=O)[O-])cc1CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000515017134 1089721349 /nfs/dbraw/zinc/72/13/49/1089721349.db2.gz HKUFTJNHOBPOPP-YFHOEESVSA-N 0 1 368.418 4.184 20 5 FIBDMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Br)nc2)cc1[N+](=O)[O-] ZINC000290674966 1090200181 /nfs/dbraw/zinc/20/01/81/1090200181.db2.gz LPMAGDVZURLLTP-RYUDHWBXSA-N 0 1 364.243 4.473 20 5 FIBDMN COc1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1OC ZINC000417331400 1090819777 /nfs/dbraw/zinc/81/97/77/1090819777.db2.gz WDUPTNMARVDADF-SFHVURJKSA-N 0 1 356.422 4.169 20 5 FIBDMN CSc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000500267261 1091174582 /nfs/dbraw/zinc/17/45/82/1091174582.db2.gz DNIXDLULFDQHCQ-KBPBESRZSA-N 0 1 373.478 4.303 20 5 FIBDMN CCS(=O)(=O)C1CCN(Cc2c3ccccc3cc3ccccc32)CC1 ZINC000195164366 1091466219 /nfs/dbraw/zinc/46/62/19/1091466219.db2.gz UBTKTRIBZPTWRE-UHFFFAOYSA-N 0 1 367.514 4.392 20 5 FIBDMN Cc1ccc(CN(Cc2ccco2)Cc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000512275154 1091997857 /nfs/dbraw/zinc/99/78/57/1091997857.db2.gz DIJUYALDUUYVCS-UHFFFAOYSA-N 0 1 358.419 4.466 20 5 FIBDMN O=C(c1ccc(Cl)cc1)C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549770647 1092761036 /nfs/dbraw/zinc/76/10/36/1092761036.db2.gz UJKNBULKJRGFLM-UHFFFAOYSA-N 0 1 374.824 4.049 20 5 FIBDMN CCC[C@@H](NCc1ccncc1OCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000442863695 1092810850 /nfs/dbraw/zinc/81/08/50/1092810850.db2.gz ACVUEFNBXDLZMF-MRXNPFEDSA-N 0 1 365.380 4.265 20 5 FIBDMN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000549830076 1092857266 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COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCN(C)c2ccccc21 ZINC000595052636 1115512631 /nfs/dbraw/zinc/51/26/31/1115512631.db2.gz SIAIBJTXRBUTKA-KSSFIOAISA-N 0 1 355.438 4.225 20 5 FIBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000595279060 1115522289 /nfs/dbraw/zinc/52/22/89/1115522289.db2.gz DPCBFBKNLRELAN-GOSISDBHSA-N 0 1 366.417 4.063 20 5 FIBDMN COC(=O)c1ccc([N+](=O)[O-])c(CNC(C)(C)c2ccc(Cl)cc2)c1 ZINC000593016655 1115537283 /nfs/dbraw/zinc/53/72/83/1115537283.db2.gz VEYKBCXLVDUTQE-UHFFFAOYSA-N 0 1 362.813 4.060 20 5 FIBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](c2ccccc2)C(C)(C)C)c1 ZINC000593021647 1115539578 /nfs/dbraw/zinc/53/95/78/1115539578.db2.gz WCMRFRNAJFSPRF-SFHVURJKSA-N 0 1 356.422 4.258 20 5 FIBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C2CCC2)CC1 ZINC000595661057 1115555278 /nfs/dbraw/zinc/55/52/78/1115555278.db2.gz XBAHOOZGNIPHRO-ZDUSSCGKSA-N 0 1 356.426 4.218 20 5 FIBDMN C[C@H](NCc1ccc(C(=O)OC(C)(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000598955563 1115773036 /nfs/dbraw/zinc/77/30/36/1115773036.db2.gz OZSWGXVESWEGOK-LBPRGKRZSA-N 0 1 362.451 4.462 20 5 FIBDMN CC(C)(C)OC(=O)[C@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000593685010 1115792288 /nfs/dbraw/zinc/79/22/88/1115792288.db2.gz BECHTUNPLVYYHX-RBUKOAKNSA-N 0 1 368.433 4.255 20 5 FIBDMN CC(C)(C)OC(=O)[C@@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000593685002 1115792541 /nfs/dbraw/zinc/79/25/41/1115792541.db2.gz BECHTUNPLVYYHX-MOPGFXCFSA-N 0 1 368.433 4.255 20 5 FIBDMN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000593689963 1115796796 /nfs/dbraw/zinc/79/67/96/1115796796.db2.gz KENXHICCHRXVTE-RTBURBONSA-N 0 1 368.433 4.255 20 5 FIBDMN Cc1ccc(C=Cc2n[nH]c(SCCc3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000603724667 1115808903 /nfs/dbraw/zinc/80/89/03/1115808903.db2.gz QSCOGGGPWJZWDY-CMDGGOBGSA-N 0 1 356.407 4.120 20 5 FIBDMN Cc1cc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000604539307 1115869610 /nfs/dbraw/zinc/86/96/10/1115869610.db2.gz OZIRUUWYAIULJE-UHFFFAOYSA-N 0 1 350.378 4.299 20 5 FIBDMN CC[C@@H](C)N(Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000061759903 1115872691 /nfs/dbraw/zinc/87/26/91/1115872691.db2.gz NNLFIXHQDJZQLU-OAHLLOKOSA-N 0 1 356.422 4.262 20 5 FIBDMN O=[N+]([O-])c1ccc(CCN(Cc2ccco2)Cc2ccc(O)cc2)cc1 ZINC000609029985 1116141644 /nfs/dbraw/zinc/14/16/44/1116141644.db2.gz YPRIDLZOCKJFQI-UHFFFAOYSA-N 0 1 352.390 4.138 20 5 FIBDMN CCOc1ccc(CN[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1OC ZINC000152885693 1116377316 /nfs/dbraw/zinc/37/73/16/1116377316.db2.gz NRRHRLPVBAHMLQ-CQSZACIVSA-N 0 1 374.437 4.252 20 5 FIBDMN CCC[C@H](NCC(=O)N(CC)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540170274 1117912866 /nfs/dbraw/zinc/91/28/66/1117912866.db2.gz OJODPFXWAUOWKD-FQEVSTJZSA-N 0 1 369.465 4.074 20 5 FIBDMN COc1ccc(CN[C@H](C)c2ccc(SC)c(F)c2)cc1[N+](=O)[O-] ZINC000540173477 1117914742 /nfs/dbraw/zinc/91/47/42/1117914742.db2.gz GKOIJIXKHDJUJE-LLVKDONJSA-N 0 1 350.415 4.315 20 5 FIBDMN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(Cl)cc1F ZINC000463444978 1118157947 /nfs/dbraw/zinc/15/79/47/1118157947.db2.gz OUTMIQZNYUZHCU-UHFFFAOYSA-N 0 1 372.805 4.113 20 5 FIBDMN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC(F)F)cc1 ZINC000122440314 1118530970 /nfs/dbraw/zinc/53/09/70/1118530970.db2.gz YCAYCSDWWUPDKN-INIZCTEOSA-N 0 1 366.364 4.446 20 5 FIBDMN O=[N+]([O-])c1cc(CN2CCCC3(C2)CCCCCC3)c2c(c1)COCO2 ZINC000464763540 1118685564 /nfs/dbraw/zinc/68/55/64/1118685564.db2.gz BSBIRKSITQYZHL-UHFFFAOYSA-N 0 1 360.454 4.398 20 5 FIBDMN COc1ccc(OCCN2CC[C@H](C)C[C@@H]2c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000464841788 1118718051 /nfs/dbraw/zinc/71/80/51/1118718051.db2.gz XZHYATMQYGIAAY-WMLDXEAASA-N 0 1 374.437 4.357 20 5 FIBDMN CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cc([O-])ccc3[N+](=O)[O-])oc21 ZINC000549930050 1118976272 /nfs/dbraw/zinc/97/62/72/1118976272.db2.gz HKFNDWVAIRRNCX-GFCCVEGCSA-N 0 1 356.378 4.296 20 5 FIBDMN COc1ccc(CN[C@@H]2CCCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000492331790 1119071164 /nfs/dbraw/zinc/07/11/64/1119071164.db2.gz FKDJECVNFPZSEC-GFCCVEGCSA-N 0 1 352.843 4.486 20 5 FIBDMN CCN(CC)[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccco1 ZINC000443949273 1119110161 /nfs/dbraw/zinc/11/01/61/1119110161.db2.gz SCPUDGAUBQWGJJ-MRXNPFEDSA-N 0 1 374.441 4.009 20 5 FIBDMN CCOc1cc(CNC(C)(C)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000492610549 1119145705 /nfs/dbraw/zinc/14/57/05/1119145705.db2.gz XBGFUHACCWZFRE-UHFFFAOYSA-N 0 1 350.365 4.297 20 5 FIBDMN CCOc1cc(CN[C@H](C)c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000492719125 1119171611 /nfs/dbraw/zinc/17/16/11/1119171611.db2.gz DHDURPCTXVYMGC-GFCCVEGCSA-N 0 1 366.364 4.446 20 5 FIBDMN COc1cc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2)ccc1OC(C)C ZINC000493008314 1119241756 /nfs/dbraw/zinc/24/17/56/1119241756.db2.gz KPCYNVDXMDQHGP-AWEZNQCLSA-N 0 1 374.437 4.250 20 5 FIBDMN CCc1ccc([C@H](NCCc2ccccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542479978 1119822517 /nfs/dbraw/zinc/82/25/17/1119822517.db2.gz ZIYSPLHUIDGBRW-HXUWFJFHSA-N 0 1 351.406 4.067 20 5 FIBDMN O=[N+]([O-])c1ccc(Sc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000018900654 1120790309 /nfs/dbraw/zinc/79/03/09/1120790309.db2.gz CRVMNFMFKOSQER-UHFFFAOYSA-N 0 1 350.743 4.184 20 5 FIBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c(F)c1 ZINC000089513374 1120898990 /nfs/dbraw/zinc/89/89/90/1120898990.db2.gz PYMISCZVAWFDQA-SNVBAGLBSA-N 0 1 353.191 4.347 20 5 FIBDMN C[C@H]1C[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000915634778 1121012474 /nfs/dbraw/zinc/01/24/74/1121012474.db2.gz NMDBCWKTGTYDET-YOEHRIQHSA-N 0 1 355.394 4.161 20 5 FIBDMN O=[N+]([O-])c1cc(Cl)ccc1Sc1nc(-c2ccccc2F)n[nH]1 ZINC000301095661 1121031079 /nfs/dbraw/zinc/03/10/79/1121031079.db2.gz VSYUJZKJMKLDTC-UHFFFAOYSA-N 0 1 350.762 4.324 20 5 FIBDMN Cc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1[N+](=O)[O-] ZINC000497136223 1121845201 /nfs/dbraw/zinc/84/52/01/1121845201.db2.gz ZZSWXNKLDJKXJR-UHFFFAOYSA-N 0 1 358.463 4.029 20 5 FIBDMN COc1ccc(-c2ccc(CN(C)[C@@H](C)c3ccncc3)o2)c([N+](=O)[O-])c1 ZINC000542693426 1122289942 /nfs/dbraw/zinc/28/99/42/1122289942.db2.gz ZMXJHMVIWSAISU-AWEZNQCLSA-N 0 1 367.405 4.451 20 5 FIBDMN CC(C)[C@@H]1CCC[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556873494 1123156289 /nfs/dbraw/zinc/15/62/89/1123156289.db2.gz YIZAKOAUQLHNEW-SZVBFZGTSA-N 0 1 356.470 4.222 20 5 FIBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCOc3ccc(F)cc3)cs2)c1 ZINC000609598459 1123769749 /nfs/dbraw/zinc/76/97/49/1123769749.db2.gz LNJXXUBVFVQASF-UHFFFAOYSA-N 0 1 373.409 4.026 20 5 FIBDMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000609657787 1123785338 /nfs/dbraw/zinc/78/53/38/1123785338.db2.gz BBXWWVUFEMBARC-UHFFFAOYSA-N 0 1 361.206 4.011 20 5 FIBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000609763193 1123835535 /nfs/dbraw/zinc/83/55/35/1123835535.db2.gz LZKMZYOAVBQQDV-CQSZACIVSA-N 0 1 362.817 4.037 20 5 FIBDMN Cc1c(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000610004682 1123914936 /nfs/dbraw/zinc/91/49/36/1123914936.db2.gz XJUFFZOTWCDQBA-QGZVFWFLSA-N 0 1 356.397 4.137 20 5 FIBDMN Cc1cc(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC000610009978 1123915727 /nfs/dbraw/zinc/91/57/27/1123915727.db2.gz NNJLQCMJONBHBR-UHFFFAOYSA-N 0 1 372.812 4.362 20 5 FIBDMN Cc1ccc(OCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000237790776 1124079789 /nfs/dbraw/zinc/07/97/89/1124079789.db2.gz MVCTUMAZKWPSKR-UHFFFAOYSA-N 0 1 369.446 4.195 20 5 FIBDMN CCOc1cc2c(cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000153863417 1124745678 /nfs/dbraw/zinc/74/56/78/1124745678.db2.gz LRNJIXHAUDWVFE-KGLIPLIRSA-N 0 1 356.422 4.168 20 5 FIBDMN Cc1c(CN[C@@H](CC(=O)OC(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000181838707 1125154167 /nfs/dbraw/zinc/15/41/67/1125154167.db2.gz FOJMLHHJUQQOBQ-SFHVURJKSA-N 0 1 356.422 4.076 20 5 FIBDMN COc1cccc2c1OCC[C@@H]2N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571698 1125212098 /nfs/dbraw/zinc/21/20/98/1125212098.db2.gz MPIMOGADCQUZBI-ROUUACIJSA-N 0 1 354.406 4.094 20 5 FIBDMN COc1cccc2c1OCC[C@H]2N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571699 1125212352 /nfs/dbraw/zinc/21/23/52/1125212352.db2.gz MPIMOGADCQUZBI-ZWKOTPCHSA-N 0 1 354.406 4.094 20 5 FIBDMN COc1nc(C)cc(C)c1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618983922 1125408642 /nfs/dbraw/zinc/40/86/42/1125408642.db2.gz XAJXNUGZCOSMBS-SFHVURJKSA-N 0 1 355.438 4.127 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C\CNC1(c2ccc(F)cc2F)CCOCC1 ZINC000255464981 1125425811 /nfs/dbraw/zinc/42/58/11/1125425811.db2.gz QZABJWPXKQIHNF-HYXAFXHYSA-N 0 1 374.387 4.182 20 5 FIBDMN O=[N+]([O-])c1cc(CN(C2CC2)[C@H]2CCc3ccccc32)c2c(c1)COCO2 ZINC000065951678 1125436006 /nfs/dbraw/zinc/43/60/06/1125436006.db2.gz JFVXQSFVJPGFJW-FQEVSTJZSA-N 0 1 366.417 4.113 20 5 FIBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000481387435 567876711 /nfs/dbraw/zinc/87/67/11/567876711.db2.gz BSRJNFDSDMZGLX-APPDUMDISA-N 0 1 352.793 4.253 20 5 FIBDMN COc1ccc(CN2CCCCC[C@H]2c2c(C)n[nH]c2C)cc1[N+](=O)[O-] ZINC000568918233 568252080 /nfs/dbraw/zinc/25/20/80/568252080.db2.gz WJNXOBRQBMHHRR-INIZCTEOSA-N 0 1 358.442 4.061 20 5 FIBDMN COc1cc(CNC2(CF)CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000568999386 568265990 /nfs/dbraw/zinc/26/59/90/568265990.db2.gz FMKJEDAYIKDZKG-UHFFFAOYSA-N 0 1 374.412 4.164 20 5 FIBDMN O=C([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000569123573 568281929 /nfs/dbraw/zinc/28/19/29/568281929.db2.gz XLOJOKQSTGKIPZ-OAHLLOKOSA-N 0 1 374.824 4.326 20 5 FIBDMN O=C(CCNCc1csc([N+](=O)[O-])c1)Nc1cc(Cl)cc(Cl)c1 ZINC000569950266 568444096 /nfs/dbraw/zinc/44/40/96/568444096.db2.gz RPQTYPWVUXCOFN-UHFFFAOYSA-N 0 1 374.249 4.082 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000619531692 1125608667 /nfs/dbraw/zinc/60/86/67/1125608667.db2.gz YCDREHZXFAZCGT-HNNXBMFYSA-N 0 1 367.405 4.124 20 5 FIBDMN O=C(Nc1ccccc1Nc1ccncc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000619581857 1125623787 /nfs/dbraw/zinc/62/37/87/1125623787.db2.gz SIQHWRZKPLCPHY-UHFFFAOYSA-N 0 1 368.780 4.061 20 5 FIBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722860 1125669489 /nfs/dbraw/zinc/66/94/89/1125669489.db2.gz HVUWWALHSVRWKM-HNNXBMFYSA-N 0 1 374.872 4.161 20 5 FIBDMN CC(C)(CCC(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)[N+](=O)[O-] ZINC001125271209 1079580826 /nfs/dbraw/zinc/58/08/26/1079580826.db2.gz AQISXIHPFMFFNW-UHFFFAOYSA-N 0 1 370.384 4.143 20 5 FIBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000134464261 1080239691 /nfs/dbraw/zinc/23/96/91/1080239691.db2.gz PRVWHCBVQRLAGJ-GFCCVEGCSA-N 0 1 371.384 4.450 20 5 FIBDMN Cc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(O[C@H]2CCOC2)c1 ZINC000120604010 1080314720 /nfs/dbraw/zinc/31/47/20/1080314720.db2.gz CMCNYHPUPKRGPM-LPHOPBHVSA-N 0 1 370.449 4.230 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC001167267824 1080934764 /nfs/dbraw/zinc/93/47/64/1080934764.db2.gz LENKEHMQCALVOC-UHFFFAOYSA-N 0 1 365.433 4.464 20 5 FIBDMN Cc1c(CNCc2cccc(NC(=O)C3CCCC3)c2)cccc1[N+](=O)[O-] ZINC001648882419 1081343090 /nfs/dbraw/zinc/34/30/90/1081343090.db2.gz NIKLPUQVKJTUBB-UHFFFAOYSA-N 0 1 367.449 4.322 20 5 FIBDMN C[C@H]1N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC12CCOCC2 ZINC000580290953 1081802587 /nfs/dbraw/zinc/80/25/87/1081802587.db2.gz UFDUWNWDOSHJFQ-GFCCVEGCSA-N 0 1 358.360 4.005 20 5 FIBDMN Cc1ccc([C@H](C)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000156704159 1082239825 /nfs/dbraw/zinc/23/98/25/1082239825.db2.gz DOEIDHMYHMVCBO-CVEARBPZSA-N 0 1 367.449 4.442 20 5 FIBDMN Cc1c([C@H](C)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000156716634 1082241079 /nfs/dbraw/zinc/24/10/79/1082241079.db2.gz TWEHYHWBPHUPOC-HOTGVXAUSA-N 0 1 367.449 4.442 20 5 FIBDMN Cc1ccccc1[C@@H]1C[C@H](C)N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001167464446 1082593341 /nfs/dbraw/zinc/59/33/41/1082593341.db2.gz MAFZDWSPNGDUFQ-GVDBMIGSSA-N 0 1 367.449 4.108 20 5 FIBDMN Cn1cc(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 ZINC000101594373 1083017962 /nfs/dbraw/zinc/01/79/62/1083017962.db2.gz PZPMJLUWZXCOIW-UHFFFAOYSA-N 0 1 372.812 4.064 20 5 FIBDMN CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000101592858 1083019329 /nfs/dbraw/zinc/01/93/29/1083019329.db2.gz WLJKSALGDWHDAB-HNNXBMFYSA-N 0 1 370.453 4.319 20 5 FIBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000101592180 1083021080 /nfs/dbraw/zinc/02/10/80/1083021080.db2.gz CLVCZPUURBJIJQ-MRXNPFEDSA-N 0 1 363.417 4.420 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C\CN(CCc1ccccn1)Cc1cccnc1 ZINC000430877461 1083220240 /nfs/dbraw/zinc/22/02/40/1083220240.db2.gz YGGHFAHHNHNQMO-TWGQIWQCSA-N 0 1 374.444 4.143 20 5 FIBDMN CCS[C@H]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001167496450 1083526849 /nfs/dbraw/zinc/52/68/49/1083526849.db2.gz MBRADGCRQLZHDN-OCCSQVGLSA-N 0 1 373.316 4.463 20 5 FIBDMN CCOCCOc1cc(C)ccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167148153 1083631227 /nfs/dbraw/zinc/63/12/27/1083631227.db2.gz XERVEWDWCIDQFH-KRWDZBQOSA-N 0 1 372.465 4.478 20 5 FIBDMN CN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000612540006 1083902391 /nfs/dbraw/zinc/90/23/91/1083902391.db2.gz QGBCHCRTJYXEBB-HNAYVOBHSA-N 0 1 362.376 4.225 20 5 FIBDMN Cc1ccc([C@@H](C)CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000611560902 1084092657 /nfs/dbraw/zinc/09/26/57/1084092657.db2.gz BPRSVKDPBNHIPR-JXFKEZNVSA-N 0 1 364.449 4.119 20 5 FIBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCc3sc(Br)cc32)cc1 ZINC000380866868 1084244733 /nfs/dbraw/zinc/24/47/33/1084244733.db2.gz MGCIVQWCRKDBAT-LBPRGKRZSA-N 0 1 353.241 4.196 20 5 FIBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000263148891 1084341434 /nfs/dbraw/zinc/34/14/34/1084341434.db2.gz FEVMGWXJMWCRMZ-GXTWGEPZSA-N 0 1 360.435 4.008 20 5 FIBDMN CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001167517183 1084434298 /nfs/dbraw/zinc/43/42/98/1084434298.db2.gz OJGKHQGWNZKEOR-SFHVURJKSA-N 0 1 369.465 4.103 20 5 FIBDMN C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000580603431 1084450576 /nfs/dbraw/zinc/45/05/76/1084450576.db2.gz ZGAQRKVREHQMSX-HOCLYGCPSA-N 0 1 374.412 4.119 20 5 FIBDMN C[C@H]1C[C@@H](CO)CCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000580603431 1084450583 /nfs/dbraw/zinc/45/05/83/1084450583.db2.gz ZGAQRKVREHQMSX-HOCLYGCPSA-N 0 1 374.412 4.119 20 5 FIBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCc2c1cnn2C ZINC000180208887 1084898289 /nfs/dbraw/zinc/89/82/89/1084898289.db2.gz ICFGEBCSSDXXMN-SFHVURJKSA-N 0 1 366.421 4.098 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H](OC(F)F)C3)o2)cc1 ZINC000611609613 1085031195 /nfs/dbraw/zinc/03/11/95/1085031195.db2.gz TUGCNQHVQILKHA-AWEZNQCLSA-N 0 1 352.337 4.058 20 5 FIBDMN CC(C)(C)[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(F)c1 ZINC000178615026 1085234977 /nfs/dbraw/zinc/23/49/77/1085234977.db2.gz ZZEKIGDOCPNMGC-IBGZPJMESA-N 0 1 374.412 4.477 20 5 FIBDMN CC[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000549535361 1085438793 /nfs/dbraw/zinc/43/87/93/1085438793.db2.gz FDTZHLYLODLROS-CQSZACIVSA-N 0 1 352.337 4.143 20 5 FIBDMN COc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000549535292 1085439119 /nfs/dbraw/zinc/43/91/19/1085439119.db2.gz AHQQFLCZYQWOEM-LLVKDONJSA-N 0 1 354.328 4.473 20 5 FIBDMN C[C@@H](NCc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000178648487 1085561700 /nfs/dbraw/zinc/56/17/00/1085561700.db2.gz GLMLMDNRPLEKAH-GFCCVEGCSA-N 0 1 354.328 4.387 20 5 FIBDMN COc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000178653048 1085596230 /nfs/dbraw/zinc/59/62/30/1085596230.db2.gz KBZPJQQSMNHLJC-NSHDSACASA-N 0 1 354.328 4.473 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC4(CCCCC4)C3)o2)cc1 ZINC000111324111 1085735663 /nfs/dbraw/zinc/73/56/63/1085735663.db2.gz VDZGVJANAVWYSR-UHFFFAOYSA-N 0 1 356.426 4.191 20 5 FIBDMN CSc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681505 1085778950 /nfs/dbraw/zinc/77/89/50/1085778950.db2.gz VAJZWUHIPNHUJN-KBPBESRZSA-N 0 1 373.478 4.303 20 5 FIBDMN CSc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178690793 1085816898 /nfs/dbraw/zinc/81/68/98/1085816898.db2.gz VSTHKSDXYHXQPH-UONOGXRCSA-N 0 1 373.478 4.303 20 5 FIBDMN CCCCO[C@@H]1C[C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000572886565 1085899304 /nfs/dbraw/zinc/89/93/04/1085899304.db2.gz UJUFAEDDCSPJEV-ZWKOTPCHSA-N 0 1 373.453 4.323 20 5 FIBDMN O=[N+]([O-])c1cc(CN2CC[C@]3(CCOC3)C2)ccc1Oc1ccc(F)cc1 ZINC000093820518 1086202167 /nfs/dbraw/zinc/20/21/67/1086202167.db2.gz QTLZHXKVZIGFKZ-FQEVSTJZSA-N 0 1 372.396 4.139 20 5 FIBDMN CC(C)c1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000535942014 1086290523 /nfs/dbraw/zinc/29/05/23/1086290523.db2.gz FLMBTEITIDQIRA-PWECECGKSA-N 0 1 360.479 4.306 20 5 FIBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cncc(Br)c1 ZINC000583333652 1086571655 /nfs/dbraw/zinc/57/16/55/1086571655.db2.gz XOMICLSKBWVVAJ-WDEREUQCSA-N 0 1 350.216 4.164 20 5 FIBDMN COc1ccc(CN[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000106466360 1086647902 /nfs/dbraw/zinc/64/79/02/1086647902.db2.gz SEIZGDKZVBCXKN-NSHDSACASA-N 0 1 370.327 4.353 20 5 FIBDMN C[C@@H]1CC[C@H](c2ccccc2)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000512154511 1086847957 /nfs/dbraw/zinc/84/79/57/1086847957.db2.gz YOPSQRSUKHZXML-FOIQADDNSA-N 0 1 368.433 4.435 20 5 FIBDMN Cc1c(NS(=O)(=O)c2ccccc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000219384903 1087054267 /nfs/dbraw/zinc/05/42/67/1087054267.db2.gz ILPPCUQWTLMIGP-UHFFFAOYSA-N 0 1 368.414 4.371 20 5 FIBDMN C[C@H](NCc1ccc(SC(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180406779 1087901395 /nfs/dbraw/zinc/90/13/95/1087901395.db2.gz AZLNRVNPHVYSQT-ZDUSSCGKSA-N 0 1 359.451 4.219 20 5 FIBDMN O=[N+]([O-])c1ccccc1OCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180570154 1087963548 /nfs/dbraw/zinc/96/35/48/1087963548.db2.gz FMMATPLOKHZJOK-AWEZNQCLSA-N 0 1 372.318 4.396 20 5 FIBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000181315419 1088303681 /nfs/dbraw/zinc/30/36/81/1088303681.db2.gz ICYJZUWTSABGFS-QWRGUYRKSA-N 0 1 370.375 4.382 20 5 FIBDMN CC(C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)OCC1CC1 ZINC000414513716 1088805746 /nfs/dbraw/zinc/80/57/46/1088805746.db2.gz GPQVGPLXZPFKDU-UHFFFAOYSA-N 0 1 361.467 4.013 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414566731 1088833392 /nfs/dbraw/zinc/83/33/92/1088833392.db2.gz XHVQIDRUEOOYBR-PNWMKBJFSA-N 0 1 364.445 4.462 20 5 FIBDMN CC[C@H](NCC(=O)Nc1ccc(C)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000181528681 1088951191 /nfs/dbraw/zinc/95/11/91/1088951191.db2.gz ZLTLYIVFDNIYIA-INIZCTEOSA-N 0 1 361.829 4.236 20 5 FIBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@H](c3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000434891565 1089098125 /nfs/dbraw/zinc/09/81/25/1089098125.db2.gz IYAINUNAZZKEDM-RYRKJORJSA-N 0 1 367.449 4.108 20 5 FIBDMN Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)[nH]n2)cc1 ZINC000514910028 1089604344 /nfs/dbraw/zinc/60/43/44/1089604344.db2.gz AYYOWILKVKCBDY-UHFFFAOYSA-N 0 1 350.378 4.162 20 5 FIBDMN COc1ccc(CSc2nc(C=Cc3ccc(C)o3)n[nH]2)cc1[N+](=O)[O-] ZINC000515288378 1089935475 /nfs/dbraw/zinc/93/54/75/1089935475.db2.gz QRQPTQQZIKDYCI-VURMDHGXSA-N 0 1 372.406 4.086 20 5 FIBDMN O=C(Nc1ncsc1C1CC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000893273227 1090510686 /nfs/dbraw/zinc/51/06/86/1090510686.db2.gz CXBXDDFZGFVMRF-UHFFFAOYSA-N 0 1 374.241 4.005 20 5 FIBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cnn(-c3ccccc3)c1)CCCC2 ZINC000417308932 1090803290 /nfs/dbraw/zinc/80/32/90/1090803290.db2.gz FXZXHWXRFNDBRV-NRFANRHFSA-N 0 1 362.433 4.338 20 5 FIBDMN Cc1c(NC(=O)CCN2CC[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000511622820 1090855389 /nfs/dbraw/zinc/85/53/89/1090855389.db2.gz LRJMPVKUTJVTFA-GOSISDBHSA-N 0 1 373.840 4.332 20 5 FIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)o1 ZINC000566593088 1091081205 /nfs/dbraw/zinc/08/12/05/1091081205.db2.gz WMPXULAXVOZUMY-VQTJNVASSA-N 0 1 368.433 4.388 20 5 FIBDMN O=C(Nc1nc(-c2ccccc2Cl)ns1)c1ccc([N+](=O)[O-])s1 ZINC000110382337 1091261255 /nfs/dbraw/zinc/26/12/55/1091261255.db2.gz FYXIJYAEGZPMHO-UHFFFAOYSA-N 0 1 366.811 4.081 20 5 FIBDMN CC(C)n1cc([C@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000279575029 1091931244 /nfs/dbraw/zinc/93/12/44/1091931244.db2.gz TYHPGXORTGSEQJ-NSHDSACASA-N 0 1 356.348 4.242 20 5 FIBDMN O=[N+]([O-])c1cccc(CNCc2cccc(COCc3ccco3)c2)c1 ZINC000520950876 1092375555 /nfs/dbraw/zinc/37/55/55/1092375555.db2.gz JPGZQXRTLSNNGX-UHFFFAOYSA-N 0 1 352.390 4.194 20 5 FIBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000473362810 1092761168 /nfs/dbraw/zinc/76/11/68/1092761168.db2.gz ZHVOZDPBLLDLHF-UHFFFAOYSA-N 0 1 360.732 4.030 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000572807656 1092907532 /nfs/dbraw/zinc/90/75/32/1092907532.db2.gz CIOACHDBUFQVCA-UXHICEINSA-N 0 1 368.433 4.388 20 5 FIBDMN Cc1cc2oc(=O)cc(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2cc1C ZINC000178684791 1093041574 /nfs/dbraw/zinc/04/15/74/1093041574.db2.gz YQJTVUIWVUDFLC-OAHLLOKOSA-N 0 1 366.417 4.477 20 5 FIBDMN CC1(C)C[C@H](NC2(C(=O)Nc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433078568 1093206865 /nfs/dbraw/zinc/20/68/65/1093206865.db2.gz SILTTYDDUXRNQX-SFHVURJKSA-N 0 1 365.433 4.078 20 5 FIBDMN C[C@]1(c2ccccc2)CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000522223730 1093218947 /nfs/dbraw/zinc/21/89/47/1093218947.db2.gz CKMATGPEWQIBCR-NRFANRHFSA-N 0 1 368.433 4.015 20 5 FIBDMN O=[N+]([O-])c1ccc(/C(=C/c2cc(O)ccc2[N+](=O)[O-])c2ccncc2)cc1 ZINC000178723737 1093253943 /nfs/dbraw/zinc/25/39/43/1093253943.db2.gz WLJMQOVMZYGGLH-PDGQHHTCSA-N 0 1 363.329 4.193 20 5 FIBDMN COc1ccc([C@H](CCO)N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433305951 1093571842 /nfs/dbraw/zinc/57/18/42/1093571842.db2.gz QQMHJEJWERHHPI-VQTJNVASSA-N 0 1 370.449 4.039 20 5 FIBDMN Cc1ccc(C)c([C@H]2CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000474212786 1093586630 /nfs/dbraw/zinc/58/66/30/1093586630.db2.gz 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Cc1c([C@H](C)N[C@@H](C)c2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000281151333 1095496325 /nfs/dbraw/zinc/49/63/25/1095496325.db2.gz OLNCBXSFTHGAAY-RYUDHWBXSA-N 0 1 364.243 4.473 20 5 FIBDMN Cc1c2ccccc2oc1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183552321 1095522090 /nfs/dbraw/zinc/52/20/90/1095522090.db2.gz UVODULJUPPLSGM-UONOGXRCSA-N 0 1 367.405 4.327 20 5 FIBDMN CC1(C)C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cc(N)ccc2O1 ZINC000423445430 1096678032 /nfs/dbraw/zinc/67/80/32/1096678032.db2.gz SCRMIOQPTNIZMP-RTBURBONSA-N 0 1 367.449 4.446 20 5 FIBDMN Cc1ccc([C@@H](C)N[C@@H]2CC(C)(C)Oc3ccc(N)cc32)cc1[N+](=O)[O-] ZINC000423429850 1096683405 /nfs/dbraw/zinc/68/34/05/1096683405.db2.gz SZJLLGBHHNLIGK-CXAGYDPISA-N 0 1 355.438 4.438 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2noc(CN(CC3CCCCC3)C3CC3)n2)cc1 ZINC000532920762 1098610739 /nfs/dbraw/zinc/61/07/39/1098610739.db2.gz UGTJMOLHOWKUFI-UHFFFAOYSA-N 0 1 356.426 4.190 20 5 FIBDMN C[C@H](CN(C)Cc1ccc(Br)cc1[N+](=O)[O-])c1nccs1 ZINC000425453267 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CCSc1ccc([C@@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000539302094 1111512545 /nfs/dbraw/zinc/51/25/45/1111512545.db2.gz ZVZCGFRSEWXLTL-CQSZACIVSA-N 0 1 373.478 4.305 20 5 FIBDMN Cc1cccc([C@H](C)CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000552244921 1111635680 /nfs/dbraw/zinc/63/56/80/1111635680.db2.gz MVSCBVDLNCIGDZ-UZLBHIALSA-N 0 1 364.449 4.119 20 5 FIBDMN C[C@@H](O)CCN(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000552300449 1111666015 /nfs/dbraw/zinc/66/60/15/1111666015.db2.gz HMDQQOQMNHRRGU-CYBMUJFWSA-N 0 1 364.829 4.243 20 5 FIBDMN Cc1c(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)cccc1[N+](=O)[O-] ZINC000479464433 1112034371 /nfs/dbraw/zinc/03/43/71/1112034371.db2.gz VCWBOWCLNBUOJS-IBGZPJMESA-N 0 1 362.433 4.256 20 5 FIBDMN CCC(=O)c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000479917228 1112197275 /nfs/dbraw/zinc/19/72/75/1112197275.db2.gz ZJXOWEBHCGAARG-UHFFFAOYSA-N 0 1 354.391 4.124 20 5 FIBDMN CCC(=O)c1ccc(NC[C@H](c2ccco2)N(CC)CC)c([N+](=O)[O-])c1 ZINC000479965502 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MUKXBCSGSOLMHG-KBPBESRZSA-N 0 1 354.385 4.331 20 5 FIBDMN CCCNC(=O)c1cccc(CN[C@@H](CCC)c2cccc([N+](=O)[O-])c2)c1 ZINC000160605500 1113414818 /nfs/dbraw/zinc/41/48/18/1113414818.db2.gz TZADOVDCCNKBAN-FQEVSTJZSA-N 0 1 369.465 4.366 20 5 FIBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)n[nH]1 ZINC000486795993 1113647273 /nfs/dbraw/zinc/64/72/73/1113647273.db2.gz INMPCSMNRCXNPK-DTWKUNHWSA-N 0 1 355.345 4.001 20 5 FIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCCC[C@H]1c1ccccc1 ZINC000488943270 1114019724 /nfs/dbraw/zinc/01/97/24/1114019724.db2.gz RFBYQSMJPRMHRS-SFHVURJKSA-N 0 1 364.405 4.229 20 5 FIBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc(Br)c(F)c1 ZINC000570985652 1114426440 /nfs/dbraw/zinc/42/64/40/1114426440.db2.gz MBTMJFYCTYBQQC-OAHLLOKOSA-N 0 1 365.202 4.274 20 5 FIBDMN Cn1ccnc1[C@@H](NCC1CCC(C)(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000571174944 1114436944 /nfs/dbraw/zinc/43/69/44/1114436944.db2.gz PFIBSMNVFLFPRU-SFHVURJKSA-N 0 1 356.470 4.224 20 5 FIBDMN CC(C)Oc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000056157027 1114616002 /nfs/dbraw/zinc/61/60/02/1114616002.db2.gz DTYSBUCJYRWLQL-GJZGRUSLSA-N 0 1 371.437 4.060 20 5 FIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000056197413 1114658338 /nfs/dbraw/zinc/65/83/38/1114658338.db2.gz GQFYMTPSCQKMET-MNOVXSKESA-N 0 1 365.792 4.065 20 5 FIBDMN COc1cccc2c1OCC[C@@H]2N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000594518525 1115458693 /nfs/dbraw/zinc/45/86/93/1115458693.db2.gz HHQRMGZFQMDXFI-OALUTQOASA-N 0 1 368.433 4.484 20 5 FIBDMN CCCOCc1ccccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595015838 1115504213 /nfs/dbraw/zinc/50/42/13/1115504213.db2.gz HRBDTFQTQKBKQG-OAHLLOKOSA-N 0 1 358.438 4.381 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(OC(F)F)cc1 ZINC000595004671 1115507631 /nfs/dbraw/zinc/50/76/31/1115507631.db2.gz RFLYMOLLRKGPRJ-NSHDSACASA-N 0 1 352.337 4.056 20 5 FIBDMN CCC[C@@H](NCc1cnc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000595061612 1115508389 /nfs/dbraw/zinc/50/83/89/1115508389.db2.gz SIOXVMKGBMGQBC-CQSZACIVSA-N 0 1 354.332 4.035 20 5 FIBDMN CCC[C@H](N[C@@H](COC)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000595069814 1115509786 /nfs/dbraw/zinc/50/97/86/1115509786.db2.gz SIVWGSMYXCRURN-PMACEKPBSA-N 0 1 358.438 4.422 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCCN(C)c2ccccc21 ZINC000595052642 1115512547 /nfs/dbraw/zinc/51/25/47/1115512547.db2.gz SIAIBJTXRBUTKA-RDTXWAMCSA-N 0 1 355.438 4.225 20 5 FIBDMN COc1cc(CN2C[C@H](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000575026888 1115530332 /nfs/dbraw/zinc/53/03/32/1115530332.db2.gz FCZCDGDHHFVNIU-RHSMWYFYSA-N 0 1 356.422 4.195 20 5 FIBDMN Cc1noc(CN[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595451052 1115537561 /nfs/dbraw/zinc/53/75/61/1115537561.db2.gz QSJIMUTWALTKMH-GXTWGEPZSA-N 0 1 369.343 4.336 20 5 FIBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CC2CC2)c2ccccc2)c1 ZINC000593020613 1115538441 /nfs/dbraw/zinc/53/84/41/1115538441.db2.gz QECHYLZEQRGZQE-GOSISDBHSA-N 0 1 354.406 4.012 20 5 FIBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593113818 1115558669 /nfs/dbraw/zinc/55/86/69/1115558669.db2.gz WBLHHZHXFZIMIR-UHFFFAOYSA-N 0 1 352.312 4.098 20 5 FIBDMN O=[N+]([O-])c1ccc(O)cc1CNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593113818 1115558670 /nfs/dbraw/zinc/55/86/70/1115558670.db2.gz WBLHHZHXFZIMIR-UHFFFAOYSA-N 0 1 352.312 4.098 20 5 FIBDMN Cc1cc(N2CCC[C@H]([C@@H]3CCCCO3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596506749 1115595810 /nfs/dbraw/zinc/59/58/10/1115595810.db2.gz SWBPYOXLTHENHT-YWZLYKJASA-N 0 1 355.438 4.237 20 5 FIBDMN CC[C@H](C)N(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000060471675 1115645151 /nfs/dbraw/zinc/64/51/51/1115645151.db2.gz BKRSTQIIJNWNIG-INIZCTEOSA-N 0 1 355.438 4.142 20 5 FIBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000597217317 1115648529 /nfs/dbraw/zinc/64/85/29/1115648529.db2.gz CCNUMFMZKYYEOH-ZRNYNZGJSA-N 0 1 368.433 4.445 20 5 FIBDMN CCc1ccc([C@H](NCC[C@H]2CC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000598679024 1115744043 /nfs/dbraw/zinc/74/40/43/1115744043.db2.gz CXKGKIMYJGBSJE-SUMWQHHRSA-N 0 1 350.365 4.475 20 5 FIBDMN CN(C)C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000598998120 1115775935 /nfs/dbraw/zinc/77/59/35/1115775935.db2.gz NQUAIMSVSNLRGY-QGZVFWFLSA-N 0 1 368.264 4.294 20 5 FIBDMN Cc1c(CN2CCC(Cc3nc(C4CCC4)no3)CC2)cccc1[N+](=O)[O-] ZINC000599641311 1115833295 /nfs/dbraw/zinc/83/32/95/1115833295.db2.gz MWBWAHLECZOCHF-UHFFFAOYSA-N 0 1 370.453 4.008 20 5 FIBDMN CCC[C@H](NC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000604044308 1115845738 /nfs/dbraw/zinc/84/57/38/1115845738.db2.gz GLXDXSSRWYDICJ-YRNRMSPPSA-N 0 1 369.465 4.292 20 5 FIBDMN CCOc1ccc([C@@H](C)NCc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000152693017 1116237387 /nfs/dbraw/zinc/23/73/87/1116237387.db2.gz BWHTZOSDLGYCBI-GFCCVEGCSA-N 0 1 366.364 4.446 20 5 FIBDMN CCOc1ccc([C@H](C)NCc2cccc(NC(=O)CC)c2)cc1[N+](=O)[O-] ZINC000535065378 1116264293 /nfs/dbraw/zinc/26/42/93/1116264293.db2.gz OHISWGOIECYJQW-AWEZNQCLSA-N 0 1 371.437 4.193 20 5 FIBDMN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000535207645 1116281413 /nfs/dbraw/zinc/28/14/13/1116281413.db2.gz SUZONTRMMMLYQG-KRWDZBQOSA-N 0 1 368.412 4.057 20 5 FIBDMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)n[nH]1 ZINC000540146507 1117898165 /nfs/dbraw/zinc/89/81/65/1117898165.db2.gz ZVENMMTYSXQJCB-VXGBXAGGSA-N 0 1 371.466 4.416 20 5 FIBDMN Cc1c([C@@H](C)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000540152233 1117906028 /nfs/dbraw/zinc/90/60/28/1117906028.db2.gz SGTVJPJVGZBXQS-WBMJQRKESA-N 0 1 368.355 4.306 20 5 FIBDMN COc1ccc(CN[C@@H]2CCCOc3c(C)cc(C)cc32)cc1[N+](=O)[O-] ZINC000540177118 1117916758 /nfs/dbraw/zinc/91/67/58/1117916758.db2.gz XZYAGDYKCKEORU-QGZVFWFLSA-N 0 1 356.422 4.224 20 5 FIBDMN Cc1nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2[nH]1 ZINC000463305618 1118087257 /nfs/dbraw/zinc/08/72/57/1118087257.db2.gz LCOPVHPPHKIRJT-UHFFFAOYSA-N 0 1 364.283 4.051 20 5 FIBDMN CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2C1 ZINC000076171026 1118133933 /nfs/dbraw/zinc/13/39/33/1118133933.db2.gz NKHFJTPBDASYMT-UHFFFAOYSA-N 0 1 359.451 4.270 20 5 FIBDMN CC(C)CCN1Cc2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2C1 ZINC000076171026 1118133936 /nfs/dbraw/zinc/13/39/36/1118133936.db2.gz NKHFJTPBDASYMT-UHFFFAOYSA-N 0 1 359.451 4.270 20 5 FIBDMN O=[N+]([O-])c1ccc(CNC[C@H](c2ccco2)N2CCCCC2)c(Cl)c1 ZINC000541538793 1118546774 /nfs/dbraw/zinc/54/67/74/1118546774.db2.gz XHTCLAGFRJWMSY-QGZVFWFLSA-N 0 1 363.845 4.158 20 5 FIBDMN COc1ccc(CN[C@@H](C)c2cc(Br)cs2)cc1[N+](=O)[O-] ZINC000491962921 1118998831 /nfs/dbraw/zinc/99/88/31/1118998831.db2.gz XONCMBYDYGBYCT-VIFPVBQESA-N 0 1 371.256 4.278 20 5 FIBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)OCCc1ccsc12 ZINC000492350852 1119073574 /nfs/dbraw/zinc/07/35/74/1119073574.db2.gz KGGBXJPZYPZMEC-AWEZNQCLSA-N 0 1 358.463 4.281 20 5 FIBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCc1ccsc12 ZINC000492582041 1119136414 /nfs/dbraw/zinc/13/64/14/1119136414.db2.gz UZRRAYNHOKNHHM-CQSZACIVSA-N 0 1 358.463 4.281 20 5 FIBDMN CCOc1cc(CN[C@@H](CC)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000492609354 1119140227 /nfs/dbraw/zinc/14/02/27/1119140227.db2.gz STMZXCRMKUACDX-INIZCTEOSA-N 0 1 372.421 4.006 20 5 FIBDMN Cc1cc(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC000492712760 1119170391 /nfs/dbraw/zinc/17/03/91/1119170391.db2.gz URGDAUWHVVKZEV-UHFFFAOYSA-N 0 1 365.393 4.064 20 5 FIBDMN CCOc1cc(CN(CCOC)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492718783 1119172596 /nfs/dbraw/zinc/17/25/96/1119172596.db2.gz BVJWJDRXARGYFG-MRXNPFEDSA-N 0 1 358.438 4.203 20 5 FIBDMN CCOc1cc(CN[C@H](C)c2cc(OC)c(OC)cc2C)ccc1[N+](=O)[O-] ZINC000492722168 1119176055 /nfs/dbraw/zinc/17/60/55/1119176055.db2.gz MLUXZJMQRQWBPG-CQSZACIVSA-N 0 1 374.437 4.170 20 5 FIBDMN CCOc1cc(CN2CCC(Nc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492723061 1119176186 /nfs/dbraw/zinc/17/61/86/1119176186.db2.gz PIHXFQWZGRNGGX-UHFFFAOYSA-N 0 1 373.428 4.209 20 5 FIBDMN CCOc1cc(CN2CCC[C@@H]2c2ccccc2OC)ccc1[N+](=O)[O-] ZINC000492768384 1119183601 /nfs/dbraw/zinc/18/36/01/1119183601.db2.gz ISPLQOVXKRBHJV-QGZVFWFLSA-N 0 1 356.422 4.339 20 5 FIBDMN COc1ccc2c(c1)[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC2 ZINC000494471269 1119873448 /nfs/dbraw/zinc/87/34/48/1119873448.db2.gz MCVDCQKKJMJRNB-KRWDZBQOSA-N 0 1 366.339 4.399 20 5 FIBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001168466474 1119954722 /nfs/dbraw/zinc/95/47/22/1119954722.db2.gz AQCJGLRSPCWDET-NSHDSACASA-N 0 1 372.812 4.232 20 5 FIBDMN CCc1ccc([C@H](NCC(C)(C)C[C@@H](C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542495128 1120088874 /nfs/dbraw/zinc/08/88/74/1120088874.db2.gz RWPIFRYABQNMNZ-AUUYWEPGSA-N 0 1 360.454 4.226 20 5 FIBDMN CCc1ccc([C@@H](NCCc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542500706 1120230717 /nfs/dbraw/zinc/23/07/17/1120230717.db2.gz RHDXDWFTKFMTTI-NRFANRHFSA-N 0 1 366.417 4.378 20 5 FIBDMN CC[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)s1 ZINC000542558036 1120829939 /nfs/dbraw/zinc/82/99/39/1120829939.db2.gz XTYQNEVNLKDHBC-GFCCVEGCSA-N 0 1 367.858 4.298 20 5 FIBDMN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2cccs2)Cc2cccs2)c1 ZINC000153681019 1121020404 /nfs/dbraw/zinc/02/04/04/1121020404.db2.gz IRNJSRZKGMZWHO-SFHVURJKSA-N 0 1 374.487 4.454 20 5 FIBDMN COc1ccc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC(F)F ZINC000026453281 1121091468 /nfs/dbraw/zinc/09/14/68/1121091468.db2.gz UXMAPKHEWHWIOA-GFCCVEGCSA-N 0 1 366.364 4.398 20 5 FIBDMN CCOc1ccc([C@@H](C)N[C@H](CC)c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000154065447 1121551440 /nfs/dbraw/zinc/55/14/40/1121551440.db2.gz NQMIEPFPMYPVPF-MLGOLLRUSA-N 0 1 360.458 4.146 20 5 FIBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)ccc1Cl ZINC000154166791 1121840731 /nfs/dbraw/zinc/84/07/31/1121840731.db2.gz ICUQQEZKQYFWMB-CZUORRHYSA-N 0 1 366.870 4.398 20 5 FIBDMN Cc1cc(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)[nH]n1 ZINC000610009956 1123915853 /nfs/dbraw/zinc/91/58/53/1123915853.db2.gz KGHXHPXWUDEGSE-UHFFFAOYSA-N 0 1 372.812 4.362 20 5 FIBDMN CCc1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001168643936 1124228435 /nfs/dbraw/zinc/22/84/35/1124228435.db2.gz LXQNBNAILANYQC-LBPRGKRZSA-N 0 1 361.829 4.100 20 5 FIBDMN C[C@H](O)[C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000542820452 1124391181 /nfs/dbraw/zinc/39/11/81/1124391181.db2.gz ZLENPFJIWVCIMF-GOEBONIOSA-N 0 1 374.412 4.119 20 5 FIBDMN CCOc1cc(CN2CCS[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000617201112 1124481519 /nfs/dbraw/zinc/48/15/19/1124481519.db2.gz MADMNHJYWWISGA-LJQANCHMSA-N 0 1 358.463 4.284 20 5 FIBDMN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000153808373 1124506641 /nfs/dbraw/zinc/50/66/41/1124506641.db2.gz ZYUBAFSLFKUMGZ-AWEZNQCLSA-N 0 1 350.422 4.248 20 5 FIBDMN CCOc1ccc([C@@H](C)NCc2ccc(OCC3CC3)nc2)cc1[N+](=O)[O-] ZINC000153428612 1124958466 /nfs/dbraw/zinc/95/84/66/1124958466.db2.gz OXOALSSJQOFDLC-CQSZACIVSA-N 0 1 371.437 4.028 20 5 FIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181853352 1125154076 /nfs/dbraw/zinc/15/40/76/1125154076.db2.gz RHQREPYXCJTTAH-HNNXBMFYSA-N 0 1 355.438 4.054 20 5 FIBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H](Cn1cccn1)c1ccccc1)CCC2 ZINC000618569068 1125208405 /nfs/dbraw/zinc/20/84/05/1125208405.db2.gz AMOXDHCSOGHPOP-SFTDATJTSA-N 0 1 362.433 4.200 20 5 FIBDMN O=C(Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001128294069 1125218805 /nfs/dbraw/zinc/21/88/05/1125218805.db2.gz WJESDRVVFSNBMK-HUUCEWRRSA-N 0 1 366.295 4.101 20 5 FIBDMN CCSc1ccc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182126566 1125256706 /nfs/dbraw/zinc/25/67/06/1125256706.db2.gz FBKBZTZWYLIXTK-AWEZNQCLSA-N 0 1 373.478 4.020 20 5 FIBDMN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000569310352 568362144 /nfs/dbraw/zinc/36/21/44/568362144.db2.gz BHJYMDICCDEJGF-LLVKDONJSA-N 0 1 354.332 4.029 20 5 FIBDMN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)c1ccsc1 ZINC000570420355 568475495 /nfs/dbraw/zinc/47/54/95/568475495.db2.gz YWWLGRAUTHNNTL-SFHVURJKSA-N 0 1 361.467 4.354 20 5 FIBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000114340801 1125508819 /nfs/dbraw/zinc/50/88/19/1125508819.db2.gz CGEBOUBWTRDRGW-UHFFFAOYSA-N 0 1 373.372 4.094 20 5 FIBDMN Cc1noc(C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc2)n1 ZINC000763543467 1125557421 /nfs/dbraw/zinc/55/74/21/1125557421.db2.gz IBBKOCBPJVFDFX-INIZCTEOSA-N 0 1 372.812 4.013 20 5 FIBDMN Cn1cc(-c2ccc(CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)s2)cn1 ZINC000619843828 1125713089 /nfs/dbraw/zinc/71/30/89/1125713089.db2.gz OUWKDLPHJSMRIV-UHFFFAOYSA-N 0 1 368.462 4.221 20 5 FIBDMN Cc1cc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)s1 ZINC000182985001 1125716285 /nfs/dbraw/zinc/71/62/85/1125716285.db2.gz CBRQJXRBKHHURF-SNVBAGLBSA-N 0 1 367.858 4.216 20 5 FIBDMN CC(=O)c1cc(NC[C@H](c2ccc(Cl)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000557631260 1079593428 /nfs/dbraw/zinc/59/34/28/1079593428.db2.gz VOKORNOZPFGVJY-GOSISDBHSA-N 0 1 361.829 4.166 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000430218665 1080001008 /nfs/dbraw/zinc/00/10/08/1080001008.db2.gz NHUPBDOFQRUSHP-XIKOKIGWSA-N 0 1 364.829 4.123 20 5 FIBDMN Cc1cccc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(C)(C)C)c1 ZINC001125295506 1080006742 /nfs/dbraw/zinc/00/67/42/1080006742.db2.gz ZRYQREPQFCAUOT-SFHVURJKSA-N 0 1 366.421 4.297 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000430229104 1080034864 /nfs/dbraw/zinc/03/48/64/1080034864.db2.gz UWJZDUIVXPJCPY-NSHDSACASA-N 0 1 352.337 4.056 20 5 FIBDMN Cc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(O[C@@H]2CCOC2)c1 ZINC000120603851 1080314371 /nfs/dbraw/zinc/31/43/71/1080314371.db2.gz CMCNYHPUPKRGPM-QFBILLFUSA-N 0 1 370.449 4.230 20 5 FIBDMN O=C(c1cc(Cl)ccc1Nc1ccc(O)c([N+](=O)[O-])c1)C(F)(F)F ZINC001210400775 1081361041 /nfs/dbraw/zinc/36/10/41/1081361041.db2.gz LTKVISPLLAMUMI-UHFFFAOYSA-N 0 1 360.675 4.442 20 5 FIBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175827162 1081369448 /nfs/dbraw/zinc/36/94/48/1081369448.db2.gz VKBYHJYIYZLYSV-GOEBONIOSA-N 0 1 366.870 4.398 20 5 FIBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175827194 1081369823 /nfs/dbraw/zinc/36/98/23/1081369823.db2.gz VKBYHJYIYZLYSV-GDBMZVCRSA-N 0 1 366.870 4.398 20 5 FIBDMN COc1cc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000157432581 1082827952 /nfs/dbraw/zinc/82/79/52/1082827952.db2.gz UDRRWSFGYQYOCP-KBPBESRZSA-N 0 1 374.437 4.341 20 5 FIBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000610916744 1082995972 /nfs/dbraw/zinc/99/59/72/1082995972.db2.gz HIZWOWQDEZZZFA-UHFFFAOYSA-N 0 1 358.442 4.011 20 5 FIBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC2(CC1)OCc1ccccc12 ZINC000610738808 1083396760 /nfs/dbraw/zinc/39/67/60/1083396760.db2.gz GAIWLGJYAVBZJZ-UHFFFAOYSA-N 0 1 368.433 4.015 20 5 FIBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179826037 1083677617 /nfs/dbraw/zinc/67/76/17/1083677617.db2.gz PCKWNSMRQSBMHY-UHFFFAOYSA-N 0 1 371.303 4.142 20 5 FIBDMN CCc1ccc([C@H](NCC2(CCOC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612414678 1083783384 /nfs/dbraw/zinc/78/33/84/1083783384.db2.gz WLENLBJPPBWNBA-LJQANCHMSA-N 0 1 358.438 4.246 20 5 FIBDMN O=[N+]([O-])c1ccc(OCCN(Cc2ccco2)Cc2ccccc2)cc1 ZINC000065208775 1083894202 /nfs/dbraw/zinc/89/42/02/1083894202.db2.gz NLGSEFSMSGBIDC-UHFFFAOYSA-N 0 1 352.390 4.269 20 5 FIBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000538185396 1084015647 /nfs/dbraw/zinc/01/56/47/1084015647.db2.gz RVOMOWBINFBVJX-AWEZNQCLSA-N 0 1 350.850 4.249 20 5 FIBDMN CCOc1ccc([C@H](C)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)cc1[N+](=O)[O-] ZINC000277209530 1084019001 /nfs/dbraw/zinc/01/90/01/1084019001.db2.gz KFABKNATVYOBRF-AGIUHOORSA-N 0 1 361.446 4.037 20 5 FIBDMN Cc1ccc([C@H](C)CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000611560905 1084086837 /nfs/dbraw/zinc/08/68/37/1084086837.db2.gz BPRSVKDPBNHIPR-UZLBHIALSA-N 0 1 364.449 4.119 20 5 FIBDMN COc1cc(CN[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000119606963 1084206018 /nfs/dbraw/zinc/20/60/18/1084206018.db2.gz XIKPMHLKOAHEAV-LLVKDONJSA-N 0 1 352.337 4.056 20 5 FIBDMN C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000156752772 1084230267 /nfs/dbraw/zinc/23/02/67/1084230267.db2.gz DLWJLFYCLRVPFD-HUUCEWRRSA-N 0 1 353.422 4.133 20 5 FIBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccnc(N2CCCCCC2)c1 ZINC000579971301 1084309476 /nfs/dbraw/zinc/30/94/76/1084309476.db2.gz ADGGTIRUTGZHAV-LJQANCHMSA-N 0 1 366.465 4.147 20 5 FIBDMN Cn1ccnc1[C@H](N[C@@H]1CCC[C@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000414291193 1084976913 /nfs/dbraw/zinc/97/69/13/1084976913.db2.gz AUVCRLRMSNTXAV-KZNAEPCWSA-N 0 1 356.470 4.222 20 5 FIBDMN CCC(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000479850915 1085318272 /nfs/dbraw/zinc/31/82/72/1085318272.db2.gz MMSZLZDSPSUZMW-UHFFFAOYSA-N 0 1 367.449 4.264 20 5 FIBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](CCO)C2)ccc1Oc1ccc(F)cc1 ZINC000093106843 1085320929 /nfs/dbraw/zinc/32/09/29/1085320929.db2.gz NJSMNSJBRHIOHE-OAHLLOKOSA-N 0 1 374.412 4.121 20 5 FIBDMN C[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178645809 1085555916 /nfs/dbraw/zinc/55/59/16/1085555916.db2.gz JRJPWHOJQLRYCS-MRXNPFEDSA-N 0 1 354.454 4.077 20 5 FIBDMN CC[C@H](C)C(=O)Nc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178646105 1085556778 /nfs/dbraw/zinc/55/67/78/1085556778.db2.gz GYCQDQUIVBDVAQ-GJZGRUSLSA-N 0 1 355.438 4.430 20 5 FIBDMN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)Cc1ccsc1 ZINC000187802660 1085567410 /nfs/dbraw/zinc/56/74/10/1085567410.db2.gz LKEONEDPKBLIAT-CYBMUJFWSA-N 0 1 372.450 4.159 20 5 FIBDMN O=[N+]([O-])c1ccc(CN2CCCCC[C@H]2C[C@@H](O)c2ccco2)c(F)c1 ZINC000121873897 1085584208 /nfs/dbraw/zinc/58/42/08/1085584208.db2.gz BWNKJSPLXOHZJM-MAUKXSAKSA-N 0 1 362.401 4.195 20 5 FIBDMN O=C(Nc1nc(-c2ccsc2)ns1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000109111723 1085588713 /nfs/dbraw/zinc/58/87/13/1085588713.db2.gz SULIQUVYUVKYFA-UHFFFAOYSA-N 0 1 366.811 4.081 20 5 FIBDMN Cc1ccc(C)c(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178679417 1085772270 /nfs/dbraw/zinc/77/22/70/1085772270.db2.gz CUMUTUXIZXYRAG-CVEARBPZSA-N 0 1 355.438 4.198 20 5 FIBDMN CSc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178690740 1085817678 /nfs/dbraw/zinc/81/76/78/1085817678.db2.gz VSTHKSDXYHXQPH-KGLIPLIRSA-N 0 1 373.478 4.303 20 5 FIBDMN COc1cc(CNCc2ccoc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000069833100 1085836412 /nfs/dbraw/zinc/83/64/12/1085836412.db2.gz VOVDTFFYVDWTLY-UHFFFAOYSA-N 0 1 368.389 4.065 20 5 FIBDMN Cc1cc([N+](=O)[O-])ccc1CNC1(c2cccc(Br)c2)CC1 ZINC000544609114 1086046748 /nfs/dbraw/zinc/04/67/48/1086046748.db2.gz DCIDESACZZQMBL-UHFFFAOYSA-N 0 1 361.239 4.445 20 5 FIBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000514797848 1086110089 /nfs/dbraw/zinc/11/00/89/1086110089.db2.gz FSIIICWUXLWAOU-INIZCTEOSA-N 0 1 374.824 4.187 20 5 FIBDMN CN(C)c1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000179033320 1087147024 /nfs/dbraw/zinc/14/70/24/1087147024.db2.gz CDUHUKFOLOTOFG-UHFFFAOYSA-N 0 1 368.462 4.074 20 5 FIBDMN C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H]1C(=O)[O-] ZINC000424422415 1087973166 /nfs/dbraw/zinc/97/31/66/1087973166.db2.gz SPFVIBHKRFCTQT-YVEFUNNKSA-N 0 1 360.435 4.008 20 5 FIBDMN CCc1cnc(CN[C@@H](CC)CSc2ccccc2[N+](=O)[O-])s1 ZINC000504912692 1087980254 /nfs/dbraw/zinc/98/02/54/1087980254.db2.gz ZOFAQIDZYPWIJW-LBPRGKRZSA-N 0 1 351.497 4.274 20 5 FIBDMN Cc1ccc([C@@H]2CCCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000434243663 1088428180 /nfs/dbraw/zinc/42/81/80/1088428180.db2.gz PFHSPYZEJAHABD-HNNXBMFYSA-N 0 1 356.426 4.117 20 5 FIBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000189372692 1088478226 /nfs/dbraw/zinc/47/82/26/1088478226.db2.gz WEPYUGVMICKGEA-RHSMWYFYSA-N 0 1 356.422 4.476 20 5 FIBDMN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505446975 1088850173 /nfs/dbraw/zinc/85/01/73/1088850173.db2.gz ZNDZTCBHYZRBQO-UHFFFAOYSA-N 0 1 364.357 4.132 20 5 FIBDMN C[N@@H+](CC(=O)[O-])Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000414637808 1088914228 /nfs/dbraw/zinc/91/42/28/1088914228.db2.gz MWBSJONYCLBETE-UHFFFAOYSA-N 0 1 372.421 4.201 20 5 FIBDMN O=[N+]([O-])c1cc(Cl)ccc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000514486289 1089132287 /nfs/dbraw/zinc/13/22/87/1089132287.db2.gz DQUKPSZCOLKCND-UHFFFAOYSA-N 0 1 363.820 4.100 20 5 FIBDMN CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000514972105 1089676814 /nfs/dbraw/zinc/67/68/14/1089676814.db2.gz GKIPKWOSDALJHB-MRXNPFEDSA-N 0 1 360.385 4.137 20 5 FIBDMN CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000517528997 1089740565 /nfs/dbraw/zinc/74/05/65/1089740565.db2.gz FFYUVMCCUCRWIN-HNNXBMFYSA-N 0 1 358.438 4.065 20 5 FIBDMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(Br)nc2)cc1[N+](=O)[O-] ZINC000290674960 1090194754 /nfs/dbraw/zinc/19/47/54/1090194754.db2.gz LPMAGDVZURLLTP-NWDGAFQWSA-N 0 1 364.243 4.473 20 5 FIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC(C)(C)CC(C)(C)C1 ZINC000466932810 1091693508 /nfs/dbraw/zinc/69/35/08/1091693508.db2.gz CZJVDCOARCYUCD-CYBMUJFWSA-N 0 1 358.442 4.464 20 5 FIBDMN CCOc1c(Cl)cc(CNCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000236850981 1091916658 /nfs/dbraw/zinc/91/66/58/1091916658.db2.gz ZFXNLLYGLGQEFO-UHFFFAOYSA-N 0 1 364.829 4.254 20 5 FIBDMN CC(C)c1ccc(CN[C@H]2CCCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000512226745 1091933328 /nfs/dbraw/zinc/93/33/28/1091933328.db2.gz OLQKZUNJRJTJOT-IBGZPJMESA-N 0 1 367.449 4.003 20 5 FIBDMN COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000432585206 1091966060 /nfs/dbraw/zinc/96/60/60/1091966060.db2.gz CDCXQLDCYPAQIX-IBGZPJMESA-N 0 1 370.405 4.067 20 5 FIBDMN Cc1c(CC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000438908661 1092536930 /nfs/dbraw/zinc/53/69/30/1092536930.db2.gz ARWMABUXRUHPSV-UHFFFAOYSA-N 0 1 364.405 4.228 20 5 FIBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000572709782 1092551241 /nfs/dbraw/zinc/55/12/41/1092551241.db2.gz RFNBKMLBNZNABJ-UYAOXDASSA-N 0 1 356.422 4.003 20 5 FIBDMN CCc1ccc([C@H](N[C@H](C)C[C@@H]2CCCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544357222 1092597545 /nfs/dbraw/zinc/59/75/45/1092597545.db2.gz YTISZFCWUWGCGY-HEFCMCLBSA-N 0 1 358.438 4.387 20 5 FIBDMN O=[N+]([O-])c1cccc(CCN[C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000544381203 1092608560 /nfs/dbraw/zinc/60/85/60/1092608560.db2.gz JMVUVGLHBLRNQI-FQEVSTJZSA-N 0 1 351.381 4.051 20 5 FIBDMN Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433063850 1093172982 /nfs/dbraw/zinc/17/29/82/1093172982.db2.gz ZKJOABHHUIAFFD-SJLPKXTDSA-N 0 1 367.449 4.110 20 5 FIBDMN Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433063850 1093172988 /nfs/dbraw/zinc/17/29/88/1093172988.db2.gz ZKJOABHHUIAFFD-SJLPKXTDSA-N 0 1 367.449 4.110 20 5 FIBDMN CCOc1c(OC)cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000126959909 1093197552 /nfs/dbraw/zinc/19/75/52/1093197552.db2.gz YCMOVKMJSBSZSQ-AWEZNQCLSA-N 0 1 374.437 4.170 20 5 FIBDMN COc1cc(CNCc2cc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000509620679 1093301348 /nfs/dbraw/zinc/30/13/48/1093301348.db2.gz ROLBRSBIMKLWFY-UHFFFAOYSA-N 0 1 358.419 4.117 20 5 FIBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512855990 1093457586 /nfs/dbraw/zinc/45/75/86/1093457586.db2.gz KSJCEWMTDIENLS-QGZVFWFLSA-N 0 1 369.248 4.423 20 5 FIBDMN COc1cc(CN[C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000182347574 1094030529 /nfs/dbraw/zinc/03/05/29/1094030529.db2.gz WNHIYFPFZIDAKO-LBPRGKRZSA-N 0 1 366.364 4.364 20 5 FIBDMN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000513277618 1094044471 /nfs/dbraw/zinc/04/44/71/1094044471.db2.gz YYEXHAKRNPKINL-KUHUBIRLSA-N 0 1 354.406 4.044 20 5 FIBDMN C[C@@H](c1ccsc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000185489408 1094472328 /nfs/dbraw/zinc/47/23/28/1094472328.db2.gz OBCOIAMCBDWEER-AWEZNQCLSA-N 0 1 368.462 4.088 20 5 FIBDMN COc1ncccc1CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102421501 1094542837 /nfs/dbraw/zinc/54/28/37/1094542837.db2.gz DIEQJYVMBBVRIF-UHFFFAOYSA-N 0 1 355.419 4.017 20 5 FIBDMN Cc1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cc1[N+](=O)[O-] ZINC000513737077 1095256857 /nfs/dbraw/zinc/25/68/57/1095256857.db2.gz UDJYYNLNVFPVSR-UHFFFAOYSA-N 0 1 373.372 4.094 20 5 FIBDMN Cc1c2ccccc2oc1[C@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000183577373 1095687969 /nfs/dbraw/zinc/68/79/69/1095687969.db2.gz JYBKZFZRPWQFLK-AWEZNQCLSA-N 0 1 367.405 4.247 20 5 FIBDMN C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000522799982 1095695227 /nfs/dbraw/zinc/69/52/27/1095695227.db2.gz HVYHDUUTKMHAAB-INIZCTEOSA-N 0 1 368.481 4.171 20 5 FIBDMN CN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000513750900 1095713910 /nfs/dbraw/zinc/71/39/10/1095713910.db2.gz RDSCUMZPCGUPMW-AWEZNQCLSA-N 0 1 362.813 4.261 20 5 FIBDMN COc1ccc(CC2CCN(Cc3cc([N+](=O)[O-])ccc3OC)CC2)cc1 ZINC000504556984 1096800556 /nfs/dbraw/zinc/80/05/56/1096800556.db2.gz XWUSJYFOTAQANM-UHFFFAOYSA-N 0 1 370.449 4.067 20 5 FIBDMN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505753774 1098722905 /nfs/dbraw/zinc/72/29/05/1098722905.db2.gz YIYNADVYBCUPKS-SNVBAGLBSA-N 0 1 368.311 4.152 20 5 FIBDMN CCc1ccc([C@H](C)NC(=O)[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000515717241 1098870153 /nfs/dbraw/zinc/87/01/53/1098870153.db2.gz HGBCLLSSYJVBIM-XHSDSOJGSA-N 0 1 369.465 4.074 20 5 FIBDMN CCCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000533289394 1098939153 /nfs/dbraw/zinc/93/91/53/1098939153.db2.gz IFBFBZYVPCZZRZ-OAHLLOKOSA-N 0 1 355.438 4.057 20 5 FIBDMN CCn1c(SCc2cc(O)ccc2[N+](=O)[O-])nnc1-c1cccc(C)c1 ZINC000436472804 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ZINC000540353488 1117998972 /nfs/dbraw/zinc/99/89/72/1117998972.db2.gz DLIGMUMLXAFGCI-KBXCAEBGSA-N 0 1 371.437 4.061 20 5 FIBDMN C[C@@H](Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000540789390 1118248248 /nfs/dbraw/zinc/24/82/48/1118248248.db2.gz PMIJMPCSZBSSJT-BRWVUGGUSA-N 0 1 369.465 4.377 20 5 FIBDMN Cc1[nH]nc(C(=O)N(CCC(C)C)[C@H](C)CCCC(C)C)c1[N+](=O)[O-] ZINC000464294365 1118511942 /nfs/dbraw/zinc/51/19/42/1118511942.db2.gz ITSONLWXPSSGML-CQSZACIVSA-N 0 1 352.479 4.329 20 5 FIBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000541626910 1118588042 /nfs/dbraw/zinc/58/80/42/1118588042.db2.gz ISNKUJLEEOKQQO-WDEREUQCSA-N 0 1 367.858 4.378 20 5 FIBDMN O=[N+]([O-])c1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000609146254 1118823504 /nfs/dbraw/zinc/82/35/04/1118823504.db2.gz QPSWFQZYZXGQAV-UHFFFAOYSA-N 0 1 364.405 4.024 20 5 FIBDMN COc1cccc([C@H]2C[C@@H](C)CN2Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000542247185 1118866337 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CCc1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000916149142 1121433407 /nfs/dbraw/zinc/43/34/07/1121433407.db2.gz TWEGNQOZUBOHLU-GFCCVEGCSA-N 0 1 361.829 4.100 20 5 FIBDMN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H](CCO)c3ccccc3)o2)c1 ZINC000124452183 1121696040 /nfs/dbraw/zinc/69/60/40/1121696040.db2.gz NTBMYOODLPKTCF-LJQANCHMSA-N 0 1 352.390 4.068 20 5 FIBDMN CCOc1ccc([C@H](C)NCc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000153544417 1122124594 /nfs/dbraw/zinc/12/45/94/1122124594.db2.gz MINCFXMVMOBAGO-AWEZNQCLSA-N 0 1 372.421 4.006 20 5 FIBDMN CCc1ccc(Cl)c(CC)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000556077040 1122639893 /nfs/dbraw/zinc/63/98/93/1122639893.db2.gz XKIZHGMFTOKTRL-UHFFFAOYSA-N 0 1 368.842 4.174 20 5 FIBDMN Cc1cccc([C@@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1C ZINC000498913539 1123079999 /nfs/dbraw/zinc/07/99/99/1123079999.db2.gz XHWVTYZRPSJKMP-SFHVURJKSA-N 0 1 364.405 4.065 20 5 FIBDMN COc1ccccc1COC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000556981217 1123288930 /nfs/dbraw/zinc/28/89/30/1123288930.db2.gz UVNKWMHYGHROET-MRXNPFEDSA-N 0 1 370.449 4.346 20 5 FIBDMN CCOc1ccc(CN[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1F ZINC000153655371 1124183848 /nfs/dbraw/zinc/18/38/48/1124183848.db2.gz QUTKWTAJNBSQIW-CYBMUJFWSA-N 0 1 362.401 4.382 20 5 FIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cccc3c2OCO3)s1 ZINC000237959966 1124207075 /nfs/dbraw/zinc/20/70/75/1124207075.db2.gz NGSVEANWBFBNFY-UHFFFAOYSA-N 0 1 368.414 4.342 20 5 FIBDMN O=C(Nc1ccc(Cl)cc1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000153713748 1124361066 /nfs/dbraw/zinc/36/10/66/1124361066.db2.gz SZQBBVCJELEUAN-UHFFFAOYSA-N 0 1 360.675 4.225 20 5 FIBDMN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)c1ccccc1 ZINC000181794682 1125137522 /nfs/dbraw/zinc/13/75/22/1125137522.db2.gz DPSYVSUBVREQBG-AWEZNQCLSA-N 0 1 366.421 4.101 20 5 FIBDMN Cc1ccc([C@H](C)NCc2ccc(C(=O)OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000181834369 1125154185 /nfs/dbraw/zinc/15/41/85/1125154185.db2.gz VMGUIXWRGWRZBB-HNNXBMFYSA-N 0 1 356.422 4.319 20 5 FIBDMN COc1ccc2c(c1)OCC[C@@H]2N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985172 1125411196 /nfs/dbraw/zinc/41/11/96/1125411196.db2.gz JNIVTMKBHIVRLT-RBUKOAKNSA-N 0 1 368.433 4.439 20 5 FIBDMN Cc1ccccc1[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000052212632 205186217 /nfs/dbraw/zinc/18/62/17/205186217.db2.gz ABNRMLPRUXWNAU-GOSISDBHSA-N 0 1 364.405 4.290 20 5 FIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3oc4ccccc4c3c2)cc1 ZINC000007055994 568144964 /nfs/dbraw/zinc/14/49/64/568144964.db2.gz YKFYGUHBOFCPHC-UHFFFAOYSA-N 0 1 368.370 4.295 20 5 FIBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000031721659 568336352 /nfs/dbraw/zinc/33/63/52/568336352.db2.gz JJGLAGPAQMLDQT-UHFFFAOYSA-N 0 1 372.377 4.202 20 5 FIBDMN Cc1cc([C@@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH]n1 ZINC000619746491 1125690080 /nfs/dbraw/zinc/69/00/80/1125690080.db2.gz ZFUSRZKVWVSBQU-LLVKDONJSA-N 0 1 354.332 4.029 20 5 FIBDMN Cc1c([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cnn1-c1ccc(F)cc1 ZINC000182998600 1125713847 /nfs/dbraw/zinc/71/38/47/1125713847.db2.gz MTPXUBFDRJNHOG-CQSZACIVSA-N 0 1 368.412 4.387 20 5 FIBDMN C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000183145450 1125757279 /nfs/dbraw/zinc/75/72/79/1125757279.db2.gz LPNWZSDJNAYAOS-CYBMUJFWSA-N 0 1 356.813 4.285 20 5 FIBDMN CCCCc1nc2ccc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])cc2[nH]1 ZINC000610226026 1080032967 /nfs/dbraw/zinc/03/29/67/1080032967.db2.gz AJMBAZGHAZXXOX-UHFFFAOYSA-N 0 1 352.394 4.374 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000430230398 1080036353 /nfs/dbraw/zinc/03/63/53/1080036353.db2.gz YMUXOZUWYHHIOA-LLVKDONJSA-N 0 1 354.328 4.473 20 5 FIBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134450191 1080232242 /nfs/dbraw/zinc/23/22/42/1080232242.db2.gz JEQYOWLWROEZRE-LBPRGKRZSA-N 0 1 371.384 4.450 20 5 FIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000134460960 1080233779 /nfs/dbraw/zinc/23/37/79/1080233779.db2.gz KHUBHSHWBRDGAA-GFCCVEGCSA-N 0 1 371.384 4.450 20 5 FIBDMN COc1cc(Br)c(Nc2ccc(O)c([N+](=O)[O-])c2)cc1C ZINC001210397738 1081358044 /nfs/dbraw/zinc/35/80/44/1081358044.db2.gz FEZBXFYEUBIPRS-UHFFFAOYSA-N 0 1 353.172 4.124 20 5 FIBDMN CN1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000536021099 1081415956 /nfs/dbraw/zinc/41/59/56/1081415956.db2.gz AMXDDXQHPOGXQI-INIZCTEOSA-N 0 1 351.328 4.212 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000156715812 1082240132 /nfs/dbraw/zinc/24/01/32/1082240132.db2.gz QLGQXYWTPXIJNE-JKSUJKDBSA-N 0 1 367.449 4.442 20 5 FIBDMN Cc1cccc(C)c1NC(=O)CCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000177887741 1082273496 /nfs/dbraw/zinc/27/34/96/1082273496.db2.gz DHXPRLLMCBZQOS-UHFFFAOYSA-N 0 1 355.438 4.062 20 5 FIBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135220053 1082569875 /nfs/dbraw/zinc/56/98/75/1082569875.db2.gz YWLURLQURXFZBP-UHFFFAOYSA-N 0 1 354.341 4.130 20 5 FIBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000610539465 1082908578 /nfs/dbraw/zinc/90/85/78/1082908578.db2.gz RRUZWKXBONGXMY-SJCJKPOMSA-N 0 1 361.829 4.316 20 5 FIBDMN Cc1cc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000179372330 1083395183 /nfs/dbraw/zinc/39/51/83/1083395183.db2.gz OIZNCHTWTHESQN-QWHCGFSZSA-N 0 1 361.467 4.259 20 5 FIBDMN CCOc1ccc([C@H](C)NCc2ccc(F)c(COC)c2)cc1[N+](=O)[O-] ZINC000179425556 1083457783 /nfs/dbraw/zinc/45/77/83/1083457783.db2.gz IZGLRUWPBDMQRY-ZDUSSCGKSA-N 0 1 362.401 4.130 20 5 FIBDMN COc1cc(C)c([C@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000179623380 1083574312 /nfs/dbraw/zinc/57/43/12/1083574312.db2.gz BFZZCUOWPNUNPI-LBPRGKRZSA-N 0 1 364.829 4.425 20 5 FIBDMN CN1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000535719389 1083607969 /nfs/dbraw/zinc/60/79/69/1083607969.db2.gz VDRVJAXXTVNNHZ-KRWDZBQOSA-N 0 1 355.438 4.371 20 5 FIBDMN CN1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000535719390 1083608022 /nfs/dbraw/zinc/60/80/22/1083608022.db2.gz VDRVJAXXTVNNHZ-QGZVFWFLSA-N 0 1 355.438 4.371 20 5 FIBDMN Cc1c([C@@H](C)N[C@@H](Cn2cccn2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610821892 1083748628 /nfs/dbraw/zinc/74/86/28/1083748628.db2.gz NWLYZKIQJHYUEO-APWZRJJASA-N 0 1 350.422 4.192 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc4c(c3)COC4)o2)cc1 ZINC000610898773 1083793224 /nfs/dbraw/zinc/79/32/24/1083793224.db2.gz DSKZLUXWCULFNJ-UHFFFAOYSA-N 0 1 350.374 4.175 20 5 FIBDMN C[C@@H](c1ncc(-c2ccccc2)o1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000548933640 1083844064 /nfs/dbraw/zinc/84/40/64/1083844064.db2.gz IMIAIWKFSXGDLC-HNNXBMFYSA-N 0 1 351.406 4.485 20 5 FIBDMN CN(C)[C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000179980879 1083948110 /nfs/dbraw/zinc/94/81/10/1083948110.db2.gz WRUKZWVKSMEMMY-TZIWHRDSSA-N 0 1 365.433 4.170 20 5 FIBDMN COc1cc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc(OC)c1OC ZINC000157441121 1084383099 /nfs/dbraw/zinc/38/30/99/1084383099.db2.gz XWKSCGZOAIRBEM-ZIAGYGMSSA-N 0 1 374.437 4.341 20 5 FIBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(-c2ccc(F)cc2)no1 ZINC000511063113 1084555413 /nfs/dbraw/zinc/55/54/13/1084555413.db2.gz GOWSYHLWAGOJQW-UHFFFAOYSA-N 0 1 355.369 4.063 20 5 FIBDMN O=[N+]([O-])c1cc(CN[C@H](CC2CCC2)c2ccccc2)c2c(c1)COCO2 ZINC000180370560 1085076841 /nfs/dbraw/zinc/07/68/41/1085076841.db2.gz FUOKSKGVGDYMFG-HXUWFJFHSA-N 0 1 368.433 4.482 20 5 FIBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]1Cc1ccccc1 ZINC000479096583 1085088262 /nfs/dbraw/zinc/08/82/62/1085088262.db2.gz GQAMPMJHZIQBOP-KSSFIOAISA-N 0 1 364.405 4.023 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000124569512 1085165226 /nfs/dbraw/zinc/16/52/26/1085165226.db2.gz JDMGRCBCOGBJMY-ISPXXFMDSA-N 0 1 352.434 4.054 20 5 FIBDMN Cc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCOC2)c1 ZINC000124943138 1085219561 /nfs/dbraw/zinc/21/95/61/1085219561.db2.gz DBVZPGSFHCQPHX-IAGOWNOFSA-N 0 1 370.449 4.169 20 5 FIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCc2ccccc2C1 ZINC000106888031 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O=[N+]([O-])c1ccc(CN(Cc2ccccc2)CC2CCOCC2)c(F)c1 ZINC000491094300 1114372517 /nfs/dbraw/zinc/37/25/17/1114372517.db2.gz XVUBQOMIAUHZKF-UHFFFAOYSA-N 0 1 358.413 4.163 20 5 FIBDMN CC1CCN(c2ccc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])cn2)CC1 ZINC000571536561 1114480356 /nfs/dbraw/zinc/48/03/56/1114480356.db2.gz LUDIAMMCZJDGIQ-IBGZPJMESA-N 0 1 366.465 4.003 20 5 FIBDMN CCC[C@H](NCc1ccnc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571780190 1114537019 /nfs/dbraw/zinc/53/70/19/1114537019.db2.gz POPOAOVBEGUKNG-HNNXBMFYSA-N 0 1 351.353 4.222 20 5 FIBDMN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000056157026 1114616179 /nfs/dbraw/zinc/61/61/79/1114616179.db2.gz DTYSBUCJYRWLQL-CABCVRRESA-N 0 1 371.437 4.060 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H](c4ccccn4)C3)co2)cc1 ZINC000590600703 1114952334 /nfs/dbraw/zinc/95/23/34/1114952334.db2.gz KUCJINCHPSGRSC-MRXNPFEDSA-N 0 1 364.405 4.024 20 5 FIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000057979611 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COc1ccccc1COC1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181552238 1089282805 /nfs/dbraw/zinc/28/28/05/1089282805.db2.gz SHXFQVZRWRNJKM-UHFFFAOYSA-N 0 1 370.449 4.093 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC4(CCCCC4)CC3)o2)cc1 ZINC000102410960 1089917597 /nfs/dbraw/zinc/91/75/97/1089917597.db2.gz XYSFQHXPVOUTPF-UHFFFAOYSA-N 0 1 356.426 4.191 20 5 FIBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Br)nc2)cc1[N+](=O)[O-] ZINC000290674955 1090194711 /nfs/dbraw/zinc/19/47/11/1090194711.db2.gz LPMAGDVZURLLTP-NEPJUHHUSA-N 0 1 364.243 4.473 20 5 FIBDMN CC(C)([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000549405569 1090248467 /nfs/dbraw/zinc/24/84/67/1090248467.db2.gz YISVWOHUOSTOTP-UHFFFAOYSA-N 0 1 354.328 4.344 20 5 FIBDMN CC(=O)Nc1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417302802 1090793186 /nfs/dbraw/zinc/79/31/86/1090793186.db2.gz BTXRKZUKBDPOFW-FQEVSTJZSA-N 0 1 353.422 4.111 20 5 FIBDMN Cc1ccc2nc(CN[C@@H]3CCCCc4ccc([N+](=O)[O-])cc43)[nH]c2c1 ZINC000417317586 1090798239 /nfs/dbraw/zinc/79/82/39/1090798239.db2.gz WYSAUGHNBHDGPV-QGZVFWFLSA-N 0 1 350.422 4.337 20 5 FIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)F)ccc2Cl)s1 ZINC000584743843 1090819394 /nfs/dbraw/zinc/81/93/94/1090819394.db2.gz SIINNWKWINJHND-UHFFFAOYSA-N 0 1 368.770 4.048 20 5 FIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511628924 1090895714 /nfs/dbraw/zinc/89/57/14/1090895714.db2.gz ZJEPIBOJURBXQU-GOSISDBHSA-N 0 1 373.840 4.332 20 5 FIBDMN C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092664023 1091074437 /nfs/dbraw/zinc/07/44/37/1091074437.db2.gz DWYLAJRTKZJCGG-UHFFFAOYSA-N 0 1 367.405 4.020 20 5 FIBDMN Cc1c(CNCc2cc(Cl)c3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000327516046 1091232292 /nfs/dbraw/zinc/23/22/92/1091232292.db2.gz KKJRDURWLSPNCJ-UHFFFAOYSA-N 0 1 362.813 4.008 20 5 FIBDMN CC(C)n1cc([C@@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000279575027 1091931025 /nfs/dbraw/zinc/93/10/25/1091931025.db2.gz TYHPGXORTGSEQJ-LLVKDONJSA-N 0 1 356.348 4.242 20 5 FIBDMN CN(c1ccccc1)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000512374240 1092186009 /nfs/dbraw/zinc/18/60/09/1092186009.db2.gz DRMGXCJPOGGCLA-CLFYSBASSA-N 0 1 351.450 4.209 20 5 FIBDMN O=C(Nc1ccc(Cl)cc1-c1cccc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001270997936 1092314749 /nfs/dbraw/zinc/31/47/49/1092314749.db2.gz PESCPKAPVCASAO-UKRRQHHQSA-N 0 1 351.189 4.264 20 5 FIBDMN Cc1cccc(CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC(C)C)c1 ZINC000521195819 1092574718 /nfs/dbraw/zinc/57/47/18/1092574718.db2.gz VSLNNCAYTBCOHO-UHFFFAOYSA-N 0 1 370.449 4.428 20 5 FIBDMN COc1cc(CN2CCCCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490545428 1093114447 /nfs/dbraw/zinc/11/44/47/1093114447.db2.gz MKRATCQWBPYJJM-LBPRGKRZSA-N 0 1 358.385 4.012 20 5 FIBDMN Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433063851 1093173605 /nfs/dbraw/zinc/17/36/05/1093173605.db2.gz ZKJOABHHUIAFFD-WMZOPIPTSA-N 0 1 367.449 4.110 20 5 FIBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433063851 1093173608 /nfs/dbraw/zinc/17/36/08/1093173608.db2.gz ZKJOABHHUIAFFD-WMZOPIPTSA-N 0 1 367.449 4.110 20 5 FIBDMN CCCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCc2cccnc21 ZINC000614215630 1093207858 /nfs/dbraw/zinc/20/78/58/1093207858.db2.gz NMUZSEWMYKJSEM-QGZVFWFLSA-N 0 1 366.421 4.421 20 5 FIBDMN CCCCn1cc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(C)n1 ZINC000433218737 1093445359 /nfs/dbraw/zinc/44/53/59/1093445359.db2.gz HTOKENUQTOTOOD-LJQANCHMSA-N 0 1 356.470 4.412 20 5 FIBDMN O=[N+]([O-])c1ccc(CCN[C@@H](c2cccnc2)c2ccc(F)cc2F)cc1 ZINC000544360649 1093540524 /nfs/dbraw/zinc/54/05/24/1093540524.db2.gz VVLXADDNNLNHEY-FQEVSTJZSA-N 0 1 369.371 4.190 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000513124093 1093862175 /nfs/dbraw/zinc/86/21/75/1093862175.db2.gz ZFSVLBQLXAPVHB-OCTSTCLRSA-N 0 1 366.417 4.216 20 5 FIBDMN Cc1ccc(C)c([C@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000501286265 1094614056 /nfs/dbraw/zinc/61/40/56/1094614056.db2.gz SFLDVLFMAMYNPR-GOSISDBHSA-N 0 1 364.405 4.065 20 5 FIBDMN CCc1ccc([C@H](NCC2(COC)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000502597306 1095621875 /nfs/dbraw/zinc/62/18/75/1095621875.db2.gz TZYQPGXSOQSHRM-LJQANCHMSA-N 0 1 358.438 4.246 20 5 FIBDMN COCCC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1 ZINC000281884589 1095733484 /nfs/dbraw/zinc/73/34/84/1095733484.db2.gz GMDTWXUFDNTPEW-SFHVURJKSA-N 0 1 362.401 4.000 20 5 FIBDMN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H](C)c1ccccc1OC ZINC000434194107 1096382809 /nfs/dbraw/zinc/38/28/09/1096382809.db2.gz BBJIKQFIKONRTA-ZDUSSCGKSA-N 0 1 374.441 4.063 20 5 FIBDMN Cc1cc(NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000515550473 1098691163 /nfs/dbraw/zinc/69/11/63/1098691163.db2.gz SOTYIHOMBTXDSO-IRXDYDNUSA-N 0 1 369.465 4.125 20 5 FIBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000515559212 1098719799 /nfs/dbraw/zinc/71/97/99/1098719799.db2.gz GEIVJGZDEBABFN-LJQANCHMSA-N 0 1 372.852 4.432 20 5 FIBDMN CC[C@H](c1ccccc1)N(CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000508671903 1099477050 /nfs/dbraw/zinc/47/70/50/1099477050.db2.gz PHMXUDAIHPCMGD-LJQANCHMSA-N 0 1 356.422 4.435 20 5 FIBDMN Cc1ccc(Sc2ccc(C[N@H+](CC(=O)[O-])C(C)C)cc2[N+](=O)[O-])cc1 ZINC000263522714 1099800533 /nfs/dbraw/zinc/80/05/33/1099800533.db2.gz RVFMYCXNUIKKIW-UHFFFAOYSA-N 0 1 374.462 4.349 20 5 FIBDMN COc1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000536860051 1100378006 /nfs/dbraw/zinc/37/80/06/1100378006.db2.gz YDZGEBWYNHXTAP-INIZCTEOSA-N 0 1 354.406 4.140 20 5 FIBDMN COC1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000506282871 1100771585 /nfs/dbraw/zinc/77/15/85/1100771585.db2.gz XHPGNRLGXYVMTF-UHFFFAOYSA-N 0 1 360.385 4.137 20 5 FIBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCOc1ccccc1C(C)C ZINC000518449872 1101209170 /nfs/dbraw/zinc/20/91/70/1101209170.db2.gz SZURMUAIMJRIRI-UHFFFAOYSA-N 0 1 358.438 4.286 20 5 FIBDMN C[C@@H](N[C@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000475711767 1101423293 /nfs/dbraw/zinc/42/32/93/1101423293.db2.gz DCHBCQPQYPABHM-VXGBXAGGSA-N 0 1 371.368 4.158 20 5 FIBDMN CC(C)(C)C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000537050736 1101427700 /nfs/dbraw/zinc/42/77/00/1101427700.db2.gz XGVUATAHASPWTL-QGZVFWFLSA-N 0 1 373.428 4.100 20 5 FIBDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc2[nH]c(C)c(C)c2c1 ZINC000509604270 1101553403 /nfs/dbraw/zinc/55/34/03/1101553403.db2.gz XZBLZSBATDUTKI-UHFFFAOYSA-N 0 1 353.422 4.381 20 5 FIBDMN O=C(Nc1cc(F)ccc1Oc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476103849 1101915460 /nfs/dbraw/zinc/91/54/60/1101915460.db2.gz QMCDVXRFEIXOBI-UHFFFAOYSA-N 0 1 368.320 4.484 20 5 FIBDMN Cc1ccccc1[C@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000053279682 1102658480 /nfs/dbraw/zinc/65/84/80/1102658480.db2.gz MDXLNRKFZXZAGJ-GOSISDBHSA-N 0 1 364.405 4.290 20 5 FIBDMN COc1ccc(OC)c([C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192614841 1102697871 /nfs/dbraw/zinc/69/78/71/1102697871.db2.gz HRHPTNKWKJCHQQ-ORAYPTAESA-N 0 1 356.422 4.340 20 5 FIBDMN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000537660105 1102784455 /nfs/dbraw/zinc/78/44/55/1102784455.db2.gz ZDQHOGMJNKSCNM-QVKFZJNVSA-N 0 1 362.433 4.188 20 5 FIBDMN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507084403 1103107203 /nfs/dbraw/zinc/10/72/03/1103107203.db2.gz BGKGUCXBYBZOEE-NSHDSACASA-N 0 1 363.439 4.022 20 5 FIBDMN CSc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000507505719 1103449703 /nfs/dbraw/zinc/44/97/03/1103449703.db2.gz DNIXDLULFDQHCQ-KGLIPLIRSA-N 0 1 373.478 4.303 20 5 FIBDMN CCSc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000507554414 1103477683 /nfs/dbraw/zinc/47/76/83/1103477683.db2.gz VEGDXMPGGSVDEL-KGLIPLIRSA-N 0 1 373.478 4.385 20 5 FIBDMN CC(C)c1nc([C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n[nH]1 ZINC000536491096 1105173268 /nfs/dbraw/zinc/17/32/68/1105173268.db2.gz GPFVRAVEZGUXTA-LBPRGKRZSA-N 0 1 371.466 4.416 20 5 FIBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000427809375 1105284999 /nfs/dbraw/zinc/28/49/99/1105284999.db2.gz YYQWBPPUYHMWKR-UHFFFAOYSA-N 0 1 373.372 4.094 20 5 FIBDMN CC(C)c1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000186435641 1107097744 /nfs/dbraw/zinc/09/77/44/1107097744.db2.gz QEFKAIPPPIDDIV-NRFANRHFSA-N 0 1 352.434 4.350 20 5 FIBDMN COCC[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000451698652 1107256606 /nfs/dbraw/zinc/25/66/06/1107256606.db2.gz ZRWSDGVUOWZJCG-MRXNPFEDSA-N 0 1 368.355 4.481 20 5 FIBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000530727599 1107291321 /nfs/dbraw/zinc/29/13/21/1107291321.db2.gz BLGOABTVCCMEMM-OLZOCXBDSA-N 0 1 361.829 4.234 20 5 FIBDMN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(CN(C)C)c(Cl)c1 ZINC000475559419 1107733606 /nfs/dbraw/zinc/73/36/06/1107733606.db2.gz DJALREQFAYCYOE-UHFFFAOYSA-N 0 1 363.845 4.321 20 5 FIBDMN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1c1ccccc1 ZINC000444651924 1108048369 /nfs/dbraw/zinc/04/83/69/1108048369.db2.gz QKKTYNAHAGSCQD-PBHICJAKSA-N 0 1 350.422 4.097 20 5 FIBDMN Cc1cc([C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)ccc1F ZINC000444669618 1108073214 /nfs/dbraw/zinc/07/32/14/1108073214.db2.gz FNMJZSQEQFVUBU-IBGZPJMESA-N 0 1 354.385 4.160 20 5 FIBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCCC(F)(F)C3)cs2)c1 ZINC000531759878 1108147770 /nfs/dbraw/zinc/14/77/70/1108147770.db2.gz XYAHKWQECVGERR-LBPRGKRZSA-N 0 1 353.394 4.386 20 5 FIBDMN C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000475622723 1108458331 /nfs/dbraw/zinc/45/83/31/1108458331.db2.gz HULZNDPDXQGDNF-LLVKDONJSA-N 0 1 360.797 4.320 20 5 FIBDMN COc1ccc(-c2ccc(CNCc3sc(C)nc3C)o2)c([N+](=O)[O-])c1 ZINC000525194912 1109298640 /nfs/dbraw/zinc/29/86/40/1109298640.db2.gz LGWMIZYEWRLOTM-UHFFFAOYSA-N 0 1 373.434 4.227 20 5 FIBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(Oc2ncccc2F)CC1 ZINC000447085381 1109432051 /nfs/dbraw/zinc/43/20/51/1109432051.db2.gz IISLYUCRRBZBEJ-QINSGFPZSA-N 0 1 371.412 4.076 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(Oc2ncccc2F)CC1 ZINC000447368181 1109525186 /nfs/dbraw/zinc/52/51/86/1109525186.db2.gz PIXQQMOCUKBTNI-CQSZACIVSA-N 0 1 359.401 4.042 20 5 FIBDMN Cc1ccc(C(=O)C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000054317717 1109753593 /nfs/dbraw/zinc/75/35/93/1109753593.db2.gz QWHPOOLLKUGQJH-UHFFFAOYSA-N 0 1 352.434 4.041 20 5 FIBDMN CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H](O)C(F)F ZINC000449421573 1110069901 /nfs/dbraw/zinc/06/99/01/1110069901.db2.gz IYVZVFIDRHMFLO-HIFRSBDPSA-N 0 1 374.771 4.002 20 5 FIBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000449439908 1110080474 /nfs/dbraw/zinc/08/04/74/1110080474.db2.gz XCWUBZPIOZDDMO-QGZVFWFLSA-N 0 1 368.355 4.135 20 5 FIBDMN Cc1ccc([C@@H](C)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000539052821 1111400958 /nfs/dbraw/zinc/40/09/58/1111400958.db2.gz OERQQVYJPZIDHN-WBMJQRKESA-N 0 1 368.355 4.306 20 5 FIBDMN Cc1cc([C@H]2CCCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)C2)[nH]n1 ZINC000461937907 1111433256 /nfs/dbraw/zinc/43/32/56/1111433256.db2.gz VUJARECQGAQBGR-LBPRGKRZSA-N 0 1 368.359 4.338 20 5 FIBDMN Cc1cc([C@@H]2CCCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)C2)[nH]n1 ZINC000461937906 1111433339 /nfs/dbraw/zinc/43/33/39/1111433339.db2.gz VUJARECQGAQBGR-GFCCVEGCSA-N 0 1 368.359 4.338 20 5 FIBDMN CCOc1ccccc1[C@@H](CC)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539252803 1111487723 /nfs/dbraw/zinc/48/77/23/1111487723.db2.gz OHSNUYBGQJKJHT-RDTXWAMCSA-N 0 1 371.437 4.061 20 5 FIBDMN Cc1cc(C)c(NC(=O)[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000539279553 1111500831 /nfs/dbraw/zinc/50/08/31/1111500831.db2.gz FSPNARAKZUVHJA-HZPDHXFCSA-N 0 1 355.438 4.198 20 5 FIBDMN COc1ccc(-c2ccc(CN[C@@H](C)c3cccnc3)o2)c([N+](=O)[O-])c1 ZINC000553364943 1111958647 /nfs/dbraw/zinc/95/86/47/1111958647.db2.gz DPLPFKKKITWBMZ-ZDUSSCGKSA-N 0 1 353.378 4.109 20 5 FIBDMN Cc1ccc([C@@H](C)NCc2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000553528703 1111995148 /nfs/dbraw/zinc/99/51/48/1111995148.db2.gz FONJVZUDTCPVEW-GFCCVEGCSA-N 0 1 362.813 4.179 20 5 FIBDMN COC[C@H](N=c1ccc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 ZINC000486007376 1113488136 /nfs/dbraw/zinc/48/81/36/1113488136.db2.gz SKWPOLMZKWLCAB-KRWDZBQOSA-N 0 1 357.797 4.018 20 5 FIBDMN O=C(c1cc(C2CCCCC2)[nH]n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486068278 1113496372 /nfs/dbraw/zinc/49/63/72/1113496372.db2.gz JMWRTJOOVWDYQV-UHFFFAOYSA-N 0 1 368.437 4.170 20 5 FIBDMN CC[C@H](C)c1nc([C@H](C)NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n[nH]1 ZINC000486723257 1113630064 /nfs/dbraw/zinc/63/00/64/1113630064.db2.gz REOACJWDIYQYQR-STQMWFEESA-N 0 1 369.425 4.337 20 5 FIBDMN CC(C)(C)C[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000488730896 1113986319 /nfs/dbraw/zinc/98/63/19/1113986319.db2.gz SUYLYQGONONOJN-CYBMUJFWSA-N 0 1 353.850 4.087 20 5 FIBDMN CC(C)Oc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000055152033 1114421486 /nfs/dbraw/zinc/42/14/86/1114421486.db2.gz KCOYWIPSCGFSDR-LSDHHAIUSA-N 0 1 371.437 4.060 20 5 FIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2ccccn2)C1 ZINC000590599966 1114952363 /nfs/dbraw/zinc/95/23/63/1114952363.db2.gz HSHJYEKTHYESHK-MRXNPFEDSA-N 0 1 355.438 4.157 20 5 FIBDMN COc1ccc2c(c1)OCC[C@H]2N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348046 1115068215 /nfs/dbraw/zinc/06/82/15/1115068215.db2.gz YCPMHGRILGSIQP-WOJBJXKFSA-N 0 1 368.433 4.484 20 5 FIBDMN COc1ccc([N+](=O)[O-])cc1CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000591374458 1115071094 /nfs/dbraw/zinc/07/10/94/1115071094.db2.gz GYDCWZORGWRORK-VURMDHGXSA-N 0 1 372.406 4.086 20 5 FIBDMN COCCCOc1cc(C)ccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574053407 1115288002 /nfs/dbraw/zinc/28/80/02/1115288002.db2.gz KTONHTGKKYHIGV-IBGZPJMESA-N 0 1 370.449 4.096 20 5 FIBDMN CCc1ccc([C@@H](N[C@@H](C)Cc2ccccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000594513631 1115457809 /nfs/dbraw/zinc/45/78/09/1115457809.db2.gz 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FIBDMN CCOc1cc(CN[C@@H](CC)c2ccc(OC)c(OC)c2)ccc1[N+](=O)[O-] ZINC000510242797 1080856999 /nfs/dbraw/zinc/85/69/99/1080856999.db2.gz QEHQUINHTRZOPP-INIZCTEOSA-N 0 1 374.437 4.252 20 5 FIBDMN CC(C)(C)c1nc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2[nH]1 ZINC000177297553 1081201192 /nfs/dbraw/zinc/20/11/92/1081201192.db2.gz HMBGSGTZVOMIAQ-UHFFFAOYSA-N 0 1 356.357 4.160 20 5 FIBDMN CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)c1cccc(OC)c1 ZINC000083175661 1081284888 /nfs/dbraw/zinc/28/48/88/1081284888.db2.gz GYKRUGVOEBPKAU-ZDUSSCGKSA-N 0 1 355.394 4.328 20 5 FIBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175827178 1081369259 /nfs/dbraw/zinc/36/92/59/1081369259.db2.gz VKBYHJYIYZLYSV-HOCLYGCPSA-N 0 1 366.870 4.398 20 5 FIBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000610476342 1082300524 /nfs/dbraw/zinc/30/05/24/1082300524.db2.gz OKXFMBDBWPSEGS-XLIONFOSSA-N 0 1 358.413 4.334 20 5 FIBDMN Cc1ccccc1[C@@H]1C[C@@H](C)N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 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CC[C@@H]1C[C@@]1(NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502484228 1095513631 /nfs/dbraw/zinc/51/36/31/1095513631.db2.gz WVHVOKMFRGYRSO-IERDGZPVSA-N 0 1 367.449 4.065 20 5 FIBDMN CNc1ccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000522850878 1095786426 /nfs/dbraw/zinc/78/64/26/1095786426.db2.gz QMLZYTIPMYKDPV-UHFFFAOYSA-N 0 1 365.393 4.033 20 5 FIBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](c2ccccc2Cl)C(C)C)c1[N+](=O)[O-] ZINC000444263701 1095915093 /nfs/dbraw/zinc/91/50/93/1095915093.db2.gz BJRKACWUGKQOER-OAHLLOKOSA-N 0 1 364.833 4.003 20 5 FIBDMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163982385 1096115294 /nfs/dbraw/zinc/11/52/94/1096115294.db2.gz NLJJHTXKFXTTNO-HNNXBMFYSA-N 0 1 364.449 4.307 20 5 FIBDMN Cc1c(CNCc2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000231884702 1096125510 /nfs/dbraw/zinc/12/55/10/1096125510.db2.gz IFDSSQCIRGXDEA-UHFFFAOYSA-N 0 1 353.191 4.095 20 5 FIBDMN O=[N+]([O-])c1cccc(CNCc2cc3cc(Br)ccc3[nH]2)c1 ZINC000183822770 1096219672 /nfs/dbraw/zinc/21/96/72/1096219672.db2.gz UDCQMIAAWJGUFA-UHFFFAOYSA-N 0 1 360.211 4.128 20 5 FIBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503437664 1096402658 /nfs/dbraw/zinc/40/26/58/1096402658.db2.gz FOINJGUOMDBYGI-CQSZACIVSA-N 0 1 374.872 4.161 20 5 FIBDMN Cc1ccc([C@H](C)N[C@H]2CC(C)(C)Oc3ccc(N)cc32)cc1[N+](=O)[O-] ZINC000423429852 1096682695 /nfs/dbraw/zinc/68/26/95/1096682695.db2.gz SZJLLGBHHNLIGK-GUYCJALGSA-N 0 1 355.438 4.438 20 5 FIBDMN Cc1ccc(C)c([C@@H](C)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000532976727 1098646000 /nfs/dbraw/zinc/64/60/00/1098646000.db2.gz DIZJOFZAMWRSEG-MRXNPFEDSA-N 0 1 355.438 4.152 20 5 FIBDMN CCCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000533289393 1098938943 /nfs/dbraw/zinc/93/89/43/1098938943.db2.gz IFBFBZYVPCZZRZ-HNNXBMFYSA-N 0 1 355.438 4.057 20 5 FIBDMN C[C@@H](Cc1nnc(SCc2cc(O)ccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000436477521 1099053393 /nfs/dbraw/zinc/05/33/93/1099053393.db2.gz XZMNMDHUEZVGPV-LBPRGKRZSA-N 0 1 371.418 4.322 20 5 FIBDMN CCN(CC)[C@H](c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000516114384 1099195619 /nfs/dbraw/zinc/19/56/19/1099195619.db2.gz GTBXCYIYGIOWDH-SFHVURJKSA-N 0 1 366.421 4.384 20 5 FIBDMN Cc1cc([C@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)oc1C(=O)[O-] ZINC000516787127 1099798749 /nfs/dbraw/zinc/79/87/49/1099798749.db2.gz NCYHNHYMPCFRDZ-DZGCQCFKSA-N 0 1 358.394 4.135 20 5 FIBDMN O=[N+]([O-])c1cccc(CN(Cc2c[nH]nc2-c2ccsc2)C2CC2)c1 ZINC000437574413 1099995263 /nfs/dbraw/zinc/99/52/63/1099995263.db2.gz FINGXGVRHQCLGK-UHFFFAOYSA-N 0 1 354.435 4.211 20 5 FIBDMN COc1cc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000428706691 1100067851 /nfs/dbraw/zinc/06/78/51/1100067851.db2.gz JEJJCEGFNGQUDX-MRXNPFEDSA-N 0 1 372.812 4.475 20 5 FIBDMN CCCOc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OCCC ZINC000506110030 1100115943 /nfs/dbraw/zinc/11/59/43/1100115943.db2.gz PIFYGGJVPGXMQG-UHFFFAOYSA-N 0 1 374.393 4.130 20 5 FIBDMN 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FDRMPNJWGXOUEU-UHFFFAOYSA-N 0 1 359.332 4.034 20 5 FIBDMN O=[N+]([O-])c1cc(-c2nc(-c3ccc(O)c(F)c3)no2)cc(C(F)(F)F)c1 ZINC000445482207 1108802115 /nfs/dbraw/zinc/80/21/15/1108802115.db2.gz PHLWFYKYLLSNPN-UHFFFAOYSA-N 0 1 369.230 4.175 20 5 FIBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(Oc2ncccc2F)CC1 ZINC000447085379 1109431637 /nfs/dbraw/zinc/43/16/37/1109431637.db2.gz IISLYUCRRBZBEJ-NTCAYCPXSA-N 0 1 371.412 4.076 20 5 FIBDMN Cc1ccccc1C[C@H](C)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000447402685 1109534965 /nfs/dbraw/zinc/53/49/65/1109534965.db2.gz ADLCOLMDZAAQDR-HNNXBMFYSA-N 0 1 366.421 4.016 20 5 FIBDMN Cc1ccc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000022733426 1109624088 /nfs/dbraw/zinc/62/40/88/1109624088.db2.gz GSKZQNWDAAIONW-GFCCVEGCSA-N 0 1 370.434 4.207 20 5 FIBDMN COc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OCC(C)C ZINC000449348247 1110037258 /nfs/dbraw/zinc/03/72/58/1110037258.db2.gz KVZUUXFEJWHYNW-HNNXBMFYSA-N 0 1 358.438 4.489 20 5 FIBDMN 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Cc1ccc2nc([C@H]3CCCN(Cc4ccc([N+](=O)[O-])cc4F)C3)[nH]c2c1 ZINC000539247584 1111485683 /nfs/dbraw/zinc/48/56/83/1111485683.db2.gz IDUPLAURYWXVAO-HNNXBMFYSA-N 0 1 368.412 4.298 20 5 FIBDMN CCOc1ccccc1[C@H](CC)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539252801 1111487627 /nfs/dbraw/zinc/48/76/27/1111487627.db2.gz OHSNUYBGQJKJHT-KDOFPFPSSA-N 0 1 371.437 4.061 20 5 FIBDMN CC(C)(C)[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000539334060 1111517673 /nfs/dbraw/zinc/51/76/73/1111517673.db2.gz LTXJGUZVOZRBKP-GOSISDBHSA-N 0 1 359.401 4.049 20 5 FIBDMN Cc1cccc([C@@H](C)CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000552244433 1111636257 /nfs/dbraw/zinc/63/62/57/1111636257.db2.gz AFMFJVRTCFKNKZ-JXFKEZNVSA-N 0 1 364.449 4.119 20 5 FIBDMN Cc1c(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)cccc1[N+](=O)[O-] ZINC000479464434 1112034464 /nfs/dbraw/zinc/03/44/64/1112034464.db2.gz VCWBOWCLNBUOJS-LJQANCHMSA-N 0 1 362.433 4.256 20 5 FIBDMN Cc1c(CNCc2cccc(OCc3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000480449584 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4.401 20 5 FIBDMN CCn1c2ccccc2nc1[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000490152633 1114219006 /nfs/dbraw/zinc/21/90/06/1114219006.db2.gz OQQXGOQGEIXEFI-HXUWFJFHSA-N 0 1 364.449 4.344 20 5 FIBDMN CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=S)[C@@H]1CCc2ccccc21 ZINC000029312869 1114278645 /nfs/dbraw/zinc/27/86/45/1114278645.db2.gz MSUQMAAJIHTWRP-OAHLLOKOSA-N 0 1 355.419 4.449 20 5 FIBDMN CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000055152030 1114421393 /nfs/dbraw/zinc/42/13/93/1114421393.db2.gz KCOYWIPSCGFSDR-CABCVRRESA-N 0 1 371.437 4.060 20 5 FIBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccccc1N1CCCCC1 ZINC000571225293 1114448250 /nfs/dbraw/zinc/44/82/50/1114448250.db2.gz YCAYLSYBZUMNTC-IBGZPJMESA-N 0 1 351.450 4.362 20 5 FIBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc21 ZINC000056197256 1114658139 /nfs/dbraw/zinc/65/81/39/1114658139.db2.gz ZXQRWEJZDGTIHS-LSDHHAIUSA-N 0 1 363.417 4.426 20 5 FIBDMN COC(=O)c1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Cl 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PFMAYAXZWBCLQK-CQSZACIVSA-N 0 1 351.406 4.201 20 5 FIBDMN CC[C@@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000593019697 1115537739 /nfs/dbraw/zinc/53/77/39/1115537739.db2.gz IUHFBUJIOOUHAR-MRXNPFEDSA-N 0 1 362.813 4.276 20 5 FIBDMN COc1cc(CN(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000595514782 1115539552 /nfs/dbraw/zinc/53/95/52/1115539552.db2.gz JMNHPDPXXRKWJV-NSHDSACASA-N 0 1 374.828 4.326 20 5 FIBDMN CCn1nccc1CN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596096670 1115574832 /nfs/dbraw/zinc/57/48/32/1115574832.db2.gz WXMIXKRFPAKYBW-ZDUSSCGKSA-N 0 1 356.451 4.391 20 5 FIBDMN CC(=O)c1ccc(NC[C@H](c2ccc(C)cc2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000060862695 1115719870 /nfs/dbraw/zinc/71/98/70/1115719870.db2.gz LVFXVAAFPBWERG-OAQYLSRUSA-N 0 1 367.449 4.355 20 5 FIBDMN CC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(C)ccc1C ZINC000599008257 1115776703 /nfs/dbraw/zinc/77/67/03/1115776703.db2.gz XFRASESFQPPWKT-LJQANCHMSA-N 0 1 356.422 4.319 20 5 FIBDMN CCc1ccc([C@H](NCC[C@@H]2CCCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599058147 1115785228 /nfs/dbraw/zinc/78/52/28/1115785228.db2.gz RRBGXWJOXUYUOF-MGPUTAFESA-N 0 1 358.438 4.246 20 5 FIBDMN CCOc1ccc([C@H](C)N[C@H](c2ccc(OC)nc2)C2CC2)cc1[N+](=O)[O-] ZINC000599095992 1115789169 /nfs/dbraw/zinc/78/91/69/1115789169.db2.gz KCIILGFBIZDBPX-RBZFPXEDSA-N 0 1 371.437 4.199 20 5 FIBDMN Cc1sc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000061230437 1115807501 /nfs/dbraw/zinc/80/75/01/1115807501.db2.gz WAGQZBVJLQICDW-CQSZACIVSA-N 0 1 370.434 4.127 20 5 FIBDMN CC[C@@H](C[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000593740405 1115813457 /nfs/dbraw/zinc/81/34/57/1115813457.db2.gz XHIXKCATBRCFIE-HNNXBMFYSA-N 0 1 356.422 4.309 20 5 FIBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599640064 1115833437 /nfs/dbraw/zinc/83/34/37/1115833437.db2.gz AKIOQYXCKSLFMN-AWEZNQCLSA-N 0 1 370.453 4.261 20 5 FIBDMN Cc1c(NC(=O)[C@@H](C)N2CCC3(CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000608833422 1116130801 /nfs/dbraw/zinc/13/08/01/1116130801.db2.gz XQJZXTYSCQDCCZ-MRXNPFEDSA-N 0 1 359.470 4.277 20 5 FIBDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000534497364 1116207795 /nfs/dbraw/zinc/20/77/95/1116207795.db2.gz UUCCYNWMSNFLSK-UHFFFAOYSA-N 0 1 350.378 4.162 20 5 FIBDMN CCCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCCCO1 ZINC000089912261 1116351669 /nfs/dbraw/zinc/35/16/69/1116351669.db2.gz YZYIRMVOOMYVJF-GOSISDBHSA-N 0 1 359.426 4.031 20 5 FIBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](OC)c1ccc(Cl)cc1 ZINC000462737998 1117742966 /nfs/dbraw/zinc/74/29/66/1117742966.db2.gz JVTFSFAVNVPWKA-SFHVURJKSA-N 0 1 364.829 4.124 20 5 FIBDMN CC(C)c1ccc(CN[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000462738234 1117743486 /nfs/dbraw/zinc/74/34/86/1117743486.db2.gz YNJKKKQHDGFTTE-DNVCBOLYSA-N 0 1 367.449 4.002 20 5 FIBDMN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000463189537 1118006458 /nfs/dbraw/zinc/00/64/58/1118006458.db2.gz ATIASSCSAWWBQR-GPDMMJAESA-N 0 1 368.424 4.025 20 5 FIBDMN CCC[C@H](NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000540476992 1118079046 /nfs/dbraw/zinc/07/90/46/1118079046.db2.gz GUGPUYXIJUXFQF-LPHOPBHVSA-N 0 1 369.465 4.211 20 5 FIBDMN CCN(CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000463948274 1118384559 /nfs/dbraw/zinc/38/45/59/1118384559.db2.gz GKYVLBICMLDNJE-KRWDZBQOSA-N 0 1 374.441 4.009 20 5 FIBDMN CCc1ccc([C@H](NCC2(CCO)CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543869 1118549556 /nfs/dbraw/zinc/54/95/56/1118549556.db2.gz UCGVYJPNWDWKLW-HXUWFJFHSA-N 0 1 372.465 4.372 20 5 FIBDMN COc1ccc([C@H](OC)[C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000541555807 1118561909 /nfs/dbraw/zinc/56/19/09/1118561909.db2.gz NNRDBWMOXYQDJU-KPZWWZAWSA-N 0 1 364.829 4.123 20 5 FIBDMN Cc1ccc([C@H](C)NCc2cccc(NC(=O)C3CCC3)c2)cc1[N+](=O)[O-] ZINC000122450033 1118567542 /nfs/dbraw/zinc/56/75/42/1118567542.db2.gz QYQAGDGIFBEMKU-HNNXBMFYSA-N 0 1 367.449 4.493 20 5 FIBDMN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000541626908 1118587872 /nfs/dbraw/zinc/58/78/72/1118587872.db2.gz ISNKUJLEEOKQQO-MNOVXSKESA-N 0 1 367.858 4.378 20 5 FIBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@]3(CCCOC3)C2)c1 ZINC000549865182 1118953154 /nfs/dbraw/zinc/95/31/54/1118953154.db2.gz DDTFDXISMCJRBG-INIZCTEOSA-N 0 1 358.360 4.006 20 5 FIBDMN CCN(CCNc1cc(C)nc2c1cccc2[N+](=O)[O-])CCC(F)(F)F ZINC000491601741 1118967653 /nfs/dbraw/zinc/96/76/53/1118967653.db2.gz NXKJKMHIBFMOOM-UHFFFAOYSA-N 0 1 370.375 4.138 20 5 FIBDMN CC[C@@H]1CCCCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491890270 1118990750 /nfs/dbraw/zinc/99/07/50/1118990750.db2.gz NMNXEASCPHSPFO-CYBMUJFWSA-N 0 1 358.385 4.012 20 5 FIBDMN CCCn1ccc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc21 ZINC000460831941 1119075457 /nfs/dbraw/zinc/07/54/57/1119075457.db2.gz VSFALUPPDYUKLO-UHFFFAOYSA-N 0 1 373.434 4.069 20 5 FIBDMN CC(C)(NCc1ccc(OCC(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000492445211 1119094690 /nfs/dbraw/zinc/09/46/90/1119094690.db2.gz UMLKJRRBVFYSSD-UHFFFAOYSA-N 0 1 350.365 4.264 20 5 FIBDMN CCOc1cc(CN(C)[C@@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000492533205 1119119655 /nfs/dbraw/zinc/11/96/55/1119119655.db2.gz IXDFHWVYKOUIPH-MRXNPFEDSA-N 0 1 361.467 4.268 20 5 FIBDMN CCOc1cc(CN2CCC(n3c(C)ccc3C)CC2)ccc1[N+](=O)[O-] ZINC000492795077 1119193510 /nfs/dbraw/zinc/19/35/10/1119193510.db2.gz YOSKDRBGPRJJHI-UHFFFAOYSA-N 0 1 357.454 4.249 20 5 FIBDMN CCOc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2)cc1OCC ZINC000492937233 1119218455 /nfs/dbraw/zinc/21/84/55/1119218455.db2.gz QGVWFFMKYKEIMR-AWEZNQCLSA-N 0 1 374.437 4.252 20 5 FIBDMN C[C@@H](CC(=O)OC(C)(C)C)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494036511 1119526689 /nfs/dbraw/zinc/52/66/89/1119526689.db2.gz CVVNKTZOTUPQCL-MGPUTAFESA-N 0 1 370.449 4.394 20 5 FIBDMN C[C@H](CC(=O)OC(C)(C)C)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494036510 1119527005 /nfs/dbraw/zinc/52/70/05/1119527005.db2.gz CVVNKTZOTUPQCL-FOIQADDNSA-N 0 1 370.449 4.394 20 5 FIBDMN CCc1ccc([C@H](NCCc2csc(C)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542477347 1119626917 /nfs/dbraw/zinc/62/69/17/1119626917.db2.gz HKHAUPFLPDWTHS-LJQANCHMSA-N 0 1 371.462 4.437 20 5 FIBDMN CC(C)[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccnc1 ZINC000494491941 1119879365 /nfs/dbraw/zinc/87/93/65/1119879365.db2.gz FGDPXFNPVLEUGF-INIZCTEOSA-N 0 1 353.344 4.496 20 5 FIBDMN CCC[C@H](NCc1cccnc1OCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000090941750 1121160651 /nfs/dbraw/zinc/16/06/51/1121160651.db2.gz QRVHMTZIQVDWQR-INIZCTEOSA-N 0 1 365.380 4.265 20 5 FIBDMN CCCCc1nc2ccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])cc2[nH]1 ZINC000194496051 1121305992 /nfs/dbraw/zinc/30/59/92/1121305992.db2.gz ZPZCAZDLZXOUSQ-UHFFFAOYSA-N 0 1 352.394 4.374 20 5 FIBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1Cl ZINC000154166912 1121841721 /nfs/dbraw/zinc/84/17/21/1121841721.db2.gz ICUQQEZKQYFWMB-CJNGLKHVSA-N 0 1 366.870 4.398 20 5 FIBDMN O=[N+]([O-])c1ccccc1OCCN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000917095331 1122124324 /nfs/dbraw/zinc/12/43/24/1122124324.db2.gz IBRSEJIXXWJRPU-UHFFFAOYSA-N 0 1 363.417 4.244 20 5 FIBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000497522172 1122264235 /nfs/dbraw/zinc/26/42/35/1122264235.db2.gz UHFXFJUUPXNSDA-AWEZNQCLSA-N 0 1 358.785 4.006 20 5 FIBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000920157808 1123386182 /nfs/dbraw/zinc/38/61/82/1123386182.db2.gz KGJIFULQFVOKHX-ZDUSSCGKSA-N 0 1 351.362 4.211 20 5 FIBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000920157450 1123386271 /nfs/dbraw/zinc/38/62/71/1123386271.db2.gz KGJIFULQFVOKHX-CYBMUJFWSA-N 0 1 351.362 4.211 20 5 FIBDMN CC(C)(CCc1ccccc1)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000170811050 1123429571 /nfs/dbraw/zinc/42/95/71/1123429571.db2.gz BJAWUUUVPAPPTH-UHFFFAOYSA-N 0 1 366.421 4.146 20 5 FIBDMN O=C(OC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000920798522 1123520663 /nfs/dbraw/zinc/52/06/63/1123520663.db2.gz IRHGFQOKKTXHJB-UHFFFAOYSA-N 0 1 358.300 4.148 20 5 FIBDMN CC[C@@H]1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000609766766 1123824844 /nfs/dbraw/zinc/82/48/44/1123824844.db2.gz PABJCWCFZKRJNZ-GFCCVEGCSA-N 0 1 358.385 4.217 20 5 FIBDMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000610001988 1123913058 /nfs/dbraw/zinc/91/30/58/1123913058.db2.gz ROEIIVKIJFVSAX-HZPDHXFCSA-N 0 1 368.433 4.148 20 5 FIBDMN CCc1cccc(CC)c1NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181812189 1125141935 /nfs/dbraw/zinc/14/19/35/1125141935.db2.gz JLFFLIBDLYWKLF-OAHLLOKOSA-N 0 1 369.465 4.317 20 5 FIBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000181819316 1125143745 /nfs/dbraw/zinc/14/37/45/1125143745.db2.gz FGIRCPXHPQYJOC-CYBMUJFWSA-N 0 1 361.829 4.154 20 5 FIBDMN Cc1ccc([C@@H](C)NCc2ccc(C(=O)OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000181834350 1125154056 /nfs/dbraw/zinc/15/40/56/1125154056.db2.gz VMGUIXWRGWRZBB-OAHLLOKOSA-N 0 1 356.422 4.319 20 5 FIBDMN CN(c1ccccc1)c1ccc(CN2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000618614670 1125223113 /nfs/dbraw/zinc/22/31/13/1125223113.db2.gz QYIRJPKLJVPOMY-UHFFFAOYSA-N 0 1 367.449 4.118 20 5 FIBDMN C[N@H+]1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000301793446 1125299170 /nfs/dbraw/zinc/29/91/70/1125299170.db2.gz PCVPSFMGSSLPIX-DIFFPNOSSA-N 0 1 367.421 4.430 20 5 FIBDMN COc1cccc2c1OCC[C@@H]2N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618987561 1125412299 /nfs/dbraw/zinc/41/22/99/1125412299.db2.gz GCBMWPAPFGSPBY-ZWKOTPCHSA-N 0 1 368.433 4.439 20 5 FIBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000481387438 567876494 /nfs/dbraw/zinc/87/64/94/567876494.db2.gz BSRJNFDSDMZGLX-GTNSWQLSSA-N 0 1 352.793 4.253 20 5 FIBDMN CC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000541809654 567884305 /nfs/dbraw/zinc/88/43/05/567884305.db2.gz WRNSPDXZTYZJMA-UHFFFAOYSA-N 0 1 374.418 4.256 20 5 FIBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000481851027 568159802 /nfs/dbraw/zinc/15/98/02/568159802.db2.gz HLPDKGOUJPEKET-AWEZNQCLSA-N 0 1 358.785 4.006 20 5 FIBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000569019684 568272602 /nfs/dbraw/zinc/27/26/02/568272602.db2.gz NJQMDOCFZIJVPS-DFQSSKMNSA-N 0 1 356.397 4.231 20 5 FIBDMN CCCN(C(=O)c1ccc(CN(CC)CC)o1)c1cccc([N+](=O)[O-])c1 ZINC000619663086 1125643932 /nfs/dbraw/zinc/64/39/32/1125643932.db2.gz DJPMCBNOIZMGLQ-UHFFFAOYSA-N 0 1 359.426 4.086 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccccc1C(F)(F)F ZINC000430199001 1079908069 /nfs/dbraw/zinc/90/80/69/1079908069.db2.gz ASIGNCNHKHOAHD-LLVKDONJSA-N 0 1 354.328 4.473 20 5 FIBDMN CCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCc2ccccc21 ZINC001167205857 1080843310 /nfs/dbraw/zinc/84/33/10/1080843310.db2.gz KBWVNBDNZVBIHB-IBGZPJMESA-N 0 1 350.422 4.371 20 5 FIBDMN COCc1cccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC001648811636 1081127370 /nfs/dbraw/zinc/12/73/70/1081127370.db2.gz SLGYKOBYBRUYNH-UHFFFAOYSA-N 0 1 352.390 4.291 20 5 FIBDMN CC(C)(C)[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001167406870 1081963166 /nfs/dbraw/zinc/96/31/66/1081963166.db2.gz YAULVNIMCRBFGT-AWEZNQCLSA-N 0 1 358.442 4.293 20 5 FIBDMN COc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1Br ZINC000177856765 1082215674 /nfs/dbraw/zinc/21/56/74/1082215674.db2.gz HDZMQCWXQDXPAC-LLVKDONJSA-N 0 1 365.227 4.217 20 5 FIBDMN CCc1ccc([C@H](NCCC(O)(CC)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000471785991 1082987692 /nfs/dbraw/zinc/98/76/92/1082987692.db2.gz GITNUPDFLRDYKJ-LJQANCHMSA-N 0 1 360.454 4.370 20 5 FIBDMN CCOCc1ccccc1CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000891744139 1083094801 /nfs/dbraw/zinc/09/48/01/1083094801.db2.gz ZDLRYRYYDHMBIU-UHFFFAOYSA-N 0 1 351.406 4.022 20 5 FIBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430941355 1083244703 /nfs/dbraw/zinc/24/47/03/1083244703.db2.gz WAXOMFYPGICAMG-HKUYNNGSSA-N 0 1 354.450 4.380 20 5 FIBDMN Cc1cc(NCc2ccc(Br)o2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302519634 1083281091 /nfs/dbraw/zinc/28/10/91/1083281091.db2.gz WXZHQECEJUOUQJ-UHFFFAOYSA-N 0 1 362.183 4.419 20 5 FIBDMN CC1(c2ccccc2)CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000510804198 1083320775 /nfs/dbraw/zinc/32/07/75/1083320775.db2.gz SSZYUAWFUDRVAM-UHFFFAOYSA-N 0 1 368.433 4.015 20 5 FIBDMN CCOc1ccc([C@@H](C)NCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000179392968 1083441512 /nfs/dbraw/zinc/44/15/12/1083441512.db2.gz ZGIBHBLJIZTBIY-GFCCVEGCSA-N 0 1 366.364 4.446 20 5 FIBDMN CCOc1ccccc1[C@H](CC)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179751600 1083615602 /nfs/dbraw/zinc/61/56/02/1083615602.db2.gz QQPBRAIHLNDBCF-ZBFHGGJFSA-N 0 1 371.437 4.061 20 5 FIBDMN COCCCOc1cc(C)ccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167227596 1083678483 /nfs/dbraw/zinc/67/84/83/1083678483.db2.gz ZEJAPJOHUFIYQR-INIZCTEOSA-N 0 1 358.438 4.169 20 5 FIBDMN Cc1noc(C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c2ccccc2)n1 ZINC000277000616 1083705402 /nfs/dbraw/zinc/70/54/02/1083705402.db2.gz AGXOWVNYRJBGIC-KSSFIOAISA-N 0 1 366.421 4.229 20 5 FIBDMN Cc1ccc([C@H](C)NCc2ccnn2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000610831457 1083746170 /nfs/dbraw/zinc/74/61/70/1083746170.db2.gz WPXOASYWIRWSCV-KRWDZBQOSA-N 0 1 364.449 4.193 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000610821899 1083749357 /nfs/dbraw/zinc/74/93/57/1083749357.db2.gz OIHIBYWYQXAXRP-UZLBHIALSA-N 0 1 350.422 4.192 20 5 FIBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000610916785 1083849398 /nfs/dbraw/zinc/84/93/98/1083849398.db2.gz ZQUMKVLOXDRNQW-UHFFFAOYSA-N 0 1 371.224 4.020 20 5 FIBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000177451369 1083970289 /nfs/dbraw/zinc/97/02/89/1083970289.db2.gz PDBHFLMGZDKSQM-SJLPKXTDSA-N 0 1 362.401 4.195 20 5 FIBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccnc(N2CCCCCC2)c1 ZINC000579971300 1084310262 /nfs/dbraw/zinc/31/02/62/1084310262.db2.gz ADGGTIRUTGZHAV-IBGZPJMESA-N 0 1 366.465 4.147 20 5 FIBDMN CCOc1ccc([C@@H](C)N[C@H]2CCOc3c(OC)cccc32)cc1[N+](=O)[O-] ZINC000611335843 1084548128 /nfs/dbraw/zinc/54/81/28/1084548128.db2.gz XNAOPCJBLQMIBE-CJNGLKHVSA-N 0 1 372.421 4.177 20 5 FIBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000263463818 1084567947 /nfs/dbraw/zinc/56/79/47/1084567947.db2.gz CGVPNSVZLJFUHP-SKDZVZGDSA-N 0 1 370.405 4.073 20 5 FIBDMN CCOCCOc1cc(C)ccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582557075 1084757412 /nfs/dbraw/zinc/75/74/12/1084757412.db2.gz UNETVPLHSQGJQO-LJQANCHMSA-N 0 1 370.449 4.096 20 5 FIBDMN CCc1ccc([C@H](NC[C@@H]2C[C@@H](C)O[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414255461 1084919046 /nfs/dbraw/zinc/91/90/46/1084919046.db2.gz JPPLDZIMMUXBJF-SUVVTNLASA-N 0 1 358.438 4.243 20 5 FIBDMN CCC(CC)c1nnc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])s1 ZINC000176728708 1085368489 /nfs/dbraw/zinc/36/84/89/1085368489.db2.gz XNPUASRIUAIPJF-UHFFFAOYSA-N 0 1 352.391 4.050 20 5 FIBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000178635955 1085409049 /nfs/dbraw/zinc/40/90/49/1085409049.db2.gz AKYOWAPCCJRFNB-UHFFFAOYSA-N 0 1 364.283 4.051 20 5 FIBDMN Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000108482714 1085515823 /nfs/dbraw/zinc/51/58/23/1085515823.db2.gz SPEQRNLGYDIDFS-LLVKDONJSA-N 0 1 364.361 4.017 20 5 FIBDMN CC(C)C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000108675543 1085531772 /nfs/dbraw/zinc/53/17/72/1085531772.db2.gz VZAIXDDRJILKBP-AWEZNQCLSA-N 0 1 358.423 4.050 20 5 FIBDMN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)Cc1ccsc1 ZINC000187797761 1085557104 /nfs/dbraw/zinc/55/71/04/1085557104.db2.gz NHHNGPQRHNMUMG-CYBMUJFWSA-N 0 1 372.450 4.159 20 5 FIBDMN C[C@@H](NCc1cc(F)cc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178648425 1085569025 /nfs/dbraw/zinc/56/90/25/1085569025.db2.gz AAKYYANKUPOSSY-SNVBAGLBSA-N 0 1 353.191 4.347 20 5 FIBDMN Cc1ccc([C@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1C ZINC000109136379 1085594922 /nfs/dbraw/zinc/59/49/22/1085594922.db2.gz FNNMVKKEHRKWGM-GOSISDBHSA-N 0 1 364.405 4.065 20 5 FIBDMN C[C@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178660281 1085686159 /nfs/dbraw/zinc/68/61/59/1085686159.db2.gz YOQVOUMVZBELMR-AWEZNQCLSA-N 0 1 356.422 4.401 20 5 FIBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000178685007 1085809891 /nfs/dbraw/zinc/80/98/91/1085809891.db2.gz UAIMFBLNVHOTFZ-CHWSQXEVSA-N 0 1 361.829 4.234 20 5 FIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000061228303 1085837231 /nfs/dbraw/zinc/83/72/31/1085837231.db2.gz BHZNGYLJHWTZNE-GOSISDBHSA-N 0 1 364.405 4.065 20 5 FIBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)c1ccccc1 ZINC000585754744 1086688222 /nfs/dbraw/zinc/68/82/22/1086688222.db2.gz YYXAJSZDLXTGFO-UHFFFAOYSA-N 0 1 361.829 4.054 20 5 FIBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-] ZINC000081281773 1087304422 /nfs/dbraw/zinc/30/44/22/1087304422.db2.gz CTUMKENFSYNIBW-AWEZNQCLSA-N 0 1 364.405 4.127 20 5 FIBDMN Cc1c(CNCc2ccc(OC(F)F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000480452917 1087470918 /nfs/dbraw/zinc/47/09/18/1087470918.db2.gz IOKXTXNJJYGYQU-UHFFFAOYSA-N 0 1 356.756 4.448 20 5 FIBDMN COC(=O)CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000180666892 1088010668 /nfs/dbraw/zinc/01/06/68/1088010668.db2.gz WRTGRGPWEHEAHS-QAPCUYQASA-N 0 1 356.422 4.248 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCO[C@@H](CF)C3)o2)c(Cl)c1 ZINC000414475615 1088690276 /nfs/dbraw/zinc/69/02/76/1088690276.db2.gz HJTVOHKWECDARF-AWEZNQCLSA-N 0 1 368.792 4.069 20 5 FIBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@@H](c3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000434891566 1089098553 /nfs/dbraw/zinc/09/85/53/1089098553.db2.gz IYAINUNAZZKEDM-SOLBZPMBSA-N 0 1 367.449 4.108 20 5 FIBDMN Cc1noc(C[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc2)n1 ZINC000517476588 1089597884 /nfs/dbraw/zinc/59/78/84/1089597884.db2.gz JXAGLGYNUFWCKN-IFXJQAMLSA-N 0 1 366.421 4.229 20 5 FIBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000101594912 1089808560 /nfs/dbraw/zinc/80/85/60/1089808560.db2.gz XXROPVQLRUJYDL-GFCCVEGCSA-N 0 1 354.328 4.387 20 5 FIBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000103466617 1090101704 /nfs/dbraw/zinc/10/17/04/1090101704.db2.gz COMLFENJIODWQH-CYBMUJFWSA-N 0 1 355.369 4.255 20 5 FIBDMN O=[N+]([O-])c1ccccc1CN(C[C@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759851966 1091327260 /nfs/dbraw/zinc/32/72/60/1091327260.db2.gz XDNMZDNDMJUDQD-SFHVURJKSA-N 0 1 364.804 4.085 20 5 FIBDMN O=C(Nc1ccc(F)cc1OC1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000613999844 1092041646 /nfs/dbraw/zinc/04/16/46/1092041646.db2.gz QFCCSRNJGDSNMJ-UHFFFAOYSA-N 0 1 360.341 4.013 20 5 FIBDMN O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000500703414 1092389900 /nfs/dbraw/zinc/38/99/00/1092389900.db2.gz WAONRWAOVAIGKO-UHFFFAOYSA-N 0 1 365.345 4.085 20 5 FIBDMN COc1ccc2cc(C[N@H+](C)Cc3cc([O-])ccc3[N+](=O)[O-])ccc2c1 ZINC000549750444 1092753544 /nfs/dbraw/zinc/75/35/44/1092753544.db2.gz GUVCVCVRGPVLJX-UHFFFAOYSA-N 0 1 352.390 4.094 20 5 FIBDMN COc1ccc2cc(C[N@@H+](C)Cc3cc([O-])ccc3[N+](=O)[O-])ccc2c1 ZINC000549750444 1092753552 /nfs/dbraw/zinc/75/35/52/1092753552.db2.gz GUVCVCVRGPVLJX-UHFFFAOYSA-N 0 1 352.390 4.094 20 5 FIBDMN Cc1nn(C(C)C)c(C)c1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000894082484 1092890288 /nfs/dbraw/zinc/89/02/88/1092890288.db2.gz YWHMLVKHELECCX-UHFFFAOYSA-N 0 1 370.375 4.298 20 5 FIBDMN CCOc1c(OC)cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000126960142 1093197595 /nfs/dbraw/zinc/19/75/95/1093197595.db2.gz YCMOVKMJSBSZSQ-CQSZACIVSA-N 0 1 374.437 4.170 20 5 FIBDMN C[C@@]1(c2ccccc2)CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000522223731 1093219393 /nfs/dbraw/zinc/21/93/93/1093219393.db2.gz CKMATGPEWQIBCR-OAQYLSRUSA-N 0 1 368.433 4.015 20 5 FIBDMN CC1(C)C[C@@H](NCc2cnn(-c3ccccc3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433133944 1093315360 /nfs/dbraw/zinc/31/53/60/1093315360.db2.gz FMOSYJPVNDZLOG-HXUWFJFHSA-N 0 1 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356.451 4.391 20 5 FIBDMN CCCCc1nc2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2[nH]1 ZINC000060059368 1115581477 /nfs/dbraw/zinc/58/14/77/1115581477.db2.gz QHIUEPRQCQUUHY-UHFFFAOYSA-N 0 1 352.394 4.374 20 5 FIBDMN COc1cc(CN[C@H]2CCc3cc(Cl)ccc32)c([N+](=O)[O-])cc1OC ZINC000598996507 1115777304 /nfs/dbraw/zinc/77/73/04/1115777304.db2.gz VFQILRBNMPUAIH-HNNXBMFYSA-N 0 1 362.813 4.043 20 5 FIBDMN COc1ccc([C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000599073790 1115787676 /nfs/dbraw/zinc/78/76/76/1115787676.db2.gz RNQZUFSWVIJGEO-ORAYPTAESA-N 0 1 356.422 4.340 20 5 FIBDMN O=[N+]([O-])c1cccc(CNCc2ccc(CN3CCc4ccccc43)cc2)c1 ZINC000603633432 1115801272 /nfs/dbraw/zinc/80/12/72/1115801272.db2.gz HATRRYRQNDSWEI-UHFFFAOYSA-N 0 1 373.456 4.447 20 5 FIBDMN COc1ccc(CSc2nc(C=Cc3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000603724246 1115809137 /nfs/dbraw/zinc/80/91/37/1115809137.db2.gz MBDZLLIQCLSDHD-NTMALXAHSA-N 0 1 368.418 4.184 20 5 FIBDMN Cc1ccc(C[C@H]2CCC[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)cc1 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O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001168437556 1118446466 /nfs/dbraw/zinc/44/64/66/1118446466.db2.gz LHJYLJSSVGRTEL-CQSZACIVSA-N 0 1 373.384 4.412 20 5 FIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001168437556 1118446469 /nfs/dbraw/zinc/44/64/69/1118446469.db2.gz LHJYLJSSVGRTEL-CQSZACIVSA-N 0 1 373.384 4.412 20 5 FIBDMN CCc1ccc([C@H](NCCCc2ccccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541565905 1118557217 /nfs/dbraw/zinc/55/72/17/1118557217.db2.gz JKJRCQVAWDXLHS-OAQYLSRUSA-N 0 1 365.433 4.457 20 5 FIBDMN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000541626458 1118586870 /nfs/dbraw/zinc/58/68/70/1118586870.db2.gz YWFLUAGDWLRPNI-MFKMUULPSA-N 0 1 367.858 4.378 20 5 FIBDMN COc1ccc(OCCN2C[C@@H](C)C[C@@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000464727287 1118674286 /nfs/dbraw/zinc/67/42/86/1118674286.db2.gz VFZXZPRKYLSQRZ-KBXCAEBGSA-N 0 1 374.412 4.204 20 5 FIBDMN CC[C@]1(C)CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000464774833 1118690159 /nfs/dbraw/zinc/69/01/59/1118690159.db2.gz KQSWCOUGWGYULD-QGZVFWFLSA-N 0 1 358.385 4.217 20 5 FIBDMN CC(C)Oc1ccccc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464780892 1118692044 /nfs/dbraw/zinc/69/20/44/1118692044.db2.gz YATDKCFEURNFOI-UHFFFAOYSA-N 0 1 370.449 4.425 20 5 FIBDMN COc1cc(CN[C@H](c2ccc(F)cc2F)C(C)C)ccc1[N+](=O)[O-] ZINC000492781081 1119186909 /nfs/dbraw/zinc/18/69/09/1119186909.db2.gz AGINLVDITUBAQI-SFHVURJKSA-N 0 1 350.365 4.369 20 5 FIBDMN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2c(c1)COC2 ZINC000494465100 1119869703 /nfs/dbraw/zinc/86/97/03/1119869703.db2.gz MMNUORPZEUZKCW-NSHDSACASA-N 0 1 366.339 4.495 20 5 FIBDMN COc1ccc([C@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494515393 1119884433 /nfs/dbraw/zinc/88/44/33/1119884433.db2.gz QAZXRZKAVLLGPX-NSHDSACASA-N 0 1 354.328 4.473 20 5 FIBDMN CC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)s1 ZINC000542558037 1120831271 /nfs/dbraw/zinc/83/12/71/1120831271.db2.gz XTYQNEVNLKDHBC-LBPRGKRZSA-N 0 1 367.858 4.298 20 5 FIBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cncc(Br)c1 ZINC000193506684 1120935707 /nfs/dbraw/zinc/93/57/07/1120935707.db2.gz VORIAUXEZIABIC-UHFFFAOYSA-N 0 1 364.243 4.163 20 5 FIBDMN Cc1cc(NC2CCN(Cc3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-] ZINC000301432594 1121154691 /nfs/dbraw/zinc/15/46/91/1121154691.db2.gz PQCMMPPSAJBEAC-UHFFFAOYSA-N 0 1 360.845 4.028 20 5 FIBDMN CC(=O)c1ccc(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301430587 1121154752 /nfs/dbraw/zinc/15/47/52/1121154752.db2.gz QIBGGKIAOYWZQY-HNAYVOBHSA-N 0 1 373.478 4.354 20 5 FIBDMN COc1cccc(CN(Cc2ccc([N+](=O)[O-])cc2C)C[C@H]2CCCO2)c1 ZINC000542702432 1122301419 /nfs/dbraw/zinc/30/14/19/1122301419.db2.gz WLROQECPARYDJY-OAQYLSRUSA-N 0 1 370.449 4.093 20 5 FIBDMN O=[N+]([O-])c1c(F)cccc1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000919962142 1123287019 /nfs/dbraw/zinc/28/70/19/1123287019.db2.gz KHXBVTKZSYXJBO-UHFFFAOYSA-N 0 1 363.820 4.464 20 5 FIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc(C)cc([N+](=O)[O-])c3)[nH]c2c1 ZINC000195372013 1123475006 /nfs/dbraw/zinc/47/50/06/1123475006.db2.gz JZBPZNBBCVCGJW-SFHVURJKSA-N 0 1 364.405 4.065 20 5 FIBDMN CSc1ccc(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000064374976 1123721210 /nfs/dbraw/zinc/72/12/10/1123721210.db2.gz XOAJMCFIOIHDJX-UHFFFAOYSA-N 0 1 372.855 4.079 20 5 FIBDMN O=[N+]([O-])c1ccc(NCc2nc3ccc(Cl)cc3[nH]2)c2ccncc21 ZINC000609496637 1123727559 /nfs/dbraw/zinc/72/75/59/1123727559.db2.gz MGGWCMJIABQBLI-UHFFFAOYSA-N 0 1 353.769 4.285 20 5 FIBDMN COc1ccccc1C[C@@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705247 1123803608 /nfs/dbraw/zinc/80/36/08/1123803608.db2.gz LUDDTWXPIVNZIM-KRWDZBQOSA-N 0 1 360.841 4.464 20 5 FIBDMN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000610001989 1123913229 /nfs/dbraw/zinc/91/32/29/1123913229.db2.gz ROEIIVKIJFVSAX-JKSUJKDBSA-N 0 1 368.433 4.148 20 5 FIBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542946063 1124946078 /nfs/dbraw/zinc/94/60/78/1124946078.db2.gz CPFASZZGWBOFRK-STQMWFEESA-N 0 1 368.359 4.208 20 5 FIBDMN Cc1c(CN[C@H](CC(=O)OC(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000181838727 1125153743 /nfs/dbraw/zinc/15/37/43/1125153743.db2.gz FOJMLHHJUQQOBQ-GOSISDBHSA-N 0 1 356.422 4.076 20 5 FIBDMN NC(=O)c1ccc(CN[C@H](CC2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181940125 1125188370 /nfs/dbraw/zinc/18/83/70/1125188370.db2.gz KMXGRMYZPYISNR-LJQANCHMSA-N 0 1 367.449 4.105 20 5 FIBDMN CCSc1ccc([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182126546 1125257607 /nfs/dbraw/zinc/25/76/07/1125257607.db2.gz FBKBZTZWYLIXTK-CQSZACIVSA-N 0 1 373.478 4.020 20 5 FIBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000481426823 567924616 /nfs/dbraw/zinc/92/46/16/567924616.db2.gz OIGNLSUBJMVNDS-DIFFPNOSSA-N 0 1 352.793 4.253 20 5 FIBDMN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000481643232 568080400 /nfs/dbraw/zinc/08/04/00/568080400.db2.gz VBOKZXCFZXXNQL-MRXNPFEDSA-N 0 1 370.796 4.006 20 5 FIBDMN Cc1c(CSc2nc(C=Cc3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000603724663 568142673 /nfs/dbraw/zinc/14/26/73/568142673.db2.gz PLWLZXPQWXUIIK-KHPPLWFESA-N 0 1 352.419 4.484 20 5 FIBDMN CCO[C@H]1C[C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(CC)CC ZINC000482148510 568285515 /nfs/dbraw/zinc/28/55/15/568285515.db2.gz SMTWLIXOANTDEH-ROUUACIJSA-N 0 1 373.453 4.323 20 5 FIBDMN Cc1c([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cnn1-c1ccc(F)cc1 ZINC000182998581 1125713119 /nfs/dbraw/zinc/71/31/19/1125713119.db2.gz MTPXUBFDRJNHOG-AWEZNQCLSA-N 0 1 368.412 4.387 20 5 FIBDMN COc1ccc([C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599019491 1081078187 /nfs/dbraw/zinc/07/81/87/1081078187.db2.gz DYCLKWJTHRFECT-FQEVSTJZSA-N 0 1 355.438 4.363 20 5 FIBDMN C[C@@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000610341776 1081496839 /nfs/dbraw/zinc/49/68/39/1081496839.db2.gz XTZCUZKMTIXLKS-CXAGYDPISA-N 0 1 373.840 4.094 20 5 FIBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000580218668 1081758101 /nfs/dbraw/zinc/75/81/01/1081758101.db2.gz RXLBBFQEKFGWTA-HXUWFJFHSA-N 0 1 352.365 4.319 20 5 FIBDMN Cc1ccc(CN[C@H](CC(=O)OC(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000579529073 1081832386 /nfs/dbraw/zinc/83/23/86/1081832386.db2.gz QSOGXHKMPLGBLB-GOSISDBHSA-N 0 1 356.422 4.076 20 5 FIBDMN Cc1c([C@@H](C)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000156716492 1082241018 /nfs/dbraw/zinc/24/10/18/1082241018.db2.gz TWEHYHWBPHUPOC-JKSUJKDBSA-N 0 1 367.449 4.442 20 5 FIBDMN O=C(Nc1ccccc1CCC(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477370349 1082824420 /nfs/dbraw/zinc/82/44/20/1082824420.db2.gz BOWORYYQQPDSAQ-UHFFFAOYSA-N 0 1 354.284 4.048 20 5 FIBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC001266851480 1082986248 /nfs/dbraw/zinc/98/62/48/1082986248.db2.gz KQXXLNYCWFTNGJ-UHFFFAOYSA-N 0 1 360.320 4.278 20 5 FIBDMN CC(C)(NCc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000175985478 1083035425 /nfs/dbraw/zinc/03/54/25/1083035425.db2.gz QBBNWWFCXHHWEN-UHFFFAOYSA-N 0 1 355.257 4.444 20 5 FIBDMN O=[N+]([O-])c1ccccc1C[C@@H](NCc1c(F)cc(F)c(F)c1F)C1CC1 ZINC000430740407 1083143159 /nfs/dbraw/zinc/14/31/59/1083143159.db2.gz BPXBGQWCDWIGRH-OAHLLOKOSA-N 0 1 368.330 4.262 20 5 FIBDMN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581561 1083207305 /nfs/dbraw/zinc/20/73/05/1083207305.db2.gz SRXLOHBYTYSRCO-SFHVURJKSA-N 0 1 367.405 4.254 20 5 FIBDMN CC1(c2ccccc2)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000510812215 1083324348 /nfs/dbraw/zinc/32/43/48/1083324348.db2.gz FJSXBPCPTAVJQA-UHFFFAOYSA-N 0 1 351.406 4.290 20 5 FIBDMN CCc1ccc([C@H](NCCCOC(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000510935887 1083510206 /nfs/dbraw/zinc/51/02/06/1083510206.db2.gz USNPUJFQGIDGEU-MRXNPFEDSA-N 0 1 354.353 4.059 20 5 FIBDMN CCc1ccc([C@@H](NCCc2nc(C)cs2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612407798 1083775942 /nfs/dbraw/zinc/77/59/42/1083775942.db2.gz MPUQRTLYJMFWMJ-IBGZPJMESA-N 0 1 371.462 4.437 20 5 FIBDMN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000065208679 1083892557 /nfs/dbraw/zinc/89/25/57/1083892557.db2.gz VTANZIOJIBISMS-KRWDZBQOSA-N 0 1 369.446 4.420 20 5 FIBDMN CC[C@H](NCc1ccc(C)cc1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000167646555 1083935210 /nfs/dbraw/zinc/93/52/10/1083935210.db2.gz PVKPNBFOJKCZJG-IBGZPJMESA-N 0 1 358.438 4.169 20 5 FIBDMN CN(C)[C@@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000179980835 1083948311 /nfs/dbraw/zinc/94/83/11/1083948311.db2.gz WRUKZWVKSMEMMY-FPOVZHCZSA-N 0 1 365.433 4.170 20 5 FIBDMN CN(C)[C@@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000179980864 1083948432 /nfs/dbraw/zinc/94/84/32/1083948432.db2.gz WRUKZWVKSMEMMY-PZJWPPBQSA-N 0 1 365.433 4.170 20 5 FIBDMN CCOc1ccc([C@H](C)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1[N+](=O)[O-] ZINC000277209536 1084017979 /nfs/dbraw/zinc/01/79/79/1084017979.db2.gz KFABKNATVYOBRF-RWMBFGLXSA-N 0 1 361.446 4.037 20 5 FIBDMN CC(C)[N@@H+](Cc1cn(C)nc1-c1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000538265238 1084046015 /nfs/dbraw/zinc/04/60/15/1084046015.db2.gz HTOKPBQDXKTKOQ-UHFFFAOYSA-N 0 1 370.478 4.467 20 5 FIBDMN COc1cc(CN[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000119606807 1084206084 /nfs/dbraw/zinc/20/60/84/1084206084.db2.gz XIKPMHLKOAHEAV-NSHDSACASA-N 0 1 352.337 4.056 20 5 FIBDMN CCOc1ccc([C@@H](C)N[C@H]2CCc3cc(F)c(OC)cc32)cc1[N+](=O)[O-] ZINC000511019374 1084214347 /nfs/dbraw/zinc/21/43/47/1084214347.db2.gz VOWVWLSOFLBARZ-PXAZEXFGSA-N 0 1 374.412 4.479 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000539085495 1084313292 /nfs/dbraw/zinc/31/32/92/1084313292.db2.gz XCAVNFYXBJHBQX-UGSOOPFHSA-N 0 1 373.840 4.013 20 5 FIBDMN CC(C)c1ccc([C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000119752725 1084540969 /nfs/dbraw/zinc/54/09/69/1084540969.db2.gz SWSCXFRIYXPCPM-HXUWFJFHSA-N 0 1 369.465 4.304 20 5 FIBDMN Cc1c(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)cccc1[N+](=O)[O-] ZINC000072012556 1084546189 /nfs/dbraw/zinc/54/61/89/1084546189.db2.gz VOGWOPPFRQVCAK-UHFFFAOYSA-N 0 1 365.393 4.064 20 5 FIBDMN C[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173270436 1084609764 /nfs/dbraw/zinc/60/97/64/1084609764.db2.gz LDAGKURJUGOKAT-CHWSQXEVSA-N 0 1 353.378 4.019 20 5 FIBDMN CC[C@](C)(NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nccs1 ZINC000173510837 1084634499 /nfs/dbraw/zinc/63/44/99/1084634499.db2.gz YUIGVSIQDQJZGZ-SFHVURJKSA-N 0 1 372.450 4.164 20 5 FIBDMN Cn1ccnc1[C@H](N[C@H]1CCC[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000414298571 1084994283 /nfs/dbraw/zinc/99/42/83/1084994283.db2.gz JCFRTUCBDHHQRS-FGTMMUONSA-N 0 1 356.470 4.222 20 5 FIBDMN CCC(=O)c1ccc(NC[C@H](c2cccc(F)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000479848989 1085318508 /nfs/dbraw/zinc/31/85/08/1085318508.db2.gz CSEPNZAULISJKY-GOSISDBHSA-N 0 1 359.401 4.041 20 5 FIBDMN O=[N+]([O-])c1ccc2ncnc(Sc3nc4ccc(Cl)cc4[nH]3)c2c1 ZINC000611700275 1085378735 /nfs/dbraw/zinc/37/87/35/1085378735.db2.gz NJTDIZXVASSJFV-UHFFFAOYSA-N 0 1 357.782 4.219 20 5 FIBDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000541626907 1085788384 /nfs/dbraw/zinc/78/83/84/1085788384.db2.gz ISNKUJLEEOKQQO-GHMZBOCLSA-N 0 1 367.858 4.378 20 5 FIBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000178684993 1085809410 /nfs/dbraw/zinc/80/94/10/1085809410.db2.gz UAIMFBLNVHOTFZ-STQMWFEESA-N 0 1 361.829 4.234 20 5 FIBDMN CSc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178690777 1085816834 /nfs/dbraw/zinc/81/68/34/1085816834.db2.gz VSTHKSDXYHXQPH-ZIAGYGMSSA-N 0 1 373.478 4.303 20 5 FIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000112533297 1085938751 /nfs/dbraw/zinc/93/87/51/1085938751.db2.gz FHFHPUBBQXNSBT-NSHDSACASA-N 0 1 354.328 4.473 20 5 FIBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000436476253 1086223958 /nfs/dbraw/zinc/22/39/58/1086223958.db2.gz SHTLTABXWJQBER-UHFFFAOYSA-N 0 1 368.418 4.051 20 5 FIBDMN COc1ccc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000106466341 1086647933 /nfs/dbraw/zinc/64/79/33/1086647933.db2.gz BBJLTWTXHKALFN-NSHDSACASA-N 0 1 354.328 4.473 20 5 FIBDMN C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000583591223 1086832815 /nfs/dbraw/zinc/83/28/15/1086832815.db2.gz GEYKZVGEYWDPAW-OAHLLOKOSA-N 0 1 367.449 4.200 20 5 FIBDMN CN(c1ccccc1)c1ccc(CN2CCC3(CCO3)CC2)cc1[N+](=O)[O-] ZINC000548806780 1086932538 /nfs/dbraw/zinc/93/25/38/1086932538.db2.gz HRKUEBLPEQFOJL-UHFFFAOYSA-N 0 1 367.449 4.118 20 5 FIBDMN CC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC000024253024 1087625692 /nfs/dbraw/zinc/62/56/92/1087625692.db2.gz BVLRABLXKDMICL-INIZCTEOSA-N 0 1 361.829 4.236 20 5 FIBDMN C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1C(=O)[O-] ZINC000424420067 1087973150 /nfs/dbraw/zinc/97/31/50/1087973150.db2.gz QAMRJCIEVDODST-SJCJKPOMSA-N 0 1 360.435 4.008 20 5 FIBDMN COC(=O)CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000180667769 1088009988 /nfs/dbraw/zinc/00/99/88/1088009988.db2.gz YWXDTONZXYHJNL-YJBOKZPZSA-N 0 1 356.422 4.248 20 5 FIBDMN CC[C@@H](N[C@@H](CCC(=O)OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180674978 1088016767 /nfs/dbraw/zinc/01/67/67/1088016767.db2.gz CJOJQZAHROEAEF-MOPGFXCFSA-N 0 1 356.422 4.330 20 5 FIBDMN CC(C)C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000180760323 1088059914 /nfs/dbraw/zinc/05/99/14/1088059914.db2.gz JTRCFGQLGMXDFE-IBGZPJMESA-N 0 1 356.422 4.338 20 5 FIBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000181308657 1088300941 /nfs/dbraw/zinc/30/09/41/1088300941.db2.gz BNOYTCKJXHAEFF-WDEREUQCSA-N 0 1 370.375 4.382 20 5 FIBDMN C[C@H](NCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178645155 1088656086 /nfs/dbraw/zinc/65/60/86/1088656086.db2.gz MQCADVYVWBYGLV-LBPRGKRZSA-N 0 1 354.328 4.387 20 5 FIBDMN Cn1ccnc1[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000514092673 1088739863 /nfs/dbraw/zinc/73/98/63/1088739863.db2.gz GCSNKFHXDCFUCH-JSFADZTLSA-N 0 1 368.481 4.366 20 5 FIBDMN Cn1ccnc1[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000514094186 1088742633 /nfs/dbraw/zinc/74/26/33/1088742633.db2.gz MFLVQYAZVVVZKJ-DLVXIWMQSA-N 0 1 368.481 4.366 20 5 FIBDMN CC(C)[C@H](c1ccc(F)cc1)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000434616225 1088864821 /nfs/dbraw/zinc/86/48/21/1088864821.db2.gz PGCUQLFOHVTZMA-LJQANCHMSA-N 0 1 359.401 4.002 20 5 FIBDMN Cc1ccc(Sc2ccc(C[N@@H+](C)CCCC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000414640452 1088918318 /nfs/dbraw/zinc/91/83/18/1088918318.db2.gz RTDJIXSTFKQILE-UHFFFAOYSA-N 0 1 374.462 4.351 20 5 FIBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)c2C)o1 ZINC001625889087 1089275941 /nfs/dbraw/zinc/27/59/41/1089275941.db2.gz NKJGAEIGVPRFFJ-UHFFFAOYSA-N 0 1 354.366 4.064 20 5 FIBDMN CCCCO[C@@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC001167958327 1089401331 /nfs/dbraw/zinc/40/13/31/1089401331.db2.gz HCOOGEMNSXWMDO-ZWKOTPCHSA-N 0 1 350.459 4.019 20 5 FIBDMN COc1cc([C@H](C)NCc2ccccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000101595381 1089806798 /nfs/dbraw/zinc/80/67/98/1089806798.db2.gz XCEFISFKQMACCK-HNNXBMFYSA-N 0 1 358.438 4.489 20 5 FIBDMN CC(C)(C)[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1 ZINC000053644318 1091282110 /nfs/dbraw/zinc/28/21/10/1091282110.db2.gz HKOCSBYHXSWQPI-LJQANCHMSA-N 0 1 374.412 4.477 20 5 FIBDMN CCC1(CC)[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1OC ZINC001167766311 1091600185 /nfs/dbraw/zinc/60/01/85/1091600185.db2.gz KHLSKZFDWZAHKU-MOPGFXCFSA-N 0 1 364.486 4.408 20 5 FIBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000511806544 1091720173 /nfs/dbraw/zinc/72/01/73/1091720173.db2.gz JWUURKUPDCYTRV-UHFFFAOYSA-N 0 1 362.345 4.292 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC4(CCC4)[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000572807657 1092907300 /nfs/dbraw/zinc/90/73/00/1092907300.db2.gz CIOACHDBUFQVCA-VQTJNVASSA-N 0 1 368.433 4.388 20 5 FIBDMN 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4.174 20 5 FIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CCc1ccccc1)c1ccccc1 ZINC000475719225 1101487423 /nfs/dbraw/zinc/48/74/23/1101487423.db2.gz SUELDBVLUZCUKE-UHFFFAOYSA-N 0 1 362.385 4.190 20 5 FIBDMN FC1(F)CNC[C@H]1Cc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001211910493 1101648177 /nfs/dbraw/zinc/64/81/77/1101648177.db2.gz DYRSPWCJWWYMNI-CQSZACIVSA-N 0 1 365.383 4.440 20 5 FIBDMN COc1ccc([N+](=O)[O-])cc1CNCc1ccc(C(F)(F)F)cc1C ZINC000190946395 1101720932 /nfs/dbraw/zinc/72/09/32/1101720932.db2.gz FYZKGCMGECFBIU-UHFFFAOYSA-N 0 1 354.328 4.220 20 5 FIBDMN Cc1ccc(C)c([C@H]2CCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000532398751 1101950004 /nfs/dbraw/zinc/95/00/04/1101950004.db2.gz UWCJAMALHOJMBG-HXUWFJFHSA-N 0 1 368.433 4.415 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(OC(F)F)c(F)c1 ZINC000550894086 1102669318 /nfs/dbraw/zinc/66/93/18/1102669318.db2.gz BAZUXZXIRFMUBD-LLVKDONJSA-N 0 1 354.328 4.495 20 5 FIBDMN CCOCc1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1OC ZINC000507153693 1103171103 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373.478 4.385 20 5 FIBDMN Cc1[nH]nc2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 ZINC000537706257 1103729314 /nfs/dbraw/zinc/72/93/14/1103729314.db2.gz SKGXVWSLFQGFKR-UHFFFAOYSA-N 0 1 364.283 4.051 20 5 FIBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248408606 1104878999 /nfs/dbraw/zinc/87/89/99/1104878999.db2.gz CEPJUHIPPGBYCA-IUODEOHRSA-N 0 1 368.359 4.208 20 5 FIBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248408606 1104879008 /nfs/dbraw/zinc/87/90/08/1104879008.db2.gz CEPJUHIPPGBYCA-IUODEOHRSA-N 0 1 368.359 4.208 20 5 FIBDMN CC(C)CN(Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507767142 1104936695 /nfs/dbraw/zinc/93/66/95/1104936695.db2.gz AXOJCAUFNZVHRA-UHFFFAOYSA-N 0 1 356.422 4.120 20 5 FIBDMN C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000520747959 1105193047 /nfs/dbraw/zinc/19/30/47/1105193047.db2.gz QWQMPFCUXFNOEI-ZDUSSCGKSA-N 0 1 368.462 4.063 20 5 FIBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H](c3ccncc3)C2)c1 ZINC000451006957 1106886496 /nfs/dbraw/zinc/88/64/96/1106886496.db2.gz WSRFJBGEPOJLQR-AWEZNQCLSA-N 0 1 365.355 4.388 20 5 FIBDMN Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000451107198 1106925638 /nfs/dbraw/zinc/92/56/38/1106925638.db2.gz YQNQVYFSUQZXLQ-STQMWFEESA-N 0 1 361.829 4.234 20 5 FIBDMN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107183 1106925749 /nfs/dbraw/zinc/92/57/49/1106925749.db2.gz YNEAYCQESTTXSV-QWHCGFSZSA-N 0 1 361.829 4.234 20 5 FIBDMN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451109022 1106927233 /nfs/dbraw/zinc/92/72/33/1106927233.db2.gz XLMMQUFGIYSNBQ-DLBZAZTESA-N 0 1 369.465 4.071 20 5 FIBDMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102847 1106933196 /nfs/dbraw/zinc/93/31/96/1106933196.db2.gz FGXXGKDOBRUDPY-STQMWFEESA-N 0 1 361.829 4.234 20 5 FIBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)c1[N+](=O)[O-] ZINC000444363605 1106962011 /nfs/dbraw/zinc/96/20/11/1106962011.db2.gz JLSSVPSCDHWTSH-LXKVQUBZSA-N 0 1 374.466 4.040 20 5 FIBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451358071 1107051101 /nfs/dbraw/zinc/05/11/01/1107051101.db2.gz ZQLCWKXOLAVBEB-UAGQMJEPSA-N 0 1 372.387 4.129 20 5 FIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451856729 1107345478 /nfs/dbraw/zinc/34/54/78/1107345478.db2.gz PVRAGHJMBZJKIY-LJQANCHMSA-N 0 1 369.421 4.052 20 5 FIBDMN Cc1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000530965261 1107427778 /nfs/dbraw/zinc/42/77/78/1107427778.db2.gz KMAPEOGGHPZZEO-XJKSGUPXSA-N 0 1 373.840 4.013 20 5 FIBDMN O=[N+]([O-])c1ccc(OCCSc2nc(C=Cc3ccccc3)n[nH]2)cc1 ZINC000520014326 1107566650 /nfs/dbraw/zinc/56/66/50/1107566650.db2.gz HJHOGHKDIOBPIN-WDZFZDKYSA-N 0 1 368.418 4.054 20 5 FIBDMN CN(C)c1ccccc1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000531349893 1107792178 /nfs/dbraw/zinc/79/21/78/1107792178.db2.gz CBXRUDXEJCTESY-UHFFFAOYSA-N 0 1 351.406 4.211 20 5 FIBDMN CCc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000531443419 1107903416 /nfs/dbraw/zinc/90/34/16/1107903416.db2.gz XEIQSTGMJXUURD-HUUCEWRRSA-N 0 1 355.438 4.143 20 5 FIBDMN CC[C@@H](c1ccccc1)N(CC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000520152418 1107912196 /nfs/dbraw/zinc/91/21/96/1107912196.db2.gz BSMCSVVZLVYIBQ-KRWDZBQOSA-N 0 1 352.394 4.085 20 5 FIBDMN CCCCCn1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(C)n1 ZINC000447589122 1109588510 /nfs/dbraw/zinc/58/85/10/1109588510.db2.gz WOPXHCHXQOUEGG-HXUWFJFHSA-N 0 1 356.470 4.457 20 5 FIBDMN CC(C)(C)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000152300176 1109609636 /nfs/dbraw/zinc/60/96/36/1109609636.db2.gz MHHYHCUBXJOWCJ-UHFFFAOYSA-N 0 1 366.421 4.446 20 5 FIBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000526061808 1109613593 /nfs/dbraw/zinc/61/35/93/1109613593.db2.gz VAHHCICZIBFZMZ-RTGRKSDTSA-N 0 1 372.387 4.023 20 5 FIBDMN CC(C)(C)c1ccc(-c2nc(-c3ccn4cncc4c3)no2)cc1[N+](=O)[O-] ZINC000447961421 1109688591 /nfs/dbraw/zinc/68/85/91/1109688591.db2.gz BTVFJQUVWHWUGH-UHFFFAOYSA-N 0 1 363.377 4.257 20 5 FIBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000449454493 1110075827 /nfs/dbraw/zinc/07/58/27/1110075827.db2.gz ZKHJOIQRTIHEIL-QGZVFWFLSA-N 0 1 350.777 4.334 20 5 FIBDMN Cc1ccc(CN[C@H](CCO)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000449435984 1110078904 /nfs/dbraw/zinc/07/89/04/1110078904.db2.gz GNIUMQLJYQKMDA-MRXNPFEDSA-N 0 1 368.355 4.135 20 5 FIBDMN O=[N+]([O-])c1cccc(-c2nc(CN3C[C@H](C4CC4)[C@@H]3C3CC3)cs2)c1 ZINC000449536454 1110103472 /nfs/dbraw/zinc/10/34/72/1110103472.db2.gz IOFDSMRBSCGGIP-MSOLQXFVSA-N 0 1 355.463 4.339 20 5 FIBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000538572308 1111199681 /nfs/dbraw/zinc/19/96/81/1111199681.db2.gz NXBQIXUMZQEWQN-UHFFFAOYSA-N 0 1 371.422 4.011 20 5 FIBDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000538727235 1111264665 /nfs/dbraw/zinc/26/46/65/1111264665.db2.gz BOIOMEAJFAEFDL-PBHICJAKSA-N 0 1 374.412 4.262 20 5 FIBDMN COc1ccc(CN[C@@H]2C[C@H](C)Sc3sccc32)cc1[N+](=O)[O-] ZINC000539074129 1111420774 /nfs/dbraw/zinc/42/07/74/1111420774.db2.gz IFFYJZDDUSACDB-GXFFZTMASA-N 0 1 350.465 4.380 20 5 FIBDMN CC[C@@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000539079522 1111423448 /nfs/dbraw/zinc/42/34/48/1111423448.db2.gz HXJNNBIKUGMHSZ-IAGOWNOFSA-N 0 1 373.840 4.094 20 5 FIBDMN Cc1c(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)cccc1[N+](=O)[O-] ZINC000478496788 1111794505 /nfs/dbraw/zinc/79/45/05/1111794505.db2.gz YHZMEFIXWPYMRF-LJQANCHMSA-N 0 1 352.434 4.395 20 5 FIBDMN Cc1nc(C(C)C)ccc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000555376861 1112803272 /nfs/dbraw/zinc/80/32/72/1112803272.db2.gz CESFVIJUDVAHRV-UHFFFAOYSA-N 0 1 369.465 4.465 20 5 FIBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000481319797 1112891959 /nfs/dbraw/zinc/89/19/59/1112891959.db2.gz GYCHMNJUKYUQAV-UHFFFAOYSA-N 0 1 352.394 4.329 20 5 FIBDMN C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000555527813 1112913977 /nfs/dbraw/zinc/91/39/77/1112913977.db2.gz RKLCMGJGIMIZJG-CQSZACIVSA-N 0 1 365.389 4.339 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000482420491 1113246886 /nfs/dbraw/zinc/24/68/86/1113246886.db2.gz AICVZRKWCBIGLV-CTTRRDQISA-N 0 1 350.418 4.130 20 5 FIBDMN CCOc1ccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000179408714 1113410298 /nfs/dbraw/zinc/41/02/98/1113410298.db2.gz YAJHDFDLWWYHBA-OLZOCXBDSA-N 0 1 359.382 4.314 20 5 FIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488893448 1114012299 /nfs/dbraw/zinc/01/22/99/1114012299.db2.gz RWWDOHQVLGXZNQ-UHFFFAOYSA-N 0 1 374.397 4.363 20 5 FIBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000490277305 1114253892 /nfs/dbraw/zinc/25/38/92/1114253892.db2.gz VWLLPEPKYDIFKF-VXGBXAGGSA-N 0 1 373.457 4.015 20 5 FIBDMN COc1cc(CN2CCC3(CCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000586783237 1114392490 /nfs/dbraw/zinc/39/24/90/1114392490.db2.gz LWBQFXIEEZHWRI-UHFFFAOYSA-N 0 1 370.396 4.013 20 5 FIBDMN Cc1ccc(-c2nnc([C@H](C)N(C)CCc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000571703738 1114493094 /nfs/dbraw/zinc/49/30/94/1114493094.db2.gz CUSMFRVNNYOOQJ-HNNXBMFYSA-N 0 1 366.421 4.189 20 5 FIBDMN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000056157008 1114615915 /nfs/dbraw/zinc/61/59/15/1114615915.db2.gz JRTPZOHSEQFRHH-CABCVRRESA-N 0 1 371.437 4.060 20 5 FIBDMN CCc1ccc2c(CN[C@H](C)c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000056197175 1114659003 /nfs/dbraw/zinc/65/90/03/1114659003.db2.gz NDLIRIRQFYZQLQ-CYBMUJFWSA-N 0 1 352.390 4.114 20 5 FIBDMN O=[N+]([O-])c1cc(C(F)F)ccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000589103427 1114696816 /nfs/dbraw/zinc/69/68/16/1114696816.db2.gz KJTFQXWDBPSDCK-HNNXBMFYSA-N 0 1 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Cc1cc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000179372314 1083393980 /nfs/dbraw/zinc/39/39/80/1083393980.db2.gz OIZNCHTWTHESQN-CHWSQXEVSA-N 0 1 361.467 4.259 20 5 FIBDMN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(Cl)c1O ZINC000179726444 1083612580 /nfs/dbraw/zinc/61/25/80/1083612580.db2.gz DACUUBYSPHELQX-UHFFFAOYSA-N 0 1 371.176 4.015 20 5 FIBDMN COCCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167236966 1083683734 /nfs/dbraw/zinc/68/37/34/1083683734.db2.gz JBNMROIMURXAQR-KRWDZBQOSA-N 0 1 372.465 4.478 20 5 FIBDMN CC(C)(C)c1nn(-c2ccccc2)cc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000236654806 1083889134 /nfs/dbraw/zinc/88/91/34/1083889134.db2.gz MJNKGNSWYNYVQB-UHFFFAOYSA-N 0 1 364.449 4.368 20 5 FIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091834121 1084138495 /nfs/dbraw/zinc/13/84/95/1084138495.db2.gz FPVFZPRENQLJFK-UHFFFAOYSA-N 0 1 356.407 4.144 20 5 FIBDMN CCOc1ccc([C@H](C)N[C@H]2CCc3cc(F)c(OC)cc32)cc1[N+](=O)[O-] ZINC000511019375 1084213824 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4.154 20 5 FIBDMN Cn1cc([C@@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C(C)(C)C)cn1 ZINC000549535608 1085460610 /nfs/dbraw/zinc/46/06/10/1085460610.db2.gz HBICLJYVZBKAAI-OAHLLOKOSA-N 0 1 370.375 4.224 20 5 FIBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000549544304 1085518949 /nfs/dbraw/zinc/51/89/49/1085518949.db2.gz KRHKJTPANRAALF-MRXNPFEDSA-N 0 1 351.328 4.250 20 5 FIBDMN Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000178679994 1085778432 /nfs/dbraw/zinc/77/84/32/1085778432.db2.gz FWNQNISSTICIRL-HOTGVXAUSA-N 0 1 355.438 4.198 20 5 FIBDMN CC(C)c1ccc(C(=O)N2CCN(C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC001126142828 1085812009 /nfs/dbraw/zinc/81/20/09/1085812009.db2.gz KITHMIGTAZHPOM-UHFFFAOYSA-N 0 1 373.497 4.055 20 5 FIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(c2ccc(Cl)cc2)CCC1 ZINC000104707826 1085813566 /nfs/dbraw/zinc/81/35/66/1085813566.db2.gz SBMKFWSIDXTILY-UHFFFAOYSA-N 0 1 373.840 4.164 20 5 FIBDMN Cc1cc2oc(=O)cc(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2cc1C ZINC000178684802 1085828946 /nfs/dbraw/zinc/82/89/46/1085828946.db2.gz YQJTVUIWVUDFLC-HNNXBMFYSA-N 0 1 366.417 4.477 20 5 FIBDMN Cc1cc(C2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)[nH]n1 ZINC000612450029 1085860978 /nfs/dbraw/zinc/86/09/78/1085860978.db2.gz LHYBJUYFWKDFKS-UHFFFAOYSA-N 0 1 354.332 4.029 20 5 FIBDMN CC[C@@H](NCc1ccc(-n2nc(C)cc2C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000162810656 1086502412 /nfs/dbraw/zinc/50/24/12/1086502412.db2.gz FTGBELWWNSOKFE-LJQANCHMSA-N 0 1 365.437 4.033 20 5 FIBDMN Cc1cc(N2CCCN3c4ccccc4C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000583354176 1086602923 /nfs/dbraw/zinc/60/29/23/1086602923.db2.gz ATVJKBJRWBUQHX-GOSISDBHSA-N 0 1 374.444 4.093 20 5 FIBDMN Cc1c(CNCc2cccc(NC(=O)CC(C)C)c2)cccc1[N+](=O)[O-] ZINC001648930871 1086623215 /nfs/dbraw/zinc/62/32/15/1086623215.db2.gz MTGJKSQFNBGHJI-UHFFFAOYSA-N 0 1 355.438 4.178 20 5 FIBDMN Cc1ccc2nc(CNc3ccc(Br)cc3[N+](=O)[O-])[nH]c2c1 ZINC000467017013 1086661337 /nfs/dbraw/zinc/66/13/37/1086661337.db2.gz NOVSGWSXAXOMJQ-UHFFFAOYSA-N 0 1 361.199 4.154 20 5 FIBDMN C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000512154514 1086847614 /nfs/dbraw/zinc/84/76/14/1086847614.db2.gz YOPSQRSUKHZXML-YWZLYKJASA-N 0 1 368.433 4.435 20 5 FIBDMN C[C@H]1CC[C@@H](c2ccccc2)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000512154514 1086847624 /nfs/dbraw/zinc/84/76/24/1086847624.db2.gz YOPSQRSUKHZXML-YWZLYKJASA-N 0 1 368.433 4.435 20 5 FIBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(Cc2ccccc2)c1 ZINC000090853607 1087415317 /nfs/dbraw/zinc/41/53/17/1087415317.db2.gz XZDPYDKEMFUVOO-JKSUJKDBSA-N 0 1 350.422 4.251 20 5 FIBDMN CN(C)Cc1cnc(/C=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)s1 ZINC000504710851 1087794659 /nfs/dbraw/zinc/79/46/59/1087794659.db2.gz FFZDINPHDGMVTG-WOJGMQOQSA-N 0 1 366.446 4.097 20 5 FIBDMN CCc1nc(CN[C@H](CC)CSc2ccccc2[N+](=O)[O-])cs1 ZINC000504905554 1087975549 /nfs/dbraw/zinc/97/55/49/1087975549.db2.gz KESCIUIMDWKAQG-GFCCVEGCSA-N 0 1 351.497 4.274 20 5 FIBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](COC)c1ccc(C)o1 ZINC000504927556 1087994609 /nfs/dbraw/zinc/99/46/09/1087994609.db2.gz QPPQGQWHIWGJOG-GJZGRUSLSA-N 0 1 364.467 4.344 20 5 FIBDMN COc1cccc(C2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000177030518 1088179351 /nfs/dbraw/zinc/17/93/51/1088179351.db2.gz ZHAIXSRDTKFHBF-UHFFFAOYSA-N 0 1 367.405 4.124 20 5 FIBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000181315403 1088303958 /nfs/dbraw/zinc/30/39/58/1088303958.db2.gz ICYJZUWTSABGFS-WDEREUQCSA-N 0 1 370.375 4.382 20 5 FIBDMN C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCC2=O)cc1 ZINC000181355701 1088344447 /nfs/dbraw/zinc/34/44/47/1088344447.db2.gz NJWCAMOJLNNPEU-CYBMUJFWSA-N 0 1 373.840 4.226 20 5 FIBDMN Cc1cccc2nc(C3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)oc21 ZINC000189798279 1088641451 /nfs/dbraw/zinc/64/14/51/1088641451.db2.gz MASGTTBEPSENFU-UHFFFAOYSA-N 0 1 351.406 4.424 20 5 FIBDMN CC[C@H](NCc1ccc(N2CCCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000480701818 1088701797 /nfs/dbraw/zinc/70/17/97/1088701797.db2.gz VOXDLMFVNMLBFV-IBGZPJMESA-N 0 1 354.454 4.221 20 5 FIBDMN Cc1ccc2c(CN(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc(O)c2n1 ZINC000514076281 1088702869 /nfs/dbraw/zinc/70/28/69/1088702869.db2.gz VWRSSXUTBJWRKV-UHFFFAOYSA-N 0 1 363.417 4.322 20 5 FIBDMN Cc1ccc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414539797 1088817823 /nfs/dbraw/zinc/81/78/23/1088817823.db2.gz BJBCMFZBQLPJGL-HXUWFJFHSA-N 0 1 352.434 4.257 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414566727 1088835492 /nfs/dbraw/zinc/83/54/92/1088835492.db2.gz XHVQIDRUEOOYBR-ISPXXFMDSA-N 0 1 364.445 4.462 20 5 FIBDMN CC(C)[C@H](c1ccc(F)cc1)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000434615076 1088857216 /nfs/dbraw/zinc/85/72/16/1088857216.db2.gz LVEACTDSWBJEJJ-HXUWFJFHSA-N 0 1 373.428 4.026 20 5 FIBDMN CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000055152031 1088888039 /nfs/dbraw/zinc/88/80/39/1088888039.db2.gz KCOYWIPSCGFSDR-GJZGRUSLSA-N 0 1 371.437 4.060 20 5 FIBDMN C[C@@H](c1ccncc1)N1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000425232767 1089105934 /nfs/dbraw/zinc/10/59/34/1089105934.db2.gz FTKUFENWVAURGN-ZDUSSCGKSA-N 0 1 360.845 4.281 20 5 FIBDMN CCCCO[C@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC001167958326 1089402040 /nfs/dbraw/zinc/40/20/40/1089402040.db2.gz HCOOGEMNSXWMDO-ROUUACIJSA-N 0 1 350.459 4.019 20 5 FIBDMN O=[N+]([O-])c1cc(F)c(CSc2nc(C=Cc3ccccc3)n[nH]2)c(F)c1 ZINC000505663319 1089521664 /nfs/dbraw/zinc/52/16/64/1089521664.db2.gz POOCCSRIQUWGRK-VOTSOKGWSA-N 0 1 374.372 4.454 20 5 FIBDMN O=[N+]([O-])c1cc(F)ccc1N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000514898164 1089585606 /nfs/dbraw/zinc/58/56/06/1089585606.db2.gz ZEMMWFAUIYETNX-UHFFFAOYSA-N 0 1 363.820 4.100 20 5 FIBDMN O=[N+]([O-])c1cc(CN[C@@H](c2ccccc2)C2CCC2)c2c(c1)COCO2 ZINC000104701089 1090309927 /nfs/dbraw/zinc/30/99/27/1090309927.db2.gz YCFLMEAYPVGNGW-IBGZPJMESA-N 0 1 354.406 4.092 20 5 FIBDMN O=[N+]([O-])c1cc(CN[C@H](c2ccc(F)cc2)C2CCC2)c2c(c1)COCO2 ZINC000104705902 1090310238 /nfs/dbraw/zinc/31/02/38/1090310238.db2.gz OEJUJVMBPDEIQR-IBGZPJMESA-N 0 1 372.396 4.231 20 5 FIBDMN CC(=O)Nc1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417302803 1090792805 /nfs/dbraw/zinc/79/28/05/1090792805.db2.gz BTXRKZUKBDPOFW-HXUWFJFHSA-N 0 1 353.422 4.111 20 5 FIBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCc3c2cccc3Br)cs1 ZINC000105491814 1091023714 /nfs/dbraw/zinc/02/37/14/1091023714.db2.gz RUOWTGXCSQQYMV-CYBMUJFWSA-N 0 1 353.241 4.196 20 5 FIBDMN CCN(Cc1ccc2ccccc2c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000500093639 1091033621 /nfs/dbraw/zinc/03/36/21/1091033621.db2.gz ABOHRWLHMVUCRS-UHFFFAOYSA-N 0 1 350.374 4.116 20 5 FIBDMN CCc1cc(OC)ccc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000500381056 1091388527 /nfs/dbraw/zinc/38/85/27/1091388527.db2.gz DWLMYZLRGVILEW-UHFFFAOYSA-N 0 1 368.355 4.474 20 5 FIBDMN Cc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCCO2)c1 ZINC000124287227 1091747040 /nfs/dbraw/zinc/74/70/40/1091747040.db2.gz JGSGLOMXPUQTTM-UZLBHIALSA-N 0 1 370.449 4.312 20 5 FIBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000107713263 1091831647 /nfs/dbraw/zinc/83/16/47/1091831647.db2.gz LKJDRXFFSMLDLB-OAHLLOKOSA-N 0 1 374.746 4.090 20 5 FIBDMN CC(C)(C(=O)Nc1cc(F)cc(Cl)c1O)c1ccccc1[N+](=O)[O-] ZINC000500650578 1092321301 /nfs/dbraw/zinc/32/13/01/1092321301.db2.gz LGHWLNLIBVXGSG-UHFFFAOYSA-N 0 1 352.749 4.009 20 5 FIBDMN O=[N+]([O-])c1cccc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)c1 ZINC000520965737 1092390110 /nfs/dbraw/zinc/39/01/10/1092390110.db2.gz XYGJDLZIOMQHAY-UHFFFAOYSA-N 0 1 360.413 4.487 20 5 FIBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000120474231 1093222260 /nfs/dbraw/zinc/22/22/60/1093222260.db2.gz DHXLLCCUJJWFSE-SNVBAGLBSA-N 0 1 368.220 4.191 20 5 FIBDMN Cn1ccnc1[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000512874031 1093494412 /nfs/dbraw/zinc/49/44/12/1093494412.db2.gz JACUBTCXWPFMDH-GOSISDBHSA-N 0 1 368.462 4.298 20 5 FIBDMN Cn1cc(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 ZINC000067223359 1093702951 /nfs/dbraw/zinc/70/29/51/1093702951.db2.gz XVDDRUJENJATCO-UHFFFAOYSA-N 0 1 372.812 4.064 20 5 FIBDMN COc1ccccc1O[C@@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000513367745 1094083508 /nfs/dbraw/zinc/08/35/08/1094083508.db2.gz RLBSUETUUNWFKO-CRAIPNDOSA-N 0 1 356.422 4.208 20 5 FIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000513405968 1094104798 /nfs/dbraw/zinc/10/47/98/1094104798.db2.gz KNKPGXCRDZTIPB-CYBMUJFWSA-N 0 1 354.410 4.109 20 5 FIBDMN COc1cc(CN[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182786929 1094167260 /nfs/dbraw/zinc/16/72/60/1094167260.db2.gz WGIXLUHDQFTEAU-LBPRGKRZSA-N 0 1 366.364 4.098 20 5 FIBDMN CC(C)C1CCC(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000513665026 1094272701 /nfs/dbraw/zinc/27/27/01/1094272701.db2.gz BEUVGXPCLLARNB-KVWWFHCMSA-N 0 1 356.470 4.222 20 5 FIBDMN CC[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513703613 1094393611 /nfs/dbraw/zinc/39/36/11/1094393611.db2.gz XXECUNHXXMRWAV-OXJNMPFZSA-N 0 1 364.449 4.201 20 5 FIBDMN Cn1c2ccccc2nc1C(C)(C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000185635648 1094618635 /nfs/dbraw/zinc/61/86/35/1094618635.db2.gz QVGFBSNWGMJUSF-CSKARUKUSA-N 0 1 350.422 4.020 20 5 FIBDMN CC(C)N(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](C)c1ccsc1 ZINC000421694177 1095834399 /nfs/dbraw/zinc/83/43/99/1095834399.db2.gz ULRWVQCVWUROBN-NSHDSACASA-N 0 1 358.423 4.144 20 5 FIBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCc3ccccc32)CC1 ZINC000503376147 1096377570 /nfs/dbraw/zinc/37/75/70/1096377570.db2.gz NMPCOVVLNRHGNI-INIZCTEOSA-N 0 1 351.450 4.183 20 5 FIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503408847 1096388089 /nfs/dbraw/zinc/38/80/89/1096388089.db2.gz UVWUQNWMMSTZAB-ORAYPTAESA-N 0 1 373.840 4.020 20 5 FIBDMN CC(C)(NCc1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000425429708 1098605997 /nfs/dbraw/zinc/60/59/97/1098605997.db2.gz APMRZBNJZVPTTJ-UHFFFAOYSA-N 0 1 355.257 4.444 20 5 FIBDMN C[C@@H](CN(C)Cc1ccc(Br)cc1[N+](=O)[O-])c1nccs1 ZINC000425453266 1098695286 /nfs/dbraw/zinc/69/52/86/1098695286.db2.gz DXBHIAOUFCNEBJ-JTQLQIEISA-N 0 1 370.272 4.049 20 5 FIBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000517249314 1100225923 /nfs/dbraw/zinc/22/59/23/1100225923.db2.gz XGPVAMUVIDONAV-ZDUSSCGKSA-N 0 1 369.446 4.290 20 5 FIBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3c(Cl)oc4ccccc43)CC2)n1 ZINC000425975214 1100575808 /nfs/dbraw/zinc/57/58/08/1100575808.db2.gz BMZWCHSNGSLQOD-UHFFFAOYSA-N 0 1 360.801 4.028 20 5 FIBDMN O=[N+]([O-])c1ccc(OCCN[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000537074410 1101439200 /nfs/dbraw/zinc/43/92/00/1101439200.db2.gz GLSORCANCHWPCI-INIZCTEOSA-N 0 1 372.318 4.396 20 5 FIBDMN Cc1ccc([C@H](C)NCC(=O)N[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000537175602 1101518635 /nfs/dbraw/zinc/51/86/35/1101518635.db2.gz RLFORZRMVIHHGH-KKSFZXQISA-N 0 1 369.465 4.067 20 5 FIBDMN Cc1ccc([C@@H](C)NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000537175371 1101520463 /nfs/dbraw/zinc/52/04/63/1101520463.db2.gz GWSCSRYFSFHXLJ-DLBZAZTESA-N 0 1 369.465 4.048 20 5 FIBDMN Cc1ccc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000237747001 1102135546 /nfs/dbraw/zinc/13/55/46/1102135546.db2.gz NQMPABFBEZGURA-UHFFFAOYSA-N 0 1 356.422 4.148 20 5 FIBDMN CCCN(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000532513484 1102447960 /nfs/dbraw/zinc/44/79/60/1102447960.db2.gz KNWPOMXPWARCMS-QGZVFWFLSA-N 0 1 361.829 4.270 20 5 FIBDMN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000551063254 1102883250 /nfs/dbraw/zinc/88/32/50/1102883250.db2.gz WJDUTKIXBJQMPZ-JTQLQIEISA-N 0 1 356.300 4.050 20 5 FIBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)n[nH]1 ZINC000486795992 1102928526 /nfs/dbraw/zinc/92/85/26/1102928526.db2.gz INMPCSMNRCXNPK-BDAKNGLRSA-N 0 1 355.345 4.001 20 5 FIBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000507283398 1103276415 /nfs/dbraw/zinc/27/64/15/1103276415.db2.gz YCSAHLQLKWHDKU-CQSZACIVSA-N 0 1 371.412 4.146 20 5 FIBDMN Cc1ccc(C)c([C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)[C@@H](C)CO2)c1 ZINC000441448597 1104740519 /nfs/dbraw/zinc/74/05/19/1104740519.db2.gz LEQZFFCOXSUFMX-LAUBAEHRSA-N 0 1 354.450 4.216 20 5 FIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1cccs1)Cc1cccs1 ZINC000427911731 1105316684 /nfs/dbraw/zinc/31/66/84/1105316684.db2.gz JWVLQYZCBMKUKW-UHFFFAOYSA-N 0 1 374.443 4.266 20 5 FIBDMN COc1cc(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000451018651 1106871458 /nfs/dbraw/zinc/87/14/58/1106871458.db2.gz SBPXJJLSJPHYEE-SFHVURJKSA-N 0 1 366.421 4.125 20 5 FIBDMN COc1cc(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000451018650 1106873292 /nfs/dbraw/zinc/87/32/92/1106873292.db2.gz SBPXJJLSJPHYEE-GOSISDBHSA-N 0 1 366.421 4.125 20 5 FIBDMN CCc1cccc(CC)c1NC(=O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102303 1106932700 /nfs/dbraw/zinc/93/27/00/1106932700.db2.gz CLEGPMBBIMJCNY-LSDHHAIUSA-N 0 1 369.465 4.397 20 5 FIBDMN Cc1ccc([C@@H](C)N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000530965260 1107426967 /nfs/dbraw/zinc/42/69/67/1107426967.db2.gz KMAPEOGGHPZZEO-CZUORRHYSA-N 0 1 373.840 4.013 20 5 FIBDMN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531205221 1107648732 /nfs/dbraw/zinc/64/87/32/1107648732.db2.gz VZTFRSXHVXGBFN-YESZJQIVSA-N 0 1 369.465 4.128 20 5 FIBDMN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531205219 1107648843 /nfs/dbraw/zinc/64/88/43/1107648843.db2.gz VZTFRSXHVXGBFN-IXDOHACOSA-N 0 1 369.465 4.128 20 5 FIBDMN CCc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000531443418 1107903657 /nfs/dbraw/zinc/90/36/57/1107903657.db2.gz XEIQSTGMJXUURD-GJZGRUSLSA-N 0 1 355.438 4.143 20 5 FIBDMN CC(C)(C)[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(F)c1 ZINC000444685152 1108062861 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Cc1ccc([C@H](C)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000539052819 1111400967 /nfs/dbraw/zinc/40/09/67/1111400967.db2.gz OERQQVYJPZIDHN-LRDDRELGSA-N 0 1 368.355 4.306 20 5 FIBDMN CC[C@@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000539079526 1111423369 /nfs/dbraw/zinc/42/33/69/1111423369.db2.gz HXJNNBIKUGMHSZ-SJORKVTESA-N 0 1 373.840 4.094 20 5 FIBDMN Cc1cc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c(F)cc1[N+](=O)[O-] ZINC000461944796 1111426020 /nfs/dbraw/zinc/42/60/20/1111426020.db2.gz BTLJQOZQIRSTPW-HNNXBMFYSA-N 0 1 367.384 4.169 20 5 FIBDMN Cc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(F)cc1[N+](=O)[O-] ZINC000461944796 1111426021 /nfs/dbraw/zinc/42/60/21/1111426021.db2.gz BTLJQOZQIRSTPW-HNNXBMFYSA-N 0 1 367.384 4.169 20 5 FIBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000539376236 1111535539 /nfs/dbraw/zinc/53/55/39/1111535539.db2.gz CBKYGYDXQHXCEP-OAHLLOKOSA-N 0 1 363.417 4.346 20 5 FIBDMN CC1CCC(C)(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552056380 1111559981 /nfs/dbraw/zinc/55/99/81/1111559981.db2.gz ASKIWBSQOLGTNP-VDUSKEEQSA-N 0 1 356.470 4.224 20 5 FIBDMN Cc1cccc([C@@H](C)CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000552244819 1111635690 /nfs/dbraw/zinc/63/56/90/1111635690.db2.gz MVSCBVDLNCIGDZ-OXJNMPFZSA-N 0 1 364.449 4.119 20 5 FIBDMN CCS[C@@H]1CCC[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552246025 1111636272 /nfs/dbraw/zinc/63/62/72/1111636272.db2.gz FYDAOSAUPUHODN-KBAYOESNSA-N 0 1 374.510 4.072 20 5 FIBDMN CCC[C@H](NCc1cccc(C(=O)NC2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000552904202 1111850253 /nfs/dbraw/zinc/85/02/53/1111850253.db2.gz BPQSJXRTWHBHHF-FQEVSTJZSA-N 0 1 367.449 4.118 20 5 FIBDMN CCOc1cccc(CNCc2cccc([N+](=O)[O-])c2C)c1OC(F)F ZINC000480479633 1112440561 /nfs/dbraw/zinc/44/05/61/1112440561.db2.gz UNVUGWRSQLQZIL-UHFFFAOYSA-N 0 1 366.364 4.193 20 5 FIBDMN COc1ccccc1O[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000554873668 1112539722 /nfs/dbraw/zinc/53/97/22/1112539722.db2.gz PDEDTLRHGODNGH-KKMIYCERSA-N 0 1 368.433 4.160 20 5 FIBDMN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1F ZINC000593065632 1113257778 /nfs/dbraw/zinc/25/77/78/1113257778.db2.gz ZYUMAPAXVZGCPJ-CJNGLKHVSA-N 0 1 359.401 4.110 20 5 FIBDMN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482697811 1113334835 /nfs/dbraw/zinc/33/48/35/1113334835.db2.gz WJYGMSIRVVESSF-CABCVRRESA-N 0 1 350.422 4.158 20 5 FIBDMN CC[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000160495101 1113395430 /nfs/dbraw/zinc/39/54/30/1113395430.db2.gz YDBIIWFIGRIXQR-HXUWFJFHSA-N 0 1 368.481 4.467 20 5 FIBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n[nH]1 ZINC000486801560 1113652796 /nfs/dbraw/zinc/65/27/96/1113652796.db2.gz VDWJFPQLITYQOQ-BDAKNGLRSA-N 0 1 357.336 4.418 20 5 FIBDMN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCc2ccc(F)cc21 ZINC000911595582 1114001401 /nfs/dbraw/zinc/00/14/01/1114001401.db2.gz INDKFXCHXAXHQY-GFCCVEGCSA-N 0 1 355.369 4.037 20 5 FIBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000488916877 1114014890 /nfs/dbraw/zinc/01/48/90/1114014890.db2.gz LQDDDZLCODIQFT-UHFFFAOYSA-N 0 1 356.338 4.077 20 5 FIBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000490277302 1114253241 /nfs/dbraw/zinc/25/32/41/1114253241.db2.gz VWLLPEPKYDIFKF-NEPJUHHUSA-N 0 1 373.457 4.015 20 5 FIBDMN Cc1ccc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000490378340 1114281969 /nfs/dbraw/zinc/28/19/69/1114281969.db2.gz SJEPJPQVSHQUFA-UHFFFAOYSA-N 0 1 364.283 4.051 20 5 FIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(F)c1 ZINC000490400976 1114287856 /nfs/dbraw/zinc/28/78/56/1114287856.db2.gz NMMRPCKGGXBPRF-CYBMUJFWSA-N 0 1 373.359 4.394 20 5 FIBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccc(Br)c(F)c1 ZINC000570985648 1114426290 /nfs/dbraw/zinc/42/62/90/1114426290.db2.gz MBTMJFYCTYBQQC-HNNXBMFYSA-N 0 1 365.202 4.274 20 5 FIBDMN CC(C)Oc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000056170598 1114639816 /nfs/dbraw/zinc/63/98/16/1114639816.db2.gz YDHBTFZHDKKGLO-HUUCEWRRSA-N 0 1 371.437 4.060 20 5 FIBDMN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196489 1114658378 /nfs/dbraw/zinc/65/83/78/1114658378.db2.gz HGBCLLSSYJVBIM-HRCADAONSA-N 0 1 369.465 4.074 20 5 FIBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1Cl ZINC000056197417 1114658420 /nfs/dbraw/zinc/65/84/20/1114658420.db2.gz GQFYMTPSCQKMET-GHMZBOCLSA-N 0 1 365.792 4.065 20 5 FIBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000590170153 1114907312 /nfs/dbraw/zinc/90/73/12/1114907312.db2.gz AZPZYVKIFGTACT-KGLIPLIRSA-N 0 1 372.387 4.252 20 5 FIBDMN CC(C)CCSc1ccc(-c2nc([C@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000592357099 1115281206 /nfs/dbraw/zinc/28/12/06/1115281206.db2.gz PLJJSFFNZAYTMI-CYBMUJFWSA-N 0 1 362.455 4.208 20 5 FIBDMN Cc1ccc(-c2nn(C)cc2C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000592498049 1115326962 /nfs/dbraw/zinc/32/69/62/1115326962.db2.gz WHLPPMHEUFWHGS-UHFFFAOYSA-N 0 1 366.421 4.061 20 5 FIBDMN Cc1ccc(-c2nn(C)cc2CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000592498049 1115326965 /nfs/dbraw/zinc/32/69/65/1115326965.db2.gz WHLPPMHEUFWHGS-UHFFFAOYSA-N 0 1 366.421 4.061 20 5 FIBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccc(Br)s1 ZINC000594505305 1115452353 /nfs/dbraw/zinc/45/23/53/1115452353.db2.gz PPYBQBFKGFWMSP-LBPRGKRZSA-N 0 1 353.241 4.196 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cccc(Br)c1 ZINC000595014631 1115503893 /nfs/dbraw/zinc/50/38/93/1115503893.db2.gz MWSDKDTYMHHGDZ-LLVKDONJSA-N 0 1 365.227 4.217 20 5 FIBDMN CCCOCc1ccccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595015837 1115503997 /nfs/dbraw/zinc/50/39/97/1115503997.db2.gz HRBDTFQTQKBKQG-HNNXBMFYSA-N 0 1 358.438 4.381 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000595015893 1115504185 /nfs/dbraw/zinc/50/41/85/1115504185.db2.gz VKFJVSGFZPDYEL-NBQZKYEYSA-N 0 1 356.422 4.032 20 5 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367.449 4.118 20 5 FIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]1Cc1ccccc1 ZINC000479096582 1111947912 /nfs/dbraw/zinc/94/79/12/1111947912.db2.gz GQAMPMJHZIQBOP-KDOFPFPSSA-N 0 1 364.405 4.023 20 5 FIBDMN COc1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000480161940 1112310156 /nfs/dbraw/zinc/31/01/56/1112310156.db2.gz KKSYWZDLVWBOII-LLVKDONJSA-N 0 1 352.337 4.056 20 5 FIBDMN COc1ccc(C2(NCc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1 ZINC000555420551 1112827695 /nfs/dbraw/zinc/82/76/95/1112827695.db2.gz KSGDLPFVTHDWHS-UHFFFAOYSA-N 0 1 366.339 4.401 20 5 FIBDMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)n[nH]1 ZINC000486679421 1113621204 /nfs/dbraw/zinc/62/12/04/1113621204.db2.gz VGQAVORPTQKZFW-CHWSQXEVSA-N 0 1 369.425 4.337 20 5 FIBDMN CC[C@@H](C)c1nc([C@H](C)NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n[nH]1 ZINC000486723253 1113630274 /nfs/dbraw/zinc/63/02/74/1113630274.db2.gz REOACJWDIYQYQR-OLZOCXBDSA-N 0 1 369.425 4.337 20 5 FIBDMN 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IDNRCZQGMAQIGN-UHFFFAOYSA-N 0 1 369.450 4.134 20 5 FIBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000597217311 1115648791 /nfs/dbraw/zinc/64/87/91/1115648791.db2.gz CCNUMFMZKYYEOH-GRFAERAESA-N 0 1 368.433 4.445 20 5 FIBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H](CCCO)c1ccccc1 ZINC000602551966 1115710681 /nfs/dbraw/zinc/71/06/81/1115710681.db2.gz LXJRYSMNVOEGPP-MRXNPFEDSA-N 0 1 368.355 4.217 20 5 FIBDMN Cc1nn(-c2cccc(C)c2)cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593588727 1115741696 /nfs/dbraw/zinc/74/16/96/1115741696.db2.gz LPWXLHUGNNLBRQ-OAHLLOKOSA-N 0 1 350.422 4.248 20 5 FIBDMN CCc1ccc([C@H](NCC[C@@H]2CC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000598679015 1115743919 /nfs/dbraw/zinc/74/39/19/1115743919.db2.gz CXKGKIMYJGBSJE-CXAGYDPISA-N 0 1 350.365 4.475 20 5 FIBDMN Cc1c(CNCc2ccc(C(=O)OC(C)(C)C)s2)cccc1[N+](=O)[O-] ZINC000598977577 1115774176 /nfs/dbraw/zinc/77/41/76/1115774176.db2.gz KQXRSPOXGVVKGF-UHFFFAOYSA-N 0 1 362.451 4.210 20 5 FIBDMN 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/nfs/dbraw/zinc/35/18/63/1116351863.db2.gz NFJULJVCPGNJHT-QZTJIDSGSA-N 0 1 371.437 4.029 20 5 FIBDMN CCc1ccc([C@H](NC[C@](C)(OC)C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000462821849 1117796434 /nfs/dbraw/zinc/79/64/34/1117796434.db2.gz RKGFQCKZZMWMFJ-UXHICEINSA-N 0 1 358.438 4.244 20 5 FIBDMN CCc1ccc([C@H](N[C@H]2CCO[C@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000462832419 1117802337 /nfs/dbraw/zinc/80/23/37/1117802337.db2.gz HMGGRSGZCKKMGJ-ORYQWCPZSA-N 0 1 370.449 4.387 20 5 FIBDMN COc1ccc(CN[C@H]2CCCOc3cc(C)c(C)cc32)cc1[N+](=O)[O-] ZINC000540189976 1117920949 /nfs/dbraw/zinc/92/09/49/1117920949.db2.gz YLGGJFVQBMLOJP-KRWDZBQOSA-N 0 1 356.422 4.224 20 5 FIBDMN CC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000540324142 1117991649 /nfs/dbraw/zinc/99/16/49/1117991649.db2.gz INTMPFUIRZAJNX-OAHLLOKOSA-N 0 1 361.829 4.236 20 5 FIBDMN CCOc1ccccc1[C@H](CC)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000540353489 1117998795 /nfs/dbraw/zinc/99/87/95/1117998795.db2.gz DLIGMUMLXAFGCI-KDOFPFPSSA-N 0 1 371.437 4.061 20 5 FIBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000541626909 1118588059 /nfs/dbraw/zinc/58/80/59/1118588059.db2.gz ISNKUJLEEOKQQO-QWRGUYRKSA-N 0 1 367.858 4.378 20 5 FIBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000549928521 1118976584 /nfs/dbraw/zinc/97/65/84/1118976584.db2.gz UBZJWGCAKFRGRI-FQEVSTJZSA-N 0 1 364.401 4.210 20 5 FIBDMN CC(C)(NCc1cnc(-c2ccncc2)s1)c1ccccc1[N+](=O)[O-] ZINC000491994245 1119000995 /nfs/dbraw/zinc/00/09/95/1119000995.db2.gz DDTLMCZEWSLBML-UHFFFAOYSA-N 0 1 354.435 4.138 20 5 FIBDMN CCOc1cc(CN2CCC(N(C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000492647279 1119155025 /nfs/dbraw/zinc/15/50/25/1119155025.db2.gz DFJXTAORECFFLH-UHFFFAOYSA-N 0 1 369.465 4.094 20 5 FIBDMN CCCN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000493240667 1119431362 /nfs/dbraw/zinc/43/13/62/1119431362.db2.gz WLXFCBWRYBZCJN-CSMYWGQOSA-N 0 1 352.862 4.274 20 5 FIBDMN 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ZINC000153689375 1121026380 /nfs/dbraw/zinc/02/63/80/1121026380.db2.gz HYYBIVNQNJYSSZ-ZNOIYHFQSA-N 0 1 356.422 4.009 20 5 FIBDMN Cc1cnc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000301445748 1121268418 /nfs/dbraw/zinc/26/84/18/1121268418.db2.gz NXKIOKAYXSOZPT-UHFFFAOYSA-N 0 1 360.845 4.028 20 5 FIBDMN CCC[C@H](NCc1ccc(C(=O)OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090797714 1121548594 /nfs/dbraw/zinc/54/85/94/1121548594.db2.gz HXQULTIVWIKLRG-SFHVURJKSA-N 0 1 372.421 4.021 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(OCC(F)(F)F)nc1 ZINC000154972439 1122994192 /nfs/dbraw/zinc/99/41/92/1122994192.db2.gz DNMOJRXEIORWFA-LBPRGKRZSA-N 0 1 369.343 4.090 20 5 FIBDMN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000763443940 1123152979 /nfs/dbraw/zinc/15/29/79/1123152979.db2.gz HCLFAMGJGJJMGS-JTQLQIEISA-N 0 1 356.300 4.050 20 5 FIBDMN CC(C)c1ccc(CN[C@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000556896058 1123173602 /nfs/dbraw/zinc/17/36/02/1123173602.db2.gz 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CCC[C@H](NCc1ccc(OC)c(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000131978981 1125169537 /nfs/dbraw/zinc/16/95/37/1125169537.db2.gz ZPYHGHCXMOQRFC-SFHVURJKSA-N 0 1 371.437 4.193 20 5 FIBDMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255197751 1125221031 /nfs/dbraw/zinc/22/10/31/1125221031.db2.gz ASYUBDWHJKSHSX-JNLARVDPSA-N 0 1 358.463 4.038 20 5 FIBDMN O=[N+]([O-])c1cc(CN2CCC23CCOCC3)ccc1Oc1ccc(F)cc1 ZINC000618614656 1125223202 /nfs/dbraw/zinc/22/32/02/1125223202.db2.gz ONLJTFOGWNWDAC-UHFFFAOYSA-N 0 1 372.396 4.281 20 5 FIBDMN CN1Cc2ccccc2[C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000618986730 1125411411 /nfs/dbraw/zinc/41/14/11/1125411411.db2.gz RMNLDHXAXXEIOQ-VQTJNVASSA-N 0 1 351.450 4.094 20 5 FIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000481625879 568070518 /nfs/dbraw/zinc/07/05/18/568070518.db2.gz NKGIIWRTYGJEHR-UHFFFAOYSA-N 0 1 356.407 4.144 20 5 FIBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000569019691 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370.449 4.134 20 5 FIBDMN Cc1ccccc1C[C@@H](C)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000580279890 1084403680 /nfs/dbraw/zinc/40/36/80/1084403680.db2.gz VERWYBXHCPSLBV-OAHLLOKOSA-N 0 1 366.421 4.016 20 5 FIBDMN CC(C)(C)[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000072010589 1084549303 /nfs/dbraw/zinc/54/93/03/1084549303.db2.gz FZZZXTGEJMRPGL-QGZVFWFLSA-N 0 1 370.384 4.127 20 5 FIBDMN O=[N+]([O-])c1ccc(O)cc1CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000582075882 1084660466 /nfs/dbraw/zinc/66/04/66/1084660466.db2.gz SREALSZXRSQPRM-UHFFFAOYSA-N 0 1 353.205 4.386 20 5 FIBDMN O=[N+]([O-])c1ccccc1CCN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000548722490 1084840313 /nfs/dbraw/zinc/84/03/13/1084840313.db2.gz ZKCYEQIXYBSLAS-FQEVSTJZSA-N 0 1 351.381 4.051 20 5 FIBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@@H](OC(F)F)C3)o2)c1 ZINC000611609593 1085027456 /nfs/dbraw/zinc/02/74/56/1085027456.db2.gz RFNHUNXXYSJYLB-CQSZACIVSA-N 0 1 352.337 4.058 20 5 FIBDMN Cc1[nH]nc2cc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc12 ZINC000180321158 1085046041 /nfs/dbraw/zinc/04/60/41/1085046041.db2.gz YLZYINHQAQIARM-UHFFFAOYSA-N 0 1 364.283 4.051 20 5 FIBDMN COc1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2C)cc1OC(F)F ZINC000051709602 1085061818 /nfs/dbraw/zinc/06/18/18/1085061818.db2.gz WBKXJUCQCZIQIR-UHFFFAOYSA-N 0 1 366.364 4.145 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000124569685 1085165421 /nfs/dbraw/zinc/16/54/21/1085165421.db2.gz JDMGRCBCOGBJMY-VMLCMGRWSA-N 0 1 352.434 4.054 20 5 FIBDMN Cc1cc(C2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)[nH]n1 ZINC000549537025 1085463931 /nfs/dbraw/zinc/46/39/31/1085463931.db2.gz SKRMSLHLMXIIRW-UHFFFAOYSA-N 0 1 368.359 4.025 20 5 FIBDMN C[C@@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178643166 1085547822 /nfs/dbraw/zinc/54/78/22/1085547822.db2.gz PVRNSIQUPJPHPC-CQSZACIVSA-N 0 1 353.422 4.184 20 5 FIBDMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)ccc2NC1=O ZINC000178661128 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PAEBJTDFBVNGEL-OALUTQOASA-N 0 1 358.413 4.434 20 5 FIBDMN COc1ccc([C@@H](CCO)N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433305954 1093572043 /nfs/dbraw/zinc/57/20/43/1093572043.db2.gz QQMHJEJWERHHPI-WOJBJXKFSA-N 0 1 370.449 4.039 20 5 FIBDMN COc1ccc([C@@H](CCO)N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433305949 1093572176 /nfs/dbraw/zinc/57/21/76/1093572176.db2.gz QQMHJEJWERHHPI-UXHICEINSA-N 0 1 370.449 4.039 20 5 FIBDMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000513507438 1094168788 /nfs/dbraw/zinc/16/87/88/1094168788.db2.gz ULDFIWMOTBZTDR-RGFKIIKPSA-N 0 1 352.862 4.010 20 5 FIBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1csc(Br)c1 ZINC000404219008 1094189286 /nfs/dbraw/zinc/18/92/86/1094189286.db2.gz WCQNBOKAUOITRV-UHFFFAOYSA-N 0 1 355.257 4.093 20 5 FIBDMN C[C@@H](c1ccsc1)N1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413236019 1094767099 /nfs/dbraw/zinc/76/70/99/1094767099.db2.gz QVYBYQDIVLJZJU-AWEZNQCLSA-N 0 1 368.462 4.088 20 5 FIBDMN Cc1cc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)ccc1[N+](=O)[O-] ZINC000513729340 1095083051 /nfs/dbraw/zinc/08/30/51/1095083051.db2.gz NOZOGWPGBWSNAR-UHFFFAOYSA-N 0 1 373.372 4.094 20 5 FIBDMN CCOc1cc(CN[C@@H](CC(F)F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000420994161 1095232283 /nfs/dbraw/zinc/23/22/83/1095232283.db2.gz MVMHTKWVYYDBPI-HNNXBMFYSA-N 0 1 350.365 4.480 20 5 FIBDMN CCCn1nccc1C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000502328218 1095384187 /nfs/dbraw/zinc/38/41/87/1095384187.db2.gz UUSOFXPOZUOHJK-FNORWQNLSA-N 0 1 354.454 4.094 20 5 FIBDMN CCc1[nH]nc(C(=O)Nc2cc(Cl)ccc2SC(C)C)c1[N+](=O)[O-] ZINC000444179499 1095806242 /nfs/dbraw/zinc/80/62/42/1095806242.db2.gz FIDKKCKJGIXEPV-UHFFFAOYSA-N 0 1 368.846 4.287 20 5 FIBDMN CCc1[nH]nc(C(=O)N(C)[C@H](c2ccccc2Cl)C(C)C)c1[N+](=O)[O-] ZINC000444263700 1095914711 /nfs/dbraw/zinc/91/47/11/1095914711.db2.gz BJRKACWUGKQOER-HNNXBMFYSA-N 0 1 364.833 4.003 20 5 FIBDMN O=[N+]([O-])c1ccccc1CNCc1cc2cc(Br)ccc2[nH]1 ZINC000183818379 1096218506 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CCCCn1cc(CN[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)c(C)n1 ZINC000537014409 1101395138 /nfs/dbraw/zinc/39/51/38/1101395138.db2.gz MSZJFJKKXSTXHY-CQSZACIVSA-N 0 1 360.458 4.149 20 5 FIBDMN CC(C)CC[C@H](NCc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000537065875 1101434765 /nfs/dbraw/zinc/43/47/65/1101434765.db2.gz FRLWFLLSKYUPGR-HNNXBMFYSA-N 0 1 350.850 4.249 20 5 FIBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000537100688 1101449218 /nfs/dbraw/zinc/44/92/18/1101449218.db2.gz FSPYPRAGZTXDQF-CQSZACIVSA-N 0 1 370.375 4.224 20 5 FIBDMN Cc1ccc([C@H](C)NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000537175373 1101520294 /nfs/dbraw/zinc/52/02/94/1101520294.db2.gz GWSCSRYFSFHXLJ-IRXDYDNUSA-N 0 1 369.465 4.048 20 5 FIBDMN CCC[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1cccc([N+](=O)[O-])c1 ZINC000537452806 1101805108 /nfs/dbraw/zinc/80/51/08/1101805108.db2.gz WUSGDLCJCISZJV-QGZVFWFLSA-N 0 1 354.406 4.444 20 5 FIBDMN Cc1c([C@@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cnn1C 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ZLUPKPSHFPGXHM-INIZCTEOSA-N 0 1 366.870 4.303 20 5 FIBDMN Cc1cc(C)cc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000531204968 1107648139 /nfs/dbraw/zinc/64/81/39/1107648139.db2.gz NCEFZEYFUQTCSO-HZPDHXFCSA-N 0 1 355.438 4.198 20 5 FIBDMN Cc1ccc([C@H](C)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000531443947 1107903238 /nfs/dbraw/zinc/90/32/38/1107903238.db2.gz XRAWLAWRZZIAGK-SUMWQHHRSA-N 0 1 373.840 4.013 20 5 FIBDMN CCc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000531443420 1107903638 /nfs/dbraw/zinc/90/36/38/1107903638.db2.gz XEIQSTGMJXUURD-LSDHHAIUSA-N 0 1 355.438 4.143 20 5 FIBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000523451608 1108213910 /nfs/dbraw/zinc/21/39/10/1108213910.db2.gz LJADJUASULHGJA-WMLDXEAASA-N 0 1 356.397 4.390 20 5 FIBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccnc(C(F)(F)F)c1)CCC2 ZINC000453278154 1108352576 /nfs/dbraw/zinc/35/25/76/1108352576.db2.gz BXRUZRLDUKSRHI-OAHLLOKOSA-N 0 1 351.328 4.176 20 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CCOc1ccc([C@@H](C)NCc2cccc(NC(=O)CC)c2)cc1[N+](=O)[O-] ZINC000535065379 1116264231 /nfs/dbraw/zinc/26/42/31/1116264231.db2.gz OHISWGOIECYJQW-CQSZACIVSA-N 0 1 371.437 4.193 20 5 FIBDMN CC(C)c1ccc([C@@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000535383161 1116301488 /nfs/dbraw/zinc/30/14/88/1116301488.db2.gz ONPZJMUMHWAYJA-IBGZPJMESA-N 0 1 367.449 4.154 20 5 FIBDMN CCOc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000152768572 1116323674 /nfs/dbraw/zinc/32/36/74/1116323674.db2.gz CJQGAZFZFJBVLE-CHWSQXEVSA-N 0 1 358.394 4.134 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2nc(CN(C[C@H]3CCCO3)C3CCCC3)co2)cc1 ZINC000089905831 1116346916 /nfs/dbraw/zinc/34/69/16/1116346916.db2.gz YDPFUPUHPFAZRI-LJQANCHMSA-N 0 1 371.437 4.173 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2nc(CN(C[C@@H]3CCCO3)C3CCCC3)co2)cc1 ZINC000089905828 1116346934 /nfs/dbraw/zinc/34/69/34/1116346934.db2.gz YDPFUPUHPFAZRI-IBGZPJMESA-N 0 1 371.437 4.173 20 5 FIBDMN CN(C)Cc1cc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)ccc1F ZINC000462841576 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IKTRVOJMTMPADM-HNNXBMFYSA-N 0 1 367.449 4.493 20 5 FIBDMN COc1ccc(OCCN2C[C@@H](C)C[C@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000464727292 1118674061 /nfs/dbraw/zinc/67/40/61/1118674061.db2.gz VFZXZPRKYLSQRZ-KSSFIOAISA-N 0 1 374.412 4.204 20 5 FIBDMN CCOc1cc(CSc2nc(-c3ccccc3F)n[nH]2)ccc1[N+](=O)[O-] ZINC000491886529 1118992530 /nfs/dbraw/zinc/99/25/30/1118992530.db2.gz DZJIAFLBRCNNHI-UHFFFAOYSA-N 0 1 374.397 4.210 20 5 FIBDMN CCOc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1OCC ZINC000492050941 1119008381 /nfs/dbraw/zinc/00/83/81/1119008381.db2.gz UHIGIUGWOQJCDG-UHFFFAOYSA-N 0 1 358.438 4.417 20 5 FIBDMN Cc1ccc(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000492652489 1119151795 /nfs/dbraw/zinc/15/17/95/1119151795.db2.gz BOUIDEQIGUFOIF-UHFFFAOYSA-N 0 1 365.393 4.064 20 5 FIBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1OC(F)F ZINC000492728791 1119174417 /nfs/dbraw/zinc/17/44/17/1119174417.db2.gz PYWATCFDJHWACZ-CQSZACIVSA-N 0 1 366.364 4.446 20 5 FIBDMN 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ZINC000124287418 1121679802 /nfs/dbraw/zinc/67/98/02/1121679802.db2.gz JGSGLOMXPUQTTM-OXQOHEQNSA-N 0 1 370.449 4.312 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H](c1ccccc1)C(C)C ZINC000497389456 1122202358 /nfs/dbraw/zinc/20/23/58/1122202358.db2.gz MPSBYZVKXWCCHT-HXUWFJFHSA-N 0 1 355.438 4.171 20 5 FIBDMN CC(C)(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)cc2[nH]1 ZINC000919671988 1123077463 /nfs/dbraw/zinc/07/74/63/1123077463.db2.gz GKKLDBBWSUQOQA-UHFFFAOYSA-N 0 1 356.357 4.160 20 5 FIBDMN O=[N+]([O-])c1sccc1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000609625336 1123773103 /nfs/dbraw/zinc/77/31/03/1123773103.db2.gz IRNWDHCOYVGXJX-ZDUSSCGKSA-N 0 1 371.384 4.362 20 5 FIBDMN CCN1CCCC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609762404 1123835012 /nfs/dbraw/zinc/83/50/12/1123835012.db2.gz IBMZKMYFADFDSP-LJQANCHMSA-N 0 1 369.421 4.200 20 5 FIBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000609763192 1123835044 /nfs/dbraw/zinc/83/50/44/1123835044.db2.gz 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O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H](c4ccc(Cl)cc4)C3)nc2c1 ZINC000444656128 1124751652 /nfs/dbraw/zinc/75/16/52/1124751652.db2.gz ZNXRBIFBEMMDOI-ZDUSSCGKSA-N 0 1 356.813 4.114 20 5 FIBDMN CCOc1ccc([C@H](C)NCc2ccc(OCC3CC3)nc2)cc1[N+](=O)[O-] ZINC000153428712 1124951840 /nfs/dbraw/zinc/95/18/40/1124951840.db2.gz OXOALSSJQOFDLC-AWEZNQCLSA-N 0 1 371.437 4.028 20 5 FIBDMN Cc1ccc([C@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)n1 ZINC000618798232 1125283277 /nfs/dbraw/zinc/28/32/77/1125283277.db2.gz APLFVYWHEUCIOL-NSHDSACASA-N 0 1 353.344 4.476 20 5 FIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481388969 567882850 /nfs/dbraw/zinc/88/28/50/567882850.db2.gz GELRSEWBLXDTMW-XIKOKIGWSA-N 0 1 364.829 4.123 20 5 FIBDMN Cc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000481713606 568094032 /nfs/dbraw/zinc/09/40/32/568094032.db2.gz RYXIMSLZCCJTTD-UHFFFAOYSA-N 0 1 360.845 4.028 20 5 FIBDMN CC[C@H](CN(CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000481747656 568108417 /nfs/dbraw/zinc/10/84/17/568108417.db2.gz HXSIWKHAWRBACC-QGZVFWFLSA-N 0 1 369.465 4.357 20 5 FIBDMN Cc1ccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cn1 ZINC000603682955 568135205 /nfs/dbraw/zinc/13/52/05/568135205.db2.gz RJALKMHNRLDKNR-UHFFFAOYSA-N 0 1 362.433 4.356 20 5 FIBDMN Cc1cccc([C@@H]2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000569386203 568400088 /nfs/dbraw/zinc/40/00/88/568400088.db2.gz WFRQKJITAOBGRX-SJLPKXTDSA-N 0 1 367.449 4.028 20 5 FIBDMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000182022170 568467968 /nfs/dbraw/zinc/46/79/68/568467968.db2.gz AXQCLWBFYNYVAH-JTQLQIEISA-N 0 1 368.220 4.191 20 5 FIBDMN Cc1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])[nH]c1-c1ccccc1 ZINC000187141165 1079913655 /nfs/dbraw/zinc/91/36/55/1079913655.db2.gz FVCOCCZKJZHBNY-UHFFFAOYSA-N 0 1 368.418 4.024 20 5 FIBDMN Cc1cnc(NC[C@H](c2ccccc2Cl)N2CCCC2)c([N+](=O)[O-])c1 ZINC000610283861 1081206543 /nfs/dbraw/zinc/20/65/43/1081206543.db2.gz IOHFXSVJJYYRQH-QGZVFWFLSA-N 0 1 360.845 4.201 20 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ZINC000179751582 1083614566 /nfs/dbraw/zinc/61/45/66/1083614566.db2.gz QQPBRAIHLNDBCF-GOEBONIOSA-N 0 1 371.437 4.061 20 5 FIBDMN Cc1cc(F)cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1[N+](=O)[O-] ZINC000179843639 1083711317 /nfs/dbraw/zinc/71/13/17/1083711317.db2.gz VXNMQPYITKJEEM-UHFFFAOYSA-N 0 1 364.283 4.109 20 5 FIBDMN Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548926093 1083770121 /nfs/dbraw/zinc/77/01/21/1083770121.db2.gz UQZPLZQVSJJTEY-UHFFFAOYSA-N 0 1 367.336 4.062 20 5 FIBDMN COCCOc1cc(C)ccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167638717 1083930694 /nfs/dbraw/zinc/93/06/94/1083930694.db2.gz LTAOCQVYEZIIDX-INIZCTEOSA-N 0 1 358.438 4.088 20 5 FIBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCc3cc(F)c(OC)cc32)cc1[N+](=O)[O-] ZINC000511019376 1084213432 /nfs/dbraw/zinc/21/34/32/1084213432.db2.gz VOWVWLSOFLBARZ-SJKOYZFVSA-N 0 1 374.412 4.479 20 5 FIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H](CO)c2ccsc2)s1 ZINC000472073460 1084240358 /nfs/dbraw/zinc/24/03/58/1084240358.db2.gz KGBFDXTUSYFHKQ-HNNXBMFYSA-N 0 1 360.460 4.208 20 5 FIBDMN COc1cc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000157441433 1084382845 /nfs/dbraw/zinc/38/28/45/1084382845.db2.gz WWSRSCXMBKGBRR-UONOGXRCSA-N 0 1 374.437 4.341 20 5 FIBDMN O=[N+]([O-])c1ccccc1OCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000071961777 1084421004 /nfs/dbraw/zinc/42/10/04/1084421004.db2.gz PILFEWZNOCBFSO-UHFFFAOYSA-N 0 1 362.455 4.007 20 5 FIBDMN O=[N+]([O-])c1ccccc1OCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000071961777 1084421013 /nfs/dbraw/zinc/42/10/13/1084421013.db2.gz PILFEWZNOCBFSO-UHFFFAOYSA-N 0 1 362.455 4.007 20 5 FIBDMN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCCCC2 ZINC001167539407 1084493220 /nfs/dbraw/zinc/49/32/20/1084493220.db2.gz MQIIWLUUIIIFGX-QZTJIDSGSA-N 0 1 350.434 4.294 20 5 FIBDMN CC[C@@](C)(NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nccs1 ZINC000173510851 1084634992 /nfs/dbraw/zinc/63/49/92/1084634992.db2.gz YUIGVSIQDQJZGZ-GOSISDBHSA-N 0 1 372.450 4.164 20 5 FIBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C2CC2)c1 ZINC000451110258 1084681332 /nfs/dbraw/zinc/68/13/32/1084681332.db2.gz FGWFZRGTARHTEM-GFCCVEGCSA-N 0 1 373.840 4.415 20 5 FIBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(c2ccccc2)C1 ZINC001167586219 1085182681 /nfs/dbraw/zinc/18/26/81/1085182681.db2.gz JCXAVPXIZMXJCP-GOSISDBHSA-N 0 1 359.857 4.349 20 5 FIBDMN CCCCOc1ccc([C@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000549535645 1085460920 /nfs/dbraw/zinc/46/09/20/1085460920.db2.gz ISEPGYCELQVOPD-AWEZNQCLSA-N 0 1 374.437 4.339 20 5 FIBDMN Cc1ccc(F)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178682254 1085780864 /nfs/dbraw/zinc/78/08/64/1085780864.db2.gz PYRHHUNVWPSLKV-KBPBESRZSA-N 0 1 359.401 4.029 20 5 FIBDMN CC(C)[C@@H](c1ccccc1)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000112731568 1085951851 /nfs/dbraw/zinc/95/18/51/1085951851.db2.gz ZWCWSJIZNCSOJS-IBGZPJMESA-N 0 1 366.421 4.474 20 5 FIBDMN CC(=O)c1ccc(N[C@@H](CN2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000079024243 1085981033 /nfs/dbraw/zinc/98/10/33/1085981033.db2.gz UXXSDLLEPIRMIC-IBGZPJMESA-N 0 1 353.422 4.046 20 5 FIBDMN CCC[C@H]1[C@H](C)CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001167799441 1086430949 /nfs/dbraw/zinc/43/09/49/1086430949.db2.gz ZNUXSCVFMIAPKH-DOMZBBRYSA-N 0 1 353.850 4.087 20 5 FIBDMN CC(C)CC(=O)Nc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000583273629 1086508459 /nfs/dbraw/zinc/50/84/59/1086508459.db2.gz WJPQSEXXDLYVKS-LJQANCHMSA-N 0 1 367.449 4.357 20 5 FIBDMN CCN(Cc1ccccc1C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898091 1086895969 /nfs/dbraw/zinc/89/59/69/1086895969.db2.gz WTRCTXPELWZPPK-UHFFFAOYSA-N 0 1 350.422 4.246 20 5 FIBDMN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000278658312 1087200208 /nfs/dbraw/zinc/20/02/08/1087200208.db2.gz NXUUAIZRKXQXBT-UHFFFAOYSA-N 0 1 353.422 4.127 20 5 FIBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000180398070 1087895783 /nfs/dbraw/zinc/89/57/83/1087895783.db2.gz WNAYCTIKNMJVPM-GRDNDAEWSA-N 0 1 373.478 4.059 20 5 FIBDMN C[C@@H](NCc1ccc(SC(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180406795 1087900747 /nfs/dbraw/zinc/90/07/47/1087900747.db2.gz AZLNRVNPHVYSQT-CYBMUJFWSA-N 0 1 359.451 4.219 20 5 FIBDMN CC[C@H](N[C@H](CCC(=O)OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180674999 1088017454 /nfs/dbraw/zinc/01/74/54/1088017454.db2.gz CJOJQZAHROEAEF-RBUKOAKNSA-N 0 1 356.422 4.330 20 5 FIBDMN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000434240110 1088423564 /nfs/dbraw/zinc/42/35/64/1088423564.db2.gz PQJBDTCOVDRILM-HOTGVXAUSA-N 0 1 370.453 4.158 20 5 FIBDMN Cn1ccnc1[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000514094187 1088741775 /nfs/dbraw/zinc/74/17/75/1088741775.db2.gz MFLVQYAZVVVZKJ-MJKGWSOKSA-N 0 1 368.481 4.366 20 5 FIBDMN Cn1ccnc1[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000514094189 1088742256 /nfs/dbraw/zinc/74/22/56/1088742256.db2.gz MFLVQYAZVVVZKJ-ZCDKGFTFSA-N 0 1 368.481 4.366 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414566736 1088833834 /nfs/dbraw/zinc/83/38/34/1088833834.db2.gz XHVQIDRUEOOYBR-RACPOZDESA-N 0 1 364.445 4.462 20 5 FIBDMN CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000434618623 1088867955 /nfs/dbraw/zinc/86/79/55/1088867955.db2.gz PAUGPZXLVFFTTO-LJQANCHMSA-N 0 1 374.412 4.430 20 5 FIBDMN CC(C)[C@H](c1ccc(F)cc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000434618623 1088867977 /nfs/dbraw/zinc/86/79/77/1088867977.db2.gz PAUGPZXLVFFTTO-LJQANCHMSA-N 0 1 374.412 4.430 20 5 FIBDMN CN(Cc1ccc(OCC(F)(F)F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000505502486 1088993441 /nfs/dbraw/zinc/99/34/41/1088993441.db2.gz YBGQHYFYSAJQGG-UHFFFAOYSA-N 0 1 354.328 4.168 20 5 FIBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@H](c3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000434891564 1089097294 /nfs/dbraw/zinc/09/72/94/1089097294.db2.gz IYAINUNAZZKEDM-BQFCYCMXSA-N 0 1 367.449 4.108 20 5 FIBDMN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1c1ccccc1 ZINC000435027209 1089223980 /nfs/dbraw/zinc/22/39/80/1089223980.db2.gz LKKMAZCULYHXPA-WMLDXEAASA-N 0 1 351.406 4.362 20 5 FIBDMN O=[N+]([O-])c1cc(F)c(CSc2n[nH]c(CCC3CCCC3)n2)c(F)c1 ZINC000505705675 1089738729 /nfs/dbraw/zinc/73/87/29/1089738729.db2.gz KOLNUAMWZQHDQR-UHFFFAOYSA-N 0 1 368.409 4.406 20 5 FIBDMN O=[N+]([O-])c1cc(F)c(CSc2nc(CCC3CCCC3)n[nH]2)c(F)c1 ZINC000505705675 1089738741 /nfs/dbraw/zinc/73/87/41/1089738741.db2.gz KOLNUAMWZQHDQR-UHFFFAOYSA-N 0 1 368.409 4.406 20 5 FIBDMN O=[N+]([O-])c1cccc(CN(C[C@@H]2CC[C@H](c3ccccc3)O2)C2CC2)c1 ZINC001167733819 1090265863 /nfs/dbraw/zinc/26/58/63/1090265863.db2.gz DPRXKLRFLYDXOI-LEWJYISDSA-N 0 1 352.434 4.480 20 5 FIBDMN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000500066091 1091017065 /nfs/dbraw/zinc/01/70/65/1091017065.db2.gz NOQPGWHDNCLOTJ-JTQLQIEISA-N 0 1 368.311 4.152 20 5 FIBDMN O=[N+]([O-])c1cc(CN[C@H]2CCc3c2cccc3Br)cs1 ZINC000105491812 1091024021 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ROHUFQCGOLFPDL-GOSISDBHSA-N 0 1 354.454 4.108 20 5 FIBDMN Cc1noc(CN[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595433458 1115536148 /nfs/dbraw/zinc/53/61/48/1115536148.db2.gz WWUUFVJANORAQW-NXEZZACHSA-N 0 1 357.332 4.192 20 5 FIBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CC2CC2)c2ccccc2)c1 ZINC000593020614 1115538511 /nfs/dbraw/zinc/53/85/11/1115538511.db2.gz QECHYLZEQRGZQE-SFHVURJKSA-N 0 1 354.406 4.012 20 5 FIBDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000595519348 1115540077 /nfs/dbraw/zinc/54/00/77/1115540077.db2.gz XHNYXVKBRZFNIU-SECBINFHSA-N 0 1 350.831 4.379 20 5 FIBDMN O=C(CCN1CC2(CCCC2)[C@@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000595673467 1115556212 /nfs/dbraw/zinc/55/62/12/1115556212.db2.gz FJOVOXWSRUFMQS-IBGZPJMESA-N 0 1 369.421 4.134 20 5 FIBDMN Cc1cc(N2CCC[C@@H]([C@@H]3CCCCO3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596506748 1115595693 /nfs/dbraw/zinc/59/56/93/1115595693.db2.gz SWBPYOXLTHENHT-QRWLVFNGSA-N 0 1 355.438 4.237 20 5 FIBDMN COCC1(C2CCC2)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597194196 1115646328 /nfs/dbraw/zinc/64/63/28/1115646328.db2.gz YSJMXFSNRIJWGH-UHFFFAOYSA-N 0 1 356.422 4.103 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001168413872 1115752391 /nfs/dbraw/zinc/75/23/91/1115752391.db2.gz LMYCQLDVBODHJK-HXUWFJFHSA-N 0 1 369.465 4.013 20 5 FIBDMN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000603483406 1115780555 /nfs/dbraw/zinc/78/05/55/1115780555.db2.gz DDVOEYATMQHEDO-UHFFFAOYSA-N 0 1 366.421 4.041 20 5 FIBDMN CC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC000593708100 1115801573 /nfs/dbraw/zinc/80/15/73/1115801573.db2.gz HNKZREACCFXVHH-BBRMVZONSA-N 0 1 374.437 4.423 20 5 FIBDMN CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739294 1115811637 /nfs/dbraw/zinc/81/16/37/1115811637.db2.gz AIPUMVDKUPFYQT-QGZVFWFLSA-N 0 1 354.406 4.061 20 5 FIBDMN CC[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000593744331 1115812154 /nfs/dbraw/zinc/81/21/54/1115812154.db2.gz PVOMZHSINZQBES-DNVCBOLYSA-N 0 1 368.433 4.309 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1cccc2ccccc21 ZINC000603892012 1115826892 /nfs/dbraw/zinc/82/68/92/1115826892.db2.gz VKGINBZGTSPODV-UHFFFAOYSA-N 0 1 363.417 4.127 20 5 FIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])cc3C)[nH]c2c1 ZINC000604567747 1115870177 /nfs/dbraw/zinc/87/01/77/1115870177.db2.gz BSGXUDMBPMAJLP-SFHVURJKSA-N 0 1 364.405 4.065 20 5 FIBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC4(CCCCC4)CC3)n2)c1 ZINC000608833419 1116130770 /nfs/dbraw/zinc/13/07/70/1116130770.db2.gz XETWYSXCCTXYOB-UHFFFAOYSA-N 0 1 356.426 4.191 20 5 FIBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000534850422 1116242480 /nfs/dbraw/zinc/24/24/80/1116242480.db2.gz ANDQIXQQFWVKFP-MRXNPFEDSA-N 0 1 370.453 4.069 20 5 FIBDMN CCOc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000535072225 1116267466 /nfs/dbraw/zinc/26/74/66/1116267466.db2.gz MFQIVQZRDDTHHT-UHFFFAOYSA-N 0 1 356.422 4.167 20 5 FIBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000535414753 1116305428 /nfs/dbraw/zinc/30/54/28/1116305428.db2.gz DDLLTSYQFKOULZ-UHFFFAOYSA-N 0 1 371.303 4.142 20 5 FIBDMN O=[N+]([O-])c1ccc2[nH]c(CNCc3ccc(C4CCCC4)cc3)nc2c1 ZINC000462910846 1117855838 /nfs/dbraw/zinc/85/58/38/1117855838.db2.gz IFNPBJNVIGFXOC-UHFFFAOYSA-N 0 1 350.422 4.419 20 5 FIBDMN CCN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000463036224 1117928767 /nfs/dbraw/zinc/92/87/67/1117928767.db2.gz JNHFUIKRORIERT-INIZCTEOSA-N 0 1 360.385 4.137 20 5 FIBDMN CC(C)c1ccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2cccs2)cc1 ZINC000122346279 1117953236 /nfs/dbraw/zinc/95/32/36/1117953236.db2.gz ZEMYSWJGRDCQJI-MRXNPFEDSA-N 0 1 370.434 4.022 20 5 FIBDMN CCC[C@@H](NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000540476993 1118078540 /nfs/dbraw/zinc/07/85/40/1118078540.db2.gz GUGPUYXIJUXFQF-QFBILLFUSA-N 0 1 369.465 4.211 20 5 FIBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(c2ccc(C)nc2)CC1 ZINC000541246553 1118445852 /nfs/dbraw/zinc/44/58/52/1118445852.db2.gz QAIAGTXRIIXDQW-UHFFFAOYSA-N 0 1 355.438 4.077 20 5 FIBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CSc2ccccc2)C1 ZINC000464761508 1118684305 /nfs/dbraw/zinc/68/43/05/1118684305.db2.gz FEXLDYGEPTZLLS-HNNXBMFYSA-N 0 1 358.463 4.218 20 5 FIBDMN CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000609144644 1118772248 /nfs/dbraw/zinc/77/22/48/1118772248.db2.gz TZUAOUWLAFZFKU-UZLBHIALSA-N 0 1 358.413 4.334 20 5 FIBDMN COc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000492000691 1119002007 /nfs/dbraw/zinc/00/20/07/1119002007.db2.gz OSINBUOWPWKMCG-UHFFFAOYSA-N 0 1 366.364 4.230 20 5 FIBDMN CC(C)(NCc1cc(Br)cs1)c1ccccc1[N+](=O)[O-] ZINC000492255135 1119059074 /nfs/dbraw/zinc/05/90/74/1119059074.db2.gz DCRNGMBDPSFJPT-UHFFFAOYSA-N 0 1 355.257 4.444 20 5 FIBDMN CCOc1cc(CN2CCC[C@@H](Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492538828 1119126665 /nfs/dbraw/zinc/12/66/65/1119126665.db2.gz QRBNLEDQKRTHNP-GOSISDBHSA-N 0 1 355.438 4.070 20 5 FIBDMN COc1cc(CN[C@@H](C)c2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000492756833 1119185039 /nfs/dbraw/zinc/18/50/39/1119185039.db2.gz MDCGOJOLVJWDEH-NSHDSACASA-N 0 1 370.327 4.353 20 5 FIBDMN O=[N+]([O-])c1ccc(CNCc2csc(Br)c2)cc1Cl ZINC000761522722 1119406543 /nfs/dbraw/zinc/40/65/43/1119406543.db2.gz ZJAAYFXWCUJSTD-UHFFFAOYSA-N 0 1 361.648 4.362 20 5 FIBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H](COCc2ccccc2)C1 ZINC000493252436 1119435609 /nfs/dbraw/zinc/43/56/09/1119435609.db2.gz HRIVIYJUWFILMV-MRXNPFEDSA-N 0 1 360.841 4.287 20 5 FIBDMN CCc1ccc([C@@H](NCCCc2c[nH]nc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542480753 1119828563 /nfs/dbraw/zinc/82/85/63/1119828563.db2.gz PSMMZAQAAKFVDL-FQEVSTJZSA-N 0 1 368.437 4.094 20 5 FIBDMN C[C@H]1C[C@@H]1CN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000915634966 1121012161 /nfs/dbraw/zinc/01/21/61/1121012161.db2.gz QAVCOHOOLYNRLD-WMLDXEAASA-N 0 1 355.394 4.161 20 5 FIBDMN Cc1ccc(CNCc2ccc(N(C)c3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000915683104 1121020215 /nfs/dbraw/zinc/02/02/15/1121020215.db2.gz OUJJSGFNKSVWIX-UHFFFAOYSA-N 0 1 362.433 4.356 20 5 FIBDMN Cc1ccc(C=Cc2n[nH]c(SCc3cc(F)ccc3[N+](=O)[O-])n2)o1 ZINC000915795303 1121061073 /nfs/dbraw/zinc/06/10/73/1121061073.db2.gz DHRHRUHYHDHLSQ-FNORWQNLSA-N 0 1 360.370 4.216 20 5 FIBDMN CC(=O)c1ccc(NC[C@H]2CCCN(C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000301430586 1121154890 /nfs/dbraw/zinc/15/48/90/1121154890.db2.gz QIBGGKIAOYWZQY-DNVCBOLYSA-N 0 1 373.478 4.354 20 5 FIBDMN Cc1ccc([C@@H](C)NCc2ccnc(OC3CCCC3)c2)cc1[N+](=O)[O-] ZINC000153349545 1121183339 /nfs/dbraw/zinc/18/33/39/1121183339.db2.gz NCPYQIGSIYSFAF-OAHLLOKOSA-N 0 1 355.438 4.470 20 5 FIBDMN Cc1c([C@@H](C)NCc2ccnc(OC3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000153352611 1121220745 /nfs/dbraw/zinc/22/07/45/1121220745.db2.gz YANWNJVZKLDXGU-OAHLLOKOSA-N 0 1 355.438 4.470 20 5 FIBDMN Cc1[nH]nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)ccc12 ZINC000496848260 1121542868 /nfs/dbraw/zinc/54/28/68/1121542868.db2.gz XOXFGEOYMGRKNX-UHFFFAOYSA-N 0 1 364.283 4.051 20 5 FIBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000542702822 1122304159 /nfs/dbraw/zinc/30/41/59/1122304159.db2.gz VPIIUZDUTCVTJA-UHFFFAOYSA-N 0 1 362.813 4.008 20 5 FIBDMN COc1ccccc1COC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000556981216 1123288676 /nfs/dbraw/zinc/28/86/76/1123288676.db2.gz UVNKWMHYGHROET-INIZCTEOSA-N 0 1 370.449 4.346 20 5 FIBDMN CC(C)c1ccc(CNCC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000920179767 1123396768 /nfs/dbraw/zinc/39/67/68/1123396768.db2.gz CPGBMZNXXJWVSR-UHFFFAOYSA-N 0 1 361.829 4.100 20 5 FIBDMN CC[C@H]1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000609766767 1123825156 /nfs/dbraw/zinc/82/51/56/1123825156.db2.gz PABJCWCFZKRJNZ-LBPRGKRZSA-N 0 1 358.385 4.217 20 5 FIBDMN Cc1ccc(CNC2(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000237760296 1124044900 /nfs/dbraw/zinc/04/49/00/1124044900.db2.gz HPIOTWNHFDJETI-UHFFFAOYSA-N 0 1 361.239 4.445 20 5 FIBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179840916 1124117833 /nfs/dbraw/zinc/11/78/33/1124117833.db2.gz LCRVQCVQQYAMIO-FPYGCLRLSA-N 0 1 358.304 4.061 20 5 FIBDMN CC(=O)Nc1cccc2c1CCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)C2 ZINC000615836112 1124128183 /nfs/dbraw/zinc/12/81/83/1124128183.db2.gz VOARVWIMSPMRLS-RVDMUPIBSA-N 0 1 365.433 4.015 20 5 FIBDMN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl ZINC000765848987 1124193494 /nfs/dbraw/zinc/19/34/94/1124193494.db2.gz MYLIAONWNOHGHY-QFYYESIMSA-N 0 1 355.221 4.286 20 5 FIBDMN CC[C@@H](C)Oc1cc(CNCc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000616483549 1124320180 /nfs/dbraw/zinc/32/01/80/1124320180.db2.gz HRBLHHLOWDSGOH-CQSZACIVSA-N 0 1 358.438 4.379 20 5 FIBDMN CC(C)N(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)c1ccccc1 ZINC000428840038 1124511841 /nfs/dbraw/zinc/51/18/41/1124511841.db2.gz LNIMUJOCPKQSJP-HNNXBMFYSA-N 0 1 356.422 4.433 20 5 FIBDMN Cc1cccc(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1[N+](=O)[O-] ZINC000618175658 1125106209 /nfs/dbraw/zinc/10/62/09/1125106209.db2.gz XLFGSSDKQGAVLS-LLVKDONJSA-N 0 1 354.332 4.029 20 5 FIBDMN CCc1cccc(CC)c1NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181812168 1125141721 /nfs/dbraw/zinc/14/17/21/1125141721.db2.gz JLFFLIBDLYWKLF-HNNXBMFYSA-N 0 1 369.465 4.317 20 5 FIBDMN Cc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(N2CCCC2)n1 ZINC000618574094 1125213136 /nfs/dbraw/zinc/21/31/36/1125213136.db2.gz QZZJKQULAXAVNG-HXUWFJFHSA-N 0 1 366.465 4.066 20 5 FIBDMN COc1ccc2c(c1)OCC[C@@H]2N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985171 1125411312 /nfs/dbraw/zinc/41/13/12/1125411312.db2.gz JNIVTMKBHIVRLT-OALUTQOASA-N 0 1 368.433 4.439 20 5 FIBDMN COc1ccc2c(c1)OCC[C@H]2N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985170 1125411597 /nfs/dbraw/zinc/41/15/97/1125411597.db2.gz JNIVTMKBHIVRLT-MOPGFXCFSA-N 0 1 368.433 4.439 20 5 FIBDMN COc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000070860937 568198331 /nfs/dbraw/zinc/19/83/31/568198331.db2.gz UGDGSGMRWCLQNF-NSHDSACASA-N 0 1 352.337 4.056 20 5 FIBDMN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000436650639 568231868 /nfs/dbraw/zinc/23/18/68/568231868.db2.gz ZIYPPVQBBBALRE-UHFFFAOYSA-N 0 1 356.378 4.269 20 5 FIBDMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000436648617 568234017 /nfs/dbraw/zinc/23/40/17/568234017.db2.gz OWMYEGSFDCWBPD-NSHDSACASA-N 0 1 374.418 4.012 20 5 FIBDMN CC1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1[C@@H]1CCCO1 ZINC000568921623 568252468 /nfs/dbraw/zinc/25/24/68/568252468.db2.gz JMKOSSWRGHTSCU-RBUKOAKNSA-N 0 1 356.422 4.244 20 5 FIBDMN CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1[C@@H]1CCCO1 ZINC000568921623 568252469 /nfs/dbraw/zinc/25/24/69/568252469.db2.gz JMKOSSWRGHTSCU-RBUKOAKNSA-N 0 1 356.422 4.244 20 5 FIBDMN CNc1ccc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000032465491 568391025 /nfs/dbraw/zinc/39/10/25/568391025.db2.gz WIMSZZGOOKUZLG-UHFFFAOYSA-N 0 1 367.409 4.063 20 5 FIBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nn1C ZINC000453074726 568391433 /nfs/dbraw/zinc/39/14/33/568391433.db2.gz TXNIVIRIKIRWEB-HUUCEWRRSA-N 0 1 350.422 4.407 20 5 FIBDMN COc1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000182668998 1125595086 /nfs/dbraw/zinc/59/50/86/1125595086.db2.gz WEARSYBDFVFQOF-HNNXBMFYSA-N 0 1 362.813 4.260 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000430218663 1080001614 /nfs/dbraw/zinc/00/16/14/1080001614.db2.gz NHUPBDOFQRUSHP-KZULUSFZSA-N 0 1 364.829 4.123 20 5 FIBDMN O=[N+]([O-])c1cccc(F)c1CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000610219610 1080013538 /nfs/dbraw/zinc/01/35/38/1080013538.db2.gz AWJXHCKJCKRGPJ-UHFFFAOYSA-N 0 1 366.324 4.090 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000430230399 1080036106 /nfs/dbraw/zinc/03/61/06/1080036106.db2.gz YMUXOZUWYHHIOA-NSHDSACASA-N 0 1 354.328 4.473 20 5 FIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000610226502 1080040807 /nfs/dbraw/zinc/04/08/07/1080040807.db2.gz LPSRGYIAYYDJED-SFHVURJKSA-N 0 1 364.405 4.065 20 5 FIBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@H](CSc4ccccc4)C3)nc2c1 ZINC000177161294 1081199031 /nfs/dbraw/zinc/19/90/31/1081199031.db2.gz HXMHHJKYTBVAJD-AWEZNQCLSA-N 0 1 369.446 4.350 20 5 FIBDMN CN1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000536021101 1081415718 /nfs/dbraw/zinc/41/57/18/1081415718.db2.gz AMXDDXQHPOGXQI-MRXNPFEDSA-N 0 1 351.328 4.212 20 5 FIBDMN C[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000610341780 1081496664 /nfs/dbraw/zinc/49/66/64/1081496664.db2.gz XTZCUZKMTIXLKS-GUYCJALGSA-N 0 1 373.840 4.094 20 5 FIBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000610476343 1082300247 /nfs/dbraw/zinc/30/02/47/1082300247.db2.gz OKXFMBDBWPSEGS-YLJYHZDGSA-N 0 1 358.413 4.334 20 5 FIBDMN COc1ccc([C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000051283948 1082985117 /nfs/dbraw/zinc/98/51/17/1082985117.db2.gz UUOVZXBBUZQXHE-SFHVURJKSA-N 0 1 356.422 4.258 20 5 FIBDMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582147 1083213352 /nfs/dbraw/zinc/21/33/52/1083213352.db2.gz AJKATRUEAUKZAE-LBPRGKRZSA-N 0 1 359.813 4.452 20 5 FIBDMN CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000535721648 1083609323 /nfs/dbraw/zinc/60/93/23/1083609323.db2.gz RQMNLZUKFFTYJO-CYBMUJFWSA-N 0 1 361.829 4.097 20 5 FIBDMN CCOCCOc1cc(C)ccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167148257 1083631284 /nfs/dbraw/zinc/63/12/84/1083631284.db2.gz XERVEWDWCIDQFH-QGZVFWFLSA-N 0 1 372.465 4.478 20 5 FIBDMN CCCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](C)c1ccc(C)o1 ZINC000610921308 1083848948 /nfs/dbraw/zinc/84/89/48/1083848948.db2.gz NWILWLXXMVHMGT-CYBMUJFWSA-N 0 1 362.430 4.346 20 5 FIBDMN CN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000612540007 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CCOc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1OC(F)F ZINC000151647147 1093331854 /nfs/dbraw/zinc/33/18/54/1093331854.db2.gz XGTMANGZQCEXEQ-LBPRGKRZSA-N 0 1 366.364 4.446 20 5 FIBDMN COC[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000433287309 1093544567 /nfs/dbraw/zinc/54/45/67/1093544567.db2.gz PAEBJTDFBVNGEL-MOPGFXCFSA-N 0 1 358.413 4.434 20 5 FIBDMN CC(C)c1[nH]nc(C(=O)N(C)C2CCC(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000433693022 1094056736 /nfs/dbraw/zinc/05/67/36/1094056736.db2.gz HCVAWZUEOUTXCI-UHFFFAOYSA-N 0 1 350.463 4.118 20 5 FIBDMN COc1ccccc1O[C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000513406685 1094105581 /nfs/dbraw/zinc/10/55/81/1094105581.db2.gz WERYKRTZLKSINB-HZPDHXFCSA-N 0 1 356.422 4.208 20 5 FIBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000433997845 1094231685 /nfs/dbraw/zinc/23/16/85/1094231685.db2.gz BUJYWNLDJHWANV-GFCCVEGCSA-N 0 1 370.409 4.411 20 5 FIBDMN Cc1nccn1-c1ccc([C@@H](C)NCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000183140613 1094332690 /nfs/dbraw/zinc/33/26/90/1094332690.db2.gz JKWUBQRYMYNZCB-CYBMUJFWSA-N 0 1 354.385 4.079 20 5 FIBDMN COc1ccc([C@@H](Cc2ccncc2)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000513697587 1094354906 /nfs/dbraw/zinc/35/49/06/1094354906.db2.gz PIEKINSQLYJCIL-HXUWFJFHSA-N 0 1 363.417 4.072 20 5 FIBDMN O=[N+]([O-])c1cnc(N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)s1 ZINC000413377734 1095000518 /nfs/dbraw/zinc/00/05/18/1095000518.db2.gz OTDDSQHAQSYIDH-GFCCVEGCSA-N 0 1 363.830 4.313 20 5 FIBDMN CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000544370682 1095014240 /nfs/dbraw/zinc/01/42/40/1095014240.db2.gz KELOATWCIFAWGY-DIFFPNOSSA-N 0 1 352.793 4.253 20 5 FIBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000443951279 1095227634 /nfs/dbraw/zinc/22/76/34/1095227634.db2.gz SVNBPMKKDZLXAX-QMMMGPOBSA-N 0 1 371.224 4.020 20 5 FIBDMN Cc1c2ccccc2oc1[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000183551997 1095519675 /nfs/dbraw/zinc/51/96/75/1095519675.db2.gz XQBJQDDUXYJNCK-CQSZACIVSA-N 0 1 367.405 4.247 20 5 FIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000143130080 1095642616 /nfs/dbraw/zinc/64/26/16/1095642616.db2.gz LYNUVFIJAPTKDI-QGZVFWFLSA-N 0 1 365.393 4.149 20 5 FIBDMN CCc1ccc([C@H](N[C@@H]2CCO[C@@H](CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421850637 1095955151 /nfs/dbraw/zinc/95/51/51/1095955151.db2.gz DSLNOWCJRHEGPL-MOXGXCLJSA-N 0 1 358.438 4.387 20 5 FIBDMN CO[C@]1(C)C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000237274410 1095977276 /nfs/dbraw/zinc/97/72/76/1095977276.db2.gz SGBOPYQSEBIKEZ-CRAIPNDOSA-N 0 1 361.467 4.012 20 5 FIBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000434187599 1096279860 /nfs/dbraw/zinc/27/98/60/1096279860.db2.gz CASCYKITLNFIRO-HNNXBMFYSA-N 0 1 356.426 4.199 20 5 FIBDMN CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001269349699 1096377877 /nfs/dbraw/zinc/37/78/77/1096377877.db2.gz GHNYEYRJYYUKQX-QWHCGFSZSA-N 0 1 358.442 4.196 20 5 FIBDMN Cc1ccc(C=Cc2n[nH]c(SCc3c(F)cccc3[N+](=O)[O-])n2)o1 ZINC000504530166 1096799480 /nfs/dbraw/zinc/79/94/80/1096799480.db2.gz PJPJQLNWYWBFCC-BQYQJAHWSA-N 0 1 360.370 4.216 20 5 FIBDMN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505735623 1098627233 /nfs/dbraw/zinc/62/72/33/1098627233.db2.gz GPEADADABKZECX-UHFFFAOYSA-N 0 1 374.356 4.096 20 5 FIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000533366665 1098981710 /nfs/dbraw/zinc/98/17/10/1098981710.db2.gz BRKZDOQSXUBUHK-SFHVURJKSA-N 0 1 355.438 4.068 20 5 FIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](Nc2ccccc2)C1 ZINC000533366665 1098981714 /nfs/dbraw/zinc/98/17/14/1098981714.db2.gz BRKZDOQSXUBUHK-SFHVURJKSA-N 0 1 355.438 4.068 20 5 FIBDMN Cc1ccccc1[C@H]1C[C@H](C)N(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000533438755 1099042195 /nfs/dbraw/zinc/04/21/95/1099042195.db2.gz OYDKAOHLGOBCOR-IRXDYDNUSA-N 0 1 367.449 4.028 20 5 FIBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000436472935 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0 1 372.387 4.084 20 5 FIBDMN CC[C@@H](CSC)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000518011819 1100862479 /nfs/dbraw/zinc/86/24/79/1100862479.db2.gz VMCXFCSZGUKSQG-AWEZNQCLSA-N 0 1 351.497 4.292 20 5 FIBDMN Cc1ccccc1[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[C@@H](C)C1 ZINC000537058073 1101414503 /nfs/dbraw/zinc/41/45/03/1101414503.db2.gz HTTVXVYLFWMDOG-IDHHARJASA-N 0 1 356.470 4.294 20 5 FIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000475711763 1101423515 /nfs/dbraw/zinc/42/35/15/1101423515.db2.gz DCHBCQPQYPABHM-NEPJUHHUSA-N 0 1 371.368 4.158 20 5 FIBDMN Cc1cc(C)cc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000537117576 1101461949 /nfs/dbraw/zinc/46/19/49/1101461949.db2.gz PVYADGQLPDEXFQ-ZDUSSCGKSA-N 0 1 361.829 4.154 20 5 FIBDMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506754743 1102014429 /nfs/dbraw/zinc/01/44/29/1102014429.db2.gz AVJPMDAABFYPAU-NWDGAFQWSA-N 0 1 362.813 4.218 20 5 FIBDMN 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C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC(C)(C)CC(C)(C)C1 ZINC000466932811 1091694671 /nfs/dbraw/zinc/69/46/71/1091694671.db2.gz CZJVDCOARCYUCD-ZDUSSCGKSA-N 0 1 358.442 4.464 20 5 FIBDMN CC(C)(NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1 ZINC000067011199 1091884251 /nfs/dbraw/zinc/88/42/51/1091884251.db2.gz WTMMTZXWTVEYKF-UHFFFAOYSA-N 0 1 362.813 4.140 20 5 FIBDMN Cc1c(NC(=O)[C@@H](C)N2CCC[C@]3(CC=CCC3)C2)cccc1[N+](=O)[O-] ZINC000512213600 1091918296 /nfs/dbraw/zinc/91/82/96/1091918296.db2.gz ODHCDCKRBCFTSI-OXQOHEQNSA-N 0 1 357.454 4.053 20 5 FIBDMN O=[N+]([O-])c1cc(CNC2(c3ccc(Cl)cc3)CCOCC2)cs1 ZINC000107898981 1091973624 /nfs/dbraw/zinc/97/36/24/1091973624.db2.gz MVJMNCAQQATEFJ-UHFFFAOYSA-N 0 1 352.843 4.105 20 5 FIBDMN COC1(C)CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000500792674 1092587077 /nfs/dbraw/zinc/58/70/77/1092587077.db2.gz MPXUPXHVFYNEOF-UHFFFAOYSA-N 0 1 369.465 4.364 20 5 FIBDMN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1cc([N+](=O)[O-])ccc1OC ZINC000474048285 1093142215 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354.385 4.079 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)C(C)(C)C ZINC000474265657 1093630835 /nfs/dbraw/zinc/63/08/35/1093630835.db2.gz LEPGEVSVHDYBDO-UHFFFAOYSA-N 0 1 355.438 4.142 20 5 FIBDMN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000178869467 1093972695 /nfs/dbraw/zinc/97/26/95/1093972695.db2.gz MVFVXXIWXZYKRT-LEWJYISDSA-N 0 1 366.392 4.147 20 5 FIBDMN Cc1ccc([C@H]2CCCCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])o1 ZINC000433761225 1094083177 /nfs/dbraw/zinc/08/31/77/1094083177.db2.gz YYPWNYIIMYMQSX-CYBMUJFWSA-N 0 1 360.414 4.100 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000513440872 1094127500 /nfs/dbraw/zinc/12/75/00/1094127500.db2.gz YLELTWYYFXKICZ-ZVVFDCPKSA-N 0 1 352.390 4.174 20 5 FIBDMN O=[N+]([O-])c1cccnc1N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000413381829 1095020334 /nfs/dbraw/zinc/02/03/34/1095020334.db2.gz XGCQNFSJXSOZFY-AWEZNQCLSA-N 0 1 357.801 4.251 20 5 FIBDMN CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000444243278 1095902961 /nfs/dbraw/zinc/90/29/61/1095902961.db2.gz PSESOXOIVAKFOO-GOSISDBHSA-N 0 1 369.465 4.103 20 5 FIBDMN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434193415 1096354419 /nfs/dbraw/zinc/35/44/19/1096354419.db2.gz JMIVHKNSPOBBFD-JKSUJKDBSA-N 0 1 370.453 4.240 20 5 FIBDMN CC1(C)C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2cc(N)ccc2O1 ZINC000423445427 1096677921 /nfs/dbraw/zinc/67/79/21/1096677921.db2.gz SCRMIOQPTNIZMP-OALUTQOASA-N 0 1 367.449 4.446 20 5 FIBDMN Cn1c2ccccc2nc1[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000533387670 1099017431 /nfs/dbraw/zinc/01/74/31/1099017431.db2.gz KNSOLTPVZHAWNU-HXUWFJFHSA-N 0 1 364.449 4.251 20 5 FIBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425556539 1099031826 /nfs/dbraw/zinc/03/18/26/1099031826.db2.gz UPPBKSLAGCSYFB-KRWDZBQOSA-N 0 1 350.846 4.029 20 5 FIBDMN O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4ccc(O)c(F)c4)no3)cc21 ZINC000436881946 1099399185 /nfs/dbraw/zinc/39/91/85/1099399185.db2.gz ZFNKCFMRUIAOGI-UHFFFAOYSA-N 0 1 373.343 4.243 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000506098428 1100092473 /nfs/dbraw/zinc/09/24/73/1100092473.db2.gz CYNGKMDUASFBHE-CJISVDGZSA-N 0 1 366.417 4.216 20 5 FIBDMN CCOc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1O ZINC000459471591 1100225347 /nfs/dbraw/zinc/22/53/47/1100225347.db2.gz BCYUCIZRKPVRIW-UHFFFAOYSA-N 0 1 364.829 4.377 20 5 FIBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000506497011 1101204523 /nfs/dbraw/zinc/20/45/23/1101204523.db2.gz WRYLBLNQOYLLLD-QMMMGPOBSA-N 0 1 355.177 4.098 20 5 FIBDMN CC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000537027554 1101404410 /nfs/dbraw/zinc/40/44/10/1101404410.db2.gz CTSAQHUBWKESFY-OAHLLOKOSA-N 0 1 361.829 4.236 20 5 FIBDMN Cc1ccc([C@@H](C)NCC(=O)N[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000537175600 1101520751 /nfs/dbraw/zinc/52/07/51/1101520751.db2.gz RLFORZRMVIHHGH-IERDGZPVSA-N 0 1 369.465 4.067 20 5 FIBDMN O=C(Nc1ccc(F)c(F)c1O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001625987897 1101975546 /nfs/dbraw/zinc/97/55/46/1101975546.db2.gz HRQSVWQELVFYEW-UHFFFAOYSA-N 0 1 350.302 4.046 20 5 FIBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000191365561 1102155344 /nfs/dbraw/zinc/15/53/44/1102155344.db2.gz ZLGCBCYZMXBUCD-KBPBESRZSA-N 0 1 367.405 4.327 20 5 FIBDMN Cc1c([C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cnn1C ZINC000171049808 1102397245 /nfs/dbraw/zinc/39/72/45/1102397245.db2.gz QNYNJSKEASLELV-NSHDSACASA-N 0 1 374.828 4.401 20 5 FIBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](COCc2ccccc2)C1 ZINC000537649709 1102705093 /nfs/dbraw/zinc/70/50/93/1102705093.db2.gz XNKBXGVQESSSGS-SFHVURJKSA-N 0 1 370.449 4.032 20 5 FIBDMN CC[C@H](C)c1nc([C@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000486791691 1102913985 /nfs/dbraw/zinc/91/39/85/1102913985.db2.gz OXMCMWLHVGTBAC-IUCAKERBSA-N 0 1 368.235 4.162 20 5 FIBDMN CC(=O)c1ccc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000507003702 1103043346 /nfs/dbraw/zinc/04/33/46/1103043346.db2.gz XVYFNEZWRCHHDQ-KBXCAEBGSA-N 0 1 353.422 4.045 20 5 FIBDMN COCCOc1ccccc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000507170979 1103189113 /nfs/dbraw/zinc/18/91/13/1103189113.db2.gz RIGMUTWCESBADA-UHFFFAOYSA-N 0 1 358.438 4.031 20 5 FIBDMN Cc1ccc(Cl)c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)nc12 ZINC000507355725 1103326979 /nfs/dbraw/zinc/32/69/79/1103326979.db2.gz DBYGEVNOSCKXBR-UHFFFAOYSA-N 0 1 357.753 4.063 20 5 FIBDMN CCOC(=O)c1oc2c(c1C)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000192740455 1103421357 /nfs/dbraw/zinc/42/13/57/1103421357.db2.gz SDZOGGFEBWPORC-XJKSGUPXSA-N 0 1 372.421 4.401 20 5 FIBDMN CCC[N@@H+](CCc1cccs1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184509289 1104501751 /nfs/dbraw/zinc/50/17/51/1104501751.db2.gz CQMDBFBSVFAPDH-UHFFFAOYSA-N 0 1 372.450 4.161 20 5 FIBDMN CC(C)c1nc([C@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)n[nH]1 ZINC000536495858 1105220963 /nfs/dbraw/zinc/22/09/63/1105220963.db2.gz CHWGLOJMRBOINK-LBPRGKRZSA-N 0 1 371.466 4.416 20 5 FIBDMN CN(c1ccccc1)c1ccc(CNCc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000508080154 1105316993 /nfs/dbraw/zinc/31/69/93/1105316993.db2.gz TUYCHYBKXJACBH-UHFFFAOYSA-N 0 1 363.417 4.358 20 5 FIBDMN O=C(Nc1nc2ccccc2n1C1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428026791 1105349320 /nfs/dbraw/zinc/34/93/20/1105349320.db2.gz GAMFVAWDDYQHLK-UHFFFAOYSA-N 0 1 366.377 4.018 20 5 FIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000451117230 1106929161 /nfs/dbraw/zinc/92/91/61/1106929161.db2.gz UCIDOVHCAYDECV-AWEZNQCLSA-N 0 1 353.422 4.070 20 5 FIBDMN Cc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000531204163 1107646049 /nfs/dbraw/zinc/64/60/49/1107646049.db2.gz CJWGIIGLDXJTBS-HZPDHXFCSA-N 0 1 355.438 4.198 20 5 FIBDMN COc1cc(CN2CCC3(CCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000610004557 1107889813 /nfs/dbraw/zinc/88/98/13/1107889813.db2.gz SJDGPUOAJLBFEW-UHFFFAOYSA-N 0 1 370.396 4.361 20 5 FIBDMN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000475603512 1107944522 /nfs/dbraw/zinc/94/45/22/1107944522.db2.gz UCJQMKYGJHDXKT-UHFFFAOYSA-N 0 1 352.394 4.329 20 5 FIBDMN CCOc1cc2c(cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1C)O[C@@H](C)C2 ZINC000531688735 1108055210 /nfs/dbraw/zinc/05/52/10/1108055210.db2.gz DTGHJAXIIOSLOV-DZGCQCFKSA-N 0 1 370.449 4.476 20 5 FIBDMN CCOc1cc2c(cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1C)O[C@H](C)C2 ZINC000531688737 1108055989 /nfs/dbraw/zinc/05/59/89/1108055989.db2.gz DTGHJAXIIOSLOV-UKRRQHHQSA-N 0 1 370.449 4.476 20 5 FIBDMN Cc1ccnc(NC[C@@H](c2ccccc2Cl)N2CCCC2)c1[N+](=O)[O-] ZINC000523759700 1108503150 /nfs/dbraw/zinc/50/31/50/1108503150.db2.gz HENIYMQADORHCA-INIZCTEOSA-N 0 1 360.845 4.201 20 5 FIBDMN CC[C@H](NCc1ccnc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000155226815 1108628582 /nfs/dbraw/zinc/62/85/82/1108628582.db2.gz QPVGZTHGGPPOLY-HNNXBMFYSA-N 0 1 369.343 4.172 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000475693482 1108777010 /nfs/dbraw/zinc/77/70/10/1108777010.db2.gz ISLATYMGYFTIBC-LBPRGKRZSA-N 0 1 371.368 4.078 20 5 FIBDMN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000190625269 1108839938 /nfs/dbraw/zinc/83/99/38/1108839938.db2.gz ZLGCBCYZMXBUCD-ZIAGYGMSSA-N 0 1 367.405 4.327 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000524515506 1109057687 /nfs/dbraw/zinc/05/76/87/1109057687.db2.gz CSEMQYATMMEJDU-UHFFFAOYSA-N 0 1 352.394 4.329 20 5 FIBDMN COc1ccc(OCCN2CCC(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000524755788 1109144166 /nfs/dbraw/zinc/14/41/66/1109144166.db2.gz BKUMNSPQFCSRCC-UHFFFAOYSA-N 0 1 374.412 4.001 20 5 FIBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000026368174 1110243828 /nfs/dbraw/zinc/24/38/28/1110243828.db2.gz CKVJLECXFNPPEY-QWHCGFSZSA-N 0 1 361.829 4.234 20 5 FIBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000026368181 1110244545 /nfs/dbraw/zinc/24/45/45/1110244545.db2.gz CKVJLECXFNPPEY-OLZOCXBDSA-N 0 1 361.829 4.234 20 5 FIBDMN COC(=O)c1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000450689810 1110330803 /nfs/dbraw/zinc/33/08/03/1110330803.db2.gz YFCJMFHKGGVHKK-LBPRGKRZSA-N 0 1 362.813 4.194 20 5 FIBDMN CC[C@@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539052335 1111401569 /nfs/dbraw/zinc/40/15/69/1111401569.db2.gz VUQKNEWHAUTPBI-IAGOWNOFSA-N 0 1 368.355 4.388 20 5 FIBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1c(F)cncc1F ZINC000552093312 1111572777 /nfs/dbraw/zinc/57/27/77/1111572777.db2.gz CNQODFRCJGHBRY-NEPJUHHUSA-N 0 1 367.421 4.490 20 5 FIBDMN Cc1cccc([C@H](C)CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000552244435 1111636149 /nfs/dbraw/zinc/63/61/49/1111636149.db2.gz AFMFJVRTCFKNKZ-OXQOHEQNSA-N 0 1 364.449 4.119 20 5 FIBDMN CCC(=O)c1ccc(NC[C@H](c2ccc(F)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000479368238 1112001878 /nfs/dbraw/zinc/00/18/78/1112001878.db2.gz QMJCOIVJNFQPFF-GOSISDBHSA-N 0 1 359.401 4.041 20 5 FIBDMN O=[N+]([O-])c1ccc(O)cc1CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000555404399 1112813712 /nfs/dbraw/zinc/81/37/12/1112813712.db2.gz FMLQSEWXKRBUKF-UHFFFAOYSA-N 0 1 353.205 4.386 20 5 FIBDMN Cc1c(CN[C@H](C)c2ccc(-n3cccn3)c(F)c2)cccc1[N+](=O)[O-] ZINC000555598617 1112937942 /nfs/dbraw/zinc/93/79/42/1112937942.db2.gz ZBDLHLPPJBZEFF-CQSZACIVSA-N 0 1 354.385 4.079 20 5 FIBDMN Cc1c(CN[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cccc1[N+](=O)[O-] ZINC000555626708 1112953867 /nfs/dbraw/zinc/95/38/67/1112953867.db2.gz ZBDLHLPPJBZEFF-AWEZNQCLSA-N 0 1 354.385 4.079 20 5 FIBDMN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482697826 1113334711 /nfs/dbraw/zinc/33/47/11/1113334711.db2.gz WJYGMSIRVVESSF-LSDHHAIUSA-N 0 1 350.422 4.158 20 5 FIBDMN Cc1c([C@H](C)NCc2ccc(N3CCC(C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000160491655 1113395072 /nfs/dbraw/zinc/39/50/72/1113395072.db2.gz FEAWNGULUQTPCR-KRWDZBQOSA-N 0 1 368.481 4.385 20 5 FIBDMN Cc1cccc(CC2(O)CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000482931131 1113402096 /nfs/dbraw/zinc/40/20/96/1113402096.db2.gz WMEGPIKOXVFWNB-KRWDZBQOSA-N 0 1 354.450 4.034 20 5 FIBDMN CC[C@H](C)c1nc([C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000486792116 1113646327 /nfs/dbraw/zinc/64/63/27/1113646327.db2.gz QXPGKTIJGBFPDZ-IUCAKERBSA-N 0 1 357.336 4.418 20 5 FIBDMN COc1ccc(CN[C@@H](c2ccc(F)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000150874469 1114145248 /nfs/dbraw/zinc/14/52/48/1114145248.db2.gz FVKVIJMDELIEIA-GOSISDBHSA-N 0 1 350.365 4.369 20 5 FIBDMN Cc1ccc([C@@H]2C[C@H](C)N(CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000490039210 1114207021 /nfs/dbraw/zinc/20/70/21/1114207021.db2.gz JBTIZPKKAHKUIU-FUHWJXTLSA-N 0 1 367.449 4.028 20 5 FIBDMN COc1ccc2c(c1)OCC[C@H]2N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348045 1115068325 /nfs/dbraw/zinc/06/83/25/1115068325.db2.gz YCPMHGRILGSIQP-VQTJNVASSA-N 0 1 368.433 4.484 20 5 FIBDMN CCOCCOc1cc(C)ccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000167148048 1115206599 /nfs/dbraw/zinc/20/65/99/1115206599.db2.gz SEAJWGVFYAQSOW-QGZVFWFLSA-N 0 1 372.465 4.478 20 5 FIBDMN C[C@@H]1CC2(CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCOCC2 ZINC000592185023 1115222038 /nfs/dbraw/zinc/22/20/38/1115222038.db2.gz UDNZNWRVIWYKLZ-GFCCVEGCSA-N 0 1 358.360 4.005 20 5 FIBDMN CC(C)(C)OC(=O)C1(C)CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000592522713 1115341126 /nfs/dbraw/zinc/34/11/26/1115341126.db2.gz FWKNJCTWNBVQOP-VQHVLOKHSA-N 0 1 360.454 4.052 20 5 FIBDMN Cc1[nH]c(SCCOc2cccc([N+](=O)[O-])c2)nc1Cc1ccccc1 ZINC000059122198 1115432326 /nfs/dbraw/zinc/43/23/26/1115432326.db2.gz CMBSITQPTJBPKP-UHFFFAOYSA-N 0 1 369.446 4.388 20 5 FIBDMN CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc2c(c1)OCCO2 ZINC000595018087 1115504007 /nfs/dbraw/zinc/50/40/07/1115504007.db2.gz PVDBLQFZGPNQRP-CXAGYDPISA-N 0 1 372.421 4.177 20 5 FIBDMN CCc1ccc([C@@H](NC[C@@H]2CCOC2(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595108513 1115516401 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Cc1c(CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000599666429 1115834581 /nfs/dbraw/zinc/83/45/81/1115834581.db2.gz OHBLEUPXQKESIC-INIZCTEOSA-N 0 1 369.248 4.423 20 5 FIBDMN C[C@@H]1Cc2ccccc2N1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000604483430 1115866433 /nfs/dbraw/zinc/86/64/33/1115866433.db2.gz VXXWFAAVTYLAGF-MRXNPFEDSA-N 0 1 351.450 4.010 20 5 FIBDMN CCCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](C)c1ccc(C)o1 ZINC000604491442 1115867858 /nfs/dbraw/zinc/86/78/58/1115867858.db2.gz IQSXFUJNYGPCDF-CYBMUJFWSA-N 0 1 370.409 4.376 20 5 FIBDMN Cc1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000604550576 1115869055 /nfs/dbraw/zinc/86/90/55/1115869055.db2.gz CAXBAKFPCJHCDI-ZDUSSCGKSA-N 0 1 370.434 4.091 20 5 FIBDMN CC(C)Cn1ccc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000063476067 1116072260 /nfs/dbraw/zinc/07/22/60/1116072260.db2.gz MZZDLFQNVBKFNK-UHFFFAOYSA-N 0 1 373.434 4.006 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC4(CCCCC4)CC3)n2)cc1 ZINC000608833233 1116130750 /nfs/dbraw/zinc/13/07/50/1116130750.db2.gz CHLKDBXSPPJFPL-UHFFFAOYSA-N 0 1 356.426 4.191 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000534025291 1116150302 /nfs/dbraw/zinc/15/03/02/1116150302.db2.gz SQVPPYNVJMGRNC-UHFFFAOYSA-N 0 1 350.378 4.299 20 5 FIBDMN CCCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCCCO1 ZINC000089912260 1116351841 /nfs/dbraw/zinc/35/18/41/1116351841.db2.gz YZYIRMVOOMYVJF-SFHVURJKSA-N 0 1 359.426 4.031 20 5 FIBDMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089910130 1116351971 /nfs/dbraw/zinc/35/19/71/1116351971.db2.gz GDTJWQBWVOVCQQ-AWEZNQCLSA-N 0 1 367.405 4.018 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCS[C@@H]4CCCC[C@@H]43)co2)cc1 ZINC000089909230 1116352289 /nfs/dbraw/zinc/35/22/89/1116352289.db2.gz AKORIOXFAPTPML-DLBZAZTESA-N 0 1 359.451 4.110 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000540152933 1117906880 /nfs/dbraw/zinc/90/68/80/1117906880.db2.gz 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Cc1ccc([C@@H](CC(=O)OC(C)C)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000540468892 1118083293 /nfs/dbraw/zinc/08/32/93/1118083293.db2.gz ZNRQSSKQMAYAMH-LJQANCHMSA-N 0 1 356.422 4.076 20 5 FIBDMN CCOc1ccc([C@H](C)NCc2ccc(OC(C)C)nc2)cc1[N+](=O)[O-] ZINC000152971816 1118402895 /nfs/dbraw/zinc/40/28/95/1118402895.db2.gz HUPJMIUNWYGLBO-AWEZNQCLSA-N 0 1 359.426 4.027 20 5 FIBDMN Cc1cccc([C@@H]2CCCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C ZINC000464771302 1118681302 /nfs/dbraw/zinc/68/13/02/1118681302.db2.gz CZGZJRCPXSUQJK-IBGZPJMESA-N 0 1 367.449 4.038 20 5 FIBDMN COc1ccc(OCCN2CC[C@H](C)C[C@H]2c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000464841789 1118717738 /nfs/dbraw/zinc/71/77/38/1118717738.db2.gz XZHYATMQYGIAAY-YOEHRIQHSA-N 0 1 374.437 4.357 20 5 FIBDMN C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000271751604 1118794674 /nfs/dbraw/zinc/79/46/74/1118794674.db2.gz KVQUOHBNEDCKDO-LBPRGKRZSA-N 0 1 373.840 4.448 20 5 FIBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H]1Cn1cnc2ccccc21 ZINC000491841757 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CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000481387437 567876916 /nfs/dbraw/zinc/87/69/16/567876916.db2.gz BSRJNFDSDMZGLX-DIFFPNOSSA-N 0 1 352.793 4.253 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(Br)cc1 ZINC000430195212 1079864514 /nfs/dbraw/zinc/86/45/14/1079864514.db2.gz NIDWADUHGOQFPW-LLVKDONJSA-N 0 1 365.227 4.217 20 5 FIBDMN CSC[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000430200792 1079916915 /nfs/dbraw/zinc/91/69/15/1079916915.db2.gz XLDGQQWGOGVVHB-CYBMUJFWSA-N 0 1 363.508 4.293 20 5 FIBDMN COc1ccc(C[C@@H]2CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)cc1 ZINC000610215679 1079984661 /nfs/dbraw/zinc/98/46/61/1079984661.db2.gz UVEOKJLQMROOFV-INIZCTEOSA-N 0 1 358.413 4.197 20 5 FIBDMN Cc1cccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC(C)C)c1 ZINC001167199030 1080829467 /nfs/dbraw/zinc/82/94/67/1080829467.db2.gz CYFUDZQPPFTUNO-UHFFFAOYSA-N 0 1 369.465 4.308 20 5 FIBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3C[C@@H]3Cc3ccccc3)cs2)c1 ZINC000610271241 1080988732 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4.400 20 5 FIBDMN Cc1c([C@@H](C)N[C@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000156716771 1082239600 /nfs/dbraw/zinc/23/96/00/1082239600.db2.gz TWEHYHWBPHUPOC-HZPDHXFCSA-N 0 1 367.449 4.442 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000156716235 1082239639 /nfs/dbraw/zinc/23/96/39/1082239639.db2.gz QLGQXYWTPXIJNE-CVEARBPZSA-N 0 1 367.449 4.442 20 5 FIBDMN CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000610505274 1082550004 /nfs/dbraw/zinc/55/00/04/1082550004.db2.gz DYXDLIMFCITRLT-LJQANCHMSA-N 0 1 353.422 4.007 20 5 FIBDMN COc1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000178072487 1082678262 /nfs/dbraw/zinc/67/82/62/1082678262.db2.gz PVBBVMQETIZBED-OAHLLOKOSA-N 0 1 362.813 4.260 20 5 FIBDMN Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)s2)c(C)c1 ZINC000065083273 1083314455 /nfs/dbraw/zinc/31/44/55/1083314455.db2.gz YAABFDNOLSVBRI-UHFFFAOYSA-N 0 1 360.420 4.044 20 5 FIBDMN CCOc1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000179408704 1083453259 /nfs/dbraw/zinc/45/32/59/1083453259.db2.gz YAJHDFDLWWYHBA-CHWSQXEVSA-N 0 1 359.382 4.314 20 5 FIBDMN CCOCCOc1cc(C)ccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167135910 1083623856 /nfs/dbraw/zinc/62/38/56/1083623856.db2.gz VSMYRIKIWHQLKJ-MRXNPFEDSA-N 0 1 358.438 4.169 20 5 FIBDMN CC[C@@H](N[C@@H](Cn1cccn1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610821876 1083748662 /nfs/dbraw/zinc/74/86/62/1083748662.db2.gz HIAKMTUZXDDBKP-UXHICEINSA-N 0 1 350.422 4.274 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](Cn1cccn1)c1ccccc1 ZINC000610821897 1083749575 /nfs/dbraw/zinc/74/95/75/1083749575.db2.gz OIHIBYWYQXAXRP-OXJNMPFZSA-N 0 1 350.422 4.192 20 5 FIBDMN COCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167633209 1083929859 /nfs/dbraw/zinc/92/98/59/1083929859.db2.gz XBJFWZHKHCNTOG-INIZCTEOSA-N 0 1 358.438 4.088 20 5 FIBDMN CC[C@H](N[C@@H](Cc1nc(C)no1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000277209847 1084019741 /nfs/dbraw/zinc/01/97/41/1084019741.db2.gz WLHPYQSAZKZYKN-OALUTQOASA-N 0 1 366.421 4.311 20 5 FIBDMN Cc1ccc([C@H](C)CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000611560904 1084086532 /nfs/dbraw/zinc/08/65/32/1084086532.db2.gz BPRSVKDPBNHIPR-OXQOHEQNSA-N 0 1 364.449 4.119 20 5 FIBDMN C[C@@H]1[C@H](C(=O)[O-])CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000263092201 1084318328 /nfs/dbraw/zinc/31/83/28/1084318328.db2.gz URCIFMKKPWGNFE-TZMCWYRMSA-N 0 1 360.435 4.008 20 5 FIBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000539246704 1084435104 /nfs/dbraw/zinc/43/51/04/1084435104.db2.gz PAELKHMMWBLDRX-SWLSCSKDSA-N 0 1 361.829 4.316 20 5 FIBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000263509796 1084588412 /nfs/dbraw/zinc/58/84/12/1084588412.db2.gz NAYMMWVSYCLQGC-WBAXXEDZSA-N 0 1 370.405 4.073 20 5 FIBDMN CC[C@@H](NCc1ccc(C)nc1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000611591195 1084910176 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364.405 4.023 20 5 FIBDMN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1csc([N+](=O)[O-])c1 ZINC000111040188 1085148520 /nfs/dbraw/zinc/14/85/20/1085148520.db2.gz HZVJVIKSQKFUBR-UHFFFAOYSA-N 0 1 374.441 4.250 20 5 FIBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3c2cccc3Br)c(F)c1 ZINC000479880908 1085328880 /nfs/dbraw/zinc/32/88/80/1085328880.db2.gz ALLNDNXKXNUGAA-MRXNPFEDSA-N 0 1 365.202 4.274 20 5 FIBDMN O=[N+]([O-])c1cccc(OCCSc2nc(C=Cc3ccccc3)n[nH]2)c1 ZINC000107757772 1085421734 /nfs/dbraw/zinc/42/17/34/1085421734.db2.gz IHWBZTMXKWKHIL-MDZDMXLPSA-N 0 1 368.418 4.054 20 5 FIBDMN O=[N+]([O-])c1cccc(OCCSc2nnc(CCC3CCCC3)[nH]2)c1 ZINC000107756692 1085421996 /nfs/dbraw/zinc/42/19/96/1085421996.db2.gz OQDKWBSDIQTNNM-UHFFFAOYSA-N 0 1 362.455 4.007 20 5 FIBDMN O=[N+]([O-])c1cccc(OCCSc2nc(CCC3CCCC3)n[nH]2)c1 ZINC000107756692 1085422002 /nfs/dbraw/zinc/42/20/02/1085422002.db2.gz OQDKWBSDIQTNNM-UHFFFAOYSA-N 0 1 362.455 4.007 20 5 FIBDMN COc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000549535293 1085439621 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LSZDMGLTSNDVAT-UHFFFAOYSA-N 0 1 363.421 4.072 20 5 FIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)[nH]c2c1 ZINC000061234554 1085845596 /nfs/dbraw/zinc/84/55/96/1085845596.db2.gz OJFLZCYWOSOMCD-SFHVURJKSA-N 0 1 364.405 4.065 20 5 FIBDMN O=C(Nc1ccccc1SCC(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000613874893 1086257571 /nfs/dbraw/zinc/25/75/71/1086257571.db2.gz WHSQDPLLPHBBJW-UHFFFAOYSA-N 0 1 372.324 4.207 20 5 FIBDMN COc1ccc(-c2ccncc2)cc1CNCc1cccc([N+](=O)[O-])c1C ZINC000480468062 1087515082 /nfs/dbraw/zinc/51/50/82/1087515082.db2.gz ILKWKEIEXRQWMY-UHFFFAOYSA-N 0 1 363.417 4.264 20 5 FIBDMN COc1cccc(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1 ZINC000102420017 1087695265 /nfs/dbraw/zinc/69/52/65/1087695265.db2.gz FWQAEHYGCLKQMZ-UHFFFAOYSA-N 0 1 368.389 4.162 20 5 FIBDMN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000434240109 1088423494 /nfs/dbraw/zinc/42/34/94/1088423494.db2.gz PQJBDTCOVDRILM-CVEARBPZSA-N 0 1 370.453 4.158 20 5 FIBDMN COc1ccc(Br)cc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178651704 1088657615 /nfs/dbraw/zinc/65/76/15/1088657615.db2.gz DOWFZWSMSGKNOS-NSHDSACASA-N 0 1 365.227 4.217 20 5 FIBDMN CC[C@@H](NCc1ccc(N2CCCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000480701819 1088700463 /nfs/dbraw/zinc/70/04/63/1088700463.db2.gz VOXDLMFVNMLBFV-LJQANCHMSA-N 0 1 354.454 4.221 20 5 FIBDMN CO[C@](C)([C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414500560 1088811692 /nfs/dbraw/zinc/81/16/92/1088811692.db2.gz LXMUNDDJJZFQIR-KPZWWZAWSA-N 0 1 361.467 4.012 20 5 FIBDMN CC(C)[C@H](c1ccc(F)cc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000434622074 1088841353 /nfs/dbraw/zinc/84/13/53/1088841353.db2.gz AFBPQEPBMXXJGH-LJQANCHMSA-N 0 1 356.401 4.439 20 5 FIBDMN COc1cc(OC)cc(C2(F)CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000549118790 1088857543 /nfs/dbraw/zinc/85/75/43/1088857543.db2.gz WSWPFULTNCJIDB-UHFFFAOYSA-N 0 1 374.412 4.073 20 5 FIBDMN CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000434618621 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O=[N+]([O-])c1ccc(CN[C@H]2CCc3c2cccc3Br)c(F)c1 ZINC000479880907 1112176347 /nfs/dbraw/zinc/17/63/47/1112176347.db2.gz ALLNDNXKXNUGAA-INIZCTEOSA-N 0 1 365.202 4.274 20 5 FIBDMN CC(C)(C)c1n[nH]c(SCc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000159540646 1113200628 /nfs/dbraw/zinc/20/06/28/1113200628.db2.gz ATNRAADJYXXHQC-UHFFFAOYSA-N 0 1 360.361 4.322 20 5 FIBDMN CC(C)(C)c1nc(SCc2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC000159540646 1113200632 /nfs/dbraw/zinc/20/06/32/1113200632.db2.gz ATNRAADJYXXHQC-UHFFFAOYSA-N 0 1 360.361 4.322 20 5 FIBDMN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCc2ccc(F)cc21 ZINC000911595583 1114001780 /nfs/dbraw/zinc/00/17/80/1114001780.db2.gz INDKFXCHXAXHQY-LBPRGKRZSA-N 0 1 355.369 4.037 20 5 FIBDMN Cc1cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000490301561 1114265479 /nfs/dbraw/zinc/26/54/79/1114265479.db2.gz POKNYZDEVYNMRN-UHFFFAOYSA-N 0 1 364.283 4.051 20 5 FIBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(OCCc2ccccc2)CC1 ZINC000490388597 1114283751 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353.241 4.196 20 5 FIBDMN CC[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCCO1 ZINC000594517985 1115458316 /nfs/dbraw/zinc/45/83/16/1115458316.db2.gz FPOLYBFCYTYMEI-SJORKVTESA-N 0 1 361.467 4.156 20 5 FIBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000059393767 1115500616 /nfs/dbraw/zinc/50/06/16/1115500616.db2.gz XNLXPHVROCQICL-UHFFFAOYSA-N 0 1 363.820 4.464 20 5 FIBDMN CCCC(=O)Nc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595011383 1115503554 /nfs/dbraw/zinc/50/35/54/1115503554.db2.gz MUKHTVZEXZYGFC-CQSZACIVSA-N 0 1 371.437 4.193 20 5 FIBDMN CO[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000594995783 1115506096 /nfs/dbraw/zinc/50/60/96/1115506096.db2.gz UNGBOOFRHIQTIW-KRWDZBQOSA-N 0 1 361.467 4.013 20 5 FIBDMN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc(OC)c(OC)c1 ZINC000595042415 1115510927 /nfs/dbraw/zinc/51/09/27/1115510927.db2.gz FYNXTNFMEDEVSQ-DYVFJYSZSA-N 0 1 374.437 4.423 20 5 FIBDMN CCC[C@@H](NCc1cccnc1N1CCCC1)c1cccc([N+](=O)[O-])c1 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CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734693 1115810236 /nfs/dbraw/zinc/81/02/36/1115810236.db2.gz DLKCJDTVBWJFNN-ICSRJNTNSA-N 0 1 368.433 4.451 20 5 FIBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2CCc2ccccc2)c1 ZINC000593736724 1115810750 /nfs/dbraw/zinc/81/07/50/1115810750.db2.gz WPEPXKXEASLQLV-IBGZPJMESA-N 0 1 368.433 4.280 20 5 FIBDMN Cc1c(CN(C)Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000603840621 1115818844 /nfs/dbraw/zinc/81/88/44/1115818844.db2.gz NPPYIWNGKMYFAF-UHFFFAOYSA-N 0 1 354.328 4.434 20 5 FIBDMN CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1OC(F)(F)F ZINC000603840894 1115822631 /nfs/dbraw/zinc/82/26/31/1115822631.db2.gz IEZGLHNAFXHCJC-UHFFFAOYSA-N 0 1 370.327 4.004 20 5 FIBDMN CC(C)(NCCOc1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000599533654 1115823695 /nfs/dbraw/zinc/82/36/95/1115823695.db2.gz RMHWIISKKHHZCL-UHFFFAOYSA-N 0 1 357.435 4.108 20 5 FIBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1cccc2ccccc21 ZINC000603892046 1115827013 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FIBDMN CCCNc1ccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000193157107 1120468204 /nfs/dbraw/zinc/46/82/04/1120468204.db2.gz KHZPFOMTXVNMMZ-UHFFFAOYSA-N 0 1 365.380 4.308 20 5 FIBDMN C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000761857152 1120555190 /nfs/dbraw/zinc/55/51/90/1120555190.db2.gz IJDVQPDZUKRYRJ-GHMZBOCLSA-N 0 1 372.812 4.105 20 5 FIBDMN Cc1nn(-c2ccccc2)cc1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193277070 1120649511 /nfs/dbraw/zinc/64/95/11/1120649511.db2.gz LPBXZVWLFBROEO-NRFANRHFSA-N 0 1 362.433 4.256 20 5 FIBDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000171764907 1121188105 /nfs/dbraw/zinc/18/81/05/1121188105.db2.gz VERXZOOAYADXEG-NSHDSACASA-N 0 1 374.828 4.401 20 5 FIBDMN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1Nc1ccc(CO)nc1 ZINC001212387939 1122017679 /nfs/dbraw/zinc/01/76/79/1122017679.db2.gz SYNMHFHTARTBQD-UHFFFAOYSA-N 0 1 358.445 4.393 20 5 FIBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC(CCc2ccc(O)cc2)CC1 ZINC000917092547 1122117645 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1 374.340 4.031 20 5 FIBDMN Cc1cccc([C@H]2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000569386201 568400091 /nfs/dbraw/zinc/40/00/91/568400091.db2.gz WFRQKJITAOBGRX-AEFFLSMTSA-N 0 1 367.449 4.028 20 5 FIBDMN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000182022183 568468079 /nfs/dbraw/zinc/46/80/79/568468079.db2.gz AXQCLWBFYNYVAH-SNVBAGLBSA-N 0 1 368.220 4.191 20 5 FIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c(Cl)c1 ZINC000619722732 1125668021 /nfs/dbraw/zinc/66/80/21/1125668021.db2.gz XFYXHOMCMVMHOK-HNNXBMFYSA-N 0 1 374.872 4.161 20 5 FIBDMN CCOc1cc(CN[C@H](CC)c2ccc(OC)c(OC)c2)ccc1[N+](=O)[O-] ZINC000510242801 1080857093 /nfs/dbraw/zinc/85/70/93/1080857093.db2.gz QEHQUINHTRZOPP-MRXNPFEDSA-N 0 1 374.437 4.252 20 5 FIBDMN Cc1ccc([C@H](C)NCC(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000177851222 1082204412 /nfs/dbraw/zinc/20/44/12/1082204412.db2.gz NVNJNHSCJPNTEZ-ZDUSSCGKSA-N 0 1 361.829 4.154 20 5 FIBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000156703730 1082239798 /nfs/dbraw/zinc/23/97/98/1082239798.db2.gz DOEIDHMYHMVCBO-JKSUJKDBSA-N 0 1 367.449 4.442 20 5 FIBDMN CN(C)c1cccnc1CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000581220940 1082382225 /nfs/dbraw/zinc/38/22/25/1082382225.db2.gz RNEYMVVKMUBAQA-UHFFFAOYSA-N 0 1 368.462 4.074 20 5 FIBDMN COc1cc(Br)ccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000187439846 1082940973 /nfs/dbraw/zinc/94/09/73/1082940973.db2.gz CLPFHIWYCAHXNG-LLVKDONJSA-N 0 1 365.227 4.217 20 5 FIBDMN Cc1c([C@H](C)N[C@@H](Cn2cccn2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610821893 1082964413 /nfs/dbraw/zinc/96/44/13/1082964413.db2.gz NWLYZKIQJHYUEO-LPHOPBHVSA-N 0 1 350.422 4.192 20 5 FIBDMN Cc1ccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)cc1[N+](=O)[O-] ZINC000544960633 1083183898 /nfs/dbraw/zinc/18/38/98/1083183898.db2.gz HADPKYPONFBSOK-UHFFFAOYSA-N 0 1 353.363 4.072 20 5 FIBDMN CCOc1ccc([C@@H](C)NCc2ccc(F)c(COC)c2)cc1[N+](=O)[O-] ZINC000179425547 1083458577 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/nfs/dbraw/zinc/58/87/42/1084588742.db2.gz LSBRMMZFSGWULB-KKXDTOCCSA-N 0 1 370.405 4.073 20 5 FIBDMN CCc1ccc([C@H](NC[C@@H]2C[C@H](C)O[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414255458 1084918744 /nfs/dbraw/zinc/91/87/44/1084918744.db2.gz JPPLDZIMMUXBJF-JZJQHEAOSA-N 0 1 358.438 4.243 20 5 FIBDMN Cc1ccc([C@H]2CCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1C ZINC000511127281 1085017428 /nfs/dbraw/zinc/01/74/28/1085017428.db2.gz UOIOQOCHPLMADW-HXUWFJFHSA-N 0 1 368.433 4.415 20 5 FIBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(c2ccccc2)C1 ZINC001167586224 1085183409 /nfs/dbraw/zinc/18/34/09/1085183409.db2.gz JCXAVPXIZMXJCP-SFHVURJKSA-N 0 1 359.857 4.349 20 5 FIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000128088113 1085393065 /nfs/dbraw/zinc/39/30/65/1085393065.db2.gz BHZNGYLJHWTZNE-SFHVURJKSA-N 0 1 364.405 4.065 20 5 FIBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 ZINC000181758916 1085399110 /nfs/dbraw/zinc/39/91/10/1085399110.db2.gz 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1088435436 /nfs/dbraw/zinc/43/54/36/1088435436.db2.gz VDGYUVLMMIMHEH-INIZCTEOSA-N 0 1 372.469 4.233 20 5 FIBDMN COc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1Br ZINC000177856754 1088444467 /nfs/dbraw/zinc/44/44/67/1088444467.db2.gz HDZMQCWXQDXPAC-NSHDSACASA-N 0 1 365.227 4.217 20 5 FIBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000377491960 1089437300 /nfs/dbraw/zinc/43/73/00/1089437300.db2.gz UJIMXHDIKDINCK-UHFFFAOYSA-N 0 1 365.393 4.064 20 5 FIBDMN O=[N+]([O-])c1cccc(CN(C[C@@H]2CC[C@@H](c3ccccc3)O2)C2CC2)c1 ZINC001167733822 1090265639 /nfs/dbraw/zinc/26/56/39/1090265639.db2.gz DPRXKLRFLYDXOI-SFTDATJTSA-N 0 1 352.434 4.480 20 5 FIBDMN Cc1ccc2nc(CN[C@H]3CCCCc4ccc([N+](=O)[O-])cc43)[nH]c2c1 ZINC000417317579 1090799084 /nfs/dbraw/zinc/79/90/84/1090799084.db2.gz WYSAUGHNBHDGPV-KRWDZBQOSA-N 0 1 350.422 4.337 20 5 FIBDMN COCCOc1ccccc1CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309554 1090803495 /nfs/dbraw/zinc/80/34/95/1090803495.db2.gz FBYJGLPOYQKLMR-HXUWFJFHSA-N 0 1 370.449 4.177 20 5 FIBDMN Cc1ccc([C@@H]2CCCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000500118614 1091049521 /nfs/dbraw/zinc/04/95/21/1091049521.db2.gz ZEGUGGQMJJIKPU-SFHVURJKSA-N 0 1 364.405 4.147 20 5 FIBDMN C[C@H](c1ccsc1)N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432133602 1091717823 /nfs/dbraw/zinc/71/78/23/1091717823.db2.gz NWMXDYZGHVNZQC-CQSZACIVSA-N 0 1 368.462 4.088 20 5 FIBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 ZINC000432527185 1091858054 /nfs/dbraw/zinc/85/80/54/1091858054.db2.gz PWLNMXNZSDMFNK-UHFFFAOYSA-N 0 1 364.357 4.369 20 5 FIBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)c1 ZINC000572688800 1092533993 /nfs/dbraw/zinc/53/39/93/1092533993.db2.gz AWUGWCAWHDOHLI-UXHICEINSA-N 0 1 368.433 4.388 20 5 FIBDMN Cc1cc(N2CC[C@H](n3ncc4ccccc43)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543978346 1092865554 /nfs/dbraw/zinc/86/55/54/1092865554.db2.gz KKARGYWZEANKKI-KRWDZBQOSA-N 0 1 373.416 4.253 20 5 FIBDMN 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RUROFQUICVIZLN-SNVBAGLBSA-N 0 1 364.327 4.341 20 5 FIBDMN CN(C)Cc1ccnc(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000482351022 1113229460 /nfs/dbraw/zinc/22/94/60/1113229460.db2.gz LROQAALSKSPIDE-UHFFFAOYSA-N 0 1 356.429 4.097 20 5 FIBDMN CCCCNC(=O)c1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000160104507 1113297862 /nfs/dbraw/zinc/29/78/62/1113297862.db2.gz FXIDUBDLJBMXMU-MRXNPFEDSA-N 0 1 369.465 4.284 20 5 FIBDMN Cc1cccc(CC2(O)CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000482931133 1113402234 /nfs/dbraw/zinc/40/22/34/1113402234.db2.gz WMEGPIKOXVFWNB-QGZVFWFLSA-N 0 1 354.450 4.034 20 5 FIBDMN COC[C@@H](N=c1ccc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 ZINC000486007379 1113487875 /nfs/dbraw/zinc/48/78/75/1113487875.db2.gz SKWPOLMZKWLCAB-QGZVFWFLSA-N 0 1 357.797 4.018 20 5 FIBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000486791689 1113646288 /nfs/dbraw/zinc/64/62/88/1113646288.db2.gz OXMCMWLHVGTBAC-BDAKNGLRSA-N 0 1 368.235 4.162 20 5 FIBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000486791692 1113646572 /nfs/dbraw/zinc/64/65/72/1113646572.db2.gz OXMCMWLHVGTBAC-RKDXNWHRSA-N 0 1 368.235 4.162 20 5 FIBDMN COc1cc(CN2CCC[C@H]2c2cccc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000490083615 1114216335 /nfs/dbraw/zinc/21/63/35/1114216335.db2.gz BDYCKLKVDCEEFC-SFHVURJKSA-N 0 1 355.438 4.007 20 5 FIBDMN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491194951 1114379859 /nfs/dbraw/zinc/37/98/59/1114379859.db2.gz RKNOUINAQBZOGO-UHFFFAOYSA-N 0 1 368.412 4.189 20 5 FIBDMN C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H]2CCCC[C@@H]12 ZINC001168400988 1115107594 /nfs/dbraw/zinc/10/75/94/1115107594.db2.gz GMKAWOOGORHIOG-XBFCOCLRSA-N 0 1 353.260 4.368 20 5 FIBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)c(Cl)c1 ZINC000592177079 1115216440 /nfs/dbraw/zinc/21/64/40/1115216440.db2.gz JBASQTSEACJKCP-IBGZPJMESA-N 0 1 372.852 4.408 20 5 FIBDMN CC(C)CCSc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000592357100 1115281118 /nfs/dbraw/zinc/28/11/18/1115281118.db2.gz PLJJSFFNZAYTMI-ZDUSSCGKSA-N 0 1 362.455 4.208 20 5 FIBDMN Cc1ccc([C@H](C)NCc2cnn(-c3ccccc3C)c2)cc1[N+](=O)[O-] ZINC000592365371 1115283128 /nfs/dbraw/zinc/28/31/28/1115283128.db2.gz QNPMWFXJBYAKQU-INIZCTEOSA-N 0 1 350.422 4.248 20 5 FIBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000593076380 1115299474 /nfs/dbraw/zinc/29/94/74/1115299474.db2.gz AQUIYARPYGOWDD-QWQRMKEZSA-N 0 1 370.453 4.117 20 5 FIBDMN O=[N+]([O-])c1cccc(OCCN(Cc2ccco2)Cc2ccccc2)c1 ZINC000058933394 1115355452 /nfs/dbraw/zinc/35/54/52/1115355452.db2.gz VKUOKPJOMNZYNO-UHFFFAOYSA-N 0 1 352.390 4.269 20 5 FIBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000595358221 1115533965 /nfs/dbraw/zinc/53/39/65/1115533965.db2.gz SHJFQONFZUDMEI-CQSZACIVSA-N 0 1 355.369 4.255 20 5 FIBDMN Cc1noc(CN[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595489463 1115536892 /nfs/dbraw/zinc/53/68/92/1115536892.db2.gz AWJOIAZYGQOVIC-KBPBESRZSA-N 0 1 369.343 4.336 20 5 FIBDMN COc1ccc(CNC2(c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000593111726 1115558104 /nfs/dbraw/zinc/55/81/04/1115558104.db2.gz LODVKGPHLHFVKM-UHFFFAOYSA-N 0 1 366.339 4.401 20 5 FIBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H](CCCO)c1ccccc1 ZINC000602551946 1115710868 /nfs/dbraw/zinc/71/08/68/1115710868.db2.gz LXJRYSMNVOEGPP-INIZCTEOSA-N 0 1 368.355 4.217 20 5 FIBDMN COc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 ZINC000598954382 1115772937 /nfs/dbraw/zinc/77/29/37/1115772937.db2.gz DEKUAEZSMQTRGJ-NSHDSACASA-N 0 1 354.328 4.473 20 5 FIBDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2C)cc(C(F)(F)F)c1 ZINC000598978421 1115774782 /nfs/dbraw/zinc/77/47/82/1115774782.db2.gz TWEHQLACMJVSCX-UHFFFAOYSA-N 0 1 354.328 4.220 20 5 FIBDMN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000593704201 1115800472 /nfs/dbraw/zinc/80/04/72/1115800472.db2.gz ASQYXFHIEKCGMP-SUMWQHHRSA-N 0 1 374.437 4.423 20 5 FIBDMN Cc1cc(C)cc(C2=CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000593745152 1115812080 /nfs/dbraw/zinc/81/20/80/1115812080.db2.gz ZYTGANGXHFBGCH-UHFFFAOYSA-N 0 1 366.417 4.199 20 5 FIBDMN Cc1c(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000603843213 1115820451 /nfs/dbraw/zinc/82/04/51/1115820451.db2.gz GFTGCUNRAUNKMX-GOSISDBHSA-N 0 1 354.406 4.012 20 5 FIBDMN O=[N+]([O-])c1ccc(F)cc1CNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000172149556 1115920789 /nfs/dbraw/zinc/92/07/89/1115920789.db2.gz WRFNXYUEUPTPIA-UHFFFAOYSA-N 0 1 372.396 4.064 20 5 FIBDMN CC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000540324140 1117992158 /nfs/dbraw/zinc/99/21/58/1117992158.db2.gz INTMPFUIRZAJNX-HNNXBMFYSA-N 0 1 361.829 4.236 20 5 FIBDMN CCOc1ccccc1[C@H](CC)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000540353491 1117998947 /nfs/dbraw/zinc/99/89/47/1117998947.db2.gz DLIGMUMLXAFGCI-KSSFIOAISA-N 0 1 371.437 4.061 20 5 FIBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000540365876 1118016837 /nfs/dbraw/zinc/01/68/37/1118016837.db2.gz KGXHGMBIMRBVED-KRWDZBQOSA-N 0 1 370.840 4.055 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)c1cccc(Cl)c1 ZINC000540411982 1118039311 /nfs/dbraw/zinc/03/93/11/1118039311.db2.gz WKKVCELKHDBMMO-UHFFFAOYSA-N 0 1 361.829 4.020 20 5 FIBDMN CCC[C@@H](NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000540476994 1118078609 /nfs/dbraw/zinc/07/86/09/1118078609.db2.gz GUGPUYXIJUXFQF-VQIMIIECSA-N 0 1 369.465 4.211 20 5 FIBDMN CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2C1 ZINC000076171374 1118133970 /nfs/dbraw/zinc/13/39/70/1118133970.db2.gz QYDBHELHUTWVMW-UHFFFAOYSA-N 0 1 353.422 4.209 20 5 FIBDMN CC(C)CCN1Cc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2C1 ZINC000076171374 1118133974 /nfs/dbraw/zinc/13/39/74/1118133974.db2.gz QYDBHELHUTWVMW-UHFFFAOYSA-N 0 1 353.422 4.209 20 5 FIBDMN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000541660319 1118599981 /nfs/dbraw/zinc/59/99/81/1118599981.db2.gz JGAYSNJJQHWTRA-CQSZACIVSA-N 0 1 369.446 4.448 20 5 FIBDMN CCOc1cc(CN(Cc2ccc(OC)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000492378260 1119079736 /nfs/dbraw/zinc/07/97/36/1119079736.db2.gz RWLUOAOEOYRWDQ-UHFFFAOYSA-N 0 1 356.422 4.167 20 5 FIBDMN CC(C)(C)OC(=O)CCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493225609 1119352322 /nfs/dbraw/zinc/35/23/22/1119352322.db2.gz GQNGUJQJZATJME-HXUWFJFHSA-N 0 1 370.449 4.396 20 5 FIBDMN Cc1cccc(NCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000493989536 1119519885 /nfs/dbraw/zinc/51/98/85/1119519885.db2.gz LGPXTXPFGHFBFK-NRFANRHFSA-N 0 1 362.433 4.089 20 5 FIBDMN CCc1ccc([C@H](NC[C@](C)(O)[C@H](C)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542474532 1119555044 /nfs/dbraw/zinc/55/50/44/1119555044.db2.gz HDMPLMFHQWBJRH-XMCHAPAWSA-N 0 1 360.454 4.226 20 5 FIBDMN Cc1cc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)cc([N+](=O)[O-])c1 ZINC000494443515 1119863040 /nfs/dbraw/zinc/86/30/40/1119863040.db2.gz VBCWRQNNDBFJFK-UHFFFAOYSA-N 0 1 353.422 4.127 20 5 FIBDMN COc1ccc2c(c1)[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC2 ZINC000494471272 1119872802 /nfs/dbraw/zinc/87/28/02/1119872802.db2.gz MCVDCQKKJMJRNB-QGZVFWFLSA-N 0 1 366.339 4.399 20 5 FIBDMN O=[N+]([O-])c1cccc(CCN[C@@H](c2ccc(F)cc2)c2ccccn2)c1 ZINC000542494230 1120064459 /nfs/dbraw/zinc/06/44/59/1120064459.db2.gz ICPLUWZEZDKQEZ-FQEVSTJZSA-N 0 1 351.381 4.051 20 5 FIBDMN Cc1cc(NC[C@H](O)c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2n1 ZINC000302199727 1120407523 /nfs/dbraw/zinc/40/75/23/1120407523.db2.gz URBMYGAUSAUMAZ-SFHVURJKSA-N 0 1 357.797 4.250 20 5 FIBDMN O=[N+]([O-])c1ccc(F)cc1CN(Cc1ccccc1)CC1(O)CCCC1 ZINC000761968919 1120607972 /nfs/dbraw/zinc/60/79/72/1120607972.db2.gz CYAJJMUROFQCNW-UHFFFAOYSA-N 0 1 358.413 4.041 20 5 FIBDMN C[C@H]1C[C@H]1CN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000915634967 1121012385 /nfs/dbraw/zinc/01/23/85/1121012385.db2.gz QAVCOHOOLYNRLD-YOEHRIQHSA-N 0 1 355.394 4.161 20 5 FIBDMN O=[N+]([O-])c1ccc(F)cc1CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000915795702 1121061224 /nfs/dbraw/zinc/06/12/24/1121061224.db2.gz VKIZQLYXLSVWKR-TWGQIWQCSA-N 0 1 356.382 4.315 20 5 FIBDMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000171764900 1121188233 /nfs/dbraw/zinc/18/82/33/1121188233.db2.gz VERXZOOAYADXEG-LLVKDONJSA-N 0 1 374.828 4.401 20 5 FIBDMN CCOc1ccc([C@@H](C)NCc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000153544335 1122124002 /nfs/dbraw/zinc/12/40/02/1122124002.db2.gz MINCFXMVMOBAGO-CQSZACIVSA-N 0 1 372.421 4.006 20 5 FIBDMN CC(=O)c1ccc(NC[C@H](c2ccc(Cl)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000301485319 1122168492 /nfs/dbraw/zinc/16/84/92/1122168492.db2.gz WKMAHGHUWYDRII-GOSISDBHSA-N 0 1 361.829 4.166 20 5 FIBDMN Cc1cccc2nc(CNc3ccc([N+](=O)[O-])cc3Br)[nH]c21 ZINC000497535520 1122275053 /nfs/dbraw/zinc/27/50/53/1122275053.db2.gz VFEORACFLREWKP-UHFFFAOYSA-N 0 1 361.199 4.154 20 5 FIBDMN CC(C)(C)[C@@H](NCn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000917433066 1122312151 /nfs/dbraw/zinc/31/21/51/1122312151.db2.gz VGVNEIMEXDDWJP-SFHVURJKSA-N 0 1 365.437 4.188 20 5 FIBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc4ccccc4c4cccnc34)n2)o1 ZINC000497735896 1122379789 /nfs/dbraw/zinc/37/97/89/1122379789.db2.gz PNQLQOIXLJSHRI-UHFFFAOYSA-N 0 1 369.384 4.327 20 5 FIBDMN C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000763443941 1123153193 /nfs/dbraw/zinc/15/31/93/1123153193.db2.gz HCLFAMGJGJJMGS-SNVBAGLBSA-N 0 1 356.300 4.050 20 5 FIBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000237832623 1124117384 /nfs/dbraw/zinc/11/73/84/1124117384.db2.gz VXXGUVVJZLFHII-IBGZPJMESA-N 0 1 374.824 4.260 20 5 FIBDMN Cc1c(CNCc2cnn(Cc3ccccc3Cl)c2)cccc1[N+](=O)[O-] ZINC000616483595 1124320199 /nfs/dbraw/zinc/32/01/99/1124320199.db2.gz NKJMACNJJFXKTE-UHFFFAOYSA-N 0 1 370.840 4.091 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(C)(C)[C@H]1c1cccs1 ZINC000554311442 1124326489 /nfs/dbraw/zinc/32/64/89/1124326489.db2.gz ZXRCIOUFDFNNGN-GOSISDBHSA-N 0 1 373.478 4.376 20 5 FIBDMN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000542820451 1124390919 /nfs/dbraw/zinc/39/09/19/1124390919.db2.gz ZLENPFJIWVCIMF-GDBMZVCRSA-N 0 1 374.412 4.119 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489005477 1125056373 /nfs/dbraw/zinc/05/63/73/1125056373.db2.gz QEOZCDAWNYDGBM-GOEBONIOSA-N 0 1 359.401 4.042 20 5 FIBDMN Cc1ccc([C@@H](C)NCc2cccc(C(=O)NCC(C)C)c2)cc1[N+](=O)[O-] ZINC000181813358 1125143718 /nfs/dbraw/zinc/14/37/18/1125143718.db2.gz YXMBEHISBCLAAT-MRXNPFEDSA-N 0 1 369.465 4.140 20 5 FIBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000181816849 1125143911 /nfs/dbraw/zinc/14/39/11/1125143911.db2.gz JOPKENSFALDMQP-HNNXBMFYSA-N 0 1 355.438 4.316 20 5 FIBDMN O=[N+]([O-])c1ccc2[nH]c(CSc3nc4ccc(Cl)cc4[nH]3)nc2c1 ZINC000045918794 210189700 /nfs/dbraw/zinc/18/97/00/210189700.db2.gz XSTYSUHWXUIKCQ-UHFFFAOYSA-N 0 1 359.798 4.293 20 5 FIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000481388967 567876579 /nfs/dbraw/zinc/87/65/79/567876579.db2.gz 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CC(C)(C)Oc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000447589267 1109588654 /nfs/dbraw/zinc/58/86/54/1109588654.db2.gz XHYYTYGMRXYTBR-SFHVURJKSA-N 0 1 355.438 4.334 20 5 FIBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000526061807 1109613651 /nfs/dbraw/zinc/61/36/51/1109613651.db2.gz VAHHCICZIBFZMZ-QFSNBGPKSA-N 0 1 372.387 4.023 20 5 FIBDMN COc1cc(F)cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000449290653 1110023814 /nfs/dbraw/zinc/02/38/14/1110023814.db2.gz YGAPPMYGLLNDQT-UHFFFAOYSA-N 0 1 358.291 4.051 20 5 FIBDMN COC[C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000538731046 1111268260 /nfs/dbraw/zinc/26/82/60/1111268260.db2.gz RBFNADOEHQIYBL-MRXNPFEDSA-N 0 1 374.412 4.385 20 5 FIBDMN O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)n[nH]2)cc1OC(F)F ZINC000538895918 1111334695 /nfs/dbraw/zinc/33/46/95/1111334695.db2.gz RFDZNHCGILRBTH-UHFFFAOYSA-N 0 1 364.333 4.133 20 5 FIBDMN Cc1c([C@@H](C)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000539069918 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GNACINAALFCAIT-UHFFFAOYSA-N 0 1 363.417 4.167 20 5 FIBDMN Cc1ccc([C@H](C)NCc2ccc(N3CCCCC3)nc2)cc1[N+](=O)[O-] ZINC000480744212 1112583034 /nfs/dbraw/zinc/58/30/34/1112583034.db2.gz XQXPYCSBKDPVPT-INIZCTEOSA-N 0 1 354.454 4.139 20 5 FIBDMN COc1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1O ZINC000171052611 1113307511 /nfs/dbraw/zinc/30/75/11/1113307511.db2.gz MNMADGMSOTXJCQ-UHFFFAOYSA-N 0 1 370.430 4.327 20 5 FIBDMN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482700414 1113335351 /nfs/dbraw/zinc/33/53/51/1113335351.db2.gz XJYJOBPYWXMSAJ-LBPRGKRZSA-N 0 1 358.829 4.188 20 5 FIBDMN CC(C)(C)[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000482712577 1113338927 /nfs/dbraw/zinc/33/89/27/1113338927.db2.gz WCTRYFBMTWRGJM-GOSISDBHSA-N 0 1 356.401 4.487 20 5 FIBDMN CC(C)N(C)c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000483182198 1113459021 /nfs/dbraw/zinc/45/90/21/1113459021.db2.gz XZFCISVRSUZJPF-UHFFFAOYSA-N 0 1 356.470 4.245 20 5 FIBDMN CC[C@H](C)c1nc([C@@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n[nH]1 ZINC000486671602 1113615789 /nfs/dbraw/zinc/61/57/89/1113615789.db2.gz AGAVFQWEPZUKIA-QWHCGFSZSA-N 0 1 369.425 4.337 20 5 FIBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000486792104 1113646509 /nfs/dbraw/zinc/64/65/09/1113646509.db2.gz QXPGKTIJGBFPDZ-BDAKNGLRSA-N 0 1 357.336 4.418 20 5 FIBDMN CCCCCC(=O)NC1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000489129737 1114056199 /nfs/dbraw/zinc/05/61/99/1114056199.db2.gz QWYCKXGVKULHGD-INIZCTEOSA-N 0 1 361.486 4.125 20 5 FIBDMN CCCCCC(=O)NC1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000489129738 1114056278 /nfs/dbraw/zinc/05/62/78/1114056278.db2.gz QWYCKXGVKULHGD-MRXNPFEDSA-N 0 1 361.486 4.125 20 5 FIBDMN COc1cc(CN2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000491095630 1114373129 /nfs/dbraw/zinc/37/31/29/1114373129.db2.gz ZUODJRRRWWCVLY-OCCSQVGLSA-N 0 1 370.396 4.012 20 5 FIBDMN CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 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COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(OC(F)(F)F)cc1 ZINC000595005400 1115507158 /nfs/dbraw/zinc/50/71/58/1115507158.db2.gz YSTJRNHEMDINFD-NSHDSACASA-N 0 1 370.327 4.353 20 5 FIBDMN COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041146 1115510892 /nfs/dbraw/zinc/51/08/92/1115510892.db2.gz YSDPAVRWAUGQBP-PIGZYNQJSA-N 0 1 360.385 4.089 20 5 FIBDMN CC(C)([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000575132050 1115543706 /nfs/dbraw/zinc/54/37/06/1115543706.db2.gz CRAVCVROHJNGKJ-UHFFFAOYSA-N 0 1 370.327 4.224 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]([C@@H]4CCCCO4)C3)co2)cc1 ZINC000595786908 1115563323 /nfs/dbraw/zinc/56/33/23/1115563323.db2.gz IXLWUKGFTZCFHL-LPHOPBHVSA-N 0 1 371.437 4.031 20 5 FIBDMN COc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC1CC1 ZINC000598963702 1115771820 /nfs/dbraw/zinc/77/18/20/1115771820.db2.gz BGPMOKKSKFQOGS-CQSZACIVSA-N 0 1 356.422 4.304 20 5 FIBDMN COc1ccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)cc1[N+](=O)[O-] ZINC000599035998 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ZFZVVVDMMAXNEH-UHFFFAOYSA-N 0 1 353.422 4.209 20 5 FIBDMN CCOc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000152768500 1116323874 /nfs/dbraw/zinc/32/38/74/1116323874.db2.gz CJQGAZFZFJBVLE-STQMWFEESA-N 0 1 358.394 4.134 20 5 FIBDMN C[C@H](Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000540789394 1118248162 /nfs/dbraw/zinc/24/81/62/1118248162.db2.gz PMIJMPCSZBSSJT-ZACQAIPSSA-N 0 1 369.465 4.377 20 5 FIBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(Cl)c1O ZINC000541455307 1118523292 /nfs/dbraw/zinc/52/32/92/1118523292.db2.gz FOILJJINJDCIKE-UHFFFAOYSA-N 0 1 373.217 4.338 20 5 FIBDMN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC(F)F)cc1 ZINC000122440530 1118525684 /nfs/dbraw/zinc/52/56/84/1118525684.db2.gz YCAYCSDWWUPDKN-MRXNPFEDSA-N 0 1 366.364 4.446 20 5 FIBDMN COc1ccc([C@H](OC)[C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000541555808 1118561624 /nfs/dbraw/zinc/56/16/24/1118561624.db2.gz NNRDBWMOXYQDJU-KZULUSFZSA-N 0 1 364.829 4.123 20 5 FIBDMN 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VKKCPWZZYYFRJK-NXEZZACHSA-N 0 1 359.373 4.352 20 5 FIBDMN O=[N+]([O-])c1cccc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000449367962 1110045151 /nfs/dbraw/zinc/04/51/51/1110045151.db2.gz ALIUYSPSIWMJSN-UHFFFAOYSA-N 0 1 352.312 4.272 20 5 FIBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCCC3(F)F)cs2)c1 ZINC000449491326 1110092010 /nfs/dbraw/zinc/09/20/10/1110092010.db2.gz GJUSBUHYKSCVDG-LBPRGKRZSA-N 0 1 353.394 4.243 20 5 FIBDMN CCOc1ccc([C@H](C)NC2(c3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] ZINC000538524251 1111171275 /nfs/dbraw/zinc/17/12/75/1111171275.db2.gz JWQCDLDFCSESCF-AWEZNQCLSA-N 0 1 356.422 4.342 20 5 FIBDMN CCOc1ccc([C@@H](C)NC2(c3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] ZINC000538524252 1111171468 /nfs/dbraw/zinc/17/14/68/1111171468.db2.gz JWQCDLDFCSESCF-CQSZACIVSA-N 0 1 356.422 4.342 20 5 FIBDMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000538727237 1111265066 /nfs/dbraw/zinc/26/50/66/1111265066.db2.gz BOIOMEAJFAEFDL-WMLDXEAASA-N 0 1 374.412 4.262 20 5 FIBDMN CS[C@@H]1CCCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538799859 1111297151 /nfs/dbraw/zinc/29/71/51/1111297151.db2.gz ZLHULVVTEUPUCT-MRXNPFEDSA-N 0 1 363.508 4.436 20 5 FIBDMN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000539069180 1111417569 /nfs/dbraw/zinc/41/75/69/1111417569.db2.gz QZNAXIRPFOYZNR-AWEZNQCLSA-N 0 1 369.446 4.448 20 5 FIBDMN COc1ccc(N(CCC(C)C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000477930854 1111605780 /nfs/dbraw/zinc/60/57/80/1111605780.db2.gz LZPMBRCZTURIQU-UHFFFAOYSA-N 0 1 358.394 4.002 20 5 FIBDMN CCC(=O)c1ccc(NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000479860806 1112165627 /nfs/dbraw/zinc/16/56/27/1112165627.db2.gz GPUVFKLTQJFGPP-KRWDZBQOSA-N 0 1 373.478 4.498 20 5 FIBDMN CCC(=O)c1ccc(NC[C@@H](c2ccco2)N(CC)CC)c([N+](=O)[O-])c1 ZINC000479965501 1112216835 /nfs/dbraw/zinc/21/68/35/1112216835.db2.gz WVIROHFMDKCHRX-KRWDZBQOSA-N 0 1 359.426 4.276 20 5 FIBDMN Cc1ccccc1[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC001126880711 1112377369 /nfs/dbraw/zinc/37/73/69/1112377369.db2.gz CJQSJVQMUHGXIR-SFHVURJKSA-N 0 1 366.421 4.297 20 5 FIBDMN COc1cc(OC)cc(C2(F)CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000555125409 1112689127 /nfs/dbraw/zinc/68/91/27/1112689127.db2.gz IBNNXJMBWFNECW-UHFFFAOYSA-N 0 1 374.412 4.073 20 5 FIBDMN O=C(N[C@@H](c1cccc(Cl)c1)C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000490546696 1114299028 /nfs/dbraw/zinc/29/90/28/1114299028.db2.gz RKYKAADJOXNGON-OAHLLOKOSA-N 0 1 362.817 4.023 20 5 FIBDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000586834439 1114399703 /nfs/dbraw/zinc/39/97/03/1114399703.db2.gz LZQKISIAXISXPG-UHFFFAOYSA-N 0 1 370.331 4.195 20 5 FIBDMN CC(C)Oc1cccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000056157029 1114615898 /nfs/dbraw/zinc/61/58/98/1114615898.db2.gz DTYSBUCJYRWLQL-LSDHHAIUSA-N 0 1 371.437 4.060 20 5 FIBDMN CCc1ccc([C@H](C)NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196493 1114658334 /nfs/dbraw/zinc/65/83/34/1114658334.db2.gz HGBCLLSSYJVBIM-JYJNAYRXSA-N 0 1 369.465 4.074 20 5 FIBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000590170154 1114907284 /nfs/dbraw/zinc/90/72/84/1114907284.db2.gz AZPZYVKIFGTACT-UONOGXRCSA-N 0 1 372.387 4.252 20 5 FIBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000590170151 1114907378 /nfs/dbraw/zinc/90/73/78/1114907378.db2.gz AZPZYVKIFGTACT-KBPBESRZSA-N 0 1 372.387 4.252 20 5 FIBDMN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Br)cn1 ZINC000573386028 1115104030 /nfs/dbraw/zinc/10/40/30/1115104030.db2.gz QIDRAAJONXJIBL-BMIGLBTASA-N 0 1 362.227 4.090 20 5 FIBDMN CC(C)CC1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000760921768 1115200177 /nfs/dbraw/zinc/20/01/77/1115200177.db2.gz SFUSEURSNBIVCI-AWEZNQCLSA-N 0 1 358.442 4.464 20 5 FIBDMN Cc1ccc(-c2nn(C)cc2CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000592497730 1115329655 /nfs/dbraw/zinc/32/96/55/1115329655.db2.gz AGGVXXQDHDILGQ-UHFFFAOYSA-N 0 1 366.421 4.061 20 5 FIBDMN CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc2c(c1)OCCO2 ZINC000595018090 1115503911 /nfs/dbraw/zinc/50/39/11/1115503911.db2.gz PVDBLQFZGPNQRP-SUMWQHHRSA-N 0 1 372.421 4.177 20 5 FIBDMN COc1cc(C)c([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000595005628 1115507204 /nfs/dbraw/zinc/50/72/04/1115507204.db2.gz BTVFNDWTLCJALT-UONOGXRCSA-N 0 1 374.437 4.341 20 5 FIBDMN CCOc1ccc([C@H](C)N[C@@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595095287 1115518101 /nfs/dbraw/zinc/51/81/01/1115518101.db2.gz IAKIVKVHCYQSQQ-ONGXBYRLSA-N 0 1 372.465 4.402 20 5 FIBDMN Cc1noc(CN2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000595484956 1115536853 /nfs/dbraw/zinc/53/68/53/1115536853.db2.gz PUCPHTSGMIBJNP-ZDUSSCGKSA-N 0 1 369.343 4.290 20 5 FIBDMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000595519360 1115540234 /nfs/dbraw/zinc/54/02/34/1115540234.db2.gz XHNYXVKBRZFNIU-VIFPVBQESA-N 0 1 350.831 4.379 20 5 FIBDMN Cc1cc(N2CCC([C@@H]3CCCCO3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596497444 1115597315 /nfs/dbraw/zinc/59/73/15/1115597315.db2.gz SNNBOXKAPOTIIE-FQEVSTJZSA-N 0 1 355.438 4.237 20 5 FIBDMN CCO[C@H](C)c1nc(CSCc2cc(O)ccc2[N+](=O)[O-])cs1 ZINC000593189254 1115598314 /nfs/dbraw/zinc/59/83/14/1115598314.db2.gz ZETOBQOLKRPOCN-SNVBAGLBSA-N 0 1 354.453 4.288 20 5 FIBDMN COCC1(C2CCC2)CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597190269 1115645678 /nfs/dbraw/zinc/64/56/78/1115645678.db2.gz AOPTUYZTOBNFRU-UHFFFAOYSA-N 0 1 356.422 4.103 20 5 FIBDMN COc1cc(CN[C@H]2CCCc3ccc(Cl)cc32)c([N+](=O)[O-])cc1O ZINC000599006818 1115776420 /nfs/dbraw/zinc/77/64/20/1115776420.db2.gz JUUKJIWKECEJBI-HNNXBMFYSA-N 0 1 362.813 4.130 20 5 FIBDMN CCCCN(Cc1ccccc1F)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000603574994 1115793698 /nfs/dbraw/zinc/79/36/98/1115793698.db2.gz LUMJNOZTYWYBEZ-UHFFFAOYSA-N 0 1 370.384 4.053 20 5 FIBDMN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000593704200 1115800617 /nfs/dbraw/zinc/80/06/17/1115800617.db2.gz ASQYXFHIEKCGMP-GUYCJALGSA-N 0 1 374.437 4.423 20 5 FIBDMN CC[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC000593708103 1115801657 /nfs/dbraw/zinc/80/16/57/1115801657.db2.gz HNKZREACCFXVHH-XJKSGUPXSA-N 0 1 374.437 4.423 20 5 FIBDMN CC[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000593744329 1115812215 /nfs/dbraw/zinc/81/22/15/1115812215.db2.gz PVOMZHSINZQBES-BEFAXECRSA-N 0 1 368.433 4.309 20 5 FIBDMN COc1ccc(CN(C)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000603838839 1115818277 /nfs/dbraw/zinc/81/82/77/1115818277.db2.gz OLMHLGDMGCFWMR-UHFFFAOYSA-N 0 1 354.328 4.254 20 5 FIBDMN O=[N+]([O-])c1ccccc1CN1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000599506591 1115820514 /nfs/dbraw/zinc/82/05/14/1115820514.db2.gz NNQIKNAWNFYXQH-UHFFFAOYSA-N 0 1 370.453 4.090 20 5 FIBDMN COc1ccc(CN(C)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000603840930 1115822565 /nfs/dbraw/zinc/82/25/65/1115822565.db2.gz OHPWLLGGLABOJK-UHFFFAOYSA-N 0 1 354.328 4.254 20 5 FIBDMN CN1Cc2ccccc2[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000534531108 1116210901 /nfs/dbraw/zinc/21/09/01/1116210901.db2.gz MYHPVLBSTHHHLQ-FQEVSTJZSA-N 0 1 363.417 4.131 20 5 FIBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825535 1116309008 /nfs/dbraw/zinc/30/90/08/1116309008.db2.gz GMZCHTMWTQYOSX-CQSZACIVSA-N 0 1 367.405 4.124 20 5 FIBDMN CCS[C@H]1CC[C@@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907091 1116347044 /nfs/dbraw/zinc/34/70/44/1116347044.db2.gz LJQPJTWXTPTORL-SJORKVTESA-N 0 1 361.467 4.356 20 5 FIBDMN COc1ccccc1/C=C\CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000539834864 1116388772 /nfs/dbraw/zinc/38/87/72/1116388772.db2.gz QQGASPKWJGFNJC-XQRVVYSFSA-N 0 1 368.433 4.160 20 5 FIBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]1Cn1cnc2ccccc21 ZINC000539884934 1116396848 /nfs/dbraw/zinc/39/68/48/1116396848.db2.gz BWICYNGBBQITLB-INIZCTEOSA-N 0 1 370.840 4.263 20 5 FIBDMN Cn1ncc(C2CCC2)c1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000595099131 1117745850 /nfs/dbraw/zinc/74/58/50/1117745850.db2.gz ROHUFQCGOLFPDL-SFHVURJKSA-N 0 1 354.454 4.108 20 5 FIBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000462826989 1117798465 /nfs/dbraw/zinc/79/84/65/1117798465.db2.gz RWCWCBLQUURQSN-DHDCSXOGSA-N 0 1 350.418 4.251 20 5 FIBDMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000462929928 1117865195 /nfs/dbraw/zinc/86/51/95/1117865195.db2.gz YNBWIUXNGUOGKV-CQSZACIVSA-N 0 1 370.405 4.101 20 5 FIBDMN C[C@@H](c1ccsc1)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000463063463 1117947877 /nfs/dbraw/zinc/94/78/77/1117947877.db2.gz VBGQRCRSNKVNTC-LEXSJLIMSA-N 0 1 357.479 4.048 20 5 FIBDMN CC(C)c1ccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2cccs2)cc1 ZINC000122346031 1117960584 /nfs/dbraw/zinc/96/05/84/1117960584.db2.gz ZEMYSWJGRDCQJI-INIZCTEOSA-N 0 1 370.434 4.022 20 5 FIBDMN CC[C@H](C)c1ccc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540379847 1118031100 /nfs/dbraw/zinc/03/11/00/1118031100.db2.gz JHGOEIYLWRGEGM-GJZGRUSLSA-N 0 1 355.438 4.398 20 5 FIBDMN CC[C@@H](C)c1ccc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540379848 1118031765 /nfs/dbraw/zinc/03/17/65/1118031765.db2.gz JHGOEIYLWRGEGM-HUUCEWRRSA-N 0 1 355.438 4.398 20 5 FIBDMN COc1cc(CSc2nc(-c3ccc(C)cc3)n[nH]2)c([N+](=O)[O-])cc1F ZINC000463411575 1118139171 /nfs/dbraw/zinc/13/91/71/1118139171.db2.gz SZYWEXXICDLIKC-UHFFFAOYSA-N 0 1 374.397 4.128 20 5 FIBDMN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000540588593 1118145210 /nfs/dbraw/zinc/14/52/10/1118145210.db2.gz ATDHZGYMLQHNEJ-RBZFPXEDSA-N 0 1 354.406 4.168 20 5 FIBDMN CC(C)(C)Oc1c(F)cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1F ZINC000541163362 1118410973 /nfs/dbraw/zinc/41/09/73/1118410973.db2.gz MIDOJNVDEYLVKB-UHFFFAOYSA-N 0 1 366.320 4.008 20 5 FIBDMN CCc1ccc([C@@H](NCC2(CCO)CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543868 1118549362 /nfs/dbraw/zinc/54/93/62/1118549362.db2.gz UCGVYJPNWDWKLW-FQEVSTJZSA-N 0 1 372.465 4.372 20 5 FIBDMN 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C[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000449293420 1110025481 /nfs/dbraw/zinc/02/54/81/1110025481.db2.gz VKKCPWZZYYFRJK-VHSXEESVSA-N 0 1 359.373 4.352 20 5 FIBDMN O=[N+]([O-])c1cccc(-c2nc(CN3C[C@H](C4CC4)[C@H]3C3CC3)cs2)c1 ZINC000449536463 1110103531 /nfs/dbraw/zinc/10/35/31/1110103531.db2.gz IOFDSMRBSCGGIP-QZTJIDSGSA-N 0 1 355.463 4.339 20 5 FIBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000449665639 1110140713 /nfs/dbraw/zinc/14/07/13/1110140713.db2.gz FWEIRUYLDUNQGU-QGZVFWFLSA-N 0 1 369.248 4.207 20 5 FIBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000026368177 1110244680 /nfs/dbraw/zinc/24/46/80/1110244680.db2.gz CKVJLECXFNPPEY-STQMWFEESA-N 0 1 361.829 4.234 20 5 FIBDMN C[C@@H](c1ccsc1)N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450447219 1110299596 /nfs/dbraw/zinc/29/95/96/1110299596.db2.gz UKGLZFBLAGTCOK-AWEZNQCLSA-N 0 1 368.462 4.088 20 5 FIBDMN Cc1ccc([C@@H](C)N[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000539052820 1111400717 /nfs/dbraw/zinc/40/07/17/1111400717.db2.gz OERQQVYJPZIDHN-MLGOLLRUSA-N 0 1 368.355 4.306 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000539085493 1111414188 /nfs/dbraw/zinc/41/41/88/1111414188.db2.gz XCAVNFYXBJHBQX-FZKQIMNGSA-N 0 1 373.840 4.013 20 5 FIBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@](C)(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000552848757 1111828221 /nfs/dbraw/zinc/82/82/21/1111828221.db2.gz NRJVDUXORNCWAX-FQEVSTJZSA-N 0 1 370.453 4.025 20 5 FIBDMN CC(C)c1ccc(CNCc2ccc(NC(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000479063387 1111939073 /nfs/dbraw/zinc/93/90/73/1111939073.db2.gz ZCIHRMJLBQRMGI-UHFFFAOYSA-N 0 1 370.453 4.102 20 5 FIBDMN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000555421269 1112826292 /nfs/dbraw/zinc/82/62/92/1112826292.db2.gz XZMDYCZXPLBVOZ-NSHDSACASA-N 0 1 370.327 4.092 20 5 FIBDMN CC[C@H](CN(CC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000482270127 1113213688 /nfs/dbraw/zinc/21/36/88/1113213688.db2.gz SJCTVJZGCSVTJW-CQSZACIVSA-N 0 1 366.421 4.127 20 5 FIBDMN CCCC(=O)Nc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000159902394 1113264344 /nfs/dbraw/zinc/26/43/44/1113264344.db2.gz YPRBSXDUBQJUIP-OAHLLOKOSA-N 0 1 355.438 4.493 20 5 FIBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]3CCc3ccccc3)nc2c1 ZINC000482684495 1113330839 /nfs/dbraw/zinc/33/08/39/1113330839.db2.gz RXFVFSPKUSKJFI-MRXNPFEDSA-N 0 1 350.422 4.068 20 5 FIBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](c3ccc(F)cc3)C3CCC3)nc2c1 ZINC000482696352 1113334070 /nfs/dbraw/zinc/33/40/70/1113334070.db2.gz OJDZKJJMTQOEOA-IBGZPJMESA-N 0 1 354.385 4.241 20 5 FIBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c2c(c1)COCO2 ZINC000111306883 1113349582 /nfs/dbraw/zinc/34/95/82/1113349582.db2.gz KNSHXKUFNQWIHP-CQSZACIVSA-N 0 1 374.824 4.104 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000160491263 1113395165 /nfs/dbraw/zinc/39/51/65/1113395165.db2.gz AZAXPCMOJYAVEX-QGZVFWFLSA-N 0 1 368.481 4.385 20 5 FIBDMN Cc1c([C@@H](C)NCc2ccc(N3CCC(C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000160491541 1113395543 /nfs/dbraw/zinc/39/55/43/1113395543.db2.gz FEAWNGULUQTPCR-QGZVFWFLSA-N 0 1 368.481 4.385 20 5 FIBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000486083668 1113501263 /nfs/dbraw/zinc/50/12/63/1113501263.db2.gz YNYLNHUSLLNRBF-UHFFFAOYSA-N 0 1 351.240 4.036 20 5 FIBDMN CC[C@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n[nH]1 ZINC000486801562 1113652915 /nfs/dbraw/zinc/65/29/15/1113652915.db2.gz VDWJFPQLITYQOQ-IUCAKERBSA-N 0 1 357.336 4.418 20 5 FIBDMN Cc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]n2)c(C)c1 ZINC000489553725 1114131870 /nfs/dbraw/zinc/13/18/70/1114131870.db2.gz DVMHOUFHERVCNN-UHFFFAOYSA-N 0 1 350.378 4.162 20 5 FIBDMN CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000055152010 1114421765 /nfs/dbraw/zinc/42/17/65/1114421765.db2.gz GHKPVCDMBUAPET-CABCVRRESA-N 0 1 371.437 4.060 20 5 FIBDMN C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000590194934 1114906370 /nfs/dbraw/zinc/90/63/70/1114906370.db2.gz NCDFLYKWVABBEF-SECBINFHSA-N 0 1 369.190 4.053 20 5 FIBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H](Cc3ccncc3)C2)c1 ZINC000590173499 1114907856 /nfs/dbraw/zinc/90/78/56/1114907856.db2.gz WZKBMWAKGRWGGD-CQSZACIVSA-N 0 1 365.355 4.073 20 5 FIBDMN CC(C)c1ccc(C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000590563083 1114948751 /nfs/dbraw/zinc/94/87/51/1114948751.db2.gz QMDNKHXQTTVWCR-UHFFFAOYSA-N 0 1 366.377 4.066 20 5 FIBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2cccc(C3CC3)c2)c1 ZINC000593032110 1115280969 /nfs/dbraw/zinc/28/09/69/1115280969.db2.gz UDIMIVNBBQHSLT-ZDUSSCGKSA-N 0 1 354.406 4.110 20 5 FIBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000593077908 1115299798 /nfs/dbraw/zinc/29/97/98/1115299798.db2.gz RYLGSFMAVBFVSO-CKEIUWERSA-N 0 1 370.453 4.117 20 5 FIBDMN COCCOc1cc(C)ccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000167638489 1115309544 /nfs/dbraw/zinc/30/95/44/1115309544.db2.gz LBIYIZPKWAREHE-INIZCTEOSA-N 0 1 358.438 4.088 20 5 FIBDMN C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001168404381 1115434779 /nfs/dbraw/zinc/43/47/79/1115434779.db2.gz SUOHCYMFPYJIHW-BYCMXARLSA-N 0 1 353.260 4.368 20 5 FIBDMN Cc1nn(-c2ccc(C)cc2)cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594495260 1115449877 /nfs/dbraw/zinc/44/98/77/1115449877.db2.gz OYXWTOJGGUANBT-OAHLLOKOSA-N 0 1 350.422 4.248 20 5 FIBDMN Cc1nn(-c2ccccc2F)cc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594498419 1115450734 /nfs/dbraw/zinc/45/07/34/1115450734.db2.gz PIVZFFVJMMKHQI-CQSZACIVSA-N 0 1 368.412 4.387 20 5 FIBDMN COc1ccc([C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000595002959 1115506998 /nfs/dbraw/zinc/50/69/98/1115506998.db2.gz COQFJNDCWIDMOJ-XCLFUZPHSA-N 0 1 356.422 4.414 20 5 FIBDMN CCC[C@H](NCc1cnc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000595061611 1115508496 /nfs/dbraw/zinc/50/84/96/1115508496.db2.gz SIOXVMKGBMGQBC-AWEZNQCLSA-N 0 1 354.332 4.035 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000595097122 1115518088 /nfs/dbraw/zinc/51/80/88/1115518088.db2.gz PIACJRGOFXFANL-PNHOKKKMSA-N 0 1 358.438 4.012 20 5 FIBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000595279061 1115522377 /nfs/dbraw/zinc/52/23/77/1115522377.db2.gz DPCBFBKNLRELAN-SFHVURJKSA-N 0 1 366.417 4.063 20 5 FIBDMN COCC1(C2CCC2)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597191042 1115645578 /nfs/dbraw/zinc/64/55/78/1115645578.db2.gz JGQFXUXJUJGYSE-UHFFFAOYSA-N 0 1 356.422 4.103 20 5 FIBDMN Cc1cc(N2CCC3(CC2)C(F)(F)C3(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000593496478 1115702464 /nfs/dbraw/zinc/70/24/64/1115702464.db2.gz ZNIGUMFCYUJQCK-UHFFFAOYSA-N 0 1 369.318 4.322 20 5 FIBDMN COc1ccc(CNCc2ccco2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061002483 1115747592 /nfs/dbraw/zinc/74/75/92/1115747592.db2.gz CCCWYGAZALENSP-UHFFFAOYSA-N 0 1 368.389 4.065 20 5 FIBDMN CN(C)C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000598998119 1115776189 /nfs/dbraw/zinc/77/61/89/1115776189.db2.gz NQUAIMSVSNLRGY-KRWDZBQOSA-N 0 1 368.264 4.294 20 5 FIBDMN Cc1ccc(CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000599012559 1115777093 /nfs/dbraw/zinc/77/70/93/1115777093.db2.gz GCTGGSXYLDIGIX-MRXNPFEDSA-N 0 1 369.248 4.423 20 5 FIBDMN Cc1ccc(C=Cc2n[nH]c(SCCc3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000603724668 1115808872 /nfs/dbraw/zinc/80/88/72/1115808872.db2.gz QSCOGGGPWJZWDY-HJWRWDBZSA-N 0 1 356.407 4.120 20 5 FIBDMN CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734692 1115809866 /nfs/dbraw/zinc/80/98/66/1115809866.db2.gz DLKCJDTVBWJFNN-AZUAARDMSA-N 0 1 368.433 4.451 20 5 FIBDMN CN(C)C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000599626361 1115832021 /nfs/dbraw/zinc/83/20/21/1115832021.db2.gz DSSCJJQZFVSLBS-INIZCTEOSA-N 0 1 368.264 4.294 20 5 FIBDMN CN(C)C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000599626362 1115832161 /nfs/dbraw/zinc/83/21/61/1115832161.db2.gz DSSCJJQZFVSLBS-MRXNPFEDSA-N 0 1 368.264 4.294 20 5 FIBDMN Cc1ccc([C@@H]2CCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1C ZINC000063619327 1116088260 /nfs/dbraw/zinc/08/82/60/1116088260.db2.gz UOIOQOCHPLMADW-FQEVSTJZSA-N 0 1 368.433 4.415 20 5 FIBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](OC)c1cccc(Cl)c1 ZINC000462755796 1117756388 /nfs/dbraw/zinc/75/63/88/1117756388.db2.gz LPQJTXDVTGRMJK-GOSISDBHSA-N 0 1 364.829 4.124 20 5 FIBDMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000462929927 1117865697 /nfs/dbraw/zinc/86/56/97/1117865697.db2.gz YNBWIUXNGUOGKV-AWEZNQCLSA-N 0 1 370.405 4.101 20 5 FIBDMN Cc1c([C@H](C)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000540152231 1117906314 /nfs/dbraw/zinc/90/63/14/1117906314.db2.gz SGTVJPJVGZBXQS-LRDDRELGSA-N 0 1 368.355 4.306 20 5 FIBDMN COc1ccc(-c2ccc(CN[C@H](C)CC(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000463733030 1118303279 /nfs/dbraw/zinc/30/32/79/1118303279.db2.gz UETZJBNMQYYYEA-SNVBAGLBSA-N 0 1 358.316 4.294 20 5 FIBDMN Cc1cccc([C@H]2CCCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C ZINC000464771303 1118680962 /nfs/dbraw/zinc/68/09/62/1118680962.db2.gz CZGZJRCPXSUQJK-LJQANCHMSA-N 0 1 367.449 4.038 20 5 FIBDMN COc1cccc([C@@H]2C[C@H](C)CN2Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000542247184 1118866676 /nfs/dbraw/zinc/86/66/76/1118866676.db2.gz PMODCCAOWGTOHB-KSSFIOAISA-N 0 1 356.422 4.195 20 5 FIBDMN CSc1cccc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491592481 1118966874 /nfs/dbraw/zinc/96/68/74/1118966874.db2.gz VZMUEFKWSFYCTN-UHFFFAOYSA-N 0 1 366.464 4.043 20 5 FIBDMN CCOc1cc(CN2CCC(c3ccc(C)nc3)CC2)ccc1[N+](=O)[O-] ZINC000491598368 1118967590 /nfs/dbraw/zinc/96/75/90/1118967590.db2.gz FWTNDAXHQJCVFH-UHFFFAOYSA-N 0 1 355.438 4.077 20 5 FIBDMN CC[C@H]1CCCCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491890274 1118990573 /nfs/dbraw/zinc/99/05/73/1118990573.db2.gz NMNXEASCPHSPFO-ZDUSSCGKSA-N 0 1 358.385 4.012 20 5 FIBDMN COc1ccccc1[C@@H](CC(C)C)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000492784367 1119188145 /nfs/dbraw/zinc/18/81/45/1119188145.db2.gz PDHKXCWJOKFNJG-QGZVFWFLSA-N 0 1 358.438 4.489 20 5 FIBDMN CC(C)(C)OC(=O)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493035964 1119257313 /nfs/dbraw/zinc/25/73/13/1119257313.db2.gz OCXPQPJZSICRBX-IBGZPJMESA-N 0 1 356.422 4.006 20 5 FIBDMN CC(C)(C)OC(=O)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493035970 1119257407 /nfs/dbraw/zinc/25/74/07/1119257407.db2.gz OCXPQPJZSICRBX-LJQANCHMSA-N 0 1 356.422 4.006 20 5 FIBDMN O=[N+]([O-])c1ccc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1Cl ZINC000761520666 1119408613 /nfs/dbraw/zinc/40/86/13/1119408613.db2.gz DEOSFRJPUDOMSV-QZTJIDSGSA-N 0 1 364.804 4.397 20 5 FIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000487763515 1119822826 /nfs/dbraw/zinc/82/28/26/1119822826.db2.gz WOHGKWZRCYIHSF-INIZCTEOSA-N 0 1 370.796 4.102 20 5 FIBDMN O=[N+]([O-])c1cccc(CCN[C@@H](c2cccnc2)c2ccc(F)cc2F)c1 ZINC000542493698 1120074605 /nfs/dbraw/zinc/07/46/05/1120074605.db2.gz BLSSJVNCTPOKSL-FQEVSTJZSA-N 0 1 369.371 4.190 20 5 FIBDMN C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000761857156 1120555257 /nfs/dbraw/zinc/55/52/57/1120555257.db2.gz IJDVQPDZUKRYRJ-WDEREUQCSA-N 0 1 372.812 4.105 20 5 FIBDMN O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3F)n[nH]2)c2ccncc21 ZINC000301066611 1120907195 /nfs/dbraw/zinc/90/71/95/1120907195.db2.gz GSKSZJLVJCXQFJ-UHFFFAOYSA-N 0 1 367.365 4.218 20 5 FIBDMN Cc1sc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000032466183 1120948856 /nfs/dbraw/zinc/94/88/56/1120948856.db2.gz GNRHJDVZNBDFSF-UHFFFAOYSA-N 0 1 358.423 4.391 20 5 FIBDMN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2cccs2)Cc2cccs2)c1 ZINC000153680882 1121019688 /nfs/dbraw/zinc/01/96/88/1121019688.db2.gz IRNJSRZKGMZWHO-GOSISDBHSA-N 0 1 374.487 4.454 20 5 FIBDMN Cc1ccc(CN[C@H](C)c2ccc(F)cc2OC(F)F)cc1[N+](=O)[O-] ZINC001168563066 1121045535 /nfs/dbraw/zinc/04/55/35/1121045535.db2.gz DALKONJVWQNESS-LLVKDONJSA-N 0 1 354.328 4.495 20 5 FIBDMN CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000916571931 1121548801 /nfs/dbraw/zinc/54/88/01/1121548801.db2.gz UEPQIIXMBQPZHW-QGZVFWFLSA-N 0 1 373.840 4.196 20 5 FIBDMN C[C@H](NCc1cncc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000488158330 1121601124 /nfs/dbraw/zinc/60/11/24/1121601124.db2.gz FDULAFYQKRJIGV-INIZCTEOSA-N 0 1 363.417 4.420 20 5 FIBDMN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000194510754 1122470985 /nfs/dbraw/zinc/47/09/85/1122470985.db2.gz SRMXIIXFSPIEAA-UHFFFAOYSA-N 0 1 350.378 4.299 20 5 FIBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000179850963 1124119736 /nfs/dbraw/zinc/11/97/36/1124119736.db2.gz TYNGGDWEZSRYGU-UHFFFAOYSA-N 0 1 366.711 4.314 20 5 FIBDMN CO[C@@]1(C(F)(F)F)CCCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000615842171 1124134670 /nfs/dbraw/zinc/13/46/70/1124134670.db2.gz FEGMVQOEJMOUPX-WQMJKPAKSA-N 0 1 358.360 4.041 20 5 FIBDMN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000765850376 1124204995 /nfs/dbraw/zinc/20/49/95/1124204995.db2.gz XWNRFFHEACJKME-XXFAHNHDSA-N 0 1 373.211 4.425 20 5 FIBDMN CCCOc1ccc(CN[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cn1 ZINC000153687485 1124242747 /nfs/dbraw/zinc/24/27/47/1124242747.db2.gz OMEMHYHOGIILIS-AWEZNQCLSA-N 0 1 359.426 4.028 20 5 FIBDMN CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000553991266 1124255752 /nfs/dbraw/zinc/25/57/52/1124255752.db2.gz GVYASBISHOAKJE-QGZVFWFLSA-N 0 1 359.451 4.068 20 5 FIBDMN CCOc1ccc([C@H](C)NCc2ccc(OC)c(OCC)c2)cc1[N+](=O)[O-] ZINC000153795474 1124463359 /nfs/dbraw/zinc/46/33/59/1124463359.db2.gz SVAFHWGGECXUBJ-AWEZNQCLSA-N 0 1 374.437 4.252 20 5 FIBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542946061 1124946036 /nfs/dbraw/zinc/94/60/36/1124946036.db2.gz CPFASZZGWBOFRK-QWHCGFSZSA-N 0 1 368.359 4.208 20 5 FIBDMN C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)c1ccccc1 ZINC000181791892 1125134704 /nfs/dbraw/zinc/13/47/04/1125134704.db2.gz XPWGJIURDDHAMD-CQSZACIVSA-N 0 1 366.421 4.101 20 5 FIBDMN CCc1nc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000113333227 1125154775 /nfs/dbraw/zinc/15/47/75/1125154775.db2.gz LURVDZRUGIJINX-UHFFFAOYSA-N 0 1 374.491 4.070 20 5 FIBDMN COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000569975249 568445526 /nfs/dbraw/zinc/44/55/26/568445526.db2.gz POUSVHDSTRMFEA-CQSZACIVSA-N 0 1 366.421 4.172 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000430210768 1079971607 /nfs/dbraw/zinc/97/16/07/1079971607.db2.gz FMWVZNSOVGZGMA-OAHLLOKOSA-N 0 1 355.438 4.054 20 5 FIBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000134464235 1080240332 /nfs/dbraw/zinc/24/03/32/1080240332.db2.gz PRVWHCBVQRLAGJ-LBPRGKRZSA-N 0 1 371.384 4.450 20 5 FIBDMN COc1ccc(C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC001167129712 1080655996 /nfs/dbraw/zinc/65/59/96/1080655996.db2.gz BFEGVDIDQWGTOO-AWEZNQCLSA-N 0 1 356.422 4.110 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000510182836 1080744102 /nfs/dbraw/zinc/74/41/02/1080744102.db2.gz GLMIOPFBCNLDFO-HYXAFXHYSA-N 0 1 355.413 4.324 20 5 FIBDMN COc1ccc(CN[C@@H](C)c2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000175754637 1081000658 /nfs/dbraw/zinc/00/06/58/1081000658.db2.gz XTUJJGKFQGDHGX-NSHDSACASA-N 0 1 370.327 4.353 20 5 FIBDMN CC(C)c1nc([C@H]2CCCCN2c2ccc([N+](=O)[O-])c3cnccc32)n[nH]1 ZINC000579645775 1081954674 /nfs/dbraw/zinc/95/46/74/1081954674.db2.gz AHBILLLKLLSHSM-QGZVFWFLSA-N 0 1 366.425 4.116 20 5 FIBDMN Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581198888 1082368439 /nfs/dbraw/zinc/36/84/39/1082368439.db2.gz AIVFIXWEXZONGV-FQEVSTJZSA-N 0 1 362.433 4.174 20 5 FIBDMN Cn1nccc1CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000119363540 1082614542 /nfs/dbraw/zinc/61/45/42/1082614542.db2.gz DKZQERXNNZMTPY-UHFFFAOYSA-N 0 1 372.812 4.064 20 5 FIBDMN Cc1ccc2nc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c1 ZINC000005356437 1083605169 /nfs/dbraw/zinc/60/51/69/1083605169.db2.gz VASQBAFXYWNVRN-UHFFFAOYSA-N 0 1 367.390 4.122 20 5 FIBDMN CC(C)N(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](C)c1ccccc1 ZINC000410891035 1083682753 /nfs/dbraw/zinc/68/27/53/1083682753.db2.gz ICNFWYLBUBHQSC-CYBMUJFWSA-N 0 1 352.394 4.083 20 5 FIBDMN CCc1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000179854993 1083730080 /nfs/dbraw/zinc/73/00/80/1083730080.db2.gz SFXZWSHTHIWXSY-UHFFFAOYSA-N 0 1 360.320 4.223 20 5 FIBDMN CC[C@H](N[C@H](Cn1cccn1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610821877 1083749343 /nfs/dbraw/zinc/74/93/43/1083749343.db2.gz HIAKMTUZXDDBKP-VQTJNVASSA-N 0 1 350.422 4.274 20 5 FIBDMN CSCc1ccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000512976782 1083916583 /nfs/dbraw/zinc/91/65/83/1083916583.db2.gz ACBOZPSATMVCKU-UHFFFAOYSA-N 0 1 368.405 4.349 20 5 FIBDMN COc1cc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000157441562 1084383019 /nfs/dbraw/zinc/38/30/19/1084383019.db2.gz WWSRSCXMBKGBRR-KBPBESRZSA-N 0 1 374.437 4.341 20 5 FIBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1cc(F)cc(Br)c1 ZINC000580659087 1084447302 /nfs/dbraw/zinc/44/73/02/1084447302.db2.gz QHHBMYHWOSXCSQ-OAHLLOKOSA-N 0 1 365.202 4.274 20 5 FIBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1cc(F)cc(Br)c1 ZINC000580659084 1084447531 /nfs/dbraw/zinc/44/75/31/1084447531.db2.gz QHHBMYHWOSXCSQ-HNNXBMFYSA-N 0 1 365.202 4.274 20 5 FIBDMN CCO[C@H]1C[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCCCC2 ZINC001167539406 1084494561 /nfs/dbraw/zinc/49/45/61/1084494561.db2.gz MQIIWLUUIIIFGX-MSOLQXFVSA-N 0 1 350.434 4.294 20 5 FIBDMN CCN(C(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000539377060 1084547119 /nfs/dbraw/zinc/54/71/19/1084547119.db2.gz PRLHGKYTPZZQEB-HZPDHXFCSA-N 0 1 361.486 4.124 20 5 FIBDMN CSc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccn1 ZINC000540066951 1084714392 /nfs/dbraw/zinc/71/43/92/1084714392.db2.gz PEPYIKYJVAWULM-UHFFFAOYSA-N 0 1 355.419 4.262 20 5 FIBDMN O=[N+]([O-])c1ccccc1CCN[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000548722709 1084848728 /nfs/dbraw/zinc/84/87/28/1084848728.db2.gz ZYYMNOCLHVVQNM-FQEVSTJZSA-N 0 1 369.371 4.190 20 5 FIBDMN CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000582337795 1084885359 /nfs/dbraw/zinc/88/53/59/1084885359.db2.gz GCNWGXUBFHHDFX-HNNXBMFYSA-N 0 1 367.449 4.309 20 5 FIBDMN CC(C)CN1Cc2cccc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000582337795 1084885366 /nfs/dbraw/zinc/88/53/66/1084885366.db2.gz GCNWGXUBFHHDFX-HNNXBMFYSA-N 0 1 367.449 4.309 20 5 FIBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1ncc(-c2ccccc2)cn1 ZINC000186063896 1085020710 /nfs/dbraw/zinc/02/07/10/1085020710.db2.gz HGUCXZRHRDOGGV-MRXNPFEDSA-N 0 1 362.433 4.163 20 5 FIBDMN CCC[C@H](NCc1cc(OC)c(OC)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000158612542 1085228484 /nfs/dbraw/zinc/22/84/84/1085228484.db2.gz MCJJECKHVYMEDN-KRWDZBQOSA-N 0 1 374.437 4.252 20 5 FIBDMN CCOc1cc2c(cc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000178640091 1085421015 /nfs/dbraw/zinc/42/10/15/1085421015.db2.gz JBPIFUZIKALMBS-ZIAGYGMSSA-N 0 1 356.422 4.168 20 5 FIBDMN CC(C)CC(=O)Nc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178650737 1085578231 /nfs/dbraw/zinc/57/82/31/1085578231.db2.gz HUFQXWSUCWEARQ-HNNXBMFYSA-N 0 1 355.438 4.430 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccccc1F)C1CC1 ZINC000109092983 1085584625 /nfs/dbraw/zinc/58/46/25/1085584625.db2.gz MUPNSZGDPBRYRA-UHFFFAOYSA-N 0 1 371.412 4.036 20 5 FIBDMN CSc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178686570 1085811013 /nfs/dbraw/zinc/81/10/13/1085811013.db2.gz BJBVDLIRJZPNQO-KBPBESRZSA-N 0 1 373.478 4.303 20 5 FIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCc3c2cccc3O)o1 ZINC000105486611 1086560124 /nfs/dbraw/zinc/56/01/24/1086560124.db2.gz SAIPULXPNADYRV-KRWDZBQOSA-N 0 1 350.374 4.338 20 5 FIBDMN COc1ccc(CN[C@H](C)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000106468191 1086647541 /nfs/dbraw/zinc/64/75/41/1086647541.db2.gz SMRADKOODVSZEQ-LLVKDONJSA-N 0 1 354.328 4.473 20 5 FIBDMN O=C(Nc1ccccc1Oc1cccc(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432469954 1086811269 /nfs/dbraw/zinc/81/12/69/1086811269.db2.gz QVBLIONFIUZMIX-UHFFFAOYSA-N 0 1 368.320 4.484 20 5 FIBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(Cc2ccccc2)c1 ZINC000090853603 1087415500 /nfs/dbraw/zinc/41/55/00/1087415500.db2.gz XZDPYDKEMFUVOO-HOTGVXAUSA-N 0 1 350.422 4.251 20 5 FIBDMN Cc1c(CNCc2ccccc2OCc2ccncc2)cccc1[N+](=O)[O-] ZINC000480480519 1087514438 /nfs/dbraw/zinc/51/44/38/1087514438.db2.gz SVEJPJCMACHPKB-UHFFFAOYSA-N 0 1 363.417 4.167 20 5 FIBDMN Cn1ccnc1[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000514092671 1088740612 /nfs/dbraw/zinc/74/06/12/1088740612.db2.gz GCSNKFHXDCFUCH-IXIUHKBRSA-N 0 1 368.481 4.366 20 5 FIBDMN Cc1ccc([C@]2(C)CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000434752025 1089022414 /nfs/dbraw/zinc/02/24/14/1089022414.db2.gz KMKZNRHIFMDGDM-HXUWFJFHSA-N 0 1 351.406 4.208 20 5 FIBDMN Cc1ccc(C)c([C@@H](C)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000434751049 1089029624 /nfs/dbraw/zinc/02/96/24/1089029624.db2.gz BGNXUBDOPQKKBX-MRXNPFEDSA-N 0 1 355.438 4.152 20 5 FIBDMN COc1ccc(C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C2CC2)cc1 ZINC000505552900 1089081666 /nfs/dbraw/zinc/08/16/66/1089081666.db2.gz GBGWNBLJVNYIDV-HNNXBMFYSA-N 0 1 370.449 4.413 20 5 FIBDMN COc1ccc(CN(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C2CC2)cc1 ZINC000505552900 1089081684 /nfs/dbraw/zinc/08/16/84/1089081684.db2.gz GBGWNBLJVNYIDV-HNNXBMFYSA-N 0 1 370.449 4.413 20 5 FIBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000101593646 1089806538 /nfs/dbraw/zinc/80/65/38/1089806538.db2.gz LLNNPRXBIAVIBI-INIZCTEOSA-N 0 1 363.417 4.420 20 5 FIBDMN COc1ccc(OC)c(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417326264 1090817020 /nfs/dbraw/zinc/81/70/20/1090817020.db2.gz ROFQNDZOZSTPSG-IBGZPJMESA-N 0 1 356.422 4.169 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(OC2CCCC2)nc1 ZINC000162637341 1091179387 /nfs/dbraw/zinc/17/93/87/1091179387.db2.gz VCOOOVAZAOMWNH-OAHLLOKOSA-N 0 1 355.438 4.470 20 5 FIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000053644339 1091282059 /nfs/dbraw/zinc/28/20/59/1091282059.db2.gz ZCTKSVWRECDQSV-LJQANCHMSA-N 0 1 373.428 4.358 20 5 FIBDMN Cc1cc([N+](=O)[O-])cnc1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000110930742 1091720261 /nfs/dbraw/zinc/72/02/61/1091720261.db2.gz KYWCCWZYPKXTCL-UHFFFAOYSA-N 0 1 360.845 4.028 20 5 FIBDMN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000178564358 1091994718 /nfs/dbraw/zinc/99/47/18/1091994718.db2.gz HXMZAGPUIWJCNL-QFYYESIMSA-N 0 1 355.221 4.286 20 5 FIBDMN COc1cc(CNCc2cc(C)cc3c(C)c(C)[nH]c32)c([N+](=O)[O-])cc1O ZINC000521828681 1092931528 /nfs/dbraw/zinc/93/15/28/1092931528.db2.gz QTWGJDUJDWQOLG-UHFFFAOYSA-N 0 1 369.421 4.005 20 5 FIBDMN CC[C@H](C)c1nc([C@@H](C)N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000433065765 1093188759 /nfs/dbraw/zinc/18/87/59/1093188759.db2.gz 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FIBDMN Cc1cc2cc(CNCc3cc([N+](=O)[O-])ccc3OC(F)F)ccc2[nH]1 ZINC000513100535 1093846186 /nfs/dbraw/zinc/84/61/86/1093846186.db2.gz KSXUQLBFRYLJLX-UHFFFAOYSA-N 0 1 361.348 4.276 20 5 FIBDMN CCOc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(Cl)c1O ZINC000513115209 1093855553 /nfs/dbraw/zinc/85/55/53/1093855553.db2.gz NHFWIQZZSYNVSN-NSHDSACASA-N 0 1 350.802 4.203 20 5 FIBDMN C[C@H]1C[C@@H](c2ccccc2)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000513256248 1094039459 /nfs/dbraw/zinc/03/94/59/1094039459.db2.gz KQNPVTOAACKDIR-KSSFIOAISA-N 0 1 364.405 4.228 20 5 FIBDMN CCSc1ccc(Cl)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433755821 1094080371 /nfs/dbraw/zinc/08/03/71/1094080371.db2.gz BGVWBNPQTDPZIZ-UHFFFAOYSA-N 0 1 368.846 4.459 20 5 FIBDMN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433765510 1094091132 /nfs/dbraw/zinc/09/11/32/1094091132.db2.gz LCCNXWCJASIJLB-QGZVFWFLSA-N 0 1 358.442 4.219 20 5 FIBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000433853719 1094142672 /nfs/dbraw/zinc/14/26/72/1094142672.db2.gz LLFKDNUAFMRASP-UHFFFAOYSA-N 0 1 371.224 4.020 20 5 FIBDMN COc1cc(CN[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182786953 1094167266 /nfs/dbraw/zinc/16/72/66/1094167266.db2.gz WGIXLUHDQFTEAU-GFCCVEGCSA-N 0 1 366.364 4.098 20 5 FIBDMN CC(C)C1CCC(N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000513672872 1094267599 /nfs/dbraw/zinc/26/75/99/1094267599.db2.gz NHTYGEYHTBBXSB-KVWWFHCMSA-N 0 1 356.470 4.222 20 5 FIBDMN O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)nc1 ZINC000413370171 1094998410 /nfs/dbraw/zinc/99/84/10/1094998410.db2.gz CBBHWENBFWSCAG-OAHLLOKOSA-N 0 1 357.801 4.251 20 5 FIBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503437663 1096402183 /nfs/dbraw/zinc/40/21/83/1096402183.db2.gz FOINJGUOMDBYGI-AWEZNQCLSA-N 0 1 374.872 4.161 20 5 FIBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000503581110 1096475113 /nfs/dbraw/zinc/47/51/13/1096475113.db2.gz JKVQJQAEPYWRMW-BDAKNGLRSA-N 0 1 368.235 4.162 20 5 FIBDMN O=[N+]([O-])c1cccc(F)c1CSc1n[nH]c(CCC2CCCC2)n1 ZINC000504519226 1096796777 /nfs/dbraw/zinc/79/67/77/1096796777.db2.gz SBUGEGJMMHKXPT-UHFFFAOYSA-N 0 1 350.419 4.267 20 5 FIBDMN O=[N+]([O-])c1cccc(F)c1CSc1nc(CCC2CCCC2)n[nH]1 ZINC000504519226 1096796785 /nfs/dbraw/zinc/79/67/85/1096796785.db2.gz SBUGEGJMMHKXPT-UHFFFAOYSA-N 0 1 350.419 4.267 20 5 FIBDMN O=C(Nc1cccc(Cl)c1O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000533018749 1098692459 /nfs/dbraw/zinc/69/24/59/1098692459.db2.gz BGTPPNZXRPGOQQ-UHFFFAOYSA-N 0 1 360.675 4.225 20 5 FIBDMN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000515717240 1098869264 /nfs/dbraw/zinc/86/92/64/1098869264.db2.gz HGBCLLSSYJVBIM-ARFHVFGLSA-N 0 1 369.465 4.074 20 5 FIBDMN O=C(Nc1ccccc1COc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505799720 1098947995 /nfs/dbraw/zinc/94/79/95/1098947995.db2.gz VEERPMVRZXHLTC-UHFFFAOYSA-N 0 1 364.357 4.132 20 5 FIBDMN 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ZEJAPJOHUFIYQR-MRXNPFEDSA-N 0 1 358.438 4.169 20 5 FIBDMN Cc1ccc([C@@H](C)NCc2ccnn2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000610831458 1083746776 /nfs/dbraw/zinc/74/67/76/1083746776.db2.gz WPXOASYWIRWSCV-QGZVFWFLSA-N 0 1 364.449 4.193 20 5 FIBDMN CC[C@H](N[C@@H](Cn1cccn1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610821875 1083748944 /nfs/dbraw/zinc/74/89/44/1083748944.db2.gz HIAKMTUZXDDBKP-PMACEKPBSA-N 0 1 350.422 4.274 20 5 FIBDMN O=[N+]([O-])c1ccccc1OCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000071961781 1084420616 /nfs/dbraw/zinc/42/06/16/1084420616.db2.gz AENGQMIIYVYLAZ-ZHACJKMWSA-N 0 1 368.418 4.054 20 5 FIBDMN CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001167517182 1084433742 /nfs/dbraw/zinc/43/37/42/1084433742.db2.gz OJGKHQGWNZKEOR-GOSISDBHSA-N 0 1 369.465 4.103 20 5 FIBDMN CC(C)c1nc([C@H]2CCCCN2Cc2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000582389076 1084688861 /nfs/dbraw/zinc/68/88/61/1084688861.db2.gz SMOIQMJSXIVZKW-OAHLLOKOSA-N 0 1 363.849 4.217 20 5 FIBDMN 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O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3C[C@H]3Cc3ccccc3)cs2)c1 ZINC000610271240 1080986514 /nfs/dbraw/zinc/98/65/14/1080986514.db2.gz SXAODFUBUQIGLV-APWZRJJASA-N 0 1 365.458 4.439 20 5 FIBDMN CC(=O)c1ccc(N[C@@H](CN2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610279263 1081134114 /nfs/dbraw/zinc/13/41/14/1081134114.db2.gz NVQWFDANQKMPBB-FQEVSTJZSA-N 0 1 367.449 4.437 20 5 FIBDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1Cl ZINC000579980480 1081350247 /nfs/dbraw/zinc/35/02/47/1081350247.db2.gz ZDUDPDOOEXVIAF-OAHLLOKOSA-N 0 1 374.824 4.326 20 5 FIBDMN CCCc1[nH]nc(C(=O)N2CC3(CCCCCC3)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001648894874 1081351857 /nfs/dbraw/zinc/35/18/57/1081351857.db2.gz UTRQHMMSAKZBOC-QGZVFWFLSA-N 0 1 362.474 4.091 20 5 FIBDMN CC(=O)N1CCCCC[C@H]1C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610369505 1081554104 /nfs/dbraw/zinc/55/41/04/1081554104.db2.gz FHXIORNRXUCVSY-UZLBHIALSA-N 0 1 373.497 4.159 20 5 FIBDMN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H](CC)c1ccccc1 ZINC001625865633 1081983876 /nfs/dbraw/zinc/98/38/76/1081983876.db2.gz AWXJEIBVRRIIPE-HNNXBMFYSA-N 0 1 358.442 4.445 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(OCCc2ccccc2)CC1 ZINC000510364547 1082297131 /nfs/dbraw/zinc/29/71/31/1082297131.db2.gz QCMHHYCXYKTSEC-POHAHGRESA-N 0 1 366.461 4.332 20 5 FIBDMN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581198889 1082367989 /nfs/dbraw/zinc/36/79/89/1082367989.db2.gz AIVFIXWEXZONGV-HXUWFJFHSA-N 0 1 362.433 4.174 20 5 FIBDMN Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001167464448 1082593667 /nfs/dbraw/zinc/59/36/67/1082593667.db2.gz MAFZDWSPNGDUFQ-YESZJQIVSA-N 0 1 367.449 4.108 20 5 FIBDMN Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[nH]c2c1 ZINC000561502101 1082677288 /nfs/dbraw/zinc/67/72/88/1082677288.db2.gz HEXIMWIZNIWXHM-UHFFFAOYSA-N 0 1 364.283 4.051 20 5 FIBDMN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581560 1083206995 /nfs/dbraw/zinc/20/69/95/1083206995.db2.gz SRXLOHBYTYSRCO-GOSISDBHSA-N 0 1 367.405 4.254 20 5 FIBDMN CC(C)[C@@H]1c2ccccc2CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610788003 1083517916 /nfs/dbraw/zinc/51/79/16/1083517916.db2.gz DKPRPWRDHNKCNW-HXUWFJFHSA-N 0 1 368.433 4.217 20 5 FIBDMN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc2ccccc21 ZINC000179693326 1083608456 /nfs/dbraw/zinc/60/84/56/1083608456.db2.gz SFAGAFRMWHCULX-CQSZACIVSA-N 0 1 364.401 4.465 20 5 FIBDMN Cc1c([C@@H](C)N[C@H](Cn2cccn2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610821895 1083748919 /nfs/dbraw/zinc/74/89/19/1083748919.db2.gz NWLYZKIQJHYUEO-VQIMIIECSA-N 0 1 350.422 4.192 20 5 FIBDMN Cc1noc(C[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277132257 1083772937 /nfs/dbraw/zinc/77/29/37/1083772937.db2.gz OQCCTHXXRSHEDV-KDOFPFPSSA-N 0 1 366.421 4.229 20 5 FIBDMN CC[C@H](N[C@H](Cc1nc(C)no1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000277209852 1084020540 /nfs/dbraw/zinc/02/05/40/1084020540.db2.gz WLHPYQSAZKZYKN-RBUKOAKNSA-N 0 1 366.421 4.311 20 5 FIBDMN Cc1cc(NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000071952691 1084368204 /nfs/dbraw/zinc/36/82/04/1084368204.db2.gz MSWUBSLFHVIREQ-IRXDYDNUSA-N 0 1 369.465 4.125 20 5 FIBDMN CCc1ccc([C@H](NCCC2(OC)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000551244348 1084583625 /nfs/dbraw/zinc/58/36/25/1084583625.db2.gz XNJAALFJGZTENU-LJQANCHMSA-N 0 1 358.438 4.388 20 5 FIBDMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C2 ZINC000263505374 1084590428 /nfs/dbraw/zinc/59/04/28/1084590428.db2.gz LWTPWGMGNGHETA-ORAYPTAESA-N 0 1 372.446 4.010 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)c1ccc(Cl)cc1 ZINC000551723447 1084705333 /nfs/dbraw/zinc/70/53/33/1084705333.db2.gz MMSVBSCZSKUBDK-UHFFFAOYSA-N 0 1 361.829 4.020 20 5 FIBDMN Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c(N2CCCC2)n1 ZINC000611591298 1084910521 /nfs/dbraw/zinc/91/05/21/1084910521.db2.gz IBIXXMZFHVFQFO-MRXNPFEDSA-N 0 1 354.454 4.058 20 5 FIBDMN Cn1ccnc1[C@H](N[C@@H]1CCC[C@@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000414291198 1084976459 /nfs/dbraw/zinc/97/64/59/1084976459.db2.gz AUVCRLRMSNTXAV-RCCFBDPRSA-N 0 1 356.470 4.222 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000178629770 1085335117 /nfs/dbraw/zinc/33/51/17/1085335117.db2.gz DRLITHLWYMBJFC-UHFFFAOYSA-N 0 1 364.283 4.051 20 5 FIBDMN CCOc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000178647020 1085566006 /nfs/dbraw/zinc/56/60/06/1085566006.db2.gz REVDNQHTZDWISB-GFCCVEGCSA-N 0 1 366.364 4.446 20 5 FIBDMN COc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000549552508 1085686891 /nfs/dbraw/zinc/68/68/91/1085686891.db2.gz GVRJMJFTKVWKCZ-AWEZNQCLSA-N 0 1 366.421 4.172 20 5 FIBDMN Cc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000178690642 1085816720 /nfs/dbraw/zinc/81/67/20/1085816720.db2.gz GQUUFXPJEGYDRY-ZIAGYGMSSA-N 0 1 359.401 4.029 20 5 FIBDMN COc1ccc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccco2)cc1 ZINC000612409589 1085857542 /nfs/dbraw/zinc/85/75/42/1085857542.db2.gz FMNADERBIIVEQW-HXUWFJFHSA-N 0 1 352.390 4.118 20 5 FIBDMN CC(C)[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1Cl ZINC001126183245 1085995338 /nfs/dbraw/zinc/99/53/38/1085995338.db2.gz OEWDWYRFROOLNI-INIZCTEOSA-N 0 1 372.812 4.252 20 5 FIBDMN CCC[C@@H]1[C@H](C)CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001167799442 1086430747 /nfs/dbraw/zinc/43/07/47/1086430747.db2.gz ZNUXSCVFMIAPKH-IUODEOHRSA-N 0 1 353.850 4.087 20 5 FIBDMN Cc1ccccc1[C@H]1CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052212656 1086451354 /nfs/dbraw/zinc/45/13/54/1086451354.db2.gz CNDAKQILZNSJCK-LJQANCHMSA-N 0 1 354.406 4.107 20 5 FIBDMN COc1cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000480161942 1086637805 /nfs/dbraw/zinc/63/78/05/1086637805.db2.gz KKSYWZDLVWBOII-NSHDSACASA-N 0 1 352.337 4.056 20 5 FIBDMN Cc1nc(C)c([C@@H](C)NCc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000162140806 1087253695 /nfs/dbraw/zinc/25/36/95/1087253695.db2.gz ATPASUDLNVXREF-MRVPVSSYSA-N 0 1 370.272 4.281 20 5 FIBDMN Cc1oc([C@@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1C(=O)[O-] ZINC000584362762 1087282792 /nfs/dbraw/zinc/28/27/92/1087282792.db2.gz WVPFKVLYHZRYDW-IUODEOHRSA-N 0 1 358.394 4.135 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000255590229 1087340967 /nfs/dbraw/zinc/34/09/67/1087340967.db2.gz YIZUYRVSFQQQOV-OMUFJYGLSA-N 0 1 370.424 4.193 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCO[C@H](CF)C3)o2)c(Cl)c1 ZINC000414475616 1088690639 /nfs/dbraw/zinc/69/06/39/1088690639.db2.gz HJTVOHKWECDARF-CQSZACIVSA-N 0 1 368.792 4.069 20 5 FIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434623076 1088844499 /nfs/dbraw/zinc/84/44/99/1088844499.db2.gz JMNZWKWZLNCIEB-FQEVSTJZSA-N 0 1 373.428 4.310 20 5 FIBDMN O=[N+]([O-])c1ccc2oc(CN3CCC(Cc4ccccc4)CC3)nc2c1 ZINC000434835523 1089065120 /nfs/dbraw/zinc/06/51/20/1089065120.db2.gz CZKDQHYRKVDSQJ-UHFFFAOYSA-N 0 1 351.406 4.191 20 5 FIBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000505585453 1089174181 /nfs/dbraw/zinc/17/41/81/1089174181.db2.gz NMJBLEOUUADPPZ-MRXNPFEDSA-N 0 1 355.419 4.247 20 5 FIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2Cn2cnc3ccccc32)c(Cl)c1 ZINC000541118846 1089245216 /nfs/dbraw/zinc/24/52/16/1089245216.db2.gz XZPJIRSYLJDJLB-INIZCTEOSA-N 0 1 370.840 4.263 20 5 FIBDMN COc1ncc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000417349151 1090828262 /nfs/dbraw/zinc/82/82/62/1090828262.db2.gz KLWITVKMZWROPI-KRWDZBQOSA-N 0 1 361.829 4.209 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000511628228 1090890931 /nfs/dbraw/zinc/89/09/31/1090890931.db2.gz XZGFHJUSPVYLNN-SFHVURJKSA-N 0 1 373.840 4.332 20 5 FIBDMN COc1cccc(C2(F)CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000500166120 1091078568 /nfs/dbraw/zinc/07/85/68/1091078568.db2.gz IECQLXHGODVPBF-UHFFFAOYSA-N 0 1 374.412 4.073 20 5 FIBDMN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000123554633 1091182348 /nfs/dbraw/zinc/18/23/48/1091182348.db2.gz JKDLZHOQWFEFJP-LBPRGKRZSA-N 0 1 372.812 4.192 20 5 FIBDMN Cc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCCO2)c1 ZINC000124286819 1091747511 /nfs/dbraw/zinc/74/75/11/1091747511.db2.gz JGSGLOMXPUQTTM-JXFKEZNVSA-N 0 1 370.449 4.312 20 5 FIBDMN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000178564395 1091994437 /nfs/dbraw/zinc/99/44/37/1091994437.db2.gz HXMZAGPUIWJCNL-QLJPJBMISA-N 0 1 355.221 4.286 20 5 FIBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-c2ccncc2)cc1F ZINC000521889420 1092966905 /nfs/dbraw/zinc/96/69/05/1092966905.db2.gz SRSKLBVRVMCFQG-UHFFFAOYSA-N 0 1 365.408 4.470 20 5 FIBDMN Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433063849 1093172912 /nfs/dbraw/zinc/17/29/12/1093172912.db2.gz ZKJOABHHUIAFFD-FUHWJXTLSA-N 0 1 367.449 4.110 20 5 FIBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000433063849 1093172920 /nfs/dbraw/zinc/17/29/20/1093172920.db2.gz ZKJOABHHUIAFFD-FUHWJXTLSA-N 0 1 367.449 4.110 20 5 FIBDMN Cn1ccnc1[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000512890678 1093511562 /nfs/dbraw/zinc/51/15/62/1093511562.db2.gz LGSSUJIVXCWKOL-GOSISDBHSA-N 0 1 368.462 4.298 20 5 FIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474429614 1093769817 /nfs/dbraw/zinc/76/98/17/1093769817.db2.gz AUDWNDYMBXTYHK-UHFFFAOYSA-N 0 1 370.789 4.457 20 5 FIBDMN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000178869455 1093972675 /nfs/dbraw/zinc/97/26/75/1093972675.db2.gz MVFVXXIWXZYKRT-SFTDATJTSA-N 0 1 366.392 4.147 20 5 FIBDMN C[C@H]1C[C@H](c2ccccc2)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000513256246 1094039331 /nfs/dbraw/zinc/03/93/31/1094039331.db2.gz KQNPVTOAACKDIR-KBXCAEBGSA-N 0 1 364.405 4.228 20 5 FIBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000513440869 1094127330 /nfs/dbraw/zinc/12/73/30/1094127330.db2.gz YLELTWYYFXKICZ-GPCFVJJQSA-N 0 1 352.390 4.174 20 5 FIBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000433855425 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FIBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000569019693 568272617 /nfs/dbraw/zinc/27/26/17/568272617.db2.gz NJQMDOCFZIJVPS-YSIASYRMSA-N 0 1 356.397 4.231 20 5 FIBDMN Cc1cc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000032465269 568391040 /nfs/dbraw/zinc/39/10/40/568391040.db2.gz DHXVGUZZFFRVRH-UHFFFAOYSA-N 0 1 352.394 4.329 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000430227454 1080031015 /nfs/dbraw/zinc/03/10/15/1080031015.db2.gz PNLWPOFNEJTKPS-LLVKDONJSA-N 0 1 352.337 4.056 20 5 FIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000610226501 1080038794 /nfs/dbraw/zinc/03/87/94/1080038794.db2.gz LPSRGYIAYYDJED-GOSISDBHSA-N 0 1 364.405 4.065 20 5 FIBDMN COc1ccc(C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC001167129713 1080655470 /nfs/dbraw/zinc/65/54/70/1080655470.db2.gz BFEGVDIDQWGTOO-CQSZACIVSA-N 0 1 356.422 4.110 20 5 FIBDMN CCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC001167205858 1080843940 /nfs/dbraw/zinc/84/39/40/1080843940.db2.gz KBWVNBDNZVBIHB-LJQANCHMSA-N 0 1 350.422 4.371 20 5 FIBDMN O=[N+]([O-])c1cnc(N[C@H](CN2CCCCC2)c2ccccc2)c(Cl)c1 ZINC000610279224 1081132957 /nfs/dbraw/zinc/13/29/57/1081132957.db2.gz AYVXHOUAHXPHTO-QGZVFWFLSA-N 0 1 360.845 4.282 20 5 FIBDMN O=[N+]([O-])c1ncccc1Sc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000610280766 1081196677 /nfs/dbraw/zinc/19/66/77/1081196677.db2.gz KABJCXLBRNARFX-UHFFFAOYSA-N 0 1 368.205 4.233 20 5 FIBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000175847578 1081455150 /nfs/dbraw/zinc/45/51/50/1081455150.db2.gz LKWLIPZZDBMRQP-CZUORRHYSA-N 0 1 366.870 4.398 20 5 FIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2ccc(Cl)cc2)CCC1 ZINC000610390590 1081716863 /nfs/dbraw/zinc/71/68/63/1081716863.db2.gz DQLOSWQRCNTCCZ-UHFFFAOYSA-N 0 1 373.840 4.164 20 5 FIBDMN CC[C@@H](NCc1cc(OC)ccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000119004860 1081868235 /nfs/dbraw/zinc/86/82/35/1081868235.db2.gz ORSMVOYKXZBCAQ-MRXNPFEDSA-N 0 1 366.364 4.446 20 5 FIBDMN COc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC000477540699 1082906482 /nfs/dbraw/zinc/90/64/82/1082906482.db2.gz XFOLMVSHICIUEZ-UHFFFAOYSA-N 0 1 366.339 4.401 20 5 FIBDMN CCc1ccc([C@@H](NCCC(O)(CC)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000471785990 1082987847 /nfs/dbraw/zinc/98/78/47/1082987847.db2.gz GITNUPDFLRDYKJ-IBGZPJMESA-N 0 1 360.454 4.370 20 5 FIBDMN CCOc1cc(CN[C@@H](C)c2cn(C(C)(C)C)nc2C)ccc1[N+](=O)[O-] ZINC000276897342 1083348314 /nfs/dbraw/zinc/34/83/14/1083348314.db2.gz LDPQQASELGMCRB-ZDUSSCGKSA-N 0 1 360.458 4.104 20 5 FIBDMN COc1cc(C)c([C@@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000179623366 1083573687 /nfs/dbraw/zinc/57/36/87/1083573687.db2.gz BFZZCUOWPNUNPI-GFCCVEGCSA-N 0 1 364.829 4.425 20 5 FIBDMN Cc1ccc([C@@H](C)N[C@@H](Cn2cccn2)c2ccccc2)cc1[N+](=O)[O-] ZINC000610821888 1083749019 /nfs/dbraw/zinc/74/90/19/1083749019.db2.gz MJWVHJUBGJYZDN-APWZRJJASA-N 0 1 350.422 4.192 20 5 FIBDMN Cc1nc(C(F)(F)F)c(CN(C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000548927601 1083772856 /nfs/dbraw/zinc/77/28/56/1083772856.db2.gz JXJKLPYZCSWMAQ-UHFFFAOYSA-N 0 1 359.373 4.053 20 5 FIBDMN Cc1ccc([C@@H](C)CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000611560903 1084086264 /nfs/dbraw/zinc/08/62/64/1084086264.db2.gz BPRSVKDPBNHIPR-OXJNMPFZSA-N 0 1 364.449 4.119 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CO)c3ccsc3)s2)cc1 ZINC000472064091 1084215017 /nfs/dbraw/zinc/21/50/17/1084215017.db2.gz QZSXBSAQHPBBPR-MRXNPFEDSA-N 0 1 360.460 4.208 20 5 FIBDMN CCO[C@@H]1C[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCCCC2 ZINC001167539409 1084493173 /nfs/dbraw/zinc/49/31/73/1084493173.db2.gz MQIIWLUUIIIFGX-ZWKOTPCHSA-N 0 1 350.434 4.294 20 5 FIBDMN CCCC(=O)Nc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000581262423 1084526570 /nfs/dbraw/zinc/52/65/70/1084526570.db2.gz XBDLSQQHSPBPEA-GOSISDBHSA-N 0 1 353.422 4.111 20 5 FIBDMN COc1cccc(N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000581340915 1084534528 /nfs/dbraw/zinc/53/45/28/1084534528.db2.gz UHNLOKJTGDTCNZ-AWEZNQCLSA-N 0 1 366.421 4.172 20 5 FIBDMN COc1cc(CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000552015341 1084771589 /nfs/dbraw/zinc/77/15/89/1084771589.db2.gz MOXKPSDFYXINDL-UHFFFAOYSA-N 0 1 366.364 4.145 20 5 FIBDMN O=[N+]([O-])c1ccccc1CCN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000548722653 1084845428 /nfs/dbraw/zinc/84/54/28/1084845428.db2.gz MPQGVEUHCJMHLG-HXUWFJFHSA-N 0 1 351.381 4.051 20 5 FIBDMN COc1ccc(CNCc2ccc(C(F)(F)F)c(C)c2)cc1[N+](=O)[O-] ZINC000414297373 1084990631 /nfs/dbraw/zinc/99/06/31/1084990631.db2.gz HJLXXJWUEOFOPZ-UHFFFAOYSA-N 0 1 354.328 4.220 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000158366982 1085052703 /nfs/dbraw/zinc/05/27/03/1085052703.db2.gz WIZFKKJFARODAF-UHFFFAOYSA-N 0 1 353.422 4.127 20 5 FIBDMN Cc1cccc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1[N+](=O)[O-] ZINC000178634601 1085403812 /nfs/dbraw/zinc/40/38/12/1085403812.db2.gz SBXFMTLXHUEMBN-UHFFFAOYSA-N 0 1 364.283 4.051 20 5 FIBDMN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178639978 1085421441 /nfs/dbraw/zinc/42/14/41/1085421441.db2.gz HEJSUNTUXASRRT-AWEZNQCLSA-N 0 1 350.422 4.248 20 5 FIBDMN CCOc1ccc([C@@H](C)NCc2ccnc(SCC)c2)cc1[N+](=O)[O-] ZINC000187794396 1085545812 /nfs/dbraw/zinc/54/58/12/1085545812.db2.gz SPKTZCGZZQPQPR-CYBMUJFWSA-N 0 1 361.467 4.351 20 5 FIBDMN C[C@H](NCc1cc(F)cc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178648408 1085569436 /nfs/dbraw/zinc/56/94/36/1085569436.db2.gz AAKYYANKUPOSSY-JTQLQIEISA-N 0 1 353.191 4.347 20 5 FIBDMN COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1OC(F)F ZINC000125613900 1085983392 /nfs/dbraw/zinc/98/33/92/1085983392.db2.gz AFUSYBAIOHKMPR-GFCCVEGCSA-N 0 1 366.364 4.364 20 5 FIBDMN CCC[C@H]1[C@@H](C)CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001167799444 1086430104 /nfs/dbraw/zinc/43/01/04/1086430104.db2.gz ZNUXSCVFMIAPKH-WFASDCNBSA-N 0 1 353.850 4.087 20 5 FIBDMN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CCc4c3cccc4O)o2)c1 ZINC000105486574 1086557201 /nfs/dbraw/zinc/55/72/01/1086557201.db2.gz XCPKDZJNIZYRFG-GOSISDBHSA-N 0 1 350.374 4.338 20 5 FIBDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1(CC)CC ZINC001167818777 1086568482 /nfs/dbraw/zinc/56/84/82/1086568482.db2.gz JHBNJOFDMILDBS-MSOLQXFVSA-N 0 1 350.459 4.019 20 5 FIBDMN CCO[C@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)C1(CC)CC ZINC001167818777 1086568495 /nfs/dbraw/zinc/56/84/95/1086568495.db2.gz JHBNJOFDMILDBS-MSOLQXFVSA-N 0 1 350.459 4.019 20 5 FIBDMN O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432488844 1086842454 /nfs/dbraw/zinc/84/24/54/1086842454.db2.gz IDSAPFACZLMKSB-UHFFFAOYSA-N 0 1 370.311 4.498 20 5 FIBDMN Cc1c(CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000512160753 1086853840 /nfs/dbraw/zinc/85/38/40/1086853840.db2.gz AZWBVEQAVNQYTB-MRXNPFEDSA-N 0 1 369.248 4.423 20 5 FIBDMN COc1ccc(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000102419119 1087695339 /nfs/dbraw/zinc/69/53/39/1087695339.db2.gz BMZFPHCBZVONPV-UHFFFAOYSA-N 0 1 368.389 4.162 20 5 FIBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000463041307 1088042327 /nfs/dbraw/zinc/04/23/27/1088042327.db2.gz XYHXTOGWJQGHPJ-QJWNTBNXSA-N 0 1 360.360 4.390 20 5 FIBDMN Cc1cccc([C@@H]2CCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1C ZINC000434243055 1088427126 /nfs/dbraw/zinc/42/71/26/1088427126.db2.gz NOISWMDROXNREQ-HNNXBMFYSA-N 0 1 356.426 4.035 20 5 FIBDMN Cn1ccnc1[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000514092677 1088739666 /nfs/dbraw/zinc/73/96/66/1088739666.db2.gz GCSNKFHXDCFUCH-YNVMFWSZSA-N 0 1 368.481 4.366 20 5 FIBDMN Cc1ccc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414539793 1088818793 /nfs/dbraw/zinc/81/87/93/1088818793.db2.gz BJBCMFZBQLPJGL-FQEVSTJZSA-N 0 1 352.434 4.257 20 5 FIBDMN O=[N+]([O-])c1ccc2oc(CN3CCC(Cc4ccc(F)cc4)CC3)nc2c1 ZINC000434852896 1089078802 /nfs/dbraw/zinc/07/88/02/1089078802.db2.gz LANYYVIDLXUTAY-UHFFFAOYSA-N 0 1 369.396 4.330 20 5 FIBDMN CC1(C)CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000435049499 1089236440 /nfs/dbraw/zinc/23/64/40/1089236440.db2.gz OILKJXOHVWJGFW-UHFFFAOYSA-N 0 1 363.508 4.436 20 5 FIBDMN C[C@@]1(c2ccccc2)CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435064078 1089254801 /nfs/dbraw/zinc/25/48/01/1089254801.db2.gz MGMGRWFWRBXKKE-HXUWFJFHSA-N 0 1 351.406 4.290 20 5 FIBDMN CC[C@@H](C)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000072588503 1090257148 /nfs/dbraw/zinc/25/71/48/1090257148.db2.gz YZYSHLZKDKPFBV-OAHLLOKOSA-N 0 1 366.421 4.446 20 5 FIBDMN CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc21 ZINC000378404303 1090350961 /nfs/dbraw/zinc/35/09/61/1090350961.db2.gz PFFPFFVVURQDDS-KSSFIOAISA-N 0 1 353.422 4.052 20 5 FIBDMN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759851963 1091327624 /nfs/dbraw/zinc/32/76/24/1091327624.db2.gz XDNMZDNDMJUDQD-GOSISDBHSA-N 0 1 364.804 4.085 20 5 FIBDMN CC(C)c1ccc(CN[C@@H]2CCCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000512226747 1091933236 /nfs/dbraw/zinc/93/32/36/1091933236.db2.gz OLQKZUNJRJTJOT-LJQANCHMSA-N 0 1 367.449 4.003 20 5 FIBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2Nc2ccccc2)c1 ZINC000442226707 1092498921 /nfs/dbraw/zinc/49/89/21/1092498921.db2.gz BJDWQOGLDZPLHV-UHFFFAOYSA-N 0 1 369.402 4.139 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H](c4ccccc4F)C3)co2)cc1 ZINC000549813928 1092832015 /nfs/dbraw/zinc/83/20/15/1092832015.db2.gz VHRZSGHYGNXTDO-OAHLLOKOSA-N 0 1 367.380 4.378 20 5 FIBDMN Cc1cc(N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000573458781 1092925508 /nfs/dbraw/zinc/92/55/08/1092925508.db2.gz DRXRFMWMTGODDL-UHFFFAOYSA-N 0 1 363.421 4.072 20 5 FIBDMN CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)CCO2 ZINC000614160950 1093015925 /nfs/dbraw/zinc/01/59/25/1093015925.db2.gz YDHXIAUAQBGRRH-LIRRHRJNSA-N 0 1 356.422 4.476 20 5 FIBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000843782591 1093159565 /nfs/dbraw/zinc/15/95/65/1093159565.db2.gz YQBSHYRSKRHKAF-UHFFFAOYSA-N 0 1 368.368 4.438 20 5 FIBDMN Cc1ccc(CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000512874045 1093494131 /nfs/dbraw/zinc/49/41/31/1093494131.db2.gz JDMFUYPPMVCVPI-INIZCTEOSA-N 0 1 369.248 4.423 20 5 FIBDMN COc1cc(CN[C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000182347556 1094029687 /nfs/dbraw/zinc/02/96/87/1094029687.db2.gz WNHIYFPFZIDAKO-GFCCVEGCSA-N 0 1 366.364 4.364 20 5 FIBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2c(Cl)cccc2Cl)c1[N+](=O)[O-] ZINC000433675441 1094046620 /nfs/dbraw/zinc/04/66/20/1094046620.db2.gz BZYHJUXPFSHBQT-UHFFFAOYSA-N 0 1 371.224 4.020 20 5 FIBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000502015801 1095056819 /nfs/dbraw/zinc/05/68/19/1095056819.db2.gz VFLMLAMTVJUUKS-UHFFFAOYSA-N 0 1 370.434 4.097 20 5 FIBDMN Cc1c([C@@H](C)N[C@H](C)c2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000281151340 1095495968 /nfs/dbraw/zinc/49/59/68/1095495968.db2.gz OLNCBXSFTHGAAY-VXGBXAGGSA-N 0 1 364.243 4.473 20 5 FIBDMN COc1ccc([C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C(C)C)c(F)c1 ZINC000421826626 1095940259 /nfs/dbraw/zinc/94/02/59/1095940259.db2.gz UBJCVICGFZJYPA-LJQANCHMSA-N 0 1 362.401 4.238 20 5 FIBDMN CCc1ccc([C@H](N[C@@H]2CCO[C@H](CC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421850640 1095955161 /nfs/dbraw/zinc/95/51/61/1095955161.db2.gz DSLNOWCJRHEGPL-XFQXTVEOSA-N 0 1 358.438 4.387 20 5 FIBDMN CC(C)c1[nH]nc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000434183344 1096223592 /nfs/dbraw/zinc/22/35/92/1096223592.db2.gz ZRKBRXDWKMVUCL-MRXNPFEDSA-N 0 1 368.437 4.124 20 5 FIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503410039 1096388555 /nfs/dbraw/zinc/38/85/55/1096388555.db2.gz YTIXCMIFVXLTMB-DJJJIMSYSA-N 0 1 373.840 4.020 20 5 FIBDMN Cc1ccc([C@H](C)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000532931174 1098603105 /nfs/dbraw/zinc/60/31/05/1098603105.db2.gz VCZAPXMQLMNYRC-INIZCTEOSA-N 0 1 355.438 4.152 20 5 FIBDMN Cc1cccc([C@H]2CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000533295319 1098949629 /nfs/dbraw/zinc/94/96/29/1098949629.db2.gz UTMUHBCOKVCRGE-HXUWFJFHSA-N 0 1 367.449 4.012 20 5 FIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000533366664 1098982092 /nfs/dbraw/zinc/98/20/92/1098982092.db2.gz BRKZDOQSXUBUHK-GOSISDBHSA-N 0 1 355.438 4.068 20 5 FIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](Nc2ccccc2)C1 ZINC000533366664 1098982096 /nfs/dbraw/zinc/98/20/96/1098982096.db2.gz BRKZDOQSXUBUHK-GOSISDBHSA-N 0 1 355.438 4.068 20 5 FIBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425553329 1099025655 /nfs/dbraw/zinc/02/56/55/1099025655.db2.gz MFLSNNIITDPNBQ-QGZVFWFLSA-N 0 1 350.846 4.029 20 5 FIBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnc(-c2cc3ccccc3o2)o1 ZINC000436473007 1099048618 /nfs/dbraw/zinc/04/86/18/1099048618.db2.gz DESBZFCPLJTYGC-UHFFFAOYSA-N 0 1 369.358 4.389 20 5 FIBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436762629 1099279190 /nfs/dbraw/zinc/27/91/90/1099279190.db2.gz SGXFXGGMVLOPNC-UHFFFAOYSA-N 0 1 370.792 4.379 20 5 FIBDMN CN1Cc2ccccc2[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000533818406 1099980981 /nfs/dbraw/zinc/98/09/81/1099980981.db2.gz DSYLDRJYCZFRJA-LJQANCHMSA-N 0 1 363.417 4.131 20 5 FIBDMN CC(=O)N1CC[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc21 ZINC000536843463 1100356493 /nfs/dbraw/zinc/35/64/93/1100356493.db2.gz FLDCZTPRDPQXGJ-AUUYWEPGSA-N 0 1 353.422 4.052 20 5 FIBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000518548536 1101290465 /nfs/dbraw/zinc/29/04/65/1101290465.db2.gz DTLHNWRRBBZRPV-UHFFFAOYSA-N 0 1 350.689 4.091 20 5 FIBDMN CCSc1ccc([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000537102925 1101449074 /nfs/dbraw/zinc/44/90/74/1101449074.db2.gz AROXZMKLQLERHM-CQSZACIVSA-N 0 1 373.478 4.305 20 5 FIBDMN CCSc1ccc(Cl)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476248284 1102074867 /nfs/dbraw/zinc/07/48/67/1102074867.db2.gz RGFPGCBIONTGQE-UHFFFAOYSA-N 0 1 352.799 4.318 20 5 FIBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@@H](c4cccc(F)c4)C3)c2)cc1 ZINC000729471013 1102867799 /nfs/dbraw/zinc/86/77/99/1102867799.db2.gz VVOYXEVKSXVIBO-QGZVFWFLSA-N 0 1 366.396 4.044 20 5 FIBDMN Cc1ccc(Sc2ccc(CN3CC[C@H]([C@@H](C)O)C3)cc2[N+](=O)[O-])cc1 ZINC000507700956 1103630191 /nfs/dbraw/zinc/63/01/91/1103630191.db2.gz YBUKAKODIWJIAK-WBVHZDCISA-N 0 1 372.490 4.257 20 5 FIBDMN O=C(CN[C@H](c1ccccc1F)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000538226897 1104047045 /nfs/dbraw/zinc/04/70/45/1104047045.db2.gz ZZWITNZAERHVNP-FQEVSTJZSA-N 0 1 371.412 4.194 20 5 FIBDMN CC(C)c1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000441343364 1104301577 /nfs/dbraw/zinc/30/15/77/1104301577.db2.gz VZTGHFLAFVRMNX-NRFANRHFSA-N 0 1 354.450 4.032 20 5 FIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H](CCO)c2ccco2)s1 ZINC000184515052 1104612137 /nfs/dbraw/zinc/61/21/37/1104612137.db2.gz OIOYLYHTSPZJFO-OAHLLOKOSA-N 0 1 358.419 4.130 20 5 FIBDMN COc1cc(CNCc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000507914816 1105264960 /nfs/dbraw/zinc/26/49/60/1105264960.db2.gz QPBVOSGUODDJAL-UHFFFAOYSA-N 0 1 356.422 4.215 20 5 FIBDMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107184 1106925805 /nfs/dbraw/zinc/92/58/05/1106925805.db2.gz YNEAYCQESTTXSV-STQMWFEESA-N 0 1 361.829 4.234 20 5 FIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1cccc(C2CC2)c1 ZINC000451112284 1106926704 /nfs/dbraw/zinc/92/67/04/1106926704.db2.gz IFPOZQSBFMENAU-CQSZACIVSA-N 0 1 353.422 4.070 20 5 FIBDMN Cc1cc(C)c(NC(=O)[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000451102570 1106933430 /nfs/dbraw/zinc/93/34/30/1106933430.db2.gz DKRHQJNRUZMVHT-HOTGVXAUSA-N 0 1 355.438 4.198 20 5 FIBDMN Cc1cc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000451165217 1106955489 /nfs/dbraw/zinc/95/54/89/1106955489.db2.gz USLZTDNAMQRYKR-ZIAGYGMSSA-N 0 1 359.401 4.029 20 5 FIBDMN Cc1ccc2nc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[nH]c2c1 ZINC000530616625 1107199463 /nfs/dbraw/zinc/19/94/63/1107199463.db2.gz RZAICSBOXSTFJQ-UHFFFAOYSA-N 0 1 350.300 4.410 20 5 FIBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000530727602 1107290453 /nfs/dbraw/zinc/29/04/53/1107290453.db2.gz BLGOABTVCCMEMM-STQMWFEESA-N 0 1 361.829 4.234 20 5 FIBDMN Cc1ccc([C@@H](C)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000530727609 1107291353 /nfs/dbraw/zinc/29/13/53/1107291353.db2.gz CIVBAWIISXAZPO-CXAGYDPISA-N 0 1 373.840 4.013 20 5 FIBDMN Cc1ccc([C@@H](C)N[C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000530965259 1107427728 /nfs/dbraw/zinc/42/77/28/1107427728.db2.gz KMAPEOGGHPZZEO-CJNGLKHVSA-N 0 1 373.840 4.013 20 5 FIBDMN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2ccncc2)cc1 ZINC000444684571 1108087360 /nfs/dbraw/zinc/08/73/60/1108087360.db2.gz NBYWKLZCQXJGTF-AWEZNQCLSA-N 0 1 373.416 4.384 20 5 FIBDMN Cc1cc(C)cc([C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)c1 ZINC000444684698 1108087518 /nfs/dbraw/zinc/08/75/18/1108087518.db2.gz LEXGGGXGAWEPFT-HNNXBMFYSA-N 0 1 350.422 4.077 20 5 FIBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000520245027 1108191546 /nfs/dbraw/zinc/19/15/46/1108191546.db2.gz GWEZTOZOHSOUEX-KRWDZBQOSA-N 0 1 360.845 4.201 20 5 FIBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000523451606 1108213450 /nfs/dbraw/zinc/21/34/50/1108213450.db2.gz LJADJUASULHGJA-PBHICJAKSA-N 0 1 356.397 4.390 20 5 FIBDMN C[C@H](N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000453279427 1108355643 /nfs/dbraw/zinc/35/56/43/1108355643.db2.gz IUVCYMNBXQDFDT-SJCJKPOMSA-N 0 1 368.355 4.388 20 5 FIBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)c(F)c1 ZINC000453625745 1108651362 /nfs/dbraw/zinc/65/13/62/1108651362.db2.gz ZEBCZMBXHRYHTP-IBGZPJMESA-N 0 1 358.413 4.118 20 5 FIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCCc3c[nH]nc32)s1 ZINC000532210146 1108710907 /nfs/dbraw/zinc/71/09/07/1108710907.db2.gz BDHSWNYRVSSJII-HNNXBMFYSA-N 0 1 354.435 4.214 20 5 FIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCCc3c[nH]nc32)s1 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WWOMFOOVJILQTK-LBPRGKRZSA-N 0 1 362.813 4.260 20 5 FIBDMN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000728926618 1110169560 /nfs/dbraw/zinc/16/95/60/1110169560.db2.gz LUAFRLSQGYAGHT-UHFFFAOYSA-N 0 1 368.412 4.189 20 5 FIBDMN C[C@@H]1C[C@H]1c1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538355033 1111107803 /nfs/dbraw/zinc/10/78/03/1111107803.db2.gz DSSKZJDJXODFCQ-FZKQIMNGSA-N 0 1 366.421 4.002 20 5 FIBDMN C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 ZINC000538609432 1111219486 /nfs/dbraw/zinc/21/94/86/1111219486.db2.gz BMIYAHHGEUXLIC-KXQLTZBTSA-N 0 1 366.446 4.477 20 5 FIBDMN CCSc1ccc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000539302093 1111512450 /nfs/dbraw/zinc/51/24/50/1111512450.db2.gz ZVZCGFRSEWXLTL-AWEZNQCLSA-N 0 1 373.478 4.305 20 5 FIBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1c(F)cncc1F ZINC000552093315 1111572745 /nfs/dbraw/zinc/57/27/45/1111572745.db2.gz CNQODFRCJGHBRY-VXGBXAGGSA-N 0 1 367.421 4.490 20 5 FIBDMN Cc1ccc([C@H](C)NCc2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000553528706 1111995276 /nfs/dbraw/zinc/99/52/76/1111995276.db2.gz FONJVZUDTCPVEW-LBPRGKRZSA-N 0 1 362.813 4.179 20 5 FIBDMN Cc1c(CNCc2ccc(OCC(F)(F)F)c(F)c2)cccc1[N+](=O)[O-] ZINC000480471543 1112442391 /nfs/dbraw/zinc/44/23/91/1112442391.db2.gz OYFVFSNAQLPZKM-UHFFFAOYSA-N 0 1 372.318 4.273 20 5 FIBDMN Cc1c(CNCc2ccc(-c3ccncc3)cc2F)cccc1[N+](=O)[O-] ZINC000480485369 1112448693 /nfs/dbraw/zinc/44/86/93/1112448693.db2.gz CCHRSTWYGJKTIT-UHFFFAOYSA-N 0 1 351.381 4.394 20 5 FIBDMN Cc1oc(-c2ccccc2)nc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554847192 1112527541 /nfs/dbraw/zinc/52/75/41/1112527541.db2.gz SNSKCXDKKOCIDW-UHFFFAOYSA-N 0 1 351.406 4.233 20 5 FIBDMN COc1ccccc1O[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000554873671 1112539654 /nfs/dbraw/zinc/53/96/54/1112539654.db2.gz PDEDTLRHGODNGH-YOCVDRLZSA-N 0 1 368.433 4.160 20 5 FIBDMN O=[N+]([O-])c1cc(CNCc2ccnc3ccccc23)cc(C(F)(F)F)c1 ZINC000555518393 1112909280 /nfs/dbraw/zinc/90/92/80/1112909280.db2.gz XSCYDRGWGCOBMA-UHFFFAOYSA-N 0 1 361.323 4.452 20 5 FIBDMN Cc1ccc([C@@H](C)NCc2ccc(N3CCC(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000160483087 1113391410 /nfs/dbraw/zinc/39/14/10/1113391410.db2.gz NFHCIKMVDQRHRF-QGZVFWFLSA-N 0 1 368.481 4.385 20 5 FIBDMN C[C@H](N=c1ccc2cc([N+](=O)[O-])ccc2[nH]1)c1nc(C(F)(F)F)cs1 ZINC000486496220 1113582088 /nfs/dbraw/zinc/58/20/88/1113582088.db2.gz IEAGMOLCCRJZTG-QMMMGPOBSA-N 0 1 368.340 4.213 20 5 FIBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000486792114 1113646591 /nfs/dbraw/zinc/64/65/91/1113646591.db2.gz QXPGKTIJGBFPDZ-DTWKUNHWSA-N 0 1 357.336 4.418 20 5 FIBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)n[nH]1 ZINC000486795995 1113647063 /nfs/dbraw/zinc/64/70/63/1113647063.db2.gz INMPCSMNRCXNPK-RKDXNWHRSA-N 0 1 355.345 4.001 20 5 FIBDMN COc1ccc(CN[C@H](c2ccc(F)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000150874440 1114145685 /nfs/dbraw/zinc/14/56/85/1114145685.db2.gz FVKVIJMDELIEIA-SFHVURJKSA-N 0 1 350.365 4.369 20 5 FIBDMN COc1cc(CN2CCC[C@@H]2c2cccc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000490083614 1114216604 /nfs/dbraw/zinc/21/66/04/1114216604.db2.gz BDYCKLKVDCEEFC-GOSISDBHSA-N 0 1 355.438 4.007 20 5 FIBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000490301610 1114265018 /nfs/dbraw/zinc/26/50/18/1114265018.db2.gz QOBHWAUJPPBYJB-CYBMUJFWSA-N 0 1 362.376 4.477 20 5 FIBDMN CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000055152141 1114421771 /nfs/dbraw/zinc/42/17/71/1114421771.db2.gz RNSVBDKJOOHGKJ-GJZGRUSLSA-N 0 1 371.437 4.060 20 5 FIBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1Cl ZINC000056197415 1114658195 /nfs/dbraw/zinc/65/81/95/1114658195.db2.gz GQFYMTPSCQKMET-WDEREUQCSA-N 0 1 365.792 4.065 20 5 FIBDMN COC[C@@H](N=c1ccc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(Cl)c1 ZINC000588866657 1114661753 /nfs/dbraw/zinc/66/17/53/1114661753.db2.gz NRQAVDCTLVYYEG-QGZVFWFLSA-N 0 1 357.797 4.018 20 5 FIBDMN COc1ccc2c(c1)OCC[C@@H]2N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348043 1115068407 /nfs/dbraw/zinc/06/84/07/1115068407.db2.gz YCPMHGRILGSIQP-PMACEKPBSA-N 0 1 368.433 4.484 20 5 FIBDMN Cn1nc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000591348127 1115068424 /nfs/dbraw/zinc/06/84/24/1115068424.db2.gz TVCAETWPBOGHNE-GOSISDBHSA-N 0 1 350.422 4.039 20 5 FIBDMN COc1cccc2c1OCC[C@H]2N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000594518527 1115458483 /nfs/dbraw/zinc/45/84/83/1115458483.db2.gz HHQRMGZFQMDXFI-RTBURBONSA-N 0 1 368.433 4.484 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000595015892 1115503854 /nfs/dbraw/zinc/50/38/54/1115503854.db2.gz VKFJVSGFZPDYEL-DKICVRJWSA-N 0 1 356.422 4.032 20 5 FIBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000595003740 1115507519 /nfs/dbraw/zinc/50/75/19/1115507519.db2.gz LESCJLDGNYWGTE-CQSZACIVSA-N 0 1 371.437 4.049 20 5 FIBDMN COc1cc(C)c([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1OC 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ZPRGSCKLMVRMIX-GOSISDBHSA-N 0 1 356.422 4.387 20 5 FIBDMN O=C(Nc1cc(F)ccc1SCC(F)F)c1ccc([N+](=O)[O-])s1 ZINC000122723857 1121084034 /nfs/dbraw/zinc/08/40/34/1121084034.db2.gz SZQDTGMGDMIUGG-UHFFFAOYSA-N 0 1 362.354 4.405 20 5 FIBDMN CCc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000916149143 1121433230 /nfs/dbraw/zinc/43/32/30/1121433230.db2.gz TWEGNQOZUBOHLU-LBPRGKRZSA-N 0 1 361.829 4.100 20 5 FIBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCC(C(C)(C)C)CC1 ZINC000488085222 1121440140 /nfs/dbraw/zinc/44/01/40/1121440140.db2.gz SIHNALJMRGJRAP-UHFFFAOYSA-N 0 1 358.442 4.148 20 5 FIBDMN COc1cc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000553219866 1122023802 /nfs/dbraw/zinc/02/38/02/1122023802.db2.gz QHWIVOSYGWCQKS-GFCCVEGCSA-N 0 1 366.364 4.364 20 5 FIBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000301505546 1122193152 /nfs/dbraw/zinc/19/31/52/1122193152.db2.gz FNWQHQIDGLGMQW-SNVBAGLBSA-N 0 1 368.220 4.191 20 5 FIBDMN 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